A0A096NQP3_PAPAN Loading...

Protein-glutamine gamma-glutamyltransferase 4

AlphaFold DB , UniProt , Accession A0A096NQP3, Species PAPAN (Papio anubis, Olive baboon), Gene TGM4, Length 684 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.8	Very low	68.9	Low	246 Å²	246	100 Å²	100	100%	1.212	53%	0.527	S	S	*	.				0	110.5	0	-78.6	-175.9	-92	0	0	107.5
2	M	43.3	Very low	71	Confident	197 Å²	197	99.7 Å²	99.7	97%	0.97	53%	0.525	S	S	*	.			trans	-72.4	126.2	171.3	-82.7	178	177	0	0	108	A4	M2-A4 PolarHBondContact O-N 2.71Å
3	D	46.2	Very low	72.9	Confident	97 Å²	97	92.8 Å²	92.8	52%	0.519	49%	0.489	S	S	.	.			trans	-58.7	123	178.6	-175.8	-0.2	0	0	0	110.5	S5 K6	D3-S5 PolarHBondContact O-N 2.95Å; D3-S5 WeakPolarHBondContact OD1-CB 3.42Å; D3-S5 PolarHBondContact OD1-N 3.07Å; D3-S5 VanDerWaalsContact OD1-N 3.1Å; D3-S5 PolarHBondContact OD1-OG 3.1Å; D3-S5 PolarHBondContact OD2-OG 2.95Å; D3-K6 PolarHBondContact O-N 3.25Å
4	A	50.8	Low	74.6	Confident	85 Å²	85	89.5 Å²	89.5	70%	0.702	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-62	-12.7	179.4	0	0	0	0	0	112.9	M2 K6	M2-A4 PolarHBondContact O-N 2.71Å; A4-K6 VanDerWaalsContact C-N 3.29Å; A4-K6 PolarHBondContact O-N 2.87Å
5	S	52.8	Low	76	Confident	78 Å²	78	84.5 Å²	84.5	55%	0.545	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-72.8	-14.3	172.6	81.5	0	0	0	0	114.3	D3	D3-S5 PolarHBondContact O-N 2.95Å; D3-S5 WeakPolarHBondContact OD1-CB 3.42Å; D3-S5 PolarHBondContact OD1-N 3.07Å; D3-S5 VanDerWaalsContact OD1-N 3.1Å; D3-S5 PolarHBondContact OD1-OG 3.1Å; D3-S5 PolarHBondContact OD2-OG 2.95Å
6	K	66.7	Low	77.2	Confident	142 Å²	142	80.8 Å²	80.8	62%	0.617	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-98.5	-6.2	-176.2	-70.1	-173.4	176.6	-176.7	0	115.3	D3 A4 L8 Q50	D3-K6 PolarHBondContact O-N 3.25Å; A4-K6 VanDerWaalsContact C-N 3.29Å; A4-K6 PolarHBondContact O-N 2.87Å; K6-L8 PolarHBondContact O-N 2.93Å; K6-Q50 PolarHBondContact O-NE2 3.48Å
7	E	85.3	Confident	78.2	Confident	66 Å²	66	80.4 Å²	80.4	31%	0.308	42%	0.419	S	S	.	.			trans	-77.5	125.5	-176.9	-166.9	169.9	-155.5	0	0	111.5	K9 N49 Q50 K124	E7-K9 PolarHBondContact O-N 2.95Å; E7-N49 PolarHBondContact O-ND2 3.31Å; E7-Q50 PolarHBondContact O-NE2 2.95Å; E7-K124 VanDerWaalsContact OE1-CB 3.29Å; E7-K124 WeakPolarHBondContact OE1-CB 3.4Å; E7-K124 PolarHBondContact OE1-N 3.44Å
8	L	90.9	Very high	79	Confident	5 Å²	5	85.6 Å²	85.6	3%	0.026	44%	0.441	C	S	.	.			trans	-67.4	131.2	174.8	-174.1	72	0	0	0	110	K6 L48 Q50 L52 H56 T122	K6-L8 PolarHBondContact O-N 2.93Å; L8-L48 HydrophobicContact CD1-CB 4.15Å; L8-L48 HydrophobicContact CD1-CD1 4.16Å; L8-L48 HydrophobicContact CD1-CD2 4.48Å; L8-L48 HydrophobicContact CD1-CG 4.49Å; L8-Q50 HydrophobicContact CD1-CG 3.79Å; L8-L52 HydrophobicContact CD2-CD1 3.42Å; L8-L52 VanDerWaalsContact CD2-CD1 3.42Å; L8-H56 HydrophobicContact CB-CB 4.29Å; L8-H56 HydrophobicContact CD2-CB 3.71Å; L8-T122 HydrophobicContact CD2-CG2 3.73Å; L8-T122 HydrophobicContact CG-CG2 4.14Å; L8-T122 VanDerWaalsContact O-CB 3.31Å; L8-T122 WeakPolarHBondContact O-CB 3.31Å; L8-T122 PolarHBondContact O-OG1 2.73Å
9	K	93.3	Very high	79.8	Confident	80 Å²	80	88.1 Å²	88.1	35%	0.348	45%	0.451	S	S	.	.			trans	-129.4	134.2	175.4	-61.1	-179.4	-178.4	177.1	0	109.4	E7 L48 N49 H125	E7-K9 PolarHBondContact O-N 2.95Å; K9-L48 WeakPolarHBondContact O-CA 3.37Å; K9-N49 HydrophobicContact CB-CB 4.37Å; K9-N49 PolarHBondContact N-OD1 2.78Å; K9-N49 PolarHBondContact O-N 3.37Å; K9-N49 PolarHBondContact O-OD1 3.05Å; K9-H125 HydrophobicContact CG-CB 4.17Å
10	V	93.8	Very high	80.7	Confident	1 Å²	1	83.8 Å²	83.8	1%	0.006	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	125.2	164.9	-170.5	0	0	0	0	108	V13 L46 L48 L58 V120 T122 H125 L127	V10-V13 HydrophobicContact CG1-CG2 4.42Å; V10-L46 HydrophobicContact CG1-CB 4.3Å; V10-L46 HydrophobicContact CG1-CD2 4.14Å; V10-L48 HydrophobicContact CB-CD2 4.35Å; V10-L48 HydrophobicContact CG1-CD2 4.47Å; V10-L48 HydrophobicContact CG2-CD2 3.75Å; V10-L58 HydrophobicContact CG2-CD1 4.43Å; V10-V120 HydrophobicContact CB-CG1 4.38Å; V10-V120 HydrophobicContact CG2-CB 4.21Å; V10-V120 HydrophobicContact CG2-CG1 3.6Å; V10-T122 HydrophobicContact CG2-CG2 3.65Å; V10-H125 PolarHBondContact O-NE2 2.9Å; V10-L127 HydrophobicContact CB-CB 4.31Å; V10-L127 HydrophobicContact CB-CD2 4.05Å; V10-L127 HydrophobicContact CG1-CD2 3.66Å
11	L	93.7	Very high	81.5	Confident	103 Å²	103	80.3 Å²	80.3	54%	0.539	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-39.1	-179	-57.4	-179.4	0	0	0	111.4	V47 N49	L11-V47 PolarHBondContact N-O 2.75Å; L11-N49 HydrophobicContact CD1-CB 4.27Å; L11-N49 HydrophobicContact CD2-CB 4.35Å; L11-N49 HydrophobicContact CG-CB 4.4Å
12	L	94.5	Very high	84.1	Confident	96 Å²	96	73.1 Å²	73.1	50%	0.503	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	146.7	-177.9	-178.9	68.2	0	0	0	110.7	V47	L12-V47 HydrophobicContact CB-CB 4Å; L12-V47 HydrophobicContact CB-CG2 4.07Å; L12-V47 HydrophobicContact CD2-CG2 4.23Å; L12-V47 PolarHBondContact N-O 2.71Å; L12-V47 PolarHBondContact O-N 2.67Å
13	V	96.1	Very high	86.7	Confident	10 Å²	10	66 Å²	66	6%	0.061	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.8	164.9	-177.9	0	0	0	0	108.1	V10 F15 L44 L46 L118 V120 L127	V10-V13 HydrophobicContact CG1-CG2 4.42Å; V13-F15 HydrophobicContact CG1-CD2 4.47Å; V13-F15 HydrophobicContact CG1-CE2 4.25Å; V13-F15 HydrophobicContact CG1-CZ 4.32Å; V13-L44 HydrophobicContact CG1-CD1 4.42Å; V13-L46 HydrophobicContact CB-CD2 4.49Å; V13-L46 HydrophobicContact CG1-CD2 4.33Å; V13-L46 HydrophobicContact CG2-CD2 3.87Å; V13-L118 HydrophobicContact CG1-CD2 3.99Å; V13-V120 HydrophobicContact CG2-CG2 3.73Å; V13-L127 HydrophobicContact CG2-CD2 3.86Å
14	D	95.7	Very high	89.2	Confident	47 Å²	47	61.4 Å²	61.4	25%	0.251	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	117.6	171.3	176.5	3.7	0	0	0	108.9	L16 L44 R45	D14-L16 PolarHBondContact O-N 3.48Å; D14-L16 PolarHBondContact OD1-N 2.96Å; D14-L44 CarbonylContact O-C 3.56Å; D14-L44 VanDerWaalsContact O-CA 3.31Å; D14-L44 WeakPolarHBondContact O-CA 3.25Å; D14-R45 HydrophobicContact CB-CB 4.27Å; D14-R45 PolarHBondContact N-O 3.22Å; D14-R45 PolarHBondContact O-N 3.07Å; D14-R45 IonicContact OD2-CZ 2.75Å; D14-R45 IonicContact OD2-NE 2.71Å; D14-R45 PolarHBondContact OD2-NE 2.75Å; D14-R45 IonicContact OD2-NH2 3.02Å; D14-R45 PolarHBondContact OD2-NH2 3.15Å
15	F	95.9	Very high	91.4	Very high	15 Å²	15	59.7 Å²	59.7	7%	0.066	31%	0.305	C	S	.	.			trans	-77.8	6.1	-179.6	-75.4	-78	0	0	0	114.1	V13 K17 N20 P34 F36 H43 L44 L118 L134	V13-F15 HydrophobicContact CG1-CD2 4.47Å; V13-F15 HydrophobicContact CG1-CE2 4.25Å; V13-F15 HydrophobicContact CG1-CZ 4.32Å; F15-K17 PolarHBondContact O-N 2.89Å; F15-K17 VanDerWaalsContact O-N 3.08Å; F15-N20 PolarHBondContact O-ND2 3.33Å; F15-P34 HydrophobicContact CB-CB 3.94Å; F15-P34 HydrophobicContact CB-CG 3.9Å; F15-P34 HydrophobicContact CD1-CG 4.16Å; F15-P34 HydrophobicContact CD2-CG 3.74Å; F15-P34 HydrophobicContact CE2-CG 4.23Å; F15-P34 HydrophobicContact CG-CB 4.23Å; F15-P34 HydrophobicContact CG-CG 3.68Å; F15-F36 HydrophobicContact CB-CZ 4.28Å; F15-F36 HydrophobicContact CD1-CE2 4.02Å; F15-F36 HydrophobicContact CD1-CZ 4.21Å; F15-H43 CarbonylContact C-O 3.57Å; F15-L44 HydrophobicContact CD1-CB 4.4Å; F15-L118 HydrophobicContact CE1-CD2 3.87Å; F15-L118 HydrophobicContact CZ-CB 4.23Å; F15-L118 HydrophobicContact CZ-CD2 3.77Å; F15-L134 HydrophobicContact CE1-CB 4.43Å; F15-L134 HydrophobicContact CE1-CD2 3.82Å; F15-L134 HydrophobicContact CZ-CD2 4.41Å
16	L	95.8	Very high	93.6	Very high	24 Å²	24	56.3 Å²	56.3	13%	0.126	28%	0.28	C	S	.	.			trans	48	44.8	-179.4	-57.3	177.7	0	0	0	111.1	D14 Q18 E19 N20 H43 R45 T102	D14-L16 PolarHBondContact O-N 3.48Å; D14-L16 PolarHBondContact OD1-N 2.96Å; L16-Q18 VanDerWaalsContact C-N 3.28Å; L16-Q18 PolarHBondContact O-N 2.92Å; L16-Q18 VanDerWaalsContact O-N 3.13Å; L16-E19 PolarHBondContact O-N 3.22Å; L16-E19 VanDerWaalsContact O-N 3.16Å; L16-N20 PolarHBondContact O-N 2.92Å; L16-N20 VanDerWaalsContact O-N 3.11Å; L16-N20 PolarHBondContact O-ND2 2.96Å; L16-H43 HydrophobicContact CD1-CB 3.82Å; L16-R45 HydrophobicContact CD1-CB 4.43Å; L16-R45 HydrophobicContact CD2-CB 4.17Å; L16-R45 HydrophobicContact CG-CB 4.34Å; L16-T102 HydrophobicContact CD1-CG2 4.4Å
17	K	93.8	Very high	95	Very high	75 Å²	75	55.5 Å²	55.5	33%	0.326	27%	0.274	S	S	.	.	H	α-helix	trans	-55.1	-41.5	-161.2	-179.2	-179.4	176.4	-175.2	0	112.8	F15 A21 T31 S32 N33 P34	F15-K17 PolarHBondContact O-N 2.89Å; F15-K17 VanDerWaalsContact O-N 3.08Å; K17-A21 WeakPolarHBondContact O-CB 3.42Å; K17-A21 PolarHBondContact O-N 3.37Å; K17-T31 PolarHBondContact NZ-O 2.83Å; K17-S32 PolarHBondContact NZ-O 2.88Å; K17-N33 WeakPolarHBondContact CE-O 3.49Å; K17-N33 PolarHBondContact NZ-O 3.16Å; K17-P34 HydrophobicContact CG-CB 4.32Å
18	Q	93.2	Very high	95.5	Very high	173 Å²	173	55.9 Å²	55.9	81%	0.808	28%	0.275	S	S	*	.	H	α-helix	trans	-66	-45.9	-176.8	-66.3	-179	0.5	0	0	112	L16 A21 V22	L16-Q18 VanDerWaalsContact C-N 3.28Å; L16-Q18 PolarHBondContact O-N 2.92Å; L16-Q18 VanDerWaalsContact O-N 3.13Å; Q18-A21 PolarHBondContact O-N 3.04Å; Q18-V22 PolarHBondContact O-N 3.49Å
19	E	93.9	Very high	95.8	Very high	134 Å²	134	56.4 Å²	56.4	63%	0.626	28%	0.277	S	S	*	.	H	α-helix	trans	-67.1	-48.8	-178.4	-66.2	167.9	-174.5	0	0	111	L16 A21 V22 S23	L16-E19 PolarHBondContact O-N 3.22Å; L16-E19 VanDerWaalsContact O-N 3.16Å; E19-A21 VanDerWaalsContact C-N 3.31Å; E19-A21 PolarHBondContact O-N 3.49Å; E19-V22 PolarHBondContact O-N 3.06Å; E19-S23 PolarHBondContact O-N 3.27Å
20	N	97.8	Very high	95.9	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.011	28%	0.28	C	S	.	.	H	α-helix	trans	-66	-33.7	178.3	-71	-46.2	0	0	0	112.2	F15 L16 V22 S23 H24 F36 F42 H43	F15-N20 PolarHBondContact O-ND2 3.33Å; L16-N20 PolarHBondContact O-N 2.92Å; L16-N20 VanDerWaalsContact O-N 3.11Å; L16-N20 PolarHBondContact O-ND2 2.96Å; N20-V22 PolarHBondContact O-N 2.7Å; N20-S23 PolarHBondContact O-N 3.17Å; N20-S23 PolarHBondContact O-OG 2.83Å; N20-S23 VanDerWaalsContact O-OG 3.05Å; N20-H24 WeakPolarHBondContact O-CB 3.4Å; N20-H24 PolarHBondContact O-CD2 2.79Å; N20-H24 VanDerWaalsContact O-CD2 3.22Å; N20-H24 PolarHBondContact O-N 2.93Å; N20-F36 HydrophobicContact CB-CD1 4.11Å; N20-F36 HydrophobicContact CB-CE1 3.47Å; N20-F36 VanDerWaalsContact CB-CE1 3.47Å; N20-F36 HydrophobicContact CB-CZ 4.38Å; N20-F42 WeakPolarHBondContact OD1-CA 3.24Å; N20-H43 PolarHBondContact ND2-N 2.77Å; N20-H43 PolarHBondContact ND2-O 2.93Å; N20-H43 PolarHBondContact OD1-N 3.5Å; N20-H43 PolarHBondContact OD1-ND1 3.39Å
21	A	97.1	Very high	95.8	Very high	11 Å²	11	57.3 Å²	57.3	9%	0.091	28%	0.284	C	S	.	.	H	α-helix	trans	-65.6	-30.2	-179.7	0	0	0	0	0	112.9	K17 Q18 E19 H25 T26 W27	K17-A21 WeakPolarHBondContact O-CB 3.42Å; K17-A21 PolarHBondContact O-N 3.37Å; Q18-A21 PolarHBondContact O-N 3.04Å; E19-A21 VanDerWaalsContact C-N 3.31Å; E19-A21 PolarHBondContact O-N 3.49Å; A21-H25 PolarHBondContact O-N 2.72Å; A21-T26 WeakPolarHBondContact CA-OG1 3.14Å; A21-T26 PolarHBondContact O-N 3.48Å; A21-W27 HydrophobicContact CB-CB 4.14Å; A21-W27 PolarHBondContact O-N 3.04Å
22	V	96.6	Very high	95.7	Very high	94 Å²	94	57.1 Å²	57.1	57%	0.57	29%	0.291	S	S	*	.	H	α-helix	trans	-67.4	-51.8	173.5	176.1	0	0	0	0	110.4	Q18 E19 N20 H24 H25	Q18-V22 PolarHBondContact O-N 3.49Å; E19-V22 PolarHBondContact O-N 3.06Å; N20-V22 PolarHBondContact O-N 2.7Å; V22-H24 VanDerWaalsContact C-N 3.33Å; V22-H24 PolarHBondContact O-N 3.17Å; V22-H25 PolarHBondContact O-N 3.1Å
23	S	96.6	Very high	95.7	Very high	49 Å²	49	53.8 Å²	53.8	34%	0.343	27%	0.274	S	S	.	.	H	α-helix	trans	-66.9	-33	-177.4	64.4	0	0	0	0	113	E19 N20 Q40	E19-S23 PolarHBondContact O-N 3.27Å; N20-S23 PolarHBondContact O-N 3.17Å; N20-S23 PolarHBondContact O-OG 2.83Å; N20-S23 VanDerWaalsContact O-OG 3.05Å; S23-Q40 PolarHBondContact O-NE2 2.98Å
24	H	98.4	Very high	95.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-0.6	179.1	-77.3	-90.7	0	0	0	114.3	N20 V22 T26 R37 V41 F42	N20-H24 WeakPolarHBondContact O-CB 3.4Å; N20-H24 PolarHBondContact O-CD2 2.79Å; N20-H24 VanDerWaalsContact O-CD2 3.22Å; N20-H24 PolarHBondContact O-N 2.93Å; V22-H24 VanDerWaalsContact C-N 3.33Å; V22-H24 PolarHBondContact O-N 3.17Å; H24-T26 HydrophobicContact CB-CG2 4.21Å; H24-R37 PolarHBondContact ND1-N 3.33Å; H24-R37 VanDerWaalsContact ND1-N 3.1Å; H24-R37 WeakPolarHBondContact O-CD 3.26Å; H24-R37 PolarHBondContact O-NE 2.83Å; H24-V41 PolarHBondContact NE2-O 2.88Å; H24-F42 WeakPolarHBondContact NE2-CB 3.47Å
25	H	98.3	Very high	95.9	Very high	49 Å²	49	51.8 Å²	51.8	23%	0.227	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	50	-175.7	-47	-80	0	0	0	113.4	A21 V22 W27 R37 W141 L160	A21-H25 PolarHBondContact O-N 2.72Å; V22-H25 PolarHBondContact O-N 3.1Å; H25-W27 VanDerWaalsContact CA-CZ3 3.46Å; H25-W27 HydrophobicContact CB-CZ3 3.92Å; H25-W27 AromaticContact ND1-CZ3 3.64Å; H25-R37 PolarHBondContact O-NH2 3.35Å; H25-W141 HydrophobicContact CB-CH2 3.88Å; H25-W141 HydrophobicContact CB-CZ2 3.98Å; H25-W141 HydrophobicContact CB-CZ3 4.18Å; H25-W141 AromaticContact CD2-CD1 3.64Å; H25-W141 AromaticContact CD2-CD2 3.51Å; H25-W141 AromaticContact CD2-CE2 3.38Å; H25-W141 AromaticContact CD2-CG 3.8Å; H25-W141 AromaticContact CD2-CZ2 3.88Å; H25-W141 AromaticContact CD2-NE1 3.5Å; H25-W141 AromaticContact CE1-NE1 3.8Å; H25-W141 AromaticContact CG-CE2 3.78Å; H25-W141 AromaticContact CG-CZ2 3.79Å; H25-W141 AromaticContact NE2-CD1 3.33Å; H25-W141 VanDerWaalsContact NE2-CD1 3.33Å; H25-W141 AromaticContact NE2-CE2 3.72Å; H25-W141 AromaticContact NE2-CG 3.93Å; H25-W141 AromaticContact NE2-NE1 3.3Å; H25-W141 PolarHBondContact NE2-NE1 2.99Å; H25-L160 HydrophobicContact CB-CD2 4.31Å
26	T	98.3	Very high	96	Very high	6 Å²	6	51.1 Å²	51.1	4%	0.037	26%	0.261	C	S	.	.			trans	-131.9	9.2	-177.2	56.4	0	0	0	0	113.5	A21 H24 E28 F29 V35 R37	A21-T26 WeakPolarHBondContact CA-OG1 3.14Å; A21-T26 PolarHBondContact O-N 3.48Å; H24-T26 HydrophobicContact CB-CG2 4.21Å; T26-E28 PolarHBondContact O-N 3.02Å; T26-F29 HydrophobicContact CG2-CD2 4.21Å; T26-F29 HydrophobicContact CG2-CE2 4.11Å; T26-F29 PolarHBondContact O-N 2.8Å; T26-V35 WeakPolarHBondContact CB-O 3.44Å; T26-V35 HydrophobicContact CG2-CB 4.14Å; T26-V35 HydrophobicContact CG2-CG1 3.78Å; T26-V35 PolarHBondContact OG1-O 2.85Å; T26-R37 HydrophobicContact CG2-CG 4.29Å
27	W	95.9	Very high	96.1	Very high	126 Å²	126	50 Å²	50	48%	0.477	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.6	-176.3	69.2	84.5	0	0	0	114.7	A21 H25	A21-W27 HydrophobicContact CB-CB 4.14Å; A21-W27 PolarHBondContact O-N 3.04Å; H25-W27 VanDerWaalsContact CA-CZ3 3.46Å; H25-W27 HydrophobicContact CB-CZ3 3.92Å; H25-W27 AromaticContact ND1-CZ3 3.64Å
28	E	95.1	Very high	96.3	Very high	73 Å²	73	46.4 Å²	46.4	34%	0.341	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-21.6	-178.5	-60.6	-155.3	-147	0	0	113.4	T26 Q30 F184	T26-E28 PolarHBondContact O-N 3.02Å; E28-Q30 PolarHBondContact O-N 3.24Å; E28-F184 HydrophobicContact CB-CB 3.89Å; E28-F184 HydrophobicContact CB-CD1 3.93Å; E28-F184 HydrophobicContact CB-CD2 3.84Å; E28-F184 HydrophobicContact CB-CE1 4.47Å; E28-F184 HydrophobicContact CB-CE2 4.39Å; E28-F184 HydrophobicContact CB-CG 3.6Å
29	F	97.3	Very high	96.6	Very high	16 Å²	16	39.1 Å²	39.1	7%	0.07	21%	0.211	C	C	.	.			trans	-61.5	120.4	-177	-77.4	-70.8	0	0	0	111.9	T26 T31 V35 L137 Q183 F184 L189	T26-F29 HydrophobicContact CG2-CD2 4.21Å; T26-F29 HydrophobicContact CG2-CE2 4.11Å; T26-F29 PolarHBondContact O-N 2.8Å; F29-T31 VanDerWaalsContact C-N 3.25Å; F29-T31 HydrophobicContact CB-CG2 4.17Å; F29-T31 PolarHBondContact O-N 2.84Å; F29-V35 HydrophobicContact CB-CG2 4.42Å; F29-V35 HydrophobicContact CD2-CB 4.44Å; F29-V35 HydrophobicContact CD2-CG1 4.08Å; F29-V35 HydrophobicContact CE2-CG1 4.18Å; F29-L137 HydrophobicContact CE2-CD1 3.94Å; F29-L137 HydrophobicContact CZ-CD1 4.03Å; F29-Q183 WeakPolarHBondContact CE1-O 3.34Å; F29-F184 AromaticContact CD1-CD1 3.64Å; F29-F184 HydrophobicContact CD1-CD1 3.64Å; F29-F184 HydrophobicContact CD1-CE1 4.37Å; F29-F184 HydrophobicContact CD2-CD1 4Å; F29-F184 HydrophobicContact CD2-CE1 4.19Å; F29-F184 AromaticContact CE1-CD1 3.62Å; F29-F184 HydrophobicContact CE1-CD1 3.62Å; F29-F184 AromaticContact CE1-CE1 3.99Å; F29-F184 HydrophobicContact CE1-CE1 3.99Å; F29-F184 AromaticContact CE2-CD1 3.99Å; F29-F184 HydrophobicContact CE2-CD1 3.99Å; F29-F184 AromaticContact CE2-CE1 3.8Å; F29-F184 HydrophobicContact CE2-CE1 3.8Å; F29-F184 AromaticContact CG-CD1 3.84Å; F29-F184 HydrophobicContact CG-CD1 3.84Å; F29-F184 HydrophobicContact CG-CE1 4.47Å; F29-F184 AromaticContact CZ-CD1 3.81Å; F29-F184 HydrophobicContact CZ-CD1 3.81Å; F29-F184 AromaticContact CZ-CE1 3.69Å; F29-F184 HydrophobicContact CZ-CE1 3.69Å; F29-L189 HydrophobicContact CB-CD2 4.49Å; F29-L189 HydrophobicContact CD1-CB 3.83Å; F29-L189 HydrophobicContact CD1-CD2 3.65Å; F29-L189 HydrophobicContact CD1-CG 4.23Å; F29-L189 HydrophobicContact CD2-CD2 4.37Å; F29-L189 HydrophobicContact CE1-CB 3.94Å; F29-L189 HydrophobicContact CE1-CD1 4.07Å; F29-L189 HydrophobicContact CE1-CD2 3.84Å; F29-L189 HydrophobicContact CE1-CG 4.17Å; F29-L189 HydrophobicContact CG-CD2 3.94Å; F29-L189 HydrophobicContact CZ-CD1 4.42Å; F29-L189 HydrophobicContact CZ-CD2 4.27Å
30	Q	95.3	Very high	96.7	Very high	84 Å²	84	34.9 Å²	34.9	39%	0.393	19%	0.191	S	C	.	.			trans	-83.7	66.1	175.6	-62.6	-171.2	8.1	0	0	111.9	E28 F184 K186	E28-Q30 PolarHBondContact O-N 3.24Å; Q30-F184 WeakPolarHBondContact CB-O 3.31Å; Q30-F184 WeakPolarHBondContact CG-O 3.44Å; Q30-F184 PolarHBondContact N-O 2.87Å; Q30-K186 HydrophobicContact CB-CB 4.17Å
31	T	93.1	Very high	96.7	Very high	16 Å²	16	37.5 Å²	37.5	10%	0.098	21%	0.207	C	C	.	.			trans	-129.1	154	173.9	-177.6	0	0	0	0	110.3	K17 F29 N33 V35 L189 D190	K17-T31 PolarHBondContact NZ-O 2.83Å; F29-T31 VanDerWaalsContact C-N 3.25Å; F29-T31 HydrophobicContact CB-CG2 4.17Å; F29-T31 PolarHBondContact O-N 2.84Å; T31-N33 WeakPolarHBondContact CG2-O 3.48Å; T31-N33 PolarHBondContact OG1-N 3.01Å; T31-V35 HydrophobicContact CG2-CG2 3.57Å; T31-L189 HydrophobicContact CG2-CD2 4.36Å; T31-D190 PolarHBondContact OG1-OD1 3.22Å
32	S	90.9	Very high	96.8	Very high	99 Å²	99	37 Å²	37	69%	0.692	20%	0.202	S	C	*	.	S	Bend	trans	-74.1	-31.3	173.5	52.8	0	0	0	0	111.8	K17	K17-S32 PolarHBondContact NZ-O 2.88Å
33	N	94.6	Very high	96.8	Very high	26 Å²	26	34.7 Å²	34.7	14%	0.139	19%	0.185	C	C	.	.	S	Bend	trans	-71.4	145.8	-177.7	-60.1	-56.2	0	0	0	111.7	K17 T31 Y135	K17-N33 WeakPolarHBondContact CE-O 3.49Å; K17-N33 PolarHBondContact NZ-O 3.16Å; T31-N33 WeakPolarHBondContact CG2-O 3.48Å; T31-N33 PolarHBondContact OG1-N 3.01Å; N33-Y135 HydrophobicContact CB-CD2 4.3Å; N33-Y135 HydrophobicContact CB-CE2 4.12Å; N33-Y135 PolarHBondContact ND2-OH 3.48Å
34	P	96.8	Very high	96.8	Very high	9 Å²	9	32.3 Å²	32.3	6%	0.058	17%	0.169	C	C	.	.			trans	-64.2	139.9	165.8	27.5	-34.5	0	0	0	110.8	F15 K17 F36 I133 L134 Y135	F15-P34 HydrophobicContact CB-CB 3.94Å; F15-P34 HydrophobicContact CB-CG 3.9Å; F15-P34 HydrophobicContact CD1-CG 4.16Å; F15-P34 HydrophobicContact CD2-CG 3.74Å; F15-P34 HydrophobicContact CE2-CG 4.23Å; F15-P34 HydrophobicContact CG-CB 4.23Å; F15-P34 HydrophobicContact CG-CG 3.68Å; K17-P34 HydrophobicContact CG-CB 4.32Å; P34-F36 HydrophobicContact CB-CE1 4.13Å; P34-F36 HydrophobicContact CB-CE2 3.98Å; P34-F36 HydrophobicContact CB-CZ 3.6Å; P34-F36 HydrophobicContact CG-CE2 4.44Å; P34-F36 HydrophobicContact CG-CZ 4.43Å; P34-I133 WeakPolarHBondContact CD-O 3.48Å; P34-I133 VanDerWaalsContact CG-O 3.25Å; P34-I133 WeakPolarHBondContact CG-O 3.43Å; P34-L134 HydrophobicContact CG-CB 3.83Å; P34-L134 WeakPolarHBondContact O-CA 3.41Å; P34-Y135 PolarHBondContact O-N 3.35Å
35	V	98.5	Very high	96.7	Very high	7 Å²	7	36 Å²	36	4%	0.042	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	120.6	-178.3	-172.1	0	0	0	0	108.5	T26 F29 T31 Y135 L137 L189	T26-V35 WeakPolarHBondContact CB-O 3.44Å; T26-V35 HydrophobicContact CG2-CB 4.14Å; T26-V35 HydrophobicContact CG2-CG1 3.78Å; T26-V35 PolarHBondContact OG1-O 2.85Å; F29-V35 HydrophobicContact CB-CG2 4.42Å; F29-V35 HydrophobicContact CD2-CB 4.44Å; F29-V35 HydrophobicContact CD2-CG1 4.08Å; F29-V35 HydrophobicContact CE2-CG1 4.18Å; T31-V35 HydrophobicContact CG2-CG2 3.57Å; V35-Y135 HydrophobicContact CG2-CD2 4.23Å; V35-L137 HydrophobicContact CG1-CD1 3.42Å; V35-L137 VanDerWaalsContact CG1-CD1 3.42Å; V35-L137 HydrophobicContact CG1-CG 3.85Å; V35-L189 HydrophobicContact CB-CD2 4.49Å; V35-L189 HydrophobicContact CG1-CD2 3.92Å; V35-L189 HydrophobicContact CG2-CD2 3.68Å
36	F	98.6	Very high	96.6	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	163.5	-179.2	-52.6	-47.4	0	0	0	110.5	F15 N20 P34 F42 L134 Y135 L136 L137	F15-F36 HydrophobicContact CB-CZ 4.28Å; F15-F36 HydrophobicContact CD1-CE2 4.02Å; F15-F36 HydrophobicContact CD1-CZ 4.21Å; N20-F36 HydrophobicContact CB-CD1 4.11Å; N20-F36 HydrophobicContact CB-CE1 3.47Å; N20-F36 VanDerWaalsContact CB-CE1 3.47Å; N20-F36 HydrophobicContact CB-CZ 4.38Å; P34-F36 HydrophobicContact CB-CE1 4.13Å; P34-F36 HydrophobicContact CB-CE2 3.98Å; P34-F36 HydrophobicContact CB-CZ 3.6Å; P34-F36 HydrophobicContact CG-CE2 4.44Å; P34-F36 HydrophobicContact CG-CZ 4.43Å; F36-F42 HydrophobicContact CB-CD1 4.41Å; F36-F42 HydrophobicContact CD1-CB 3.94Å; F36-F42 HydrophobicContact CD1-CG 4.35Å; F36-F42 HydrophobicContact CD2-CB 4.26Å; F36-F42 AromaticContact CD2-CD1 3.99Å; F36-F42 HydrophobicContact CD2-CD1 3.99Å; F36-F42 AromaticContact CD2-CD2 3.86Å; F36-F42 HydrophobicContact CD2-CD2 3.86Å; F36-F42 HydrophobicContact CD2-CE1 4.27Å; F36-F42 HydrophobicContact CD2-CE2 4.13Å; F36-F42 AromaticContact CD2-CG 3.78Å; F36-F42 HydrophobicContact CD2-CG 3.78Å; F36-F42 HydrophobicContact CD2-CZ 4.33Å; F36-F42 HydrophobicContact CE1-CB 4.01Å; F36-F42 HydrophobicContact CE1-CG 4.46Å; F36-F42 HydrophobicContact CE2-CB 4.3Å; F36-F42 HydrophobicContact CE2-CD1 4.5Å; F36-F42 AromaticContact CE2-CD2 3.53Å; F36-F42 HydrophobicContact CE2-CD2 3.53Å; F36-F42 AromaticContact CE2-CE2 3.88Å; F36-F42 HydrophobicContact CE2-CE2 3.88Å; F36-F42 AromaticContact CE2-CG 3.87Å; F36-F42 HydrophobicContact CE2-CG 3.87Å; F36-F42 HydrophobicContact CG-CB 4.08Å; F36-F42 HydrophobicContact CG-CD1 4.18Å; F36-F42 HydrophobicContact CG-CG 4.02Å; F36-F42 HydrophobicContact CZ-CB 4.16Å; F36-F42 AromaticContact CZ-CD2 3.94Å; F36-F42 HydrophobicContact CZ-CD2 3.94Å; F36-F42 HydrophobicContact CZ-CG 4.2Å; F36-L134 HydrophobicContact CD2-CB 4.18Å; F36-L134 HydrophobicContact CD2-CD1 4.17Å; F36-L134 HydrophobicContact CD2-CD2 4.17Å; F36-L134 HydrophobicContact CD2-CG 4.41Å; F36-L134 HydrophobicContact CE2-CB 4.06Å; F36-L134 HydrophobicContact CE2-CD2 4.09Å; F36-Y135 PolarHBondContact N-O 2.84Å; F36-L136 HydrophobicContact CB-CD1 4.03Å; F36-L136 WeakPolarHBondContact O-CA 3.45Å; F36-L137 PolarHBondContact O-N 2.73Å
37	R	98.8	Very high	96.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	138.7	174.4	-58.5	-172.4	-176.4	-82.8	-2.1	109.4	H24 H25 T26 L137 C138 N139	H24-R37 PolarHBondContact ND1-N 3.33Å; H24-R37 VanDerWaalsContact ND1-N 3.1Å; H24-R37 WeakPolarHBondContact O-CD 3.26Å; H24-R37 PolarHBondContact O-NE 2.83Å; H25-R37 PolarHBondContact O-NH2 3.35Å; T26-R37 HydrophobicContact CG2-CG 4.29Å; R37-L137 WeakPolarHBondContact CA-O 3.33Å; R37-C138 PolarHBondContact NH1-O 3.03Å; R37-N139 HydrophobicContact CB-CB 3.69Å
38	R	98.4	Very high	96.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	157.5	-176.8	68.7	-171.2	-176.1	164.5	7	112.9	Q40 S107 P109 A111 L136 L137 N139 D145 T146 R207	R38-Q40 PolarHBondContact O-N 2.7Å; R38-S107 VanDerWaalsContact CA-OG 3.25Å; R38-S107 WeakPolarHBondContact CA-OG 3.33Å; R38-P109 WeakPolarHBondContact CD-O 3.15Å; R38-P109 WeakPolarHBondContact CG-O 3.47Å; R38-P109 PolarHBondContact NE-O 3.08Å; R38-A111 HydrophobicContact CB-CB 3.98Å; R38-A111 PolarHBondContact NH1-O 2.84Å; R38-A111 VanDerWaalsContact NH1-O 3.11Å; R38-L136 HydrophobicContact CB-CD1 4.36Å; R38-L136 HydrophobicContact CB-CD2 4.24Å; R38-L136 HydrophobicContact CB-CG 4.15Å; R38-L137 WeakPolarHBondContact CG-O 3.49Å; R38-L137 PolarHBondContact N-O 3.15Å; R38-N139 HydrophobicContact CG-CB 4.29Å; R38-N139 WeakPolarHBondContact O-CB 3.22Å; R38-N139 PolarHBondContact O-ND2 3.11Å; R38-D145 VanDerWaalsContact CG-OD2 3.29Å; R38-D145 WeakPolarHBondContact CG-OD2 3.38Å; R38-D145 IonicContact CZ-OD1 3.96Å; R38-D145 IonicContact CZ-OD2 3.24Å; R38-D145 IonicContact NE-OD1 3.89Å; R38-D145 IonicContact NE-OD2 3.89Å; R38-D145 PolarHBondContact NE-OD2 3.23Å; R38-D145 IonicContact NH2-OD1 2.73Å; R38-D145 PolarHBondContact NH2-OD1 3.49Å; R38-D145 IonicContact NH2-OD2 3.19Å; R38-T146 PolarHBondContact NH2-OG1 2.81Å; R38-R207 PolarHBondContact NH1-O 3.32Å
39	G	97.5	Very high	96.5	Very high	20 Å²	20	27.9 Å²	27.9	21%	0.206	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	3.1	178.5	0	0	0	0	0	115.5	S107	G39-S107 WeakPolarHBondContact CA-O 3.4Å; G39-S107 PolarHBondContact N-O 2.95Å; G39-S107 PolarHBondContact N-OG 2.87Å; G39-S107 VanDerWaalsContact N-OG 3.11Å
40	Q	97.8	Very high	96.3	Very high	44 Å²	44	29.1 Å²	29.1	21%	0.206	16%	0.16	C	C	.	.	S	Bend	trans	-125.5	146	180	-179.1	175.6	-4.1	0	0	110.7	S23 R38 N139	S23-Q40 PolarHBondContact O-NE2 2.98Å; R38-Q40 PolarHBondContact O-N 2.7Å; Q40-N139 WeakPolarHBondContact CB-ND2 3.39Å; Q40-N139 PolarHBondContact OE1-ND2 3.18Å
41	V	97.3	Very high	96.2	Very high	57 Å²	57	27.9 Å²	27.9	35%	0.345	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	130.6	-179.5	65	0	0	0	0	111.6	H24 A104 V105 T106	H24-V41 PolarHBondContact NE2-O 2.88Å; V41-A104 HydrophobicContact CG2-CB 3.8Å; V41-V105 WeakPolarHBondContact CA-O 3.31Å; V41-T106 WeakPolarHBondContact CB-OG1 3.5Å
42	F	97.9	Very high	96.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	154	165.3	62.2	-86.4	0	0	0	110.1	N20 H24 F36 L44 F62 V105 L134	N20-F42 WeakPolarHBondContact OD1-CA 3.24Å; H24-F42 WeakPolarHBondContact NE2-CB 3.47Å; F36-F42 HydrophobicContact CB-CD1 4.41Å; F36-F42 HydrophobicContact CD1-CB 3.94Å; F36-F42 HydrophobicContact CD1-CG 4.35Å; F36-F42 HydrophobicContact CD2-CB 4.26Å; F36-F42 AromaticContact CD2-CD1 3.99Å; F36-F42 HydrophobicContact CD2-CD1 3.99Å; F36-F42 AromaticContact CD2-CD2 3.86Å; F36-F42 HydrophobicContact CD2-CD2 3.86Å; F36-F42 HydrophobicContact CD2-CE1 4.27Å; F36-F42 HydrophobicContact CD2-CE2 4.13Å; F36-F42 AromaticContact CD2-CG 3.78Å; F36-F42 HydrophobicContact CD2-CG 3.78Å; F36-F42 HydrophobicContact CD2-CZ 4.33Å; F36-F42 HydrophobicContact CE1-CB 4.01Å; F36-F42 HydrophobicContact CE1-CG 4.46Å; F36-F42 HydrophobicContact CE2-CB 4.3Å; F36-F42 HydrophobicContact CE2-CD1 4.5Å; F36-F42 AromaticContact CE2-CD2 3.53Å; F36-F42 HydrophobicContact CE2-CD2 3.53Å; F36-F42 AromaticContact CE2-CE2 3.88Å; F36-F42 HydrophobicContact CE2-CE2 3.88Å; F36-F42 AromaticContact CE2-CG 3.87Å; F36-F42 HydrophobicContact CE2-CG 3.87Å; F36-F42 HydrophobicContact CG-CB 4.08Å; F36-F42 HydrophobicContact CG-CD1 4.18Å; F36-F42 HydrophobicContact CG-CG 4.02Å; F36-F42 HydrophobicContact CZ-CB 4.16Å; F36-F42 AromaticContact CZ-CD2 3.94Å; F36-F42 HydrophobicContact CZ-CD2 3.94Å; F36-F42 HydrophobicContact CZ-CG 4.2Å; F42-L44 HydrophobicContact CE2-CD2 4.23Å; F42-F62 HydrophobicContact CE2-CE1 4.43Å; F42-F62 HydrophobicContact CE2-CZ 4.4Å; F42-F62 HydrophobicContact CZ-CE1 4.13Å; F42-F62 HydrophobicContact CZ-CZ 4.14Å; F42-V105 HydrophobicContact CD1-CB 4.47Å; F42-V105 WeakPolarHBondContact CD1-O 2.98Å; F42-V105 HydrophobicContact CD2-CB 4.31Å; F42-V105 HydrophobicContact CE1-CB 3.98Å; F42-V105 HydrophobicContact CE1-CG1 3.84Å; F42-V105 HydrophobicContact CE2-CB 3.8Å; F42-V105 HydrophobicContact CE2-CG1 4.17Å; F42-V105 HydrophobicContact CE2-CG2 4.32Å; F42-V105 HydrophobicContact CZ-CB 3.63Å; F42-V105 HydrophobicContact CZ-CG1 3.51Å; F42-V105 HydrophobicContact CZ-CG2 4.47Å; F42-V105 PolarHBondContact N-O 2.8Å; F42-V105 PolarHBondContact O-N 3.16Å; F42-L134 HydrophobicContact CE2-CD2 4.33Å; F42-L134 HydrophobicContact CZ-CD2 4.26Å
43	H	97.4	Very high	96.2	Very high	46 Å²	46	27 Å²	27	21%	0.213	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	142	-177.8	-56.2	84.1	0	0	0	110.9	F15 L16 N20 Q94 T102 V103	F15-H43 CarbonylContact C-O 3.57Å; L16-H43 HydrophobicContact CD1-CB 3.82Å; N20-H43 PolarHBondContact ND2-N 2.77Å; N20-H43 PolarHBondContact ND2-O 2.93Å; N20-H43 PolarHBondContact OD1-N 3.5Å; N20-H43 PolarHBondContact OD1-ND1 3.39Å; H43-Q94 PolarHBondContact CD2-OE1 3.44Å; H43-Q94 PolarHBondContact NE2-NE2 3.33Å; H43-Q94 PolarHBondContact NE2-OE1 3.26Å; H43-T102 HydrophobicContact CB-CG2 4.29Å; H43-V103 WeakPolarHBondContact CA-O 3.42Å
44	L	96.1	Very high	95.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	142.9	168.4	64.1	90.9	0	0	0	109.8	V13 D14 F15 F42 L46 L60 F62 T102 V103 V105 L118	V13-L44 HydrophobicContact CG1-CD1 4.42Å; D14-L44 CarbonylContact O-C 3.56Å; D14-L44 VanDerWaalsContact O-CA 3.31Å; D14-L44 WeakPolarHBondContact O-CA 3.25Å; F15-L44 HydrophobicContact CD1-CB 4.4Å; F42-L44 HydrophobicContact CE2-CD2 4.23Å; L44-L46 HydrophobicContact CD1-CD1 4.43Å; L44-L46 HydrophobicContact CD1-CD2 3.42Å; L44-L46 VanDerWaalsContact CD1-CD2 3.42Å; L44-L46 HydrophobicContact CD1-CG 3.74Å; L44-L60 HydrophobicContact CD1-CD2 4.43Å; L44-L60 HydrophobicContact CD2-CD1 4.36Å; L44-F62 HydrophobicContact CD2-CZ 4.29Å; L44-T102 WeakPolarHBondContact O-CA 3.35Å; L44-V103 HydrophobicContact CD1-CB 4.11Å; L44-V103 HydrophobicContact CD1-CG2 4.27Å; L44-V103 HydrophobicContact CG-CB 4.29Å; L44-V103 PolarHBondContact N-O 2.85Å; L44-V103 PolarHBondContact O-N 3.08Å; L44-V105 HydrophobicContact CD2-CG2 3.91Å; L44-L118 HydrophobicContact CD2-CD2 4.04Å
45	R	97.1	Very high	95.4	Very high	77 Å²	77	38 Å²	38	29%	0.291	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.1	177.2	175.4	172.9	57.9	-178.6	-6.6	109.7	D14 L16 E100 V101	D14-R45 HydrophobicContact CB-CB 4.27Å; D14-R45 PolarHBondContact N-O 3.22Å; D14-R45 PolarHBondContact O-N 3.07Å; D14-R45 IonicContact OD2-CZ 2.75Å; D14-R45 IonicContact OD2-NE 2.71Å; D14-R45 PolarHBondContact OD2-NE 2.75Å; D14-R45 IonicContact OD2-NH2 3.02Å; D14-R45 PolarHBondContact OD2-NH2 3.15Å; L16-R45 HydrophobicContact CD1-CB 4.43Å; L16-R45 HydrophobicContact CD2-CB 4.17Å; L16-R45 HydrophobicContact CG-CB 4.34Å; R45-E100 WeakPolarHBondContact CD-OE2 3.28Å; R45-E100 IonicContact NH1-OE2 2.67Å; R45-E100 PolarHBondContact NH1-OE2 3.04Å; R45-V101 CarbonylContact C-O 3.53Å; R45-V101 WeakPolarHBondContact CA-O 3.31Å
46	L	96.4	Very high	95	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	123.5	174.8	-56.5	179.9	0	0	0	108.8	V10 V13 L44 L48 L58 L60 E100 V101 V103 V120	V10-L46 HydrophobicContact CG1-CB 4.3Å; V10-L46 HydrophobicContact CG1-CD2 4.14Å; V13-L46 HydrophobicContact CB-CD2 4.49Å; V13-L46 HydrophobicContact CG1-CD2 4.33Å; V13-L46 HydrophobicContact CG2-CD2 3.87Å; L44-L46 HydrophobicContact CD1-CD1 4.43Å; L44-L46 HydrophobicContact CD1-CD2 3.42Å; L44-L46 VanDerWaalsContact CD1-CD2 3.42Å; L44-L46 HydrophobicContact CD1-CG 3.74Å; L46-L48 HydrophobicContact CB-CD2 4.15Å; L46-L58 HydrophobicContact CD1-CD1 3.88Å; L46-L58 HydrophobicContact CD1-CD2 3.94Å; L46-L58 HydrophobicContact CD1-CG 4.46Å; L46-L60 HydrophobicContact CD1-CD2 4.47Å; L46-E100 WeakPolarHBondContact O-CA 3.25Å; L46-V101 PolarHBondContact N-O 3.42Å; L46-V101 PolarHBondContact O-N 3.13Å; L46-V103 HydrophobicContact CD1-CG2 3.96Å; L46-V103 HydrophobicContact CG-CG2 4.35Å; L46-V120 HydrophobicContact CD1-CG1 4.24Å; L46-V120 HydrophobicContact CD2-CG1 4.41Å; L46-V120 HydrophobicContact CD2-CG2 4.08Å
47	V	96.3	Very high	94.6	Very high	36 Å²	36	44.1 Å²	44.1	22%	0.218	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123	170.7	-174.5	0	0	0	0	108.4	L11 L12	L11-V47 PolarHBondContact N-O 2.75Å; L12-V47 HydrophobicContact CB-CB 4Å; L12-V47 HydrophobicContact CB-CG2 4.07Å; L12-V47 HydrophobicContact CD2-CG2 4.23Å; L12-V47 PolarHBondContact N-O 2.71Å; L12-V47 PolarHBondContact O-N 2.67Å
48	L	95.3	Very high	94.3	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	158.5	-172.2	-50.8	175.1	0	0	0	110.8	L8 K9 V10 L46 Q50 L52 K99 V101	L8-L48 HydrophobicContact CD1-CB 4.15Å; L8-L48 HydrophobicContact CD1-CD1 4.16Å; L8-L48 HydrophobicContact CD1-CD2 4.48Å; L8-L48 HydrophobicContact CD1-CG 4.49Å; K9-L48 WeakPolarHBondContact O-CA 3.37Å; V10-L48 HydrophobicContact CB-CD2 4.35Å; V10-L48 HydrophobicContact CG1-CD2 4.47Å; V10-L48 HydrophobicContact CG2-CD2 3.75Å; L46-L48 HydrophobicContact CB-CD2 4.15Å; L48-Q50 VanDerWaalsContact C-N 3.29Å; L48-Q50 VanDerWaalsContact CB-O 3.25Å; L48-Q50 WeakPolarHBondContact CB-O 3.26Å; L48-L52 HydrophobicContact CD1-CB 3.82Å; L48-L52 HydrophobicContact CD1-CD1 4.4Å; L48-K99 WeakPolarHBondContact CB-O 3.17Å; L48-K99 PolarHBondContact N-O 3.46Å; L48-K99 WeakPolarHBondContact O-CB 3.31Å; L48-V101 HydrophobicContact CD1-CB 4.35Å; L48-V101 HydrophobicContact CD1-CG2 3.59Å
49	N	94.8	Very high	94.1	Very high	45 Å²	45	48.2 Å²	48.2	24%	0.241	25%	0.245	C	C	.	.	S	Bend	trans	-71.7	-25	172.1	65.4	-32.6	0	0	0	113.2	E7 K9 L11 K99	E7-N49 PolarHBondContact O-ND2 3.31Å; K9-N49 HydrophobicContact CB-CB 4.37Å; K9-N49 PolarHBondContact N-OD1 2.78Å; K9-N49 PolarHBondContact O-N 3.37Å; K9-N49 PolarHBondContact O-OD1 3.05Å; L11-N49 HydrophobicContact CD1-CB 4.27Å; L11-N49 HydrophobicContact CD2-CB 4.35Å; L11-N49 HydrophobicContact CG-CB 4.4Å; N49-K99 WeakPolarHBondContact O-CD 3.49Å; N49-K99 VanDerWaalsContact O-CE 3.26Å; N49-K99 WeakPolarHBondContact O-CE 3.18Å; N49-K99 PolarHBondContact O-NZ 2.84Å
50	Q	93.5	Very high	94	Very high	42 Å²	42	47.2 Å²	47.2	20%	0.196	24%	0.236	C	C	.	.	S	Bend	trans	-150.1	162.8	-178.2	64	-176.9	-19.5	0	0	110.6	K6 E7 L8 L48	K6-Q50 PolarHBondContact O-NE2 3.48Å; E7-Q50 PolarHBondContact O-NE2 2.95Å; L8-Q50 HydrophobicContact CD1-CG 3.79Å; L48-Q50 VanDerWaalsContact C-N 3.29Å; L48-Q50 VanDerWaalsContact CB-O 3.25Å; L48-Q50 WeakPolarHBondContact CB-O 3.26Å
51	P	94.2	Very high	93.9	Very high	58 Å²	58	46.3 Å²	46.3	38%	0.377	23%	0.231	S	C	.	.			trans	-56.6	141.5	175.8	-25.6	35.5	0	0	0	113.3	G98	P51-G98 WeakPolarHBondContact CA-O 3.33Å; P51-G98 VanDerWaalsContact CB-O 3.24Å; P51-G98 WeakPolarHBondContact CB-O 3.49Å
52	L	92	Very high	93.8	Very high	12 Å²	12	43.6 Å²	43.6	6%	0.063	22%	0.215	C	C	.	.			trans	-67.8	135.9	177.5	-173.8	65.4	0	0	0	109.3	L8 L48 H56 L58 R81 L93 V101	L8-L52 HydrophobicContact CD2-CD1 3.42Å; L8-L52 VanDerWaalsContact CD2-CD1 3.42Å; L48-L52 HydrophobicContact CD1-CB 3.82Å; L48-L52 HydrophobicContact CD1-CD1 4.4Å; L52-H56 HydrophobicContact CD1-CB 4.1Å; L52-L58 HydrophobicContact CD2-CD2 4.41Å; L52-R81 VanDerWaalsContact CD1-NH2 3.33Å; L52-L93 HydrophobicContact CD2-CD1 3.88Å; L52-L93 HydrophobicContact CD2-CD2 4.39Å; L52-V101 HydrophobicContact CB-CG2 3.77Å; L52-V101 HydrophobicContact CD2-CG1 4.14Å; L52-V101 HydrophobicContact CD2-CG2 3.88Å; L52-V101 HydrophobicContact CG-CG2 4.38Å
53	Q	91	Very high	93.7	Very high	84 Å²	84	44.3 Å²	44.3	39%	0.393	22%	0.22	S	C	.	.			trans	-127.6	151.5	-177.5	-62.4	-63.5	-42.5	0	0	109.3	Y55 H56 R81	Q53-Y55 HydrophobicContact CB-CD1 3.9Å; Q53-Y55 HydrophobicContact CB-CE1 3.42Å; Q53-Y55 VanDerWaalsContact CB-CE1 3.42Å; Q53-Y55 HydrophobicContact CB-CE2 4.25Å; Q53-Y55 HydrophobicContact CB-CG 4.5Å; Q53-Y55 HydrophobicContact CG-CE1 3.95Å; Q53-Y55 PolarHBondContact O-N 3.42Å; Q53-H56 PolarHBondContact N-ND1 3.07Å; Q53-H56 WeakPolarHBondContact O-CB 3.45Å; Q53-H56 PolarHBondContact O-N 3.33Å; Q53-R81 PolarHBondContact O-NH1 2.76Å; Q53-R81 VanDerWaalsContact O-NH1 3.1Å; Q53-R81 PolarHBondContact O-NH2 2.75Å
54	S	87.6	Confident	93.6	Very high	109 Å²	109	42.4 Å²	42.4	76%	0.762	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-26.2	-173	57.1	0	0	0	0	114.9	R81	S54-R81 VanDerWaalsContact C-NH1 3.33Å; S54-R81 PolarHBondContact O-NH1 3.47Å
55	Y	87.8	Confident	93.4	Very high	157 Å²	157	43.9 Å²	43.9	62%	0.616	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-8.3	178.7	59.7	-97.7	0	0	0	114.1	Q53	Q53-Y55 HydrophobicContact CB-CD1 3.9Å; Q53-Y55 HydrophobicContact CB-CE1 3.42Å; Q53-Y55 VanDerWaalsContact CB-CE1 3.42Å; Q53-Y55 HydrophobicContact CB-CE2 4.25Å; Q53-Y55 HydrophobicContact CB-CG 4.5Å; Q53-Y55 HydrophobicContact CG-CE1 3.95Å; Q53-Y55 PolarHBondContact O-N 3.42Å
56	H	90.4	Very high	92.9	Very high	16 Å²	16	44.6 Å²	44.6	7%	0.074	24%	0.241	C	C	.	.	S	Bend	trans	-74.7	133.9	175.7	-67.9	147.2	0	0	0	110.8	L8 L52 Q53 R81	L8-H56 HydrophobicContact CB-CB 4.29Å; L8-H56 HydrophobicContact CD2-CB 3.71Å; L52-H56 HydrophobicContact CD1-CB 4.1Å; Q53-H56 PolarHBondContact N-ND1 3.07Å; Q53-H56 WeakPolarHBondContact O-CB 3.45Å; Q53-H56 PolarHBondContact O-N 3.33Å; H56-R81 PolarHBondContact O-NH1 3.28Å
57	E	90.1	Very high	92.6	Very high	122 Å²	122	51.1 Å²	51.1	57%	0.57	28%	0.276	S	S	*	.			trans	-78	138.4	168.1	-64.9	-174.9	-178	0	0	110.4	T122	E57-T122 VanDerWaalsContact O-CA 3.29Å; E57-T122 WeakPolarHBondContact O-CA 3.49Å
58	L	92.4	Very high	92.5	Very high	3 Å²	3	52 Å²	52	2%	0.016	28%	0.283	C	S	.	.			trans	-141	119.5	173.9	176.8	64.1	0	0	0	109.1	V10 L46 L52 P80 L93 V120 K121 T122	V10-L58 HydrophobicContact CG2-CD1 4.43Å; L46-L58 HydrophobicContact CD1-CD1 3.88Å; L46-L58 HydrophobicContact CD1-CD2 3.94Å; L46-L58 HydrophobicContact CD1-CG 4.46Å; L52-L58 HydrophobicContact CD2-CD2 4.41Å; L58-P80 HydrophobicContact CD2-CG 4.12Å; L58-P80 HydrophobicContact CG-CG 4.33Å; L58-P80 WeakPolarHBondContact O-CD 3.29Å; L58-L93 HydrophobicContact CD2-CD2 4.37Å; L58-V120 HydrophobicContact CD1-CG1 3.6Å; L58-K121 CarbonylContact C-O 3.57Å; L58-K121 WeakPolarHBondContact CA-O 3.34Å; L58-T122 HydrophobicContact CD1-CG2 3.61Å
59	K	93.9	Very high	92.4	Very high	82 Å²	82	53.6 Å²	53.6	36%	0.357	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.4	176.6	-59.7	-178.1	-178.5	176.6	0	111.4	V77 L78 V120 K121	K59-V77 HydrophobicContact CB-CG1 4.27Å; K59-V77 HydrophobicContact CD-CG1 4.12Å; K59-L78 CarbonylContact C-O 3.59Å; K59-L78 VanDerWaalsContact CA-O 3.24Å; K59-L78 WeakPolarHBondContact CA-O 3.29Å; K59-V120 WeakPolarHBondContact O-CA 3.49Å; K59-K121 HydrophobicContact CB-CB 4.31Å; K59-K121 PolarHBondContact N-O 3.1Å; K59-K121 PolarHBondContact O-N 2.82Å
60	L	95.1	Very high	92.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.3	172.1	-58.9	175.7	0	0	0	108.9	L44 L46 F62 V77 L78 P80 A91 V103 V105 L118 V120	L44-L60 HydrophobicContact CD1-CD2 4.43Å; L44-L60 HydrophobicContact CD2-CD1 4.36Å; L46-L60 HydrophobicContact CD1-CD2 4.47Å; L60-F62 HydrophobicContact CB-CD2 4.41Å; L60-F62 HydrophobicContact CB-CE2 3.79Å; L60-F62 HydrophobicContact CD1-CE2 4.31Å; L60-V77 CarbonylContact O-C 3.52Å; L60-V77 WeakPolarHBondContact O-CA 3.37Å; L60-L78 HydrophobicContact CB-CB 4.42Å; L60-L78 PolarHBondContact N-O 2.8Å; L60-L78 PolarHBondContact O-N 2.97Å; L60-P80 HydrophobicContact CD1-CG 4.16Å; L60-P80 HydrophobicContact CG-CG 4.27Å; L60-A91 HydrophobicContact CD1-CB 4.31Å; L60-V103 HydrophobicContact CD1-CB 4.48Å; L60-V103 HydrophobicContact CD1-CG1 3.86Å; L60-V105 HydrophobicContact CD1-CG2 3.81Å; L60-L118 HydrophobicContact CB-CD1 4.12Å; L60-L118 HydrophobicContact CD2-CD1 4.26Å; L60-V120 HydrophobicContact CD2-CB 4.41Å; L60-V120 HydrophobicContact CD2-CG1 3.94Å; L60-V120 HydrophobicContact CD2-CG2 3.79Å
61	E	95	Very high	92	Very high	24 Å²	24	57.7 Å²	57.7	11%	0.112	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	107.6	178.1	-60.8	-167.9	160.4	0	0	110.5	L75 V76 V77 L118 H119 K121	E61-L75 HydrophobicContact CB-CD1 4.2Å; E61-V76 CarbonylContact C-O 3.59Å; E61-V76 VanDerWaalsContact CA-O 3.31Å; E61-V76 WeakPolarHBondContact CA-O 3.36Å; E61-V77 HydrophobicContact CG-CG1 4.2Å; E61-V77 HydrophobicContact CG-CG2 4.09Å; E61-L118 CarbonylContact O-C 3.57Å; E61-L118 WeakPolarHBondContact O-CA 3.47Å; E61-H119 HydrophobicContact CB-CB 4.28Å; E61-H119 PolarHBondContact N-O 3.25Å; E61-H119 PolarHBondContact O-N 3.28Å; E61-K121 HydrophobicContact CG-CD 4.42Å; E61-K121 VanDerWaalsContact OE1-CD 3.31Å; E61-K121 WeakPolarHBondContact OE1-CD 3.27Å; E61-K121 WeakPolarHBondContact OE1-CE 3.43Å; E61-K121 IonicContact OE1-NZ 3.62Å; E61-K121 PolarHBondContact OE1-NZ 3.49Å; E61-K121 WeakPolarHBondContact OE2-CE 3.29Å; E61-K121 IonicContact OE2-NZ 3.37Å; E61-K121 PolarHBondContact OE2-NZ 2.89Å
62	F	96.1	Very high	91.8	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	122.5	175	-64.1	-89	0	0	0	109.4	F42 L44 L60 L75 V76 L78 W89 V105 Y116 L118 L134	F42-F62 HydrophobicContact CE2-CE1 4.43Å; F42-F62 HydrophobicContact CE2-CZ 4.4Å; F42-F62 HydrophobicContact CZ-CE1 4.13Å; F42-F62 HydrophobicContact CZ-CZ 4.14Å; L44-F62 HydrophobicContact CD2-CZ 4.29Å; L60-F62 HydrophobicContact CB-CD2 4.41Å; L60-F62 HydrophobicContact CB-CE2 3.79Å; L60-F62 HydrophobicContact CD1-CE2 4.31Å; F62-L75 CarbonylContact O-C 3.55Å; F62-L75 WeakPolarHBondContact O-CA 3.31Å; F62-V76 HydrophobicContact CB-CB 4.36Å; F62-V76 PolarHBondContact N-O 3.14Å; F62-V76 PolarHBondContact O-N 3.01Å; F62-L78 HydrophobicContact CD2-CD1 4.34Å; F62-L78 HydrophobicContact CE2-CD1 4.09Å; F62-W89 HydrophobicContact CD2-CZ3 4.29Å; F62-W89 HydrophobicContact CG-CZ3 4.31Å; F62-V105 HydrophobicContact CE2-CG1 4.04Å; F62-V105 HydrophobicContact CZ-CG1 4.03Å; F62-V105 HydrophobicContact CZ-CG2 4.35Å; F62-Y116 HydrophobicContact CB-CD1 3.9Å; F62-Y116 HydrophobicContact CB-CE1 4.4Å; F62-L118 HydrophobicContact CD1-CB 4.3Å; F62-L118 HydrophobicContact CD1-CD1 4.02Å; F62-L118 HydrophobicContact CD2-CD1 4.28Å; F62-L118 HydrophobicContact CE1-CB 4.24Å; F62-L118 HydrophobicContact CE1-CD1 3.75Å; F62-L118 HydrophobicContact CE1-CD2 4.17Å; F62-L118 HydrophobicContact CE1-CG 4.27Å; F62-L118 HydrophobicContact CE2-CD1 4.02Å; F62-L118 HydrophobicContact CG-CD1 4.28Å; F62-L118 HydrophobicContact CZ-CD1 3.75Å; F62-L118 HydrophobicContact CZ-CD2 4.35Å; F62-L134 HydrophobicContact CD1-CD2 3.98Å; F62-L134 HydrophobicContact CE1-CD2 3.67Å
63	S	95.5	Very high	91.7	Very high	15 Å²	15	63.1 Å²	63.1	11%	0.105	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.7	-177.2	58.9	0	0	0	0	112.6	T74 Y116 Q117	S63-T74 CarbonylContact C-O 3.59Å; S63-T74 VanDerWaalsContact CA-O 3.3Å; S63-T74 WeakPolarHBondContact CA-O 3.4Å; S63-Y116 CarbonylContact O-C 3.45Å; S63-Y116 VanDerWaalsContact O-CA 3.3Å; S63-Y116 WeakPolarHBondContact O-CA 3.41Å; S63-Q117 PolarHBondContact N-O 2.86Å; S63-Q117 PolarHBondContact O-N 3.18Å; S63-Q117 PolarHBondContact OG-O 3Å
64	T	95	Very high	91.8	Very high	7 Å²	7	59.3 Å²	59.3	4%	0.043	33%	0.329	C	S	.	.			trans	-140.6	151.6	179.3	-170.4	0	0	0	0	111.9	T74 I112 K115 Y116	T64-T74 HydrophobicContact CG2-CG2 4.3Å; T64-T74 PolarHBondContact N-O 2.91Å; T64-T74 VanDerWaalsContact O-CB 3.31Å; T64-T74 WeakPolarHBondContact O-CB 3.24Å; T64-I112 HydrophobicContact CG2-CB 4.25Å; T64-I112 HydrophobicContact CG2-CD1 4.15Å; T64-I112 HydrophobicContact CG2-CG2 3.91Å; T64-K115 WeakPolarHBondContact CB-O 3.48Å; T64-K115 PolarHBondContact OG1-O 3.17Å; T64-Y116 HydrophobicContact CG2-CD1 4.33Å; T64-Y116 HydrophobicContact CG2-CE1 3.74Å; T64-Y116 HydrophobicContact CG2-CE2 4.37Å
65	G	91.2	Very high	92.2	Very high	31 Å²	31	55.9 Å²	55.9	32%	0.32	30%	0.302	S	S	.	.	S	Bend	trans	69.3	176	-180	0	0	0	0	0	114.9
66	P	87.9	Confident	92.5	Very high	92 Å²	92	48.6 Å²	48.6	60%	0.597	27%	0.274	S	S	*	.	S	Bend	trans	-73	137.6	176.3	30.1	-33.8	0	0	0	110.6
67	N	90.1	Very high	92.7	Very high	137 Å²	137	48.9 Å²	48.9	73%	0.733	28%	0.277	S	S	*	.	S	Bend	trans	54.4	66.5	-179.6	-53.7	-46.5	0	0	0	114.2
68	P	93	Very high	92.9	Very high	55 Å²	55	43.1 Å²	43.1	36%	0.357	25%	0.25	S	S	.	.			trans	-57.4	136.7	179	-24.5	35.3	0	0	0	113	T74 L75	P68-T74 WeakPolarHBondContact CA-OG1 3.42Å; P68-L75 HydrophobicContact CB-CB 4Å
69	S	93.8	Very high	92.8	Very high	34 Å²	34	44.8 Å²	44.8	24%	0.238	26%	0.259	C	S	.	.			trans	-151.4	150	175.7	68.5	0	0	0	0	111.4	A71 K72 H73 T74 L75	S69-A71 VanDerWaalsContact C-N 3.35Å; S69-K72 PolarHBondContact O-N 2.76Å; S69-K72 WeakPolarHBondContact OG-CB 3.35Å; S69-K72 WeakPolarHBondContact OG-CG 3.21Å; S69-K72 PolarHBondContact OG-N 2.84Å; S69-H73 PolarHBondContact O-N 3.42Å; S69-T74 PolarHBondContact N-OG1 3.2Å; S69-T74 PolarHBondContact O-N 3.35Å; S69-T74 VanDerWaalsContact O-N 3.11Å; S69-T74 PolarHBondContact O-OG1 3.11Å; S69-L75 PolarHBondContact O-N 3.07Å; S69-L75 VanDerWaalsContact O-N 3.16Å
70	I	91.3	Very high	92.7	Very high	81 Å²	81	41.1 Å²	41.1	42%	0.415	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-44.6	178.5	-61.8	174.7	0	0	0	110.1	K72 H73 L75 V77	I70-K72 PolarHBondContact O-N 2.89Å; I70-K72 VanDerWaalsContact O-N 3.16Å; I70-H73 WeakPolarHBondContact O-CA 3.25Å; I70-H73 PolarHBondContact O-N 3Å; I70-L75 HydrophobicContact CG1-CB 4.45Å; I70-L75 HydrophobicContact CG1-CD2 4.17Å; I70-L75 HydrophobicContact CG1-CG 4.3Å; I70-V77 HydrophobicContact CD1-CG2 4.25Å
71	A	89.5	Confident	92.2	Very high	92 Å²	92	44.8 Å²	44.8	76%	0.76	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.4	-179.2	0	0	0	0	0	114.1	S69	S69-A71 VanDerWaalsContact C-N 3.35Å
72	K	88.5	Confident	91.6	Very high	125 Å²	125	47 Å²	47	54%	0.543	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	2.2	175.2	-62.9	178.2	-177.1	175.6	0	113	S69 I70 T74 T204	S69-K72 PolarHBondContact O-N 2.76Å; S69-K72 WeakPolarHBondContact OG-CB 3.35Å; S69-K72 WeakPolarHBondContact OG-CG 3.21Å; S69-K72 PolarHBondContact OG-N 2.84Å; I70-K72 PolarHBondContact O-N 2.89Å; I70-K72 VanDerWaalsContact O-N 3.16Å; K72-T74 HydrophobicContact CB-CG2 4.29Å; K72-T74 PolarHBondContact O-N 3.36Å; K72-T74 VanDerWaalsContact O-N 3.09Å; K72-T204 VanDerWaalsContact O-CG2 3.29Å; K72-T204 WeakPolarHBondContact O-CG2 3.24Å
73	H	90.4	Very high	90.2	Very high	60 Å²	60	53.5 Å²	53.5	28%	0.278	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	21.2	-175.5	-54.4	-154	0	0	0	112.7	S69 I70 H87	S69-H73 PolarHBondContact O-N 3.42Å; I70-H73 WeakPolarHBondContact O-CA 3.25Å; I70-H73 PolarHBondContact O-N 3Å; H73-H87 AromaticContact CD2-CE1 3.77Å; H73-H87 AromaticContact CD2-NE2 3.64Å; H73-H87 AromaticContact CE1-CD2 3.91Å; H73-H87 AromaticContact CE1-CE1 3.25Å; H73-H87 PolarHBondContact CE1-CE1 2.78Å; H73-H87 AromaticContact CE1-CG 3.57Å; H73-H87 AromaticContact CE1-ND1 3.15Å; H73-H87 PolarHBondContact CE1-ND1 2.92Å; H73-H87 AromaticContact CE1-NE2 3.73Å; H73-H87 AromaticContact CG-CD2 3.89Å; H73-H87 AromaticContact CG-NE2 3.88Å; H73-H87 AromaticContact ND1-CD2 3.72Å; H73-H87 AromaticContact ND1-CE1 3.84Å; H73-H87 AromaticContact ND1-CG 3.54Å; H73-H87 AromaticContact ND1-ND1 3.64Å; H73-H87 AromaticContact ND1-NE2 3.9Å; H73-H87 AromaticContact NE2-CE1 3.2Å; H73-H87 PolarHBondContact NE2-CE1 2.96Å; H73-H87 AromaticContact NE2-ND1 3.63Å; H73-H87 AromaticContact NE2-NE2 3.57Å
74	T	93.9	Very high	88.6	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.018	32%	0.318	C	S	.	.	S	Bend	trans	-93.8	-7.7	176.6	48.7	0	0	0	0	112.1	S63 T64 P68 S69 K72 I112 P203	S63-T74 CarbonylContact C-O 3.59Å; S63-T74 VanDerWaalsContact CA-O 3.3Å; S63-T74 WeakPolarHBondContact CA-O 3.4Å; T64-T74 HydrophobicContact CG2-CG2 4.3Å; T64-T74 PolarHBondContact N-O 2.91Å; T64-T74 VanDerWaalsContact O-CB 3.31Å; T64-T74 WeakPolarHBondContact O-CB 3.24Å; P68-T74 WeakPolarHBondContact CA-OG1 3.42Å; S69-T74 PolarHBondContact N-OG1 3.2Å; S69-T74 PolarHBondContact O-N 3.35Å; S69-T74 VanDerWaalsContact O-N 3.11Å; S69-T74 PolarHBondContact O-OG1 3.11Å; K72-T74 HydrophobicContact CB-CG2 4.29Å; K72-T74 PolarHBondContact O-N 3.36Å; K72-T74 VanDerWaalsContact O-N 3.09Å; T74-I112 HydrophobicContact CG2-CD1 3.84Å; T74-P203 HydrophobicContact CG2-CB 3.78Å
75	L	95.1	Very high	87	Confident	37 Å²	37	59 Å²	59	19%	0.194	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	122.1	167.1	176.6	64.2	0	0	0	108.6	E61 F62 P68 S69 I70 V77	E61-L75 HydrophobicContact CB-CD1 4.2Å; F62-L75 CarbonylContact O-C 3.55Å; F62-L75 WeakPolarHBondContact O-CA 3.31Å; P68-L75 HydrophobicContact CB-CB 4Å; S69-L75 PolarHBondContact O-N 3.07Å; S69-L75 VanDerWaalsContact O-N 3.16Å; I70-L75 HydrophobicContact CG1-CB 4.45Å; I70-L75 HydrophobicContact CG1-CD2 4.17Å; I70-L75 HydrophobicContact CG1-CG 4.3Å; L75-V77 HydrophobicContact CD2-CG2 4.47Å; L75-V77 HydrophobicContact CG-CG2 4.19Å
76	V	94.5	Very high	85.8	Confident	5 Å²	5	60.7 Å²	60.7	3%	0.03	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.5	174.4	-177.7	0	0	0	0	107.7	E61 F62 L78 H86 W89	E61-V76 CarbonylContact C-O 3.59Å; E61-V76 VanDerWaalsContact CA-O 3.31Å; E61-V76 WeakPolarHBondContact CA-O 3.36Å; F62-V76 HydrophobicContact CB-CB 4.36Å; F62-V76 PolarHBondContact N-O 3.14Å; F62-V76 PolarHBondContact O-N 3.01Å; V76-L78 HydrophobicContact CG1-CD1 4.36Å; V76-L78 HydrophobicContact CG1-CD2 3.87Å; V76-L78 HydrophobicContact CG1-CG 3.92Å; V76-H86 HydrophobicContact CG1-CB 4.3Å; V76-W89 HydrophobicContact CG1-CB 3.77Å; V76-W89 HydrophobicContact CG1-CD2 3.92Å; V76-W89 HydrophobicContact CG1-CE3 4.31Å; V76-W89 HydrophobicContact CG1-CG 3.72Å; V76-W89 HydrophobicContact CG2-CD2 4.3Å; V76-W89 HydrophobicContact CG2-CG 4.37Å
77	V	93.9	Very high	84.9	Confident	22 Å²	22	60 Å²	60	13%	0.133	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.6	177.6	-176.3	0	0	0	0	107.3	K59 L60 E61 I70 L75 H86	K59-V77 HydrophobicContact CB-CG1 4.27Å; K59-V77 HydrophobicContact CD-CG1 4.12Å; L60-V77 CarbonylContact O-C 3.52Å; L60-V77 WeakPolarHBondContact O-CA 3.37Å; E61-V77 HydrophobicContact CG-CG1 4.2Å; E61-V77 HydrophobicContact CG-CG2 4.09Å; I70-V77 HydrophobicContact CD1-CG2 4.25Å; L75-V77 HydrophobicContact CD2-CG2 4.47Å; L75-V77 HydrophobicContact CG-CG2 4.19Å; V77-H86 PolarHBondContact O-CD2 3.16Å; V77-H86 VanDerWaalsContact O-CG 3.31Å; V77-H86 PolarHBondContact O-NE2 2.8Å
78	L	93.9	Very high	84.6	Confident	1 Å²	1	58 Å²	58	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	142.7	-179.4	-57.8	173.3	0	0	0	110	K59 L60 F62 V76 H86 W89 A91 V105	K59-L78 CarbonylContact C-O 3.59Å; K59-L78 VanDerWaalsContact CA-O 3.24Å; K59-L78 WeakPolarHBondContact CA-O 3.29Å; L60-L78 HydrophobicContact CB-CB 4.42Å; L60-L78 PolarHBondContact N-O 2.8Å; L60-L78 PolarHBondContact O-N 2.97Å; F62-L78 HydrophobicContact CD2-CD1 4.34Å; F62-L78 HydrophobicContact CE2-CD1 4.09Å; V76-L78 HydrophobicContact CG1-CD1 4.36Å; V76-L78 HydrophobicContact CG1-CD2 3.87Å; V76-L78 HydrophobicContact CG1-CG 3.92Å; L78-H86 HydrophobicContact CD2-CB 4.17Å; L78-W89 HydrophobicContact CD1-CB 4.18Å; L78-W89 HydrophobicContact CD1-CE3 4.09Å; L78-W89 HydrophobicContact CD2-CB 3.75Å; L78-W89 HydrophobicContact CG-CB 4.5Å; L78-A91 HydrophobicContact CB-CB 3.77Å; L78-A91 HydrophobicContact CD1-CB 3.94Å; L78-A91 HydrophobicContact CG-CB 4.42Å; L78-V105 HydrophobicContact CD1-CG1 4Å
79	D	91.9	Very high	84.6	Confident	37 Å²	37	55.6 Å²	55.6	20%	0.198	31%	0.306	C	S	.	.			trans	-110.9	112	169.6	178.7	-18.3	0	0	0	107.2	R81 T82	D79-R81 PolarHBondContact O-N 2.83Å; D79-R81 WeakPolarHBondContact OD1-CB 3.4Å; D79-R81 PolarHBondContact OD1-N 2.86Å; D79-T82 VanDerWaalsContact CB-OG1 3.26Å; D79-T82 WeakPolarHBondContact CB-OG1 3.46Å; D79-T82 PolarHBondContact O-N 2.82Å; D79-T82 PolarHBondContact OD1-N 2.66Å; D79-T82 PolarHBondContact OD2-OG1 2.91Å
80	P	90.4	Very high	84.5	Confident	5 Å²	5	59.4 Å²	59.4	3%	0.032	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-11.4	-177.3	-26.1	36.8	0	0	0	115.7	L58 L60 A91 T92 L93 V103	L58-P80 HydrophobicContact CD2-CG 4.12Å; L58-P80 HydrophobicContact CG-CG 4.33Å; L58-P80 WeakPolarHBondContact O-CD 3.29Å; L60-P80 HydrophobicContact CD1-CG 4.16Å; L60-P80 HydrophobicContact CG-CG 4.27Å; P80-A91 HydrophobicContact CB-CB 4.34Å; P80-A91 HydrophobicContact CG-CB 4.21Å; P80-T92 WeakPolarHBondContact O-CA 3.27Å; P80-L93 HydrophobicContact CB-CD2 3.57Å; P80-L93 HydrophobicContact CB-CG 3.85Å; P80-L93 HydrophobicContact CG-CD2 4.46Å; P80-L93 PolarHBondContact O-N 3.42Å; P80-L93 VanDerWaalsContact O-N 3.16Å; P80-V103 HydrophobicContact CB-CG1 3.86Å; P80-V103 HydrophobicContact CG-CG1 3.84Å; P80-V103 HydrophobicContact CG-CG2 4.33Å
81	R	85.6	Confident	84.7	Confident	77 Å²	77	55.9 Å²	55.9	29%	0.291	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-28.7	-179.2	-69.4	-177.3	176.9	161.2	3.1	113.9	L52 Q53 S54 H56 D79 L93	L52-R81 VanDerWaalsContact CD1-NH2 3.33Å; Q53-R81 PolarHBondContact O-NH1 2.76Å; Q53-R81 VanDerWaalsContact O-NH1 3.1Å; Q53-R81 PolarHBondContact O-NH2 2.75Å; S54-R81 VanDerWaalsContact C-NH1 3.33Å; S54-R81 PolarHBondContact O-NH1 3.47Å; H56-R81 PolarHBondContact O-NH1 3.28Å; D79-R81 PolarHBondContact O-N 2.83Å; D79-R81 WeakPolarHBondContact OD1-CB 3.4Å; D79-R81 PolarHBondContact OD1-N 2.86Å; R81-L93 HydrophobicContact CG-CD1 3.54Å; R81-L93 HydrophobicContact CG-CG 4.23Å
82	T	81.1	Confident	84.9	Confident	71 Å²	71	55 Å²	55	44%	0.436	29%	0.288	S	S	.	.	S	Bend	trans	-106.9	125.6	178.5	53.3	0	0	0	0	108.1	D79 S84	D79-T82 VanDerWaalsContact CB-OG1 3.26Å; D79-T82 WeakPolarHBondContact CB-OG1 3.46Å; D79-T82 PolarHBondContact O-N 2.82Å; D79-T82 PolarHBondContact OD1-N 2.66Å; D79-T82 PolarHBondContact OD2-OG1 2.91Å; T82-S84 VanDerWaalsContact C-N 3.32Å; T82-S84 PolarHBondContact O-N 3.2Å
83	P	67.1	Low	85.1	Confident	137 Å²	137	51.1 Å²	51.1	89%	0.89	27%	0.273	S	S	*	.			trans	-58.6	101	170.5	-19.1	30.3	0	0	0	108.1
84	S	63.3	Low	85.1	Confident	23 Å²	23	53.6 Å²	53.6	16%	0.161	29%	0.285	C	S	.	.			trans	-108.8	110.7	175.8	59.9	0	0	0	0	107.9	T82 H86	T82-S84 VanDerWaalsContact C-N 3.32Å; T82-S84 PolarHBondContact O-N 3.2Å; S84-H86 VanDerWaalsContact CB-CD2 3.44Å; S84-H86 WeakPolarHBondContact CB-CD2 3.31Å; S84-H86 PolarHBondContact O-N 3.25Å; S84-H86 PolarHBondContact OG-CD2 2.87Å
85	D	61.3	Low	84.9	Confident	115 Å²	115	58.7 Å²	58.7	62%	0.615	31%	0.312	S	S	*	.			trans	-80	73.3	175.3	-172.5	7.7	0	0	0	109.6	H87 N88	D85-H87 PolarHBondContact O-N 2.81Å; D85-H87 VanDerWaalsContact O-N 3.07Å; D85-N88 WeakPolarHBondContact OD1-CA 3.44Å; D85-N88 PolarHBondContact OD1-N 3.35Å; D85-N88 PolarHBondContact OD1-OD1 3.33Å
86	H	65.1	Low	84.7	Confident	65 Å²	65	61.9 Å²	61.9	30%	0.301	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-82.6	75.9	171.5	-73.9	-73.6	0	0	0	109.5	V76 V77 L78 S84 W89	V76-H86 HydrophobicContact CG1-CB 4.3Å; V77-H86 PolarHBondContact O-CD2 3.16Å; V77-H86 VanDerWaalsContact O-CG 3.31Å; V77-H86 PolarHBondContact O-NE2 2.8Å; L78-H86 HydrophobicContact CD2-CB 4.17Å; S84-H86 VanDerWaalsContact CB-CD2 3.44Å; S84-H86 WeakPolarHBondContact CB-CD2 3.31Å; S84-H86 PolarHBondContact O-N 3.25Å; S84-H86 PolarHBondContact OG-CD2 2.87Å; H86-W89 PolarHBondContact O-N 3.3Å
87	H	69.5	Low	84.5	Confident	78 Å²	78	65.7 Å²	65.7	36%	0.361	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	45.1	179.4	-49	-71.3	0	0	0	113.4	H73 D85 W89 T108	H73-H87 AromaticContact CD2-CE1 3.77Å; H73-H87 AromaticContact CD2-NE2 3.64Å; H73-H87 AromaticContact CE1-CD2 3.91Å; H73-H87 AromaticContact CE1-CE1 3.25Å; H73-H87 PolarHBondContact CE1-CE1 2.78Å; H73-H87 AromaticContact CE1-CG 3.57Å; H73-H87 AromaticContact CE1-ND1 3.15Å; H73-H87 PolarHBondContact CE1-ND1 2.92Å; H73-H87 AromaticContact CE1-NE2 3.73Å; H73-H87 AromaticContact CG-CD2 3.89Å; H73-H87 AromaticContact CG-NE2 3.88Å; H73-H87 AromaticContact ND1-CD2 3.72Å; H73-H87 AromaticContact ND1-CE1 3.84Å; H73-H87 AromaticContact ND1-CG 3.54Å; H73-H87 AromaticContact ND1-ND1 3.64Å; H73-H87 AromaticContact ND1-NE2 3.9Å; H73-H87 AromaticContact NE2-CE1 3.2Å; H73-H87 PolarHBondContact NE2-CE1 2.96Å; H73-H87 AromaticContact NE2-ND1 3.63Å; H73-H87 AromaticContact NE2-NE2 3.57Å; D85-H87 PolarHBondContact O-N 2.81Å; D85-H87 VanDerWaalsContact O-N 3.07Å; H87-W89 PolarHBondContact O-N 2.85Å; H87-T108 VanDerWaalsContact O-CB 3.25Å; H87-T108 WeakPolarHBondContact O-CB 3.38Å
88	N	83.4	Confident	84.4	Confident	95 Å²	95	67.2 Å²	67.2	51%	0.508	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	15.6	-177	-53.5	-43.9	0	0	0	115.2	D85	D85-N88 WeakPolarHBondContact OD1-CA 3.44Å; D85-N88 PolarHBondContact OD1-N 3.35Å; D85-N88 PolarHBondContact OD1-OD1 3.33Å
89	W	92.9	Very high	84.5	Confident	5 Å²	5	72.6 Å²	72.6	2%	0.019	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-81.3	142.2	161.5	-78	70.7	0	0	0	109.8	F62 V76 L78 H86 H87 V105 T106 S107 A111 Y116 L136	F62-W89 HydrophobicContact CD2-CZ3 4.29Å; F62-W89 HydrophobicContact CG-CZ3 4.31Å; V76-W89 HydrophobicContact CG1-CB 3.77Å; V76-W89 HydrophobicContact CG1-CD2 3.92Å; V76-W89 HydrophobicContact CG1-CE3 4.31Å; V76-W89 HydrophobicContact CG1-CG 3.72Å; V76-W89 HydrophobicContact CG2-CD2 4.3Å; V76-W89 HydrophobicContact CG2-CG 4.37Å; L78-W89 HydrophobicContact CD1-CB 4.18Å; L78-W89 HydrophobicContact CD1-CE3 4.09Å; L78-W89 HydrophobicContact CD2-CB 3.75Å; L78-W89 HydrophobicContact CG-CB 4.5Å; H86-W89 PolarHBondContact O-N 3.3Å; H87-W89 PolarHBondContact O-N 2.85Å; W89-V105 HydrophobicContact CE3-CG1 4.21Å; W89-V105 HydrophobicContact CZ3-CG1 4.25Å; W89-T106 CarbonylContact C-O 3.6Å; W89-T106 WeakPolarHBondContact CA-O 3.43Å; W89-S107 VanDerWaalsContact CD2-CA 3.5Å; W89-A111 HydrophobicContact CZ2-CB 3.89Å; W89-Y116 HydrophobicContact CH2-CE1 4.46Å; W89-Y116 HydrophobicContact CZ2-CE1 4.38Å; W89-L136 HydrophobicContact CH2-CD2 3.95Å; W89-L136 HydrophobicContact CZ2-CD2 3.94Å
90	Q	92.9	Very high	84.7	Confident	114 Å²	114	74.6 Å²	74.6	53%	0.533	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	143.4	-177.4	-60.9	179.3	0.9	0	0	110	V105 T106	Q90-V105 CarbonylContact O-C 3.5Å; Q90-V105 WeakPolarHBondContact O-CA 3.17Å; Q90-T106 PolarHBondContact N-O 2.92Å; Q90-T106 PolarHBondContact O-N 3.22Å
91	A	94.1	Very high	84.9	Confident	7 Å²	7	74.4 Å²	74.4	6%	0.058	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139	168.2	0	0	0	0	0	109.1	L60 L78 P80 V103 A104 V105	L60-A91 HydrophobicContact CD1-CB 4.31Å; L78-A91 HydrophobicContact CB-CB 3.77Å; L78-A91 HydrophobicContact CD1-CB 3.94Å; L78-A91 HydrophobicContact CG-CB 4.42Å; P80-A91 HydrophobicContact CB-CB 4.34Å; P80-A91 HydrophobicContact CG-CB 4.21Å; A91-V103 HydrophobicContact CB-CG1 4.11Å; A91-A104 CarbonylContact C-O 3.52Å; A91-A104 VanDerWaalsContact CA-O 3.27Å; A91-A104 WeakPolarHBondContact CA-O 3.46Å; A91-V105 HydrophobicContact CB-CG2 4.32Å
92	T	93.7	Very high	85.5	Confident	73 Å²	73	72.1 Å²	72.1	45%	0.448	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	139.9	177.6	53	0	0	0	0	110.7	P80 Q94 V103 A104	P80-T92 WeakPolarHBondContact O-CA 3.27Å; T92-Q94 PolarHBondContact O-N 3.29Å; T92-V103 WeakPolarHBondContact O-CA 3.32Å; T92-V103 WeakPolarHBondContact O-CG1 3.47Å; T92-A104 PolarHBondContact N-O 3.31Å; T92-A104 PolarHBondContact O-N 3.45Å
93	L	93.7	Very high	86.2	Confident	43 Å²	43	68.7 Å²	68.7	23%	0.225	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	125.1	167.8	-63.1	-176.3	0	0	0	109.3	L52 L58 P80 R81 V101 V103	L52-L93 HydrophobicContact CD2-CD1 3.88Å; L52-L93 HydrophobicContact CD2-CD2 4.39Å; L58-L93 HydrophobicContact CD2-CD2 4.37Å; P80-L93 HydrophobicContact CB-CD2 3.57Å; P80-L93 HydrophobicContact CB-CG 3.85Å; P80-L93 HydrophobicContact CG-CD2 4.46Å; P80-L93 PolarHBondContact O-N 3.42Å; P80-L93 VanDerWaalsContact O-N 3.16Å; R81-L93 HydrophobicContact CG-CD1 3.54Å; R81-L93 HydrophobicContact CG-CG 4.23Å; L93-V101 HydrophobicContact CD2-CG1 3.52Å; L93-V103 HydrophobicContact CD2-CG2 4.03Å
94	Q	89.8	Confident	87.6	Confident	112 Å²	112	62.3 Å²	62.3	52%	0.523	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-43.7	177.3	-85.5	-165.6	-7.2	0	0	113.3	H43 T92 T102 A104	H43-Q94 PolarHBondContact CD2-OE1 3.44Å; H43-Q94 PolarHBondContact NE2-NE2 3.33Å; H43-Q94 PolarHBondContact NE2-OE1 3.26Å; T92-Q94 PolarHBondContact O-N 3.29Å; Q94-T102 PolarHBondContact N-O 3.32Å; Q94-A104 HydrophobicContact CG-CB 3.82Å
95	N	88.7	Confident	89.2	Confident	110 Å²	110	61.2 Å²	61.2	59%	0.588	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.6	133.5	-174.8	-137.1	6.6	0	0	0	110.6	V101 T102	N95-V101 WeakPolarHBondContact O-CA 3.36Å; N95-T102 PolarHBondContact O-N 2.89Å
96	E	90.9	Very high	90.8	Very high	104 Å²	104	57.6 Å²	57.6	49%	0.486	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	112.7	178.8	-61.3	-173.3	-126.2	0	0	108.4	V101	E96-V101 HydrophobicContact CG-CG1 4.36Å; E96-V101 HydrophobicContact CG-CG2 4.2Å
97	S	91	Very high	92.3	Very high	86 Å²	86	54.6 Å²	54.6	60%	0.601	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.9	101.6	-178	-175.2	0	0	0	0	110.3	K99 E100	S97-K99 PolarHBondContact O-N 3.41Å; S97-E100 PolarHBondContact N-O 3.24Å; S97-E100 PolarHBondContact O-N 3.16Å
98	G	92.1	Very high	93.5	Very high	53 Å²	53	51.5 Å²	51.5	55%	0.546	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	-109.1	-177.8	0	0	0	0	0	111.2	P51	P51-G98 WeakPolarHBondContact CA-O 3.33Å; P51-G98 VanDerWaalsContact CB-O 3.24Å; P51-G98 WeakPolarHBondContact CB-O 3.49Å
99	K	95.2	Very high	94.2	Very high	114 Å²	114	48.4 Å²	48.4	50%	0.496	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	6.8	-178.9	-61.1	-172.7	-177.6	-166.1	0	113.8	L48 N49 S97	L48-K99 WeakPolarHBondContact CB-O 3.17Å; L48-K99 PolarHBondContact N-O 3.46Å; L48-K99 WeakPolarHBondContact O-CB 3.31Å; N49-K99 WeakPolarHBondContact O-CD 3.49Å; N49-K99 VanDerWaalsContact O-CE 3.26Å; N49-K99 WeakPolarHBondContact O-CE 3.18Å; N49-K99 PolarHBondContact O-NZ 2.84Å; S97-K99 PolarHBondContact O-N 3.41Å
100	E	96.6	Very high	94.3	Very high	79 Å²	79	51.7 Å²	51.7	37%	0.369	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	136.2	178.8	-64.4	-173.2	-179.8	0	0	110.6	R45 L46 S97	R45-E100 WeakPolarHBondContact CD-OE2 3.28Å; R45-E100 IonicContact NH1-OE2 2.67Å; R45-E100 PolarHBondContact NH1-OE2 3.04Å; L46-E100 WeakPolarHBondContact O-CA 3.25Å; S97-E100 PolarHBondContact N-O 3.24Å; S97-E100 PolarHBondContact O-N 3.16Å
101	V	95.6	Very high	94.5	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	126.7	177.2	175.8	0	0	0	0	109.1	R45 L46 L48 L52 L93 N95 E96 V103	R45-V101 CarbonylContact C-O 3.53Å; R45-V101 WeakPolarHBondContact CA-O 3.31Å; L46-V101 PolarHBondContact N-O 3.42Å; L46-V101 PolarHBondContact O-N 3.13Å; L48-V101 HydrophobicContact CD1-CB 4.35Å; L48-V101 HydrophobicContact CD1-CG2 3.59Å; L52-V101 HydrophobicContact CB-CG2 3.77Å; L52-V101 HydrophobicContact CD2-CG1 4.14Å; L52-V101 HydrophobicContact CD2-CG2 3.88Å; L52-V101 HydrophobicContact CG-CG2 4.38Å; L93-V101 HydrophobicContact CD2-CG1 3.52Å; N95-V101 WeakPolarHBondContact O-CA 3.36Å; E96-V101 HydrophobicContact CG-CG1 4.36Å; E96-V101 HydrophobicContact CG-CG2 4.2Å; V101-V103 HydrophobicContact CG1-CG2 4.3Å
102	T	96.9	Very high	94.6	Very high	29 Å²	29	46.1 Å²	46.1	18%	0.178	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	126.7	173.9	-56.2	0	0	0	0	109.7	L16 H43 L44 Q94 N95	L16-T102 HydrophobicContact CD1-CG2 4.4Å; H43-T102 HydrophobicContact CB-CG2 4.29Å; L44-T102 WeakPolarHBondContact O-CA 3.35Å; Q94-T102 PolarHBondContact N-O 3.32Å; N95-T102 PolarHBondContact O-N 2.89Å
103	V	96.3	Very high	94.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.3	177.6	-170.6	0	0	0	0	108.9	H43 L44 L46 L60 P80 A91 T92 L93 V101 V105	H43-V103 WeakPolarHBondContact CA-O 3.42Å; L44-V103 HydrophobicContact CD1-CB 4.11Å; L44-V103 HydrophobicContact CD1-CG2 4.27Å; L44-V103 HydrophobicContact CG-CB 4.29Å; L44-V103 PolarHBondContact N-O 2.85Å; L44-V103 PolarHBondContact O-N 3.08Å; L46-V103 HydrophobicContact CD1-CG2 3.96Å; L46-V103 HydrophobicContact CG-CG2 4.35Å; L60-V103 HydrophobicContact CD1-CB 4.48Å; L60-V103 HydrophobicContact CD1-CG1 3.86Å; P80-V103 HydrophobicContact CB-CG1 3.86Å; P80-V103 HydrophobicContact CG-CG1 3.84Å; P80-V103 HydrophobicContact CG-CG2 4.33Å; A91-V103 HydrophobicContact CB-CG1 4.11Å; T92-V103 WeakPolarHBondContact O-CA 3.32Å; T92-V103 WeakPolarHBondContact O-CG1 3.47Å; L93-V103 HydrophobicContact CD2-CG2 4.03Å; V101-V103 HydrophobicContact CG1-CG2 4.3Å; V103-V105 HydrophobicContact CG1-CG2 4.02Å
104	A	96.5	Very high	95	Very high	3 Å²	3	40.8 Å²	40.8	3%	0.025	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.6	168.5	0	0	0	0	0	109.2	V41 A91 T92 Q94	V41-A104 HydrophobicContact CG2-CB 3.8Å; A91-A104 CarbonylContact C-O 3.52Å; A91-A104 VanDerWaalsContact CA-O 3.27Å; A91-A104 WeakPolarHBondContact CA-O 3.46Å; T92-A104 PolarHBondContact N-O 3.31Å; T92-A104 PolarHBondContact O-N 3.45Å; Q94-A104 HydrophobicContact CG-CB 3.82Å
105	V	96.3	Very high	95.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	127.7	-179	-177.2	0	0	0	0	109.1	V41 F42 L44 L60 F62 L78 W89 Q90 A91 V103	V41-V105 WeakPolarHBondContact CA-O 3.31Å; F42-V105 HydrophobicContact CD1-CB 4.47Å; F42-V105 WeakPolarHBondContact CD1-O 2.98Å; F42-V105 HydrophobicContact CD2-CB 4.31Å; F42-V105 HydrophobicContact CE1-CB 3.98Å; F42-V105 HydrophobicContact CE1-CG1 3.84Å; F42-V105 HydrophobicContact CE2-CB 3.8Å; F42-V105 HydrophobicContact CE2-CG1 4.17Å; F42-V105 HydrophobicContact CE2-CG2 4.32Å; F42-V105 HydrophobicContact CZ-CB 3.63Å; F42-V105 HydrophobicContact CZ-CG1 3.51Å; F42-V105 HydrophobicContact CZ-CG2 4.47Å; F42-V105 PolarHBondContact N-O 2.8Å; F42-V105 PolarHBondContact O-N 3.16Å; L44-V105 HydrophobicContact CD2-CG2 3.91Å; L60-V105 HydrophobicContact CD1-CG2 3.81Å; F62-V105 HydrophobicContact CE2-CG1 4.04Å; F62-V105 HydrophobicContact CZ-CG1 4.03Å; F62-V105 HydrophobicContact CZ-CG2 4.35Å; L78-V105 HydrophobicContact CD1-CG1 4Å; W89-V105 HydrophobicContact CE3-CG1 4.21Å; W89-V105 HydrophobicContact CZ3-CG1 4.25Å; Q90-V105 CarbonylContact O-C 3.5Å; Q90-V105 WeakPolarHBondContact O-CA 3.17Å; A91-V105 HydrophobicContact CB-CG2 4.32Å; V103-V105 HydrophobicContact CG1-CG2 4.02Å
106	T	96	Very high	95.7	Very high	39 Å²	39	35 Å²	35	24%	0.239	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121	173.8	-54.9	0	0	0	0	108.6	V41 W89 Q90	V41-T106 WeakPolarHBondContact CB-OG1 3.5Å; W89-T106 CarbonylContact C-O 3.6Å; W89-T106 WeakPolarHBondContact CA-O 3.43Å; Q90-T106 PolarHBondContact N-O 2.92Å; Q90-T106 PolarHBondContact O-N 3.22Å
107	S	96.5	Very high	96	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.007	18%	0.181	C	C	.	.			trans	-79.9	155.3	172.8	60.5	0	0	0	0	111.1	R38 G39 W89	R38-S107 VanDerWaalsContact CA-OG 3.25Å; R38-S107 WeakPolarHBondContact CA-OG 3.33Å; G39-S107 WeakPolarHBondContact CA-O 3.4Å; G39-S107 PolarHBondContact N-O 2.95Å; G39-S107 PolarHBondContact N-OG 2.87Å; G39-S107 VanDerWaalsContact N-OG 3.11Å; W89-S107 VanDerWaalsContact CD2-CA 3.5Å
108	T	95.3	Very high	96.3	Very high	13 Å²	13	27.7 Å²	27.7	8%	0.08	15%	0.153	C	C	.	.			trans	-59.9	141.6	169.6	-178.2	0	0	0	0	111.3	H87 N110 A111	H87-T108 VanDerWaalsContact O-CB 3.25Å; H87-T108 WeakPolarHBondContact O-CB 3.38Å; T108-N110 PolarHBondContact O-N 3.25Å; T108-A111 HydrophobicContact CG2-CB 3.93Å; T108-A111 VanDerWaalsContact O-CB 3.28Å; T108-A111 WeakPolarHBondContact O-CB 3.26Å; T108-A111 PolarHBondContact O-N 3.11Å
109	P	96.5	Very high	96.5	Very high	31 Å²	31	27 Å²	27	20%	0.201	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-14.6	174.3	-24.8	33.9	0	0	0	114.3	R38 E144	R38-P109 WeakPolarHBondContact CD-O 3.15Å; R38-P109 WeakPolarHBondContact CG-O 3.47Å; R38-P109 PolarHBondContact NE-O 3.08Å; P109-E144 HydrophobicContact CB-CB 3.75Å; P109-E144 HydrophobicContact CG-CB 3.6Å; P109-E144 HydrophobicContact CG-CG 4.42Å
110	N	95.1	Very high	96.5	Very high	74 Å²	74	21.6 Å²	21.6	40%	0.396	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	30.6	175	-166.6	20.8	0	0	0	112.5	T108 R207	T108-N110 PolarHBondContact O-N 3.25Å; N110-R207 PolarHBondContact O-NH1 2.88Å; N110-R207 WeakPolarHBondContact OD1-CD 3.36Å; N110-R207 WeakPolarHBondContact OD1-CG 3.33Å
111	A	96.8	Very high	96.3	Very high	2 Å²	2	20.8 Å²	20.8	2%	0.017	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-64.8	151.6	176.9	0	0	0	0	0	111.1	R38 W89 T108 L136 R207	R38-A111 HydrophobicContact CB-CB 3.98Å; R38-A111 PolarHBondContact NH1-O 2.84Å; R38-A111 VanDerWaalsContact NH1-O 3.11Å; W89-A111 HydrophobicContact CZ2-CB 3.89Å; T108-A111 HydrophobicContact CG2-CB 3.93Å; T108-A111 VanDerWaalsContact O-CB 3.28Å; T108-A111 WeakPolarHBondContact O-CB 3.26Å; T108-A111 PolarHBondContact O-N 3.11Å; A111-L136 HydrophobicContact CB-CD2 3.49Å; A111-L136 VanDerWaalsContact CB-CD2 3.49Å; A111-R207 WeakPolarHBondContact O-CB 3.09Å
112	I	97.4	Very high	96.1	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.01	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-62.2	137	173	-68.2	169.9	0	0	0	108.4	T64 T74 Y116 P203 R206 R207	T64-I112 HydrophobicContact CG2-CB 4.25Å; T64-I112 HydrophobicContact CG2-CD1 4.15Å; T64-I112 HydrophobicContact CG2-CG2 3.91Å; T74-I112 HydrophobicContact CG2-CD1 3.84Å; I112-Y116 WeakPolarHBondContact CB-OH 3.05Å; I112-Y116 VanDerWaalsContact O-CE2 3.27Å; I112-Y116 WeakPolarHBondContact O-CE2 3.5Å; I112-Y116 PolarHBondContact O-OH 2.8Å; I112-P203 WeakPolarHBondContact CG1-O 3.45Å; I112-P203 WeakPolarHBondContact CG2-O 3.37Å; I112-R206 HydrophobicContact CG2-CB 4.2Å; I112-R207 HydrophobicContact CG1-CB 4.37Å
113	L	97.9	Very high	95.6	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-82	148.9	175.7	-55.9	178	0	0	0	111.1	L136 C138 L196 R206 V212	L113-L136 WeakPolarHBondContact CA-O 3.35Å; L113-C138 WeakPolarHBondContact CD1-SG 3.38Å; L113-C138 HydrophobicContact CD2-CB 4.47Å; L113-C138 VanDerWaalsContact CD2-N 3.3Å; L113-L196 HydrophobicContact CB-CD1 4.35Å; L113-R206 WeakPolarHBondContact CB-O 3.35Å; L113-R206 VanDerWaalsContact CD1-O 3.31Å; L113-R206 WeakPolarHBondContact CD1-O 3.19Å; L113-R206 WeakPolarHBondContact CG-O 3.35Å; L113-R206 PolarHBondContact N-O 3.39Å; L113-V212 HydrophobicContact CD1-CG2 4.1Å
114	G	97.1	Very high	95.1	Very high	3 Å²	3	30.9 Å²	30.9	3%	0.031	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	123.3	-151.5	168.4	0	0	0	0	0	114.1	Y135 L136	G114-Y135 WeakPolarHBondContact O-CA 3.42Å; G114-L136 PolarHBondContact N-O 2.99Å; G114-L136 PolarHBondContact O-N 3.26Å
115	K	97	Very high	94.7	Very high	97 Å²	97	33 Å²	33	42%	0.422	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	128.1	-178.6	-176.6	178.1	168.8	172.2	0	111.5	T64 I133 Y135 I193	T64-K115 WeakPolarHBondContact CB-O 3.48Å; T64-K115 PolarHBondContact OG1-O 3.17Å; K115-I133 HydrophobicContact CD-CG2 4.1Å; K115-I133 HydrophobicContact CG-CG2 3.67Å; K115-I133 VanDerWaalsContact NZ-CD1 3.3Å; K115-Y135 HydrophobicContact CB-CD1 4.16Å; K115-Y135 HydrophobicContact CB-CE1 3.97Å; K115-Y135 HydrophobicContact CD-CE1 4.5Å; K115-Y135 HydrophobicContact CG-CD1 4.44Å; K115-Y135 HydrophobicContact CG-CE1 4.04Å; K115-I193 HydrophobicContact CB-CG2 4.1Å
116	Y	97.1	Very high	94.5	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137	169.1	-81	-96.3	0	0	0	110.8	F62 S63 T64 W89 I112 I133 L134 L136	F62-Y116 HydrophobicContact CB-CD1 3.9Å; F62-Y116 HydrophobicContact CB-CE1 4.4Å; S63-Y116 CarbonylContact O-C 3.45Å; S63-Y116 VanDerWaalsContact O-CA 3.3Å; S63-Y116 WeakPolarHBondContact O-CA 3.41Å; T64-Y116 HydrophobicContact CG2-CD1 4.33Å; T64-Y116 HydrophobicContact CG2-CE1 3.74Å; T64-Y116 HydrophobicContact CG2-CE2 4.37Å; W89-Y116 HydrophobicContact CH2-CE1 4.46Å; W89-Y116 HydrophobicContact CZ2-CE1 4.38Å; I112-Y116 WeakPolarHBondContact CB-OH 3.05Å; I112-Y116 VanDerWaalsContact O-CE2 3.27Å; I112-Y116 WeakPolarHBondContact O-CE2 3.5Å; I112-Y116 PolarHBondContact O-OH 2.8Å; Y116-I133 CarbonylContact O-C 3.5Å; Y116-I133 VanDerWaalsContact O-CA 3.3Å; Y116-I133 WeakPolarHBondContact O-CA 3.27Å; Y116-L134 HydrophobicContact CD2-CD1 4.23Å; Y116-L134 HydrophobicContact CG-CD1 4.3Å; Y116-L134 PolarHBondContact N-O 3.18Å; Y116-L134 PolarHBondContact O-N 2.88Å; Y116-L136 HydrophobicContact CD2-CB 3.93Å; Y116-L136 HydrophobicContact CD2-CD2 4.47Å; Y116-L136 HydrophobicContact CE2-CB 3.89Å; Y116-L136 HydrophobicContact CE2-CD2 3.85Å
117	Q	96.9	Very high	94.2	Very high	37 Å²	37	35.7 Å²	35.7	17%	0.173	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.7	169.4	179.6	67.7	56.6	0	0	108.9	S63 S129 N132	S63-Q117 PolarHBondContact N-O 2.86Å; S63-Q117 PolarHBondContact O-N 3.18Å; S63-Q117 PolarHBondContact OG-O 3Å; Q117-S129 PolarHBondContact NE2-O 3.45Å; Q117-N132 PolarHBondContact NE2-O 3.33Å; Q117-N132 VanDerWaalsContact NE2-O 3.15Å
118	L	96.9	Very high	93.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	128.4	175.7	174.3	61.3	0	0	0	110.8	V13 F15 L44 L60 E61 F62 V120 N132	V13-L118 HydrophobicContact CG1-CD2 3.99Å; F15-L118 HydrophobicContact CE1-CD2 3.87Å; F15-L118 HydrophobicContact CZ-CB 4.23Å; F15-L118 HydrophobicContact CZ-CD2 3.77Å; L44-L118 HydrophobicContact CD2-CD2 4.04Å; L60-L118 HydrophobicContact CB-CD1 4.12Å; L60-L118 HydrophobicContact CD2-CD1 4.26Å; E61-L118 CarbonylContact O-C 3.57Å; E61-L118 WeakPolarHBondContact O-CA 3.47Å; F62-L118 HydrophobicContact CD1-CB 4.3Å; F62-L118 HydrophobicContact CD1-CD1 4.02Å; F62-L118 HydrophobicContact CD2-CD1 4.28Å; F62-L118 HydrophobicContact CE1-CB 4.24Å; F62-L118 HydrophobicContact CE1-CD1 3.75Å; F62-L118 HydrophobicContact CE1-CD2 4.17Å; F62-L118 HydrophobicContact CE1-CG 4.27Å; F62-L118 HydrophobicContact CE2-CD1 4.02Å; F62-L118 HydrophobicContact CG-CD1 4.28Å; F62-L118 HydrophobicContact CZ-CD1 3.75Å; F62-L118 HydrophobicContact CZ-CD2 4.35Å; L118-V120 HydrophobicContact CD1-CG2 4.37Å; L118-V120 HydrophobicContact CD2-CG2 4.36Å; L118-V120 HydrophobicContact CG-CG2 4.19Å; L118-N132 HydrophobicContact CB-CB 4.35Å; L118-N132 PolarHBondContact N-O 3.24Å; L118-N132 WeakPolarHBondContact O-CB 3.35Å
119	H	95.8	Very high	93.1	Very high	39 Å²	39	43.3 Å²	43.3	18%	0.181	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	141	162.5	-57.1	144.2	0	0	0	109.9	E61 I126 L127	E61-H119 HydrophobicContact CB-CB 4.28Å; E61-H119 PolarHBondContact N-O 3.25Å; E61-H119 PolarHBondContact O-N 3.28Å; H119-I126 HydrophobicContact CB-CG2 4.2Å; H119-L127 WeakPolarHBondContact CA-O 3.28Å
120	V	95.3	Very high	92.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121.4	175.6	-169.5	0	0	0	0	109	V10 V13 L46 L58 K59 L60 L118 L127	V10-V120 HydrophobicContact CB-CG1 4.38Å; V10-V120 HydrophobicContact CG2-CB 4.21Å; V10-V120 HydrophobicContact CG2-CG1 3.6Å; V13-V120 HydrophobicContact CG2-CG2 3.73Å; L46-V120 HydrophobicContact CD1-CG1 4.24Å; L46-V120 HydrophobicContact CD2-CG1 4.41Å; L46-V120 HydrophobicContact CD2-CG2 4.08Å; L58-V120 HydrophobicContact CD1-CG1 3.6Å; K59-V120 WeakPolarHBondContact O-CA 3.49Å; L60-V120 HydrophobicContact CD2-CB 4.41Å; L60-V120 HydrophobicContact CD2-CG1 3.94Å; L60-V120 HydrophobicContact CD2-CG2 3.79Å; L118-V120 HydrophobicContact CD1-CG2 4.37Å; L118-V120 HydrophobicContact CD2-CG2 4.36Å; L118-V120 HydrophobicContact CG-CG2 4.19Å; V120-L127 PolarHBondContact N-O 3.06Å; V120-L127 PolarHBondContact O-N 3.16Å
121	K	93.6	Very high	91.8	Very high	63 Å²	63	54.3 Å²	54.3	27%	0.274	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.1	-178.9	-61.7	-165.8	168.1	160.3	0	111	L58 K59 E61 H125 I126	L58-K121 CarbonylContact C-O 3.57Å; L58-K121 WeakPolarHBondContact CA-O 3.34Å; K59-K121 HydrophobicContact CB-CB 4.31Å; K59-K121 PolarHBondContact N-O 3.1Å; K59-K121 PolarHBondContact O-N 2.82Å; E61-K121 HydrophobicContact CG-CD 4.42Å; E61-K121 VanDerWaalsContact OE1-CD 3.31Å; E61-K121 WeakPolarHBondContact OE1-CD 3.27Å; E61-K121 WeakPolarHBondContact OE1-CE 3.43Å; E61-K121 IonicContact OE1-NZ 3.62Å; E61-K121 PolarHBondContact OE1-NZ 3.49Å; E61-K121 WeakPolarHBondContact OE2-CE 3.29Å; E61-K121 IonicContact OE2-NZ 3.37Å; E61-K121 PolarHBondContact OE2-NZ 2.89Å; K121-H125 WeakPolarHBondContact CA-O 3.38Å; K121-I126 HydrophobicContact CD-CD1 4.31Å; K121-I126 HydrophobicContact CD-CG1 4.22Å; K121-I126 HydrophobicContact CG-CB 4.44Å; K121-I126 HydrophobicContact CG-CG1 3.97Å; K121-I126 HydrophobicContact CG-CG2 4.04Å
122	T	91.6	Very high	91.5	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.012	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	102.9	173.7	52.3	0	0	0	0	110	L8 V10 E57 L58 K124 H125	L8-T122 HydrophobicContact CD2-CG2 3.73Å; L8-T122 HydrophobicContact CG-CG2 4.14Å; L8-T122 VanDerWaalsContact O-CB 3.31Å; L8-T122 WeakPolarHBondContact O-CB 3.31Å; L8-T122 PolarHBondContact O-OG1 2.73Å; V10-T122 HydrophobicContact CG2-CG2 3.65Å; E57-T122 VanDerWaalsContact O-CA 3.29Å; E57-T122 WeakPolarHBondContact O-CA 3.49Å; L58-T122 HydrophobicContact CD1-CG2 3.61Å; T122-K124 PolarHBondContact O-N 3.02Å; T122-H125 PolarHBondContact N-O 2.8Å; T122-H125 WeakPolarHBondContact O-CB 3.29Å; T122-H125 PolarHBondContact O-N 2.73Å
123	G	86.6	Confident	91.4	Very high	47 Å²	47	55.4 Å²	55.4	49%	0.485	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	-118.4	-172.5	0	0	0	0	0	111.5
124	K	84.8	Confident	91.4	Very high	192 Å²	192	55.4 Å²	55.4	84%	0.835	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-12	176.2	-56.5	-179.9	179.5	178.6	0	113.1	E7 T122	E7-K124 VanDerWaalsContact OE1-CB 3.29Å; E7-K124 WeakPolarHBondContact OE1-CB 3.4Å; E7-K124 PolarHBondContact OE1-N 3.44Å; T122-K124 PolarHBondContact O-N 3.02Å
125	H	89.4	Confident	91.4	Very high	47 Å²	47	56 Å²	56	22%	0.218	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	136.5	178	-179.4	74.5	0	0	0	110.9	K9 V10 K121 T122	K9-H125 HydrophobicContact CG-CB 4.17Å; V10-H125 PolarHBondContact O-NE2 2.9Å; K121-H125 WeakPolarHBondContact CA-O 3.38Å; T122-H125 PolarHBondContact N-O 2.8Å; T122-H125 WeakPolarHBondContact O-CB 3.29Å; T122-H125 PolarHBondContact O-N 2.73Å
126	I	90.6	Very high	91.5	Very high	67 Å²	67	51.4 Å²	51.4	34%	0.344	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	113.5	173.8	-51	175	0	0	0	107	H119 K121 K128	H119-I126 HydrophobicContact CB-CG2 4.2Å; K121-I126 HydrophobicContact CD-CD1 4.31Å; K121-I126 HydrophobicContact CD-CG1 4.22Å; K121-I126 HydrophobicContact CG-CB 4.44Å; K121-I126 HydrophobicContact CG-CG1 3.97Å; K121-I126 HydrophobicContact CG-CG2 4.04Å; I126-K128 HydrophobicContact CG2-CD 4.39Å; I126-K128 HydrophobicContact CG2-CG 3.7Å; I126-K128 PolarHBondContact O-N 2.9Å
127	L	90.8	Very high	91.6	Very high	29 Å²	29	51.4 Å²	51.4	15%	0.152	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	107.5	169	-176.4	64.6	0	0	0	108.7	V10 V13 H119 V120	V10-L127 HydrophobicContact CB-CB 4.31Å; V10-L127 HydrophobicContact CB-CD2 4.05Å; V10-L127 HydrophobicContact CG1-CD2 3.66Å; V13-L127 HydrophobicContact CG2-CD2 3.86Å; H119-L127 WeakPolarHBondContact CA-O 3.28Å; V120-L127 PolarHBondContact N-O 3.06Å; V120-L127 PolarHBondContact O-N 3.16Å
128	K	84.9	Confident	91.7	Very high	138 Å²	138	49.6 Å²	49.6	60%	0.6	25%	0.245	S	C	*	.			trans	-110.4	124.2	168.9	-56	-172.9	-179.1	176.6	0	107.9	I126	I126-K128 HydrophobicContact CG2-CD 4.39Å; I126-K128 HydrophobicContact CG2-CG 3.7Å; I126-K128 PolarHBondContact O-N 2.9Å
129	S	83.9	Confident	91.8	Very high	36 Å²	36	49.7 Å²	49.7	25%	0.252	25%	0.245	S	C	.	.			trans	-138	135.3	173.5	175.5	0	0	0	0	108.4	Q117 E131 N132	Q117-S129 PolarHBondContact NE2-O 3.45Å; S129-E131 PolarHBondContact O-N 2.76Å; S129-E131 PolarHBondContact OG-N 2.72Å; S129-E131 VanDerWaalsContact OG-N 3.11Å; S129-N132 PolarHBondContact O-N 3.11Å; S129-N132 VanDerWaalsContact O-N 3.1Å
130	E	79.6	Confident	91.9	Very high	176 Å²	176	47.8 Å²	47.8	82%	0.822	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-17	172.4	-62.3	-170.6	168.5	0	0	112	I133	E130-I133 WeakPolarHBondContact O-CD1 3.39Å; E130-I133 WeakPolarHBondContact O-CG1 3.29Å
131	E	83.1	Confident	92.1	Very high	160 Å²	160	49.6 Å²	49.6	75%	0.748	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-13	176.9	-57.4	-175.7	164.3	0	0	113	S129 I133	S129-E131 PolarHBondContact O-N 2.76Å; S129-E131 PolarHBondContact OG-N 2.72Å; S129-E131 VanDerWaalsContact OG-N 3.11Å; E131-I133 PolarHBondContact O-N 2.87Å
132	N	91.8	Very high	92.3	Very high	11 Å²	11	47 Å²	47	6%	0.059	23%	0.233	C	C	.	.			trans	-81	51.3	-179.2	-69.5	-7.8	0	0	0	112	Q117 L118 S129	Q117-N132 PolarHBondContact NE2-O 3.33Å; Q117-N132 VanDerWaalsContact NE2-O 3.15Å; L118-N132 HydrophobicContact CB-CB 4.35Å; L118-N132 PolarHBondContact N-O 3.24Å; L118-N132 WeakPolarHBondContact O-CB 3.35Å; S129-N132 PolarHBondContact O-N 3.11Å; S129-N132 VanDerWaalsContact O-N 3.1Å
133	I	95.4	Very high	92.6	Very high	16 Å²	16	53.9 Å²	53.9	8%	0.082	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	144.5	-179	-66.4	162.7	0	0	0	109.6	P34 K115 Y116 E130 E131 Y135	P34-I133 WeakPolarHBondContact CD-O 3.48Å; P34-I133 VanDerWaalsContact CG-O 3.25Å; P34-I133 WeakPolarHBondContact CG-O 3.43Å; K115-I133 HydrophobicContact CD-CG2 4.1Å; K115-I133 HydrophobicContact CG-CG2 3.67Å; K115-I133 VanDerWaalsContact NZ-CD1 3.3Å; Y116-I133 CarbonylContact O-C 3.5Å; Y116-I133 VanDerWaalsContact O-CA 3.3Å; Y116-I133 WeakPolarHBondContact O-CA 3.27Å; E130-I133 WeakPolarHBondContact O-CD1 3.39Å; E130-I133 WeakPolarHBondContact O-CG1 3.29Å; E131-I133 PolarHBondContact O-N 2.87Å; I133-Y135 HydrophobicContact CG2-CE1 4.24Å
134	L	97.2	Very high	93.2	Very high	1 Å²	1	58 Å²	58	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	157.3	165.9	68.8	87.3	0	0	0	111.3	F15 P34 F36 F42 F62 Y116 L136	F15-L134 HydrophobicContact CE1-CB 4.43Å; F15-L134 HydrophobicContact CE1-CD2 3.82Å; F15-L134 HydrophobicContact CZ-CD2 4.41Å; P34-L134 HydrophobicContact CG-CB 3.83Å; P34-L134 WeakPolarHBondContact O-CA 3.41Å; F36-L134 HydrophobicContact CD2-CB 4.18Å; F36-L134 HydrophobicContact CD2-CD1 4.17Å; F36-L134 HydrophobicContact CD2-CD2 4.17Å; F36-L134 HydrophobicContact CD2-CG 4.41Å; F36-L134 HydrophobicContact CE2-CB 4.06Å; F36-L134 HydrophobicContact CE2-CD2 4.09Å; F42-L134 HydrophobicContact CE2-CD2 4.33Å; F42-L134 HydrophobicContact CZ-CD2 4.26Å; F62-L134 HydrophobicContact CD1-CD2 3.98Å; F62-L134 HydrophobicContact CE1-CD2 3.67Å; Y116-L134 HydrophobicContact CD2-CD1 4.23Å; Y116-L134 HydrophobicContact CG-CD1 4.3Å; Y116-L134 PolarHBondContact N-O 3.18Å; Y116-L134 PolarHBondContact O-N 2.88Å; L134-L136 HydrophobicContact CD1-CB 4.14Å
135	Y	98.3	Very high	93.8	Very high	17 Å²	17	48.9 Å²	48.9	7%	0.067	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	132.5	167.7	-63.5	-24.5	0	0	0	110.6	N33 P34 V35 F36 G114 K115 I133 L189 D190 I193	N33-Y135 HydrophobicContact CB-CD2 4.3Å; N33-Y135 HydrophobicContact CB-CE2 4.12Å; N33-Y135 PolarHBondContact ND2-OH 3.48Å; P34-Y135 PolarHBondContact O-N 3.35Å; V35-Y135 HydrophobicContact CG2-CD2 4.23Å; F36-Y135 PolarHBondContact N-O 2.84Å; G114-Y135 WeakPolarHBondContact O-CA 3.42Å; K115-Y135 HydrophobicContact CB-CD1 4.16Å; K115-Y135 HydrophobicContact CB-CE1 3.97Å; K115-Y135 HydrophobicContact CD-CE1 4.5Å; K115-Y135 HydrophobicContact CG-CD1 4.44Å; K115-Y135 HydrophobicContact CG-CE1 4.04Å; I133-Y135 HydrophobicContact CG2-CE1 4.24Å; Y135-L189 HydrophobicContact CD2-CD2 3.73Å; Y135-L189 HydrophobicContact CD2-CG 4.08Å; Y135-L189 HydrophobicContact CE2-CD2 4.39Å; Y135-L189 HydrophobicContact CE2-CG 4.43Å; Y135-D190 VanDerWaalsContact CE2-OD1 3.31Å; Y135-D190 WeakPolarHBondContact CE2-OD1 3.43Å; Y135-D190 PolarHBondContact OH-OD1 3.23Å; Y135-I193 HydrophobicContact CD1-CG1 4.4Å; Y135-I193 HydrophobicContact CD1-CG2 4.46Å; Y135-I193 HydrophobicContact CD2-CG1 4.31Å; Y135-I193 HydrophobicContact CE1-CG1 4.47Å; Y135-I193 HydrophobicContact CE1-CG2 4.18Å; Y135-I193 HydrophobicContact CE2-CG1 4.37Å; Y135-I193 HydrophobicContact CG-CD1 4.38Å; Y135-I193 HydrophobicContact CG-CG1 4.32Å
136	L	98.6	Very high	94.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	122	175.9	-164.1	66.8	0	0	0	109.7	F36 R38 W89 A111 L113 G114 Y116 L134	F36-L136 HydrophobicContact CB-CD1 4.03Å; F36-L136 WeakPolarHBondContact O-CA 3.45Å; R38-L136 HydrophobicContact CB-CD1 4.36Å; R38-L136 HydrophobicContact CB-CD2 4.24Å; R38-L136 HydrophobicContact CB-CG 4.15Å; W89-L136 HydrophobicContact CH2-CD2 3.95Å; W89-L136 HydrophobicContact CZ2-CD2 3.94Å; A111-L136 HydrophobicContact CB-CD2 3.49Å; A111-L136 VanDerWaalsContact CB-CD2 3.49Å; L113-L136 WeakPolarHBondContact CA-O 3.35Å; G114-L136 PolarHBondContact N-O 2.99Å; G114-L136 PolarHBondContact O-N 3.26Å; Y116-L136 HydrophobicContact CD2-CB 3.93Å; Y116-L136 HydrophobicContact CD2-CD2 4.47Å; Y116-L136 HydrophobicContact CE2-CB 3.89Å; Y116-L136 HydrophobicContact CE2-CD2 3.85Å; L134-L136 HydrophobicContact CD1-CB 4.14Å
137	L	98.8	Very high	94.6	Very high	1 Å²	1	45 Å²	45	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	168.9	-174.9	-51.9	-177.3	0	0	0	111.8	F29 V35 F36 R37 R38 L189 I193 A281	F29-L137 HydrophobicContact CE2-CD1 3.94Å; F29-L137 HydrophobicContact CZ-CD1 4.03Å; V35-L137 HydrophobicContact CG1-CD1 3.42Å; V35-L137 VanDerWaalsContact CG1-CD1 3.42Å; V35-L137 HydrophobicContact CG1-CG 3.85Å; F36-L137 PolarHBondContact O-N 2.73Å; R37-L137 WeakPolarHBondContact CA-O 3.33Å; R38-L137 WeakPolarHBondContact CG-O 3.49Å; R38-L137 PolarHBondContact N-O 3.15Å; L137-L189 HydrophobicContact CD2-CD1 4.05Å; L137-I193 HydrophobicContact CD2-CD1 4.24Å; L137-A281 WeakPolarHBondContact CD1-O 3.48Å
138	C	98.9	Very high	95	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.215	C	C	.	.			trans	-61.3	152.7	167.2	-80	0	0	0	0	111	R37 L113 V147 L282 G283 I284	R37-C138 PolarHBondContact NH1-O 3.03Å; L113-C138 WeakPolarHBondContact CD1-SG 3.38Å; L113-C138 HydrophobicContact CD2-CB 4.47Å; L113-C138 VanDerWaalsContact CD2-N 3.3Å; C138-V147 HydrophobicContact CB-CG1 4.47Å; C138-V147 HydrophobicContact CB-CG2 3.69Å; C138-L282 WeakPolarHBondContact CB-O 3.27Å; C138-L282 PolarHBondContact N-O 2.84Å; C138-G283 WeakPolarHBondContact CB-O 3.45Å; C138-I284 HydrophobicContact CB-CG1 4.28Å
139	N	98.8	Very high	95.7	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	19%	0.186	C	C	.	.			trans	-123.6	92	-175.9	-162.4	-8.2	0	0	0	113.5	R37 R38 Q40 W141 C142 D145	R37-N139 HydrophobicContact CB-CB 3.69Å; R38-N139 HydrophobicContact CG-CB 4.29Å; R38-N139 WeakPolarHBondContact O-CB 3.22Å; R38-N139 PolarHBondContact O-ND2 3.11Å; Q40-N139 WeakPolarHBondContact CB-ND2 3.39Å; Q40-N139 PolarHBondContact OE1-ND2 3.18Å; N139-W141 PolarHBondContact O-N 3.16Å; N139-W141 VanDerWaalsContact O-N 3.16Å; N139-W141 WeakPolarHBondContact OD1-CB 3.29Å; N139-W141 PolarHBondContact OD1-N 2.86Å; N139-C142 HydrophobicContact CB-CB 3.83Å; N139-C142 PolarHBondContact O-N 3.3Å; N139-C142 VanDerWaalsContact O-N 3.14Å; N139-C142 PolarHBondContact OD1-N 2.95Å; N139-D145 WeakPolarHBondContact CA-OD2 3.49Å; N139-D145 WeakPolarHBondContact CB-OD2 3.47Å; N139-D145 PolarHBondContact N-OD2 3.09Å; N139-D145 VanDerWaalsContact O-CB 3.27Å; N139-D145 WeakPolarHBondContact O-CB 3.31Å
140	P	98.8	Very high	96.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-6.2	177	24.8	-26.1	0	0	0	113.6	V147 F148 M149 R155 I159 G283 P285	P140-V147 WeakPolarHBondContact CA-O 3.5Å; P140-V147 HydrophobicContact CB-CG2 4.32Å; P140-V147 WeakPolarHBondContact CB-O 3.16Å; P140-F148 VanDerWaalsContact O-CD2 3.31Å; P140-F148 WeakPolarHBondContact O-CD2 3.33Å; P140-M149 HydrophobicContact CB-CB 4.35Å; P140-M149 PolarHBondContact O-N 3.27Å; P140-R155 HydrophobicContact CB-CG 4.42Å; P140-I159 HydrophobicContact CB-CG1 4.48Å; P140-I159 HydrophobicContact CG-CD1 3.85Å; P140-I159 HydrophobicContact CG-CG1 3.74Å; P140-G283 WeakPolarHBondContact CD-O 3.3Å; P140-P285 HydrophobicContact CB-CG 3.74Å; P140-P285 HydrophobicContact CG-CG 4.33Å
141	W	98.8	Very high	97.2	Very high	37 Å²	37	36.5 Å²	36.5	14%	0.14	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-14.3	171.9	-68.5	-107.3	0	0	0	113.4	H25 N139 R155 I159 L160	H25-W141 HydrophobicContact CB-CH2 3.88Å; H25-W141 HydrophobicContact CB-CZ2 3.98Å; H25-W141 HydrophobicContact CB-CZ3 4.18Å; H25-W141 AromaticContact CD2-CD1 3.64Å; H25-W141 AromaticContact CD2-CD2 3.51Å; H25-W141 AromaticContact CD2-CE2 3.38Å; H25-W141 AromaticContact CD2-CG 3.8Å; H25-W141 AromaticContact CD2-CZ2 3.88Å; H25-W141 AromaticContact CD2-NE1 3.5Å; H25-W141 AromaticContact CE1-NE1 3.8Å; H25-W141 AromaticContact CG-CE2 3.78Å; H25-W141 AromaticContact CG-CZ2 3.79Å; H25-W141 AromaticContact NE2-CD1 3.33Å; H25-W141 VanDerWaalsContact NE2-CD1 3.33Å; H25-W141 AromaticContact NE2-CE2 3.72Å; H25-W141 AromaticContact NE2-CG 3.93Å; H25-W141 AromaticContact NE2-NE1 3.3Å; H25-W141 PolarHBondContact NE2-NE1 2.99Å; N139-W141 PolarHBondContact O-N 3.16Å; N139-W141 VanDerWaalsContact O-N 3.16Å; N139-W141 WeakPolarHBondContact OD1-CB 3.29Å; N139-W141 PolarHBondContact OD1-N 2.86Å; W141-R155 HydrophobicContact CZ2-CB 4.07Å; W141-R155 VanDerWaalsContact NE1-NH1 3.11Å; W141-I159 HydrophobicContact CH2-CB 4.22Å; W141-I159 HydrophobicContact CH2-CG2 3.75Å; W141-I159 HydrophobicContact CZ3-CG2 4.05Å; W141-L160 HydrophobicContact CH2-CD1 4.35Å; W141-L160 HydrophobicContact CH2-CD2 4.02Å; W141-L160 HydrophobicContact CH2-CG 4.11Å; W141-L160 HydrophobicContact CZ2-CD1 4.04Å; W141-L160 HydrophobicContact CZ2-CG 4.29Å
142	C	98.5	Very high	98	Very high	10 Å²	10	33.5 Å²	33.5	7%	0.068	17%	0.165	C	C	.	.			trans	-93.8	120.4	-178.5	171.9	0	0	0	0	110.6	N139 E144 D145 F148	N139-C142 HydrophobicContact CB-CB 3.83Å; N139-C142 PolarHBondContact O-N 3.3Å; N139-C142 VanDerWaalsContact O-N 3.14Å; N139-C142 PolarHBondContact OD1-N 2.95Å; C142-E144 PolarHBondContact O-N 3.28Å; C142-E144 PolarHBondContact SG-OE2 3.34Å; C142-D145 HydrophobicContact CB-CB 4.03Å; C142-D145 WeakPolarHBondContact O-CB 3.45Å; C142-D145 PolarHBondContact O-N 3.38Å; C142-F148 VanDerWaalsContact O-CB 3.27Å; C142-F148 WeakPolarHBondContact O-CB 3.34Å; C142-F148 WeakPolarHBondContact O-CD2 3.21Å
143	K	98.1	Very high	98.3	Very high	145 Å²	145	37 Å²	37	63%	0.63	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-31.1	-175.6	-71.6	179.3	178.6	177.8	0	113.6	D145 F148 K335	K143-D145 VanDerWaalsContact C-N 3.35Å; K143-F148 HydrophobicContact CG-CD1 4.39Å; K143-F148 HydrophobicContact CG-CD2 4.23Å; K143-F148 HydrophobicContact CG-CE1 3.93Å; K143-F148 HydrophobicContact CG-CE2 3.77Å; K143-F148 HydrophobicContact CG-CZ 3.61Å; K143-K335 PolarHBondContact O-NZ 3.2Å
144	E	97.8	Very high	98.4	Very high	135 Å²	135	38.3 Å²	38.3	63%	0.631	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-17.7	-179.4	-60.3	71.8	-154.8	0	0	112.3	P109 C142	P109-E144 HydrophobicContact CB-CB 3.75Å; P109-E144 HydrophobicContact CG-CB 3.6Å; P109-E144 HydrophobicContact CG-CG 4.42Å; C142-E144 PolarHBondContact O-N 3.28Å; C142-E144 PolarHBondContact SG-OE2 3.34Å
145	D	98.6	Very high	98.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-70	144.5	173.9	-161.1	-42.2	0	0	0	110.1	R38 N139 C142 K143 V147 F148	R38-D145 VanDerWaalsContact CG-OD2 3.29Å; R38-D145 WeakPolarHBondContact CG-OD2 3.38Å; R38-D145 IonicContact CZ-OD1 3.96Å; R38-D145 IonicContact CZ-OD2 3.24Å; R38-D145 IonicContact NE-OD1 3.89Å; R38-D145 IonicContact NE-OD2 3.89Å; R38-D145 PolarHBondContact NE-OD2 3.23Å; R38-D145 IonicContact NH2-OD1 2.73Å; R38-D145 PolarHBondContact NH2-OD1 3.49Å; R38-D145 IonicContact NH2-OD2 3.19Å; N139-D145 WeakPolarHBondContact CA-OD2 3.49Å; N139-D145 WeakPolarHBondContact CB-OD2 3.47Å; N139-D145 PolarHBondContact N-OD2 3.09Å; N139-D145 VanDerWaalsContact O-CB 3.27Å; N139-D145 WeakPolarHBondContact O-CB 3.31Å; C142-D145 HydrophobicContact CB-CB 4.03Å; C142-D145 WeakPolarHBondContact O-CB 3.45Å; C142-D145 PolarHBondContact O-N 3.38Å; K143-D145 VanDerWaalsContact C-N 3.35Å; D145-V147 PolarHBondContact O-N 2.91Å; D145-V147 WeakPolarHBondContact OD1-CG2 3.33Å; D145-V147 PolarHBondContact OD1-N 3.32Å; D145-F148 WeakPolarHBondContact O-CB 3.42Å; D145-F148 PolarHBondContact O-N 3.47Å
146	T	98.2	Very high	98.5	Very high	33 Å²	33	43.2 Å²	43.2	20%	0.202	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-18.7	176.1	48.4	0	0	0	0	112.7	R38 P209 M334 K335	R38-T146 PolarHBondContact NH2-OG1 2.81Å; T146-P209 WeakPolarHBondContact OG1-CD 3.39Å; T146-P209 VanDerWaalsContact OG1-CG 3.29Å; T146-P209 WeakPolarHBondContact OG1-CG 3.29Å; T146-M334 CarbonylContact O-C 3.49Å; T146-M334 WeakPolarHBondContact O-CA 3.35Å; T146-K335 HydrophobicContact CG2-CB 4.41Å; T146-K335 PolarHBondContact O-N 3.43Å
147	V	98.8	Very high	98.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	11.6	174.5	-56.5	0	0	0	0	114.3	C138 P140 D145 M149 P209 I284 M334	C138-V147 HydrophobicContact CB-CG1 4.47Å; C138-V147 HydrophobicContact CB-CG2 3.69Å; P140-V147 WeakPolarHBondContact CA-O 3.5Å; P140-V147 HydrophobicContact CB-CG2 4.32Å; P140-V147 WeakPolarHBondContact CB-O 3.16Å; D145-V147 PolarHBondContact O-N 2.91Å; D145-V147 WeakPolarHBondContact OD1-CG2 3.33Å; D145-V147 PolarHBondContact OD1-N 3.32Å; V147-M149 PolarHBondContact O-N 3.05Å; V147-P209 HydrophobicContact CG1-CB 3.8Å; V147-P209 HydrophobicContact CG1-CG 3.51Å; V147-I284 HydrophobicContact CG1-CG1 4.25Å; V147-I284 HydrophobicContact CG1-CG2 4.37Å; V147-M334 HydrophobicContact CG1-CB 4.38Å
148	F	98.8	Very high	98.5	Very high	43 Å²	43	43.5 Å²	43.5	19%	0.189	21%	0.212	C	C	.	.			trans	-52.3	124	-179.8	179	-119	0	0	0	111.9	P140 C142 K143 D145 P150 W333	P140-F148 VanDerWaalsContact O-CD2 3.31Å; P140-F148 WeakPolarHBondContact O-CD2 3.33Å; C142-F148 VanDerWaalsContact O-CB 3.27Å; C142-F148 WeakPolarHBondContact O-CB 3.34Å; C142-F148 WeakPolarHBondContact O-CD2 3.21Å; K143-F148 HydrophobicContact CG-CD1 4.39Å; K143-F148 HydrophobicContact CG-CD2 4.23Å; K143-F148 HydrophobicContact CG-CE1 3.93Å; K143-F148 HydrophobicContact CG-CE2 3.77Å; K143-F148 HydrophobicContact CG-CZ 3.61Å; D145-F148 WeakPolarHBondContact O-CB 3.42Å; D145-F148 PolarHBondContact O-N 3.47Å; F148-P150 HydrophobicContact CE1-CB 3.81Å; F148-P150 HydrophobicContact CE1-CG 4.5Å; F148-P150 HydrophobicContact CZ-CB 3.96Å; F148-W333 PolarHBondContact O-NE1 3.21Å
149	M	98.6	Very high	98.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.212	C	C	.	.			trans	-118.5	110.4	176.7	177.8	171.1	-85.4	0	0	108.2	P140 V147 D151 E154 R155 Y158 P285 W333 W346	P140-M149 HydrophobicContact CB-CB 4.35Å; P140-M149 PolarHBondContact O-N 3.27Å; V147-M149 PolarHBondContact O-N 3.05Å; M149-D151 PolarHBondContact O-N 3.08Å; M149-E154 HydrophobicContact CE-CB 4.48Å; M149-E154 HydrophobicContact CG-CB 4.1Å; M149-E154 VanDerWaalsContact SD-C 3.6Å; M149-E154 HydrophobicContact SD-CB 3.53Å; M149-E154 VanDerWaalsContact SD-CB 3.53Å; M149-R155 HydrophobicContact CB-CG 3.89Å; M149-R155 HydrophobicContact CG-CG 3.98Å; M149-R155 VanDerWaalsContact O-CD 3.26Å; M149-R155 WeakPolarHBondContact O-CD 3.15Å; M149-R155 PolarHBondContact O-NE 3.12Å; M149-R155 HydrophobicContact SD-CG 4.12Å; M149-Y158 HydrophobicContact CE-CD2 3.78Å; M149-Y158 HydrophobicContact CE-CE2 4.49Å; M149-Y158 HydrophobicContact SD-CD2 3.85Å; M149-P285 HydrophobicContact CB-CG 4.24Å; M149-P285 HydrophobicContact CE-CB 3.44Å; M149-P285 VanDerWaalsContact CE-CB 3.44Å; M149-P285 HydrophobicContact CE-CG 3.97Å; M149-P285 HydrophobicContact SD-CB 3.87Å; M149-P285 HydrophobicContact SD-CG 4.16Å; M149-W333 HydrophobicContact CE-CB 3.73Å; M149-W333 HydrophobicContact CE-CD2 3.93Å; M149-W333 HydrophobicContact CE-CE3 4.39Å; M149-W333 HydrophobicContact CE-CG 3.62Å; M149-W346 HydrophobicContact CE-CH2 3.93Å; M149-W346 HydrophobicContact CE-CZ2 3.95Å
150	P	97.9	Very high	98.5	Very high	82 Å²	82	45 Å²	45	53%	0.532	22%	0.22	S	C	.	.			trans	-68.6	-33.7	-169.9	24.8	-33.3	0	0	0	113.4	F148 R155	F148-P150 HydrophobicContact CE1-CB 3.81Å; F148-P150 HydrophobicContact CE1-CG 4.5Å; F148-P150 HydrophobicContact CZ-CB 3.96Å; P150-R155 PolarHBondContact O-NH2 3.2Å
151	D	98.5	Very high	98.4	Very high	75 Å²	75	46.7 Å²	46.7	40%	0.401	23%	0.229	S	C	.	.			trans	-78	131.7	-176.3	-172	-82.5	0	0	0	111.7	M149 D153 E154 R155	M149-D151 PolarHBondContact O-N 3.08Å; D151-D153 WeakPolarHBondContact OD1-CA 3.33Å; D151-D153 WeakPolarHBondContact OD1-CB 3.35Å; D151-D153 PolarHBondContact OD1-N 2.77Å; D151-E154 HydrophobicContact CB-CB 3.95Å; D151-E154 HydrophobicContact CB-CG 3.86Å; D151-E154 PolarHBondContact OD1-N 2.94Å; D151-R155 WeakPolarHBondContact O-CG 3.44Å; D151-R155 PolarHBondContact O-N 3.29Å; D151-R155 VanDerWaalsContact O-N 3.16Å; D151-R155 PolarHBondContact O-NE 3.44Å; D151-R155 VanDerWaalsContact O-NE 3.08Å
152	E	98.2	Very high	98.3	Very high	96 Å²	96	46 Å²	46	45%	0.449	23%	0.228	S	C	.	.	H	α-helix	trans	-73.8	-36.3	-178.9	-73.3	-67.8	161	0	0	112.2	R155 K156	E152-R155 VanDerWaalsContact CD-NH1 3.25Å; E152-R155 PolarHBondContact O-N 2.73Å; E152-R155 IonicContact OE1-CZ 2.99Å; E152-R155 IonicContact OE1-NH1 2.94Å; E152-R155 PolarHBondContact OE1-NH1 2.65Å; E152-R155 IonicContact OE1-NH2 3.71Å; E152-R155 PolarHBondContact OE1-NH2 2.69Å; E152-R155 IonicContact OE2-CZ 2.84Å; E152-R155 IonicContact OE2-NE 3.61Å; E152-R155 IonicContact OE2-NH1 3.89Å; E152-R155 PolarHBondContact OE2-NH1 3.32Å; E152-R155 IonicContact OE2-NH2 2.68Å; E152-K156 WeakPolarHBondContact O-CG 3.44Å; E152-K156 PolarHBondContact O-N 3.34Å
153	D	98.6	Very high	98.2	Very high	86 Å²	86	46.2 Å²	46.2	46%	0.46	23%	0.229	S	C	.	.	H	α-helix	trans	-74.9	-34.3	-179	-69.3	-27.8	0	0	0	111	D151 K156 E157 V426	D151-D153 WeakPolarHBondContact OD1-CA 3.33Å; D151-D153 WeakPolarHBondContact OD1-CB 3.35Å; D151-D153 PolarHBondContact OD1-N 2.77Å; D153-K156 WeakPolarHBondContact O-CB 3.19Å; D153-K156 PolarHBondContact O-N 2.83Å; D153-K156 IonicContact OD1-NZ 3.5Å; D153-K156 PolarHBondContact OD1-NZ 2.95Å; D153-E157 PolarHBondContact O-N 2.98Å; D153-V426 HydrophobicContact CB-CG1 3.83Å; D153-V426 WeakPolarHBondContact O-CG1 3.3Å
154	E	98.7	Very high	98.1	Very high	42 Å²	42	39.3 Å²	39.3	20%	0.196	20%	0.199	C	C	.	.	H	α-helix	trans	-63.7	-41.2	167.9	-66.5	-160.6	142.7	0	0	111.8	M149 D151 K156 E157 Y158 V426	M149-E154 HydrophobicContact CE-CB 4.48Å; M149-E154 HydrophobicContact CG-CB 4.1Å; M149-E154 VanDerWaalsContact SD-C 3.6Å; M149-E154 HydrophobicContact SD-CB 3.53Å; M149-E154 VanDerWaalsContact SD-CB 3.53Å; D151-E154 HydrophobicContact CB-CB 3.95Å; D151-E154 HydrophobicContact CB-CG 3.86Å; D151-E154 PolarHBondContact OD1-N 2.94Å; E154-K156 VanDerWaalsContact C-N 3.34Å; E154-K156 PolarHBondContact O-N 2.87Å; E154-E157 PolarHBondContact O-N 3.09Å; E154-Y158 HydrophobicContact CB-CD2 3.71Å; E154-Y158 HydrophobicContact CB-CE2 3.68Å; E154-Y158 HydrophobicContact CG-CD2 4.31Å; E154-Y158 HydrophobicContact CG-CE2 3.75Å; E154-Y158 WeakPolarHBondContact O-CB 3.25Å; E154-Y158 WeakPolarHBondContact O-CD2 3.47Å; E154-Y158 PolarHBondContact O-N 2.87Å; E154-V426 HydrophobicContact CG-CG2 4.16Å
155	R	98.7	Very high	97.9	Very high	14 Å²	14	33.1 Å²	33.1	5%	0.053	17%	0.171	C	C	.	.	H	α-helix	trans	-62.4	-40.9	172.5	-82	177.4	-79.7	162.7	-9.9	112.1	P140 W141 M149 P150 D151 E152 E157 I159 L160	P140-R155 HydrophobicContact CB-CG 4.42Å; W141-R155 HydrophobicContact CZ2-CB 4.07Å; W141-R155 VanDerWaalsContact NE1-NH1 3.11Å; M149-R155 HydrophobicContact CB-CG 3.89Å; M149-R155 HydrophobicContact CG-CG 3.98Å; M149-R155 VanDerWaalsContact O-CD 3.26Å; M149-R155 WeakPolarHBondContact O-CD 3.15Å; M149-R155 PolarHBondContact O-NE 3.12Å; M149-R155 HydrophobicContact SD-CG 4.12Å; P150-R155 PolarHBondContact O-NH2 3.2Å; D151-R155 WeakPolarHBondContact O-CG 3.44Å; D151-R155 PolarHBondContact O-N 3.29Å; D151-R155 VanDerWaalsContact O-N 3.16Å; D151-R155 PolarHBondContact O-NE 3.44Å; D151-R155 VanDerWaalsContact O-NE 3.08Å; E152-R155 VanDerWaalsContact CD-NH1 3.25Å; E152-R155 PolarHBondContact O-N 2.73Å; E152-R155 IonicContact OE1-CZ 2.99Å; E152-R155 IonicContact OE1-NH1 2.94Å; E152-R155 PolarHBondContact OE1-NH1 2.65Å; E152-R155 IonicContact OE1-NH2 3.71Å; E152-R155 PolarHBondContact OE1-NH2 2.69Å; E152-R155 IonicContact OE2-CZ 2.84Å; E152-R155 IonicContact OE2-NE 3.61Å; E152-R155 IonicContact OE2-NH1 3.89Å; E152-R155 PolarHBondContact OE2-NH1 3.32Å; E152-R155 IonicContact OE2-NH2 2.68Å; R155-E157 VanDerWaalsContact C-N 3.35Å; R155-E157 PolarHBondContact O-N 3.02Å; R155-I159 WeakPolarHBondContact O-CB 3.47Å; R155-I159 PolarHBondContact O-N 2.87Å; R155-I159 VanDerWaalsContact O-N 3.08Å; R155-L160 PolarHBondContact O-N 3.05Å
156	K	98.4	Very high	97.8	Very high	107 Å²	107	33.2 Å²	33.2	47%	0.465	17%	0.171	S	C	.	.	I	π-helix	trans	-60.2	-44.8	173.3	-70.6	170.5	-159.1	157.1	0	111.2	E152 D153 E154 L160 N161	E152-K156 WeakPolarHBondContact O-CG 3.44Å; E152-K156 PolarHBondContact O-N 3.34Å; D153-K156 WeakPolarHBondContact O-CB 3.19Å; D153-K156 PolarHBondContact O-N 2.83Å; D153-K156 IonicContact OD1-NZ 3.5Å; D153-K156 PolarHBondContact OD1-NZ 2.95Å; E154-K156 VanDerWaalsContact C-N 3.34Å; E154-K156 PolarHBondContact O-N 2.87Å; K156-L160 HydrophobicContact CG-CD1 4.49Å; K156-L160 CarbonylContact O-C 3.51Å; K156-L160 PolarHBondContact O-N 2.89Å; K156-N161 WeakPolarHBondContact O-CB 3.42Å; K156-N161 PolarHBondContact O-N 3.21Å
157	E	98.7	Very high	97.7	Very high	6 Å²	6	32.1 Å²	32.1	3%	0.028	16%	0.164	C	C	.	.	I	π-helix	trans	-73.5	-45.5	-178	-179.7	63.9	-158.8	0	0	113.6	D153 E154 R155 N161 R280 K424 V426 G427	D153-E157 PolarHBondContact O-N 2.98Å; E154-E157 PolarHBondContact O-N 3.09Å; R155-E157 VanDerWaalsContact C-N 3.35Å; R155-E157 PolarHBondContact O-N 3.02Å; E157-N161 WeakPolarHBondContact O-CB 3.46Å; E157-N161 PolarHBondContact OE2-ND2 2.85Å; E157-R280 VanDerWaalsContact O-CZ 3.28Å; E157-R280 PolarHBondContact O-NH1 2.82Å; E157-R280 PolarHBondContact O-NH2 2.96Å; E157-K424 WeakPolarHBondContact OE1-CD 3.39Å; E157-K424 IonicContact OE1-NZ 3.6Å; E157-K424 PolarHBondContact OE1-NZ 2.95Å; E157-K424 IonicContact OE2-NZ 3.03Å; E157-K424 PolarHBondContact OE2-NZ 2.95Å; E157-V426 HydrophobicContact CB-CB 4.44Å; E157-V426 HydrophobicContact CB-CG1 4.06Å; E157-V426 HydrophobicContact CB-CG2 4.41Å; E157-V426 HydrophobicContact CG-CG2 4.44Å; E157-G427 PolarHBondContact OE2-N 3.46Å
158	Y	98.8	Very high	97.3	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	17%	0.165	C	C	.	.	I	π-helix	trans	-97.8	-2.4	-167.5	-53.2	-48.2	0	0	0	113.9	M149 E154 R280 P285 A286 R287 W346 V426	M149-Y158 HydrophobicContact CE-CD2 3.78Å; M149-Y158 HydrophobicContact CE-CE2 4.49Å; M149-Y158 HydrophobicContact SD-CD2 3.85Å; E154-Y158 HydrophobicContact CB-CD2 3.71Å; E154-Y158 HydrophobicContact CB-CE2 3.68Å; E154-Y158 HydrophobicContact CG-CD2 4.31Å; E154-Y158 HydrophobicContact CG-CE2 3.75Å; E154-Y158 WeakPolarHBondContact O-CB 3.25Å; E154-Y158 WeakPolarHBondContact O-CD2 3.47Å; E154-Y158 PolarHBondContact O-N 2.87Å; Y158-R280 VanDerWaalsContact O-CG 3.3Å; Y158-R280 WeakPolarHBondContact O-CG 3.41Å; Y158-R280 PolarHBondContact O-NE 2.64Å; Y158-P285 WeakPolarHBondContact O-CA 3.44Å; Y158-A286 PolarHBondContact O-N 2.86Å; Y158-A286 VanDerWaalsContact O-N 3.1Å; Y158-R287 HydrophobicContact CD1-CB 3.82Å; Y158-R287 HydrophobicContact CE1-CB 3.83Å; Y158-R287 HydrophobicContact CE1-CG 4.42Å; Y158-W346 HydrophobicContact CD1-CH2 4.32Å; Y158-W346 AromaticContact CD2-CH2 3.72Å; Y158-W346 HydrophobicContact CD2-CH2 3.72Å; Y158-W346 AromaticContact CD2-CZ2 3.77Å; Y158-W346 HydrophobicContact CD2-CZ2 3.77Å; Y158-W346 AromaticContact CE2-CH2 3.98Å; Y158-W346 HydrophobicContact CE2-CH2 3.98Å; Y158-W346 AromaticContact CE2-CZ2 3.58Å; Y158-W346 HydrophobicContact CE2-CZ2 3.58Å; Y158-W346 AromaticContact CG-CH2 3.91Å; Y158-W346 HydrophobicContact CG-CH2 3.91Å; Y158-W346 HydrophobicContact CG-CZ2 4.36Å; Y158-V426 HydrophobicContact CE2-CG2 4.13Å; Y158-V426 VanDerWaalsContact OH-CG2 3.29Å; Y158-V426 WeakPolarHBondContact OH-CG2 3.38Å
159	I	98.7	Very high	96.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	I	π-helix	trans	-126.7	-53.5	171.3	-62.5	-73.8	0	0	0	111.4	P140 W141 R155 Q183 I284 P285	P140-I159 HydrophobicContact CB-CG1 4.48Å; P140-I159 HydrophobicContact CG-CD1 3.85Å; P140-I159 HydrophobicContact CG-CG1 3.74Å; W141-I159 HydrophobicContact CH2-CB 4.22Å; W141-I159 HydrophobicContact CH2-CG2 3.75Å; W141-I159 HydrophobicContact CZ3-CG2 4.05Å; R155-I159 WeakPolarHBondContact O-CB 3.47Å; R155-I159 PolarHBondContact O-N 2.87Å; R155-I159 VanDerWaalsContact O-N 3.08Å; I159-Q183 PolarHBondContact O-NE2 2.96Å; I159-I284 VanDerWaalsContact CD1-C 3.49Å; I159-P285 VanDerWaalsContact CD1-CA 3.48Å; I159-P285 HydrophobicContact CD1-CB 4.06Å; I159-P285 HydrophobicContact CD1-CG 3.9Å; I159-P285 HydrophobicContact CG1-CB 4.13Å; I159-P285 HydrophobicContact CG1-CG 4.07Å
160	L	98.3	Very high	96.2	Very high	33 Å²	33	30.9 Å²	30.9	17%	0.173	16%	0.162	C	C	.	.	I	π-helix	trans	-87.8	-21	-168.4	-58	177.4	0	0	0	114.2	H25 W141 R155 K156 D162 F184	H25-L160 HydrophobicContact CB-CD2 4.31Å; W141-L160 HydrophobicContact CH2-CD1 4.35Å; W141-L160 HydrophobicContact CH2-CD2 4.02Å; W141-L160 HydrophobicContact CH2-CG 4.11Å; W141-L160 HydrophobicContact CZ2-CD1 4.04Å; W141-L160 HydrophobicContact CZ2-CG 4.29Å; R155-L160 PolarHBondContact O-N 3.05Å; K156-L160 HydrophobicContact CG-CD1 4.49Å; K156-L160 CarbonylContact O-C 3.51Å; K156-L160 PolarHBondContact O-N 2.89Å; L160-D162 PolarHBondContact O-N 2.93Å; L160-F184 HydrophobicContact CD2-CZ 4.29Å; L160-F184 WeakPolarHBondContact O-CE2 3.36Å
161	N	97.6	Very high	95.7	Very high	36 Å²	36	27.6 Å²	27.6	19%	0.193	14%	0.141	C	C	.	.			trans	-76	119	178.1	-164.3	-8.8	0	0	0	109.4	K156 E157 T163 Q183 R280	K156-N161 WeakPolarHBondContact O-CB 3.42Å; K156-N161 PolarHBondContact O-N 3.21Å; E157-N161 WeakPolarHBondContact O-CB 3.46Å; E157-N161 PolarHBondContact OE2-ND2 2.85Å; N161-T163 VanDerWaalsContact CG-O 3.24Å; N161-T163 PolarHBondContact ND2-O 3.1Å; N161-T163 PolarHBondContact OD1-N 3.11Å; N161-T163 PolarHBondContact OD1-O 2.93Å; N161-T163 PolarHBondContact OD1-OG1 3.48Å; N161-Q183 PolarHBondContact O-NE2 2.86Å; N161-R280 PolarHBondContact O-NH1 3.15Å
162	D	96.4	Very high	95.1	Very high	22 Å²	22	28.9 Å²	28.9	12%	0.118	14%	0.141	C	C	.	.			trans	-94.8	3.3	-178.3	65.5	-10.1	0	0	0	113.2	L160 F181 G182 F184 L627	L160-D162 PolarHBondContact O-N 2.93Å; D162-F181 PolarHBondContact O-N 3.2Å; D162-G182 PolarHBondContact O-N 2.76Å; D162-F184 HydrophobicContact CB-CD2 4.05Å; D162-F184 HydrophobicContact CB-CE2 4.34Å; D162-L627 HydrophobicContact CB-CD1 3.99Å; D162-L627 WeakPolarHBondContact OD2-CD1 3.3Å
163	T	95.7	Very high	94.5	Very high	14 Å²	14	25.3 Å²	25.3	9%	0.086	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	153.9	173.6	70.3	0	0	0	0	111.2	N161 L627 K661	N161-T163 VanDerWaalsContact CG-O 3.24Å; N161-T163 PolarHBondContact ND2-O 3.1Å; N161-T163 PolarHBondContact OD1-N 3.11Å; N161-T163 PolarHBondContact OD1-O 2.93Å; N161-T163 PolarHBondContact OD1-OG1 3.48Å; T163-L627 HydrophobicContact CG2-CD1 4.05Å; T163-K661 HydrophobicContact CG2-CB 4.18Å; T163-K661 HydrophobicContact CG2-CD 4.46Å; T163-K661 PolarHBondContact OG1-NZ 2.92Å
164	G	95.5	Very high	94.1	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	-153.1	179.9	0	0	0	0	0	111.7	W179	G164-W179 PolarHBondContact N-O 3.19Å; G164-W179 PolarHBondContact O-N 3.47Å
165	C	95.1	Very high	93.6	Very high	5 Å²	5	23.9 Å²	23.9	3%	0.034	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	161.1	178.4	64	0	0	0	0	111.6	Y167 Y176 K177	C165-Y167 PolarHBondContact SG-OH 2.95Å; C165-Y176 HydrophobicContact CB-CD2 3.78Å; C165-Y176 HydrophobicContact CB-CE1 4.07Å; C165-Y176 HydrophobicContact CB-CE2 3.18Å; C165-Y176 HydrophobicContact CB-CG 4.45Å; C165-Y176 WeakPolarHBondContact SG-CE2 3.31Å; C165-K177 CarbonylContact C-O 3.52Å; C165-K177 WeakPolarHBondContact CA-O 3.35Å; C165-K177 WeakPolarHBondContact CB-O 3.45Å
166	H	96	Very high	93.2	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	148.9	164.3	-54.2	138.2	0	0	0	108.9	V168 K177 W179 W269 S288	H166-V168 HydrophobicContact CB-CG1 4.43Å; H166-K177 HydrophobicContact CB-CB 4.46Å; H166-K177 PolarHBondContact N-O 3.3Å; H166-K177 PolarHBondContact O-N 3.15Å; H166-W179 AromaticContact CE1-CD2 3.6Å; H166-W179 AromaticContact CE1-CE3 3.93Å; H166-W179 AromaticContact CE1-CG 3.61Å; H166-W269 HydrophobicContact CB-CB 4.45Å; H166-W269 PolarHBondContact CE1-O 2.93Å; H166-S288 WeakPolarHBondContact CD2-CB 3.34Å; H166-S288 PolarHBondContact CD2-OG 3.15Å; H166-S288 PolarHBondContact NE2-OG 2.95Å
167	Y	95.4	Very high	92.9	Very high	10 Å²	10	21.3 Å²	21.3	4%	0.039	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	131.6	169.1	-63	-77.5	0	0	0	107.7	C165 I174 K175 Y176 T290 T423 R430 R431	C165-Y167 PolarHBondContact SG-OH 2.95Å; Y167-I174 HydrophobicContact CD1-CG2 3.73Å; Y167-I174 HydrophobicContact CG-CG2 4.18Å; Y167-K175 WeakPolarHBondContact CA-O 3.25Å; Y167-Y176 HydrophobicContact CE1-CD2 4.01Å; Y167-T290 PolarHBondContact N-OG1 3.06Å; Y167-T290 WeakPolarHBondContact O-CB 3.28Å; Y167-T290 WeakPolarHBondContact O-CG2 2.97Å; Y167-T290 PolarHBondContact O-OG1 3.15Å; Y167-T423 VanDerWaalsContact CE2-C 3.48Å; Y167-T423 WeakPolarHBondContact CE2-O 3.39Å; Y167-R430 PolarHBondContact OH-O 2.85Å; Y167-R430 VanDerWaalsContact OH-O 3.12Å; Y167-R431 HydrophobicContact CD1-CB 4.31Å; Y167-R431 HydrophobicContact CD1-CG 4.03Å; Y167-R431 HydrophobicContact CD2-CG 4.33Å; Y167-R431 HydrophobicContact CE1-CB 3.62Å; Y167-R431 HydrophobicContact CE1-CG 3.8Å; Y167-R431 HydrophobicContact CE2-CB 4.42Å; Y167-R431 HydrophobicContact CE2-CG 4.12Å; Y167-R431 HydrophobicContact CG-CG 4.31Å; Y167-R431 VanDerWaalsContact CZ-CA 3.46Å; Y167-R431 WeakPolarHBondContact OH-CA 3.42Å; Y167-R431 PolarHBondContact OH-N 3.35Å
168	V	91.8	Very high	92.6	Very high	6 Å²	6	21 Å²	21	4%	0.036	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	-178.1	-175.7	-57.6	0	0	0	0	109.8	H166 K175 K177 F326	H166-V168 HydrophobicContact CB-CG1 4.43Å; V168-K175 HydrophobicContact CG2-CB 3.96Å; V168-K175 PolarHBondContact N-O 3.46Å; V168-K175 PolarHBondContact O-N 2.83Å; V168-K177 HydrophobicContact CG1-CB 4.27Å; V168-K177 HydrophobicContact CG1-CD 4.17Å; V168-K177 HydrophobicContact CG2-CB 4.17Å; V168-F326 HydrophobicContact CB-CD1 4.35Å; V168-F326 HydrophobicContact CB-CD2 4.39Å; V168-F326 HydrophobicContact CB-CE1 3.88Å; V168-F326 HydrophobicContact CB-CE2 3.95Å; V168-F326 HydrophobicContact CB-CZ 3.67Å; V168-F326 HydrophobicContact CG1-CD2 4.24Å; V168-F326 HydrophobicContact CG1-CE1 4.44Å; V168-F326 HydrophobicContact CG1-CE2 3.62Å; V168-F326 HydrophobicContact CG1-CZ 3.73Å
169	G	87.6	Confident	92.5	Very high	11 Å²	11	21 Å²	21	11%	0.113	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	92.8	-126.5	-178.7	0	0	0	0	0	111.3	F326	G169-F326 VanDerWaalsContact O-CD1 3.26Å; G169-F326 WeakPolarHBondContact O-CD1 3.35Å
170	A	85.3	Confident	92.3	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.008	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	160.7	-178.1	0	0	0	0	0	111.9	R172 S173 I174 F292 F581 S583	A170-R172 PolarHBondContact O-N 2.88Å; A170-S173 PolarHBondContact N-O 3Å; A170-S173 CarbonylContact O-C 3.58Å; A170-S173 PolarHBondContact O-N 3.21Å; A170-I174 PolarHBondContact O-N 2.75Å; A170-F292 VanDerWaalsContact C-CD1 3.46Å; A170-F581 HydrophobicContact CB-CD2 4.04Å; A170-F581 HydrophobicContact CB-CE2 3.22Å; A170-F581 HydrophobicContact CB-CZ 3.63Å; A170-S583 WeakPolarHBondContact CB-OG 3.46Å
171	A	88.4	Confident	92.3	Very high	12 Å²	12	19.7 Å²	19.7	10%	0.099	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-37.4	-175.4	0	0	0	0	0	113.5	F292 K419 N420	A171-F292 HydrophobicContact CB-CB 3.71Å; A171-F292 HydrophobicContact CB-CG 4.3Å; A171-K419 HydrophobicContact CB-CB 4.04Å; A171-K419 HydrophobicContact CB-CD 4.21Å; A171-N420 PolarHBondContact O-ND2 3.29Å
172	R	85.3	Confident	92.3	Very high	102 Å²	102	18 Å²	18	39%	0.385	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-19.7	179.7	72.2	-177.7	-159.8	-173.5	10.8	114.8	A170 S479 D481 F581	A170-R172 PolarHBondContact O-N 2.88Å; R172-S479 PolarHBondContact NH1-O 2.89Å; R172-S479 PolarHBondContact NH1-OG 3.19Å; R172-S479 PolarHBondContact NH2-O 2.83Å; R172-S479 PolarHBondContact NH2-OG 3.05Å; R172-S479 VanDerWaalsContact NH2-OG 3.15Å; R172-D481 IonicContact CZ-OD1 3.66Å; R172-D481 IonicContact NE-OD1 2.75Å; R172-D481 PolarHBondContact NE-OD1 2.84Å; R172-D481 IonicContact NH2-OD1 3.73Å; R172-D481 PolarHBondContact NH2-OD1 3.39Å; R172-F581 HydrophobicContact CG-CE2 4.15Å; R172-F581 HydrophobicContact CG-CZ 4.26Å; R172-F581 PolarHBondContact NH1-O 2.92Å
173	S	85.3	Confident	92.4	Very high	21 Å²	21	17 Å²	17	15%	0.147	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	73.4	-175.6	170.2	0	0	0	0	108.9	A170 K175	A170-S173 PolarHBondContact N-O 3Å; A170-S173 CarbonylContact O-C 3.58Å; A170-S173 PolarHBondContact O-N 3.21Å; S173-K175 PolarHBondContact O-N 3.4Å
174	I	90.6	Very high	92.5	Very high	50 Å²	50	16.6 Å²	16.6	26%	0.256	8%	0.079	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	122	-177.4	-62.2	175.6	0	0	0	109.5	Y167 A170 F292 N420	Y167-I174 HydrophobicContact CD1-CG2 3.73Å; Y167-I174 HydrophobicContact CG-CG2 4.18Å; A170-I174 PolarHBondContact O-N 2.75Å; I174-F292 HydrophobicContact CB-CZ 4.16Å; I174-F292 HydrophobicContact CD1-CD2 4.3Å; I174-F292 HydrophobicContact CD1-CE2 3.77Å; I174-F292 HydrophobicContact CD1-CZ 4.1Å; I174-F292 HydrophobicContact CG1-CD2 4.46Å; I174-F292 HydrophobicContact CG1-CE1 4.11Å; I174-F292 HydrophobicContact CG1-CE2 3.85Å; I174-F292 HydrophobicContact CG1-CZ 3.66Å; I174-F292 HydrophobicContact CG2-CE2 4.27Å; I174-F292 HydrophobicContact CG2-CZ 3.74Å; I174-N420 HydrophobicContact CD1-CB 3.88Å
175	K	89.1	Confident	92.5	Very high	49 Å²	49	17.8 Å²	17.8	21%	0.213	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	148.4	177.5	-61.2	-178.5	-178.8	-179.3	0	110.7	Y167 V168 S173 E558 F584	Y167-K175 WeakPolarHBondContact CA-O 3.25Å; V168-K175 HydrophobicContact CG2-CB 3.96Å; V168-K175 PolarHBondContact N-O 3.46Å; V168-K175 PolarHBondContact O-N 2.83Å; S173-K175 PolarHBondContact O-N 3.4Å; K175-E558 IonicContact NZ-OE1 3.11Å; K175-E558 PolarHBondContact NZ-OE1 3.47Å; K175-F584 PolarHBondContact NZ-O 2.73Å
176	Y	89.4	Confident	92.5	Very high	64 Å²	64	23.4 Å²	23.4	25%	0.251	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	124.6	176.2	179	-88.7	0	0	0	110.3	C165 Y167 P178 Q677	C165-Y176 HydrophobicContact CB-CD2 3.78Å; C165-Y176 HydrophobicContact CB-CE1 4.07Å; C165-Y176 HydrophobicContact CB-CE2 3.18Å; C165-Y176 HydrophobicContact CB-CG 4.45Å; C165-Y176 WeakPolarHBondContact SG-CE2 3.31Å; Y167-Y176 HydrophobicContact CE1-CD2 4.01Å; Y176-P178 HydrophobicContact CD1-CG 4.04Å; Y176-P178 HydrophobicContact CE1-CB 3.98Å; Y176-P178 HydrophobicContact CE1-CG 3.68Å; Y176-Q677 HydrophobicContact CE1-CG 4.37Å; Y176-Q677 VanDerWaalsContact CE1-OE1 3.28Å; Y176-Q677 PolarHBondContact OH-NE2 2.89Å; Y176-Q677 PolarHBondContact OH-OE1 2.89Å
177	K	91.6	Very high	92.6	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.009	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	103.9	176.2	-171.6	179.2	179.9	78.3	0	109.6	C165 H166 V168 Y244 E673	C165-K177 CarbonylContact C-O 3.52Å; C165-K177 WeakPolarHBondContact CA-O 3.35Å; C165-K177 WeakPolarHBondContact CB-O 3.45Å; H166-K177 HydrophobicContact CB-CB 4.46Å; H166-K177 PolarHBondContact N-O 3.3Å; H166-K177 PolarHBondContact O-N 3.15Å; V168-K177 HydrophobicContact CG1-CB 4.27Å; V168-K177 HydrophobicContact CG1-CD 4.17Å; V168-K177 HydrophobicContact CG2-CB 4.17Å; K177-Y244 PolarHBondContact NZ-O 3.06Å; K177-E673 IonicContact NZ-OE1 3.07Å; K177-E673 PolarHBondContact NZ-OE1 3.26Å; K177-E673 IonicContact NZ-OE2 2.74Å; K177-E673 PolarHBondContact NZ-OE2 3.39Å
178	P	93.6	Very high	92.8	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.006	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	147.7	178.3	-7.9	15.1	0	0	0	112	Y176 I663 N675	Y176-P178 HydrophobicContact CD1-CG 4.04Å; Y176-P178 HydrophobicContact CE1-CB 3.98Å; Y176-P178 HydrophobicContact CE1-CG 3.68Å; P178-I663 HydrophobicContact CB-CD1 3.68Å; P178-I663 HydrophobicContact CB-CG1 3.74Å; P178-I663 HydrophobicContact CB-CG2 4.11Å; P178-I663 HydrophobicContact CG-CG1 4.38Å; P178-I663 HydrophobicContact CG-CG2 3.97Å; P178-N675 HydrophobicContact CG-CB 4.12Å
179	W	95.6	Very high	93.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	132.8	178.2	-165.8	-95.8	0	0	0	112.3	G164 H166 F181 W246 T247 G248 S249 V270	G164-W179 PolarHBondContact N-O 3.19Å; G164-W179 PolarHBondContact O-N 3.47Å; H166-W179 AromaticContact CE1-CD2 3.6Å; H166-W179 AromaticContact CE1-CE3 3.93Å; H166-W179 AromaticContact CE1-CG 3.61Å; W179-F181 AromaticContact CD1-CD1 3.52Å; W179-F181 AromaticContact CD1-CE1 3.69Å; W179-F181 AromaticContact NE1-CD1 3.99Å; W179-W246 HydrophobicContact CH2-CB 3.69Å; W179-W246 HydrophobicContact CZ3-CB 3.92Å; W179-T247 CarbonylContact C-O 3.47Å; W179-T247 WeakPolarHBondContact CA-O 3.46Å; W179-G248 VanDerWaalsContact CZ2-C 3.42Å; W179-S249 PolarHBondContact NE1-OG 3.46Å; W179-V270 HydrophobicContact CH2-CB 4.38Å; W179-V270 HydrophobicContact CH2-CG1 4.07Å; W179-V270 HydrophobicContact CH2-CG2 4.34Å
180	N	95.6	Very high	93.6	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.011	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	103.8	171.8	-66.7	-32.6	0	0	0	109.2	T247 G248 S249 E625 L627 I663	N180-T247 PolarHBondContact N-O 3.46Å; N180-G248 CarbonylContact O-C 3.53Å; N180-G248 WeakPolarHBondContact O-CA 3.41Å; N180-S249 PolarHBondContact O-N 3.29Å; N180-E625 PolarHBondContact ND2-OE1 2.73Å; N180-L627 HydrophobicContact CB-CD1 4.36Å; N180-L627 HydrophobicContact CB-CD2 4.06Å; N180-L627 HydrophobicContact CB-CG 4.1Å; N180-I663 WeakPolarHBondContact OD1-CD1 3.49Å
181	F	98.1	Very high	94.2	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.018	12%	0.118	C	C	.	.			trans	-66.4	-52.3	174.9	-63.9	-62.2	0	0	0	110.2	D162 W179 Q183 T276 T277	D162-F181 PolarHBondContact O-N 3.2Å; W179-F181 AromaticContact CD1-CD1 3.52Å; W179-F181 AromaticContact CD1-CE1 3.69Å; W179-F181 AromaticContact NE1-CD1 3.99Å; F181-Q183 VanDerWaalsContact C-N 3.35Å; F181-Q183 PolarHBondContact O-N 3.43Å; F181-T276 HydrophobicContact CD1-CG2 3.93Å; F181-T276 HydrophobicContact CE1-CG2 3.49Å; F181-T276 VanDerWaalsContact CE1-CG2 3.49Å; F181-T276 HydrophobicContact CE2-CG2 4.37Å; F181-T276 HydrophobicContact CZ-CG2 3.73Å; F181-T277 WeakPolarHBondContact CA-OG1 3.43Å; F181-T277 WeakPolarHBondContact CB-OG1 3.26Å; F181-T277 WeakPolarHBondContact CD1-OG1 3.22Å; F181-T277 WeakPolarHBondContact O-CG2 3.3Å; F181-T277 PolarHBondContact O-OG1 2.98Å
182	G	96.9	Very high	94.7	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.113	C	C	.	.			trans	64.3	34.3	173	0	0	0	0	0	114.2	D162 F184 E185	D162-G182 PolarHBondContact O-N 2.76Å; G182-F184 PolarHBondContact O-N 3.09Å; G182-F184 VanDerWaalsContact O-N 3.07Å; G182-E185 VanDerWaalsContact O-CB 3.32Å; G182-E185 WeakPolarHBondContact O-CB 3.48Å; G182-E185 WeakPolarHBondContact O-CG 3.33Å; G182-E185 PolarHBondContact O-N 3.47Å
183	Q	98.4	Very high	95.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-21.8	-179.9	63	-86.5	23.7	0	0	114	F29 I159 N161 F181 T277 R280 A281	F29-Q183 WeakPolarHBondContact CE1-O 3.34Å; I159-Q183 PolarHBondContact O-NE2 2.96Å; N161-Q183 PolarHBondContact O-NE2 2.86Å; F181-Q183 VanDerWaalsContact C-N 3.35Å; F181-Q183 PolarHBondContact O-N 3.43Å; Q183-T277 HydrophobicContact CB-CG2 4.06Å; Q183-R280 HydrophobicContact CB-CB 4.41Å; Q183-R280 HydrophobicContact CG-CB 4.16Å; Q183-A281 HydrophobicContact CB-CB 3.97Å
184	F	97.5	Very high	95.8	Very high	6 Å²	6	20.6 Å²	20.6	3%	0.026	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-6.7	179.5	-54.8	-56	0	0	0	114	E28 F29 Q30 L160 D162 G182	E28-F184 HydrophobicContact CB-CB 3.89Å; E28-F184 HydrophobicContact CB-CD1 3.93Å; E28-F184 HydrophobicContact CB-CD2 3.84Å; E28-F184 HydrophobicContact CB-CE1 4.47Å; E28-F184 HydrophobicContact CB-CE2 4.39Å; E28-F184 HydrophobicContact CB-CG 3.6Å; F29-F184 AromaticContact CD1-CD1 3.64Å; F29-F184 HydrophobicContact CD1-CD1 3.64Å; F29-F184 HydrophobicContact CD1-CE1 4.37Å; F29-F184 HydrophobicContact CD2-CD1 4Å; F29-F184 HydrophobicContact CD2-CE1 4.19Å; F29-F184 AromaticContact CE1-CD1 3.62Å; F29-F184 HydrophobicContact CE1-CD1 3.62Å; F29-F184 AromaticContact CE1-CE1 3.99Å; F29-F184 HydrophobicContact CE1-CE1 3.99Å; F29-F184 AromaticContact CE2-CD1 3.99Å; F29-F184 HydrophobicContact CE2-CD1 3.99Å; F29-F184 AromaticContact CE2-CE1 3.8Å; F29-F184 HydrophobicContact CE2-CE1 3.8Å; F29-F184 AromaticContact CG-CD1 3.84Å; F29-F184 HydrophobicContact CG-CD1 3.84Å; F29-F184 HydrophobicContact CG-CE1 4.47Å; F29-F184 AromaticContact CZ-CD1 3.81Å; F29-F184 HydrophobicContact CZ-CD1 3.81Å; F29-F184 AromaticContact CZ-CE1 3.69Å; F29-F184 HydrophobicContact CZ-CE1 3.69Å; Q30-F184 WeakPolarHBondContact CB-O 3.31Å; Q30-F184 WeakPolarHBondContact CG-O 3.44Å; Q30-F184 PolarHBondContact N-O 2.87Å; L160-F184 HydrophobicContact CD2-CZ 4.29Å; L160-F184 WeakPolarHBondContact O-CE2 3.36Å; D162-F184 HydrophobicContact CB-CD2 4.05Å; D162-F184 HydrophobicContact CB-CE2 4.34Å; G182-F184 PolarHBondContact O-N 3.09Å; G182-F184 VanDerWaalsContact O-N 3.07Å
185	E	96.6	Very high	96.1	Very high	27 Å²	27	18.2 Å²	18.2	13%	0.126	9%	0.085	C	C	.	.	S	Bend	trans	-64.6	154.4	179.9	-63.6	-57.5	133.1	0	0	111.8	G182 N187 V188 A250 L627 K656	G182-E185 VanDerWaalsContact O-CB 3.32Å; G182-E185 WeakPolarHBondContact O-CB 3.48Å; G182-E185 WeakPolarHBondContact O-CG 3.33Å; G182-E185 PolarHBondContact O-N 3.47Å; E185-N187 PolarHBondContact O-N 3.18Å; E185-V188 HydrophobicContact CB-CG2 3.88Å; E185-V188 WeakPolarHBondContact O-CB 3.06Å; E185-V188 PolarHBondContact O-N 3.09Å; E185-V188 VanDerWaalsContact O-N 3.13Å; E185-A250 HydrophobicContact CB-CB 4.07Å; E185-A250 HydrophobicContact CG-CB 4.05Å; E185-L627 HydrophobicContact CG-CD2 3.86Å; E185-K656 IonicContact OE1-NZ 2.7Å; E185-K656 PolarHBondContact OE1-NZ 3.13Å; E185-K656 IonicContact OE2-NZ 3.51Å; E185-K656 PolarHBondContact OE2-NZ 2.84Å
186	K	95.6	Very high	96.4	Very high	123 Å²	123	16 Å²	16	54%	0.535	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	138	179.9	178.9	177.8	176.4	-177	0	111.3	Q30 V188 Q254	Q30-K186 HydrophobicContact CB-CB 4.17Å; K186-V188 PolarHBondContact O-N 3.2Å; K186-V188 VanDerWaalsContact O-N 3.08Å; K186-Q254 PolarHBondContact O-NE2 2.91Å
187	N	97.2	Very high	96.6	Very high	53 Å²	53	16.7 Å²	16.7	28%	0.283	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	-4.2	-180	-56.3	-16.7	0	0	0	115.9	E185 D190 C191 Q254 Y257	E185-N187 PolarHBondContact O-N 3.18Å; N187-D190 WeakPolarHBondContact CA-OD2 3.38Å; N187-C191 VanDerWaalsContact O-CB 3.25Å; N187-C191 WeakPolarHBondContact O-CB 3.3Å; N187-C191 PolarHBondContact O-N 2.73Å; N187-Q254 HydrophobicContact CB-CG 4.49Å; N187-Y257 HydrophobicContact CB-CD1 3.92Å; N187-Y257 HydrophobicContact CB-CE1 4.24Å
188	V	98.5	Very high	96.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-70.8	-48.1	-179.8	175.3	0	0	0	0	110.7	E185 K186 D190 C191 C192 A250 L253 Q254 T277	E185-V188 HydrophobicContact CB-CG2 3.88Å; E185-V188 WeakPolarHBondContact O-CB 3.06Å; E185-V188 PolarHBondContact O-N 3.09Å; E185-V188 VanDerWaalsContact O-N 3.13Å; K186-V188 PolarHBondContact O-N 3.2Å; K186-V188 VanDerWaalsContact O-N 3.08Å; V188-D190 PolarHBondContact O-N 2.91Å; V188-C191 WeakPolarHBondContact O-CB 3.33Å; V188-C191 PolarHBondContact O-N 2.99Å; V188-C192 PolarHBondContact O-N 3.45Å; V188-C192 PolarHBondContact O-SG 3.32Å; V188-A250 HydrophobicContact CG2-CB 3.9Å; V188-L253 HydrophobicContact CG1-CD1 3.89Å; V188-Q254 HydrophobicContact CG2-CG 4.36Å; V188-T277 HydrophobicContact CG1-CG2 4.01Å
189	L	98.6	Very high	96.7	Very high	3 Å²	3	20 Å²	20	2%	0.016	10%	0.103	C	C	.	.	H	α-helix	trans	-62.8	-44.3	175.6	-179.4	60	0	0	0	111.5	F29 T31 V35 Y135 L137 C191 C192 I193 A281	F29-L189 HydrophobicContact CB-CD2 4.49Å; F29-L189 HydrophobicContact CD1-CB 3.83Å; F29-L189 HydrophobicContact CD1-CD2 3.65Å; F29-L189 HydrophobicContact CD1-CG 4.23Å; F29-L189 HydrophobicContact CD2-CD2 4.37Å; F29-L189 HydrophobicContact CE1-CB 3.94Å; F29-L189 HydrophobicContact CE1-CD1 4.07Å; F29-L189 HydrophobicContact CE1-CD2 3.84Å; F29-L189 HydrophobicContact CE1-CG 4.17Å; F29-L189 HydrophobicContact CG-CD2 3.94Å; F29-L189 HydrophobicContact CZ-CD1 4.42Å; F29-L189 HydrophobicContact CZ-CD2 4.27Å; T31-L189 HydrophobicContact CG2-CD2 4.36Å; V35-L189 HydrophobicContact CB-CD2 4.49Å; V35-L189 HydrophobicContact CG1-CD2 3.92Å; V35-L189 HydrophobicContact CG2-CD2 3.68Å; Y135-L189 HydrophobicContact CD2-CD2 3.73Å; Y135-L189 HydrophobicContact CD2-CG 4.08Å; Y135-L189 HydrophobicContact CE2-CD2 4.39Å; Y135-L189 HydrophobicContact CE2-CG 4.43Å; L137-L189 HydrophobicContact CD2-CD1 4.05Å; L189-C191 PolarHBondContact O-N 3.06Å; L189-C192 WeakPolarHBondContact O-CB 3.36Å; L189-C192 PolarHBondContact O-N 2.78Å; L189-I193 HydrophobicContact CD1-CD1 4.4Å; L189-I193 HydrophobicContact CD1-CG1 4.18Å; L189-I193 HydrophobicContact CG-CG1 4.32Å; L189-I193 VanDerWaalsContact O-CG1 3.28Å; L189-I193 WeakPolarHBondContact O-CG1 3.45Å; L189-I193 PolarHBondContact O-N 3.18Å; L189-A281 HydrophobicContact CD1-CB 4.36Å
190	D	98	Very high	96.3	Very high	17 Å²	17	25.5 Å²	25.5	9%	0.091	14%	0.142	C	C	.	.	H	α-helix	trans	-60.1	-37.5	178.5	-52	-71.9	0	0	0	111.4	T31 Y135 N187 V188 I193 S194 Y257	T31-D190 PolarHBondContact OG1-OD1 3.22Å; Y135-D190 VanDerWaalsContact CE2-OD1 3.31Å; Y135-D190 WeakPolarHBondContact CE2-OD1 3.43Å; Y135-D190 PolarHBondContact OH-OD1 3.23Å; N187-D190 WeakPolarHBondContact CA-OD2 3.38Å; V188-D190 PolarHBondContact O-N 2.91Å; D190-I193 PolarHBondContact O-N 3.22Å; D190-S194 WeakPolarHBondContact O-CB 3.42Å; D190-S194 PolarHBondContact O-N 2.78Å; D190-Y257 HydrophobicContact CB-CE1 4.29Å; D190-Y257 HydrophobicContact CB-CE2 4.32Å
191	C	98.5	Very high	96.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.7	-49.1	170.7	-176.1	0	0	0	0	112	N187 V188 L189 I193 S194 L195 Y257	N187-C191 VanDerWaalsContact O-CB 3.25Å; N187-C191 WeakPolarHBondContact O-CB 3.3Å; N187-C191 PolarHBondContact O-N 2.73Å; V188-C191 WeakPolarHBondContact O-CB 3.33Å; V188-C191 PolarHBondContact O-N 2.99Å; L189-C191 PolarHBondContact O-N 3.06Å; C191-I193 VanDerWaalsContact C-N 3.31Å; C191-I193 PolarHBondContact O-N 2.79Å; C191-S194 WeakPolarHBondContact O-CA 3.46Å; C191-S194 VanDerWaalsContact O-CB 3.25Å; C191-S194 WeakPolarHBondContact O-CB 3.18Å; C191-S194 PolarHBondContact O-N 2.94Å; C191-S194 VanDerWaalsContact O-N 3.09Å; C191-L195 WeakPolarHBondContact O-CG 3.43Å; C191-L195 PolarHBondContact O-N 3.25Å; C191-Y257 VanDerWaalsContact CA-CD2 3.49Å; C191-Y257 HydrophobicContact CB-CD2 3.82Å; C191-Y257 HydrophobicContact CB-CG 3.97Å
192	C	98.5	Very high	96	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.1	-41	178.9	-60.9	0	0	0	0	112.2	V188 L189 L195 L196 V278 A281 L282	V188-C192 PolarHBondContact O-N 3.45Å; V188-C192 PolarHBondContact O-SG 3.32Å; L189-C192 WeakPolarHBondContact O-CB 3.36Å; L189-C192 PolarHBondContact O-N 2.78Å; C192-L195 PolarHBondContact O-N 2.95Å; C192-L196 PolarHBondContact O-N 2.75Å; C192-V278 HydrophobicContact CB-CG1 4.46Å; C192-A281 HydrophobicContact CB-CB 4.39Å; C192-L282 HydrophobicContact CB-CD2 4.04Å; C192-L282 HydrophobicContact CB-CG 4.31Å
193	I	97.8	Very high	95.9	Very high	7 Å²	7	34.1 Å²	34.1	4%	0.036	18%	0.183	C	C	.	.	H	α-helix	trans	-68.5	-36.1	176.9	-58.1	-72.7	0	0	0	111.2	K115 Y135 L137 L189 D190 C191 T197 L282	K115-I193 HydrophobicContact CB-CG2 4.1Å; Y135-I193 HydrophobicContact CD1-CG1 4.4Å; Y135-I193 HydrophobicContact CD1-CG2 4.46Å; Y135-I193 HydrophobicContact CD2-CG1 4.31Å; Y135-I193 HydrophobicContact CE1-CG1 4.47Å; Y135-I193 HydrophobicContact CE1-CG2 4.18Å; Y135-I193 HydrophobicContact CE2-CG1 4.37Å; Y135-I193 HydrophobicContact CG-CD1 4.38Å; Y135-I193 HydrophobicContact CG-CG1 4.32Å; L137-I193 HydrophobicContact CD2-CD1 4.24Å; L189-I193 HydrophobicContact CD1-CD1 4.4Å; L189-I193 HydrophobicContact CD1-CG1 4.18Å; L189-I193 HydrophobicContact CG-CG1 4.32Å; L189-I193 VanDerWaalsContact O-CG1 3.28Å; L189-I193 WeakPolarHBondContact O-CG1 3.45Å; L189-I193 PolarHBondContact O-N 3.18Å; D190-I193 PolarHBondContact O-N 3.22Å; C191-I193 VanDerWaalsContact C-N 3.31Å; C191-I193 PolarHBondContact O-N 2.79Å; I193-T197 PolarHBondContact O-N 3.4Å; I193-T197 PolarHBondContact O-OG1 3.31Å; I193-L282 HydrophobicContact CD1-CD2 4.27Å
194	S	96.7	Very high	95.6	Very high	25 Å²	25	36.3 Å²	36.3	18%	0.175	20%	0.196	C	C	.	.	H	α-helix	trans	-61.7	-48.8	171.8	-155.1	0	0	0	0	110.7	D190 C191 L196 T197 E198 K260	D190-S194 WeakPolarHBondContact O-CB 3.42Å; D190-S194 PolarHBondContact O-N 2.78Å; C191-S194 WeakPolarHBondContact O-CA 3.46Å; C191-S194 VanDerWaalsContact O-CB 3.25Å; C191-S194 WeakPolarHBondContact O-CB 3.18Å; C191-S194 PolarHBondContact O-N 2.94Å; C191-S194 VanDerWaalsContact O-N 3.09Å; S194-L196 PolarHBondContact O-N 3Å; S194-T197 CarbonylContact O-C 3.53Å; S194-T197 WeakPolarHBondContact O-CA 3.37Å; S194-T197 WeakPolarHBondContact O-CB 3.24Å; S194-T197 PolarHBondContact O-N 2.79Å; S194-E198 WeakPolarHBondContact O-CG 3.43Å; S194-E198 PolarHBondContact O-N 3.39Å; S194-E198 PolarHBondContact OG-OE1 3.34Å; S194-K260 PolarHBondContact OG-NZ 3.1Å
195	L	97.3	Very high	95.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61	-41.8	179.4	-70.6	170.2	0	0	0	112.3	C191 C192 T197 E198 S199 M216 M219 M220 V228 L253 Y256	C191-L195 WeakPolarHBondContact O-CG 3.43Å; C191-L195 PolarHBondContact O-N 3.25Å; C192-L195 PolarHBondContact O-N 2.95Å; L195-T197 PolarHBondContact O-N 2.87Å; L195-E198 PolarHBondContact O-N 2.95Å; L195-S199 WeakPolarHBondContact O-CB 3.3Å; L195-S199 PolarHBondContact O-N 2.67Å; L195-M216 HydrophobicContact CB-CE 4.45Å; L195-M216 HydrophobicContact CB-SD 4.2Å; L195-M219 HydrophobicContact CD2-CB 4.45Å; L195-M219 HydrophobicContact CD2-CE 3.59Å; L195-M220 HydrophobicContact CD1-CE 3.93Å; L195-V228 HydrophobicContact CD1-CG2 3.87Å; L195-V228 HydrophobicContact CD2-CG2 3.75Å; L195-V228 HydrophobicContact CG-CG2 4.47Å; L195-L253 HydrophobicContact CD1-CD2 4.43Å; L195-Y256 HydrophobicContact CD2-CD1 4.29Å; L195-Y256 HydrophobicContact CD2-CE1 3.49Å; L195-Y256 VanDerWaalsContact CD2-CE1 3.49Å; L195-Y256 HydrophobicContact CG-CE1 4.29Å
196	L	95.4	Very high	95.6	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-56.3	-35.9	171.3	-80.8	176.9	0	0	0	112.1	L113 C192 S194 S199 R206 V212 M216 L282	L113-L196 HydrophobicContact CB-CD1 4.35Å; C192-L196 PolarHBondContact O-N 2.75Å; S194-L196 PolarHBondContact O-N 3Å; L196-S199 PolarHBondContact O-OG 3.05Å; L196-R206 PolarHBondContact O-NE 2.96Å; L196-R206 PolarHBondContact O-NH2 3.27Å; L196-V212 HydrophobicContact CD2-CG1 4Å; L196-V212 HydrophobicContact CD2-CG2 4.29Å; L196-M216 HydrophobicContact CD2-CE 4.03Å; L196-M216 HydrophobicContact CD2-SD 4.31Å; L196-L282 HydrophobicContact CD1-CD1 3.95Å; L196-L282 HydrophobicContact CD1-CD2 3.5Å; L196-L282 HydrophobicContact CD1-CG 4.37Å; L196-L282 HydrophobicContact CD2-CD1 4.07Å; L196-L282 HydrophobicContact CG-CD1 3.99Å; L196-L282 HydrophobicContact CG-CD2 4.26Å
197	T	92.7	Very high	95.7	Very high	80 Å²	80	34 Å²	34	49%	0.491	19%	0.187	S	C	.	.	H	α-helix	trans	-79.6	-36.5	-179.1	-55.7	0	0	0	0	112.8	I193 S194 L195	I193-T197 PolarHBondContact O-N 3.4Å; I193-T197 PolarHBondContact O-OG1 3.31Å; S194-T197 CarbonylContact O-C 3.53Å; S194-T197 WeakPolarHBondContact O-CA 3.37Å; S194-T197 WeakPolarHBondContact O-CB 3.24Å; S194-T197 PolarHBondContact O-N 2.79Å; L195-T197 PolarHBondContact O-N 2.87Å
198	E	93.3	Very high	95.7	Very high	60 Å²	60	33.7 Å²	33.7	28%	0.28	19%	0.185	S	C	.	.	H	α-helix	trans	-76.2	-24.5	178.2	-70	163.6	-150.9	0	0	112.9	S194 L195 M219 Y256 K260	S194-E198 WeakPolarHBondContact O-CG 3.43Å; S194-E198 PolarHBondContact O-N 3.39Å; S194-E198 PolarHBondContact OG-OE1 3.34Å; L195-E198 PolarHBondContact O-N 2.95Å; E198-M219 HydrophobicContact CB-CE 4.1Å; E198-Y256 PolarHBondContact OE2-OH 3.34Å; E198-K260 IonicContact OE1-NZ 3.9Å
199	S	93.2	Very high	95.7	Very high	11 Å²	11	33.7 Å²	33.7	8%	0.077	19%	0.185	C	C	.	.	S	Bend	trans	-62.4	166	177.2	76.1	0	0	0	0	112.9	L195 L196 L201	L195-S199 WeakPolarHBondContact O-CB 3.3Å; L195-S199 PolarHBondContact O-N 2.67Å; L196-S199 PolarHBondContact O-OG 3.05Å; S199-L201 PolarHBondContact O-N 3.47Å; S199-L201 VanDerWaalsContact O-N 3.12Å; S199-L201 PolarHBondContact OG-N 3.39Å
200	S	87.9	Confident	95.7	Very high	117 Å²	117	33.7 Å²	33.7	82%	0.818	19%	0.185	S	C	*	.	S	Bend	trans	-69.6	-2.1	175.7	57.5	0	0	0	0	114.5	K202	S200-K202 PolarHBondContact O-N 3.16Å
201	L	93.9	Very high	95.7	Very high	18 Å²	18	35.1 Å²	35.1	9%	0.094	19%	0.192	C	C	.	.			trans	-70.8	128.3	-178.2	-67.2	178.6	0	0	0	112.4	S199 D205 R206 L211 V212 A215	S199-L201 PolarHBondContact O-N 3.47Å; S199-L201 VanDerWaalsContact O-N 3.12Å; S199-L201 PolarHBondContact OG-N 3.39Å; L201-D205 HydrophobicContact CB-CB 4.5Å; L201-D205 HydrophobicContact CD2-CB 4.03Å; L201-R206 HydrophobicContact CB-CG 4.02Å; L201-R206 HydrophobicContact CD1-CG 4.21Å; L201-R206 PolarHBondContact O-NH2 3.42Å; L201-L211 HydrophobicContact CD2-CB 3.92Å; L201-V212 HydrophobicContact CD1-CG2 4.29Å; L201-A215 HydrophobicContact CD1-CB 3.5Å; L201-A215 VanDerWaalsContact CD1-CB 3.5Å; L201-A215 HydrophobicContact CD2-CB 4.02Å; L201-A215 HydrophobicContact CG-CB 3.54Å
202	K	94.3	Very high	95.7	Very high	141 Å²	141	35.1 Å²	35.1	61%	0.613	19%	0.192	S	C	*	.			trans	-63.4	150.8	165	-58.3	171.6	-174.4	167.4	0	108.8	S200 T204 D205 R206	S200-K202 PolarHBondContact O-N 3.16Å; K202-T204 PolarHBondContact O-N 3.03Å; K202-T204 VanDerWaalsContact O-N 3.09Å; K202-D205 WeakPolarHBondContact CB-OD2 3.38Å; K202-D205 PolarHBondContact N-OD2 2.73Å; K202-D205 WeakPolarHBondContact O-CB 3.47Å; K202-D205 PolarHBondContact O-N 3.05Å; K202-R206 PolarHBondContact O-N 2.79Å
203	P	93.1	Very high	95.7	Very high	27 Å²	27	35.1 Å²	35.1	18%	0.175	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-37.1	178.4	-29.8	36.1	0	0	0	114.1	T74 I112 D205 R206	T74-P203 HydrophobicContact CG2-CB 3.78Å; I112-P203 WeakPolarHBondContact CG1-O 3.45Å; I112-P203 WeakPolarHBondContact CG2-O 3.37Å; P203-D205 VanDerWaalsContact C-N 3.31Å; P203-D205 PolarHBondContact O-N 3.19Å; P203-R206 PolarHBondContact O-N 3.11Å
204	T	93.8	Very high	95.7	Very high	46 Å²	46	35.8 Å²	35.8	28%	0.282	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-35.5	178.3	45.6	0	0	0	0	113.4	K72 K202 R206 R207	K72-T204 VanDerWaalsContact O-CG2 3.29Å; K72-T204 WeakPolarHBondContact O-CG2 3.24Å; K202-T204 PolarHBondContact O-N 3.03Å; K202-T204 VanDerWaalsContact O-N 3.09Å; T204-R206 VanDerWaalsContact C-N 3.27Å; T204-R206 PolarHBondContact O-N 2.59Å; T204-R207 VanDerWaalsContact O-CG 3.22Å; T204-R207 WeakPolarHBondContact O-CG 3.44Å; T204-R207 PolarHBondContact O-N 3.47Å; T204-R207 PolarHBondContact O-NE 2.89Å
205	D	96.4	Very high	95.7	Very high	48 Å²	48	35 Å²	35	26%	0.257	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-75.9	-22.4	-172.8	-55.8	-9.8	0	0	0	110.7	L201 K202 P203 R207 D208 L211	L201-D205 HydrophobicContact CB-CB 4.5Å; L201-D205 HydrophobicContact CD2-CB 4.03Å; K202-D205 WeakPolarHBondContact CB-OD2 3.38Å; K202-D205 PolarHBondContact N-OD2 2.73Å; K202-D205 WeakPolarHBondContact O-CB 3.47Å; K202-D205 PolarHBondContact O-N 3.05Å; P203-D205 VanDerWaalsContact C-N 3.31Å; P203-D205 PolarHBondContact O-N 3.19Å; D205-R207 PolarHBondContact O-N 2.87Å; D205-D208 PolarHBondContact O-N 3.38Å; D205-L211 HydrophobicContact CB-CD1 3.77Å
206	R	97.2	Very high	95.8	Very high	14 Å²	14	35 Å²	35	5%	0.053	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-65.8	-6.9	176.7	-58.7	172.5	-164.3	-179.8	-0.9	113.7	I112 L113 L196 L201 K202 P203 T204 D208	I112-R206 HydrophobicContact CG2-CB 4.2Å; L113-R206 WeakPolarHBondContact CB-O 3.35Å; L113-R206 VanDerWaalsContact CD1-O 3.31Å; L113-R206 WeakPolarHBondContact CD1-O 3.19Å; L113-R206 WeakPolarHBondContact CG-O 3.35Å; L113-R206 PolarHBondContact N-O 3.39Å; L196-R206 PolarHBondContact O-NE 2.96Å; L196-R206 PolarHBondContact O-NH2 3.27Å; L201-R206 HydrophobicContact CB-CG 4.02Å; L201-R206 HydrophobicContact CD1-CG 4.21Å; L201-R206 PolarHBondContact O-NH2 3.42Å; K202-R206 PolarHBondContact O-N 2.79Å; P203-R206 PolarHBondContact O-N 3.11Å; T204-R206 VanDerWaalsContact C-N 3.27Å; T204-R206 PolarHBondContact O-N 2.59Å; R206-D208 VanDerWaalsContact C-N 3.32Å
207	R	96.7	Very high	95.9	Very high	46 Å²	46	35 Å²	35	17%	0.174	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-78.7	-18.4	170.9	76.8	-175.3	60.8	-149	2.1	112.7	R38 N110 A111 I112 T204 D205 P209	R38-R207 PolarHBondContact NH1-O 3.32Å; N110-R207 PolarHBondContact O-NH1 2.88Å; N110-R207 WeakPolarHBondContact OD1-CD 3.36Å; N110-R207 WeakPolarHBondContact OD1-CG 3.33Å; A111-R207 WeakPolarHBondContact O-CB 3.09Å; I112-R207 HydrophobicContact CG1-CB 4.37Å; T204-R207 VanDerWaalsContact O-CG 3.22Å; T204-R207 WeakPolarHBondContact O-CG 3.44Å; T204-R207 PolarHBondContact O-N 3.47Å; T204-R207 PolarHBondContact O-NE 2.89Å; D205-R207 PolarHBondContact O-N 2.87Å; R207-P209 WeakPolarHBondContact O-CD 3.32Å
208	D	98.3	Very high	96.1	Very high	46 Å²	46	32.2 Å²	32.2	25%	0.246	18%	0.175	C	C	.	.			trans	-97.8	112.8	-173.2	-172.8	-11.9	0	0	0	110.5	D205 R206 V210 L211 V212	D205-D208 PolarHBondContact O-N 3.38Å; R206-D208 VanDerWaalsContact C-N 3.32Å; D208-V210 PolarHBondContact O-N 2.98Å; D208-V210 VanDerWaalsContact OD1-CB 3.3Å; D208-V210 WeakPolarHBondContact OD1-CB 3.32Å; D208-V210 PolarHBondContact OD1-N 3.18Å; D208-L211 HydrophobicContact CB-CB 4.25Å; D208-L211 HydrophobicContact CB-CD1 4.14Å; D208-L211 HydrophobicContact CB-CG 4.11Å; D208-L211 PolarHBondContact O-N 3.44Å; D208-V212 WeakPolarHBondContact O-CB 3.39Å; D208-V212 WeakPolarHBondContact O-CG2 3.29Å; D208-V212 PolarHBondContact O-N 2.96Å
209	P	98.4	Very high	96.3	Very high	1 Å²	1	30 Å²	30	1%	0.006	17%	0.165	C	C	.	.	H	α-helix	trans	-56.5	-29.8	176.2	-24.2	34.9	0	0	0	113.8	T146 V147 R207 V212 C213 I284 M334	T146-P209 WeakPolarHBondContact OG1-CD 3.39Å; T146-P209 VanDerWaalsContact OG1-CG 3.29Å; T146-P209 WeakPolarHBondContact OG1-CG 3.29Å; V147-P209 HydrophobicContact CG1-CB 3.8Å; V147-P209 HydrophobicContact CG1-CG 3.51Å; R207-P209 WeakPolarHBondContact O-CD 3.32Å; P209-V212 PolarHBondContact O-N 3.19Å; P209-C213 VanDerWaalsContact O-CB 3.32Å; P209-C213 WeakPolarHBondContact O-CB 3.41Å; P209-C213 PolarHBondContact O-N 3.46Å; P209-C213 PolarHBondContact O-SG 3.33Å; P209-C213 VanDerWaalsContact O-SG 3.4Å; P209-I284 HydrophobicContact CB-CD1 4.21Å; P209-M334 HydrophobicContact CB-CB 4.3Å; P209-M334 HydrophobicContact CB-SD 4.1Å
210	V	98.6	Very high	96.5	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	16%	0.161	C	C	.	.	H	α-helix	trans	-62.4	-51.3	178	176.4	0	0	0	0	109.9	D208 R214 M334 P365 Y380	D208-V210 PolarHBondContact O-N 2.98Å; D208-V210 VanDerWaalsContact OD1-CB 3.3Å; D208-V210 WeakPolarHBondContact OD1-CB 3.32Å; D208-V210 PolarHBondContact OD1-N 3.18Å; V210-R214 PolarHBondContact O-N 3.39Å; V210-R214 VanDerWaalsContact O-N 3.15Å; V210-M334 HydrophobicContact CB-SD 4.39Å; V210-M334 HydrophobicContact CG2-SD 3.74Å; V210-P365 HydrophobicContact CB-CG 4.37Å; V210-P365 HydrophobicContact CG1-CG 3.7Å; V210-Y380 HydrophobicContact CG1-CD2 4.44Å; V210-Y380 HydrophobicContact CG1-CE2 3.8Å
211	L	98.3	Very high	96.8	Very high	47 Å²	47	24.1 Å²	24.1	25%	0.246	12%	0.124	C	C	.	.	H	α-helix	trans	-70.3	-36.3	179.3	-60.1	-179.5	0	0	0	111.8	L201 D205 D208 R214 A215	L201-L211 HydrophobicContact CD2-CB 3.92Å; D205-L211 HydrophobicContact CB-CD1 3.77Å; D208-L211 HydrophobicContact CB-CB 4.25Å; D208-L211 HydrophobicContact CB-CD1 4.14Å; D208-L211 HydrophobicContact CB-CG 4.11Å; D208-L211 PolarHBondContact O-N 3.44Å; L211-R214 PolarHBondContact O-N 2.95Å; L211-A215 VanDerWaalsContact O-CB 3.31Å; L211-A215 WeakPolarHBondContact O-CB 3.31Å; L211-A215 PolarHBondContact O-N 3.43Å
212	V	98.6	Very high	96.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.9	-49.7	174.7	170.3	0	0	0	0	110.8	L113 L196 L201 D208 P209 R214 A215 M216 L282 I284	L113-V212 HydrophobicContact CD1-CG2 4.1Å; L196-V212 HydrophobicContact CD2-CG1 4Å; L196-V212 HydrophobicContact CD2-CG2 4.29Å; L201-V212 HydrophobicContact CD1-CG2 4.29Å; D208-V212 WeakPolarHBondContact O-CB 3.39Å; D208-V212 WeakPolarHBondContact O-CG2 3.29Å; D208-V212 PolarHBondContact O-N 2.96Å; P209-V212 PolarHBondContact O-N 3.19Å; V212-R214 VanDerWaalsContact C-N 3.34Å; V212-R214 PolarHBondContact O-N 3.28Å; V212-A215 PolarHBondContact O-N 3.33Å; V212-M216 HydrophobicContact CG1-CG 4.21Å; V212-M216 WeakPolarHBondContact O-CB 3.33Å; V212-M216 VanDerWaalsContact O-CG 3.25Å; V212-M216 WeakPolarHBondContact O-CG 3.46Å; V212-M216 PolarHBondContact O-N 3.5Å; V212-L282 HydrophobicContact CG1-CD1 3.96Å; V212-I284 HydrophobicContact CB-CD1 4.32Å; V212-I284 HydrophobicContact CG1-CD1 3.74Å
213	C	98.4	Very high	96.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.1	-45.2	177.9	-80.4	0	0	0	0	111.9	P209 M216 S217 L279 M334 V349	P209-C213 VanDerWaalsContact O-CB 3.32Å; P209-C213 WeakPolarHBondContact O-CB 3.41Å; P209-C213 PolarHBondContact O-N 3.46Å; P209-C213 PolarHBondContact O-SG 3.33Å; P209-C213 VanDerWaalsContact O-SG 3.4Å; C213-M216 PolarHBondContact O-N 3.49Å; C213-S217 PolarHBondContact O-N 3.5Å; C213-L279 VanDerWaalsContact SG-CD2 3.56Å; C213-M334 HydrophobicContact CB-CE 4.24Å; C213-M334 WeakPolarHBondContact SG-CE 3.36Å; C213-V349 HydrophobicContact CB-CG2 4.16Å
214	R	97.6	Very high	96.1	Very high	22 Å²	22	29.2 Å²	29.2	8%	0.083	14%	0.143	C	C	.	.	H	α-helix	trans	-63.8	-40.9	178.1	-172.7	170.3	-179.9	76.7	-2.3	112.9	V210 L211 V212 S217 A218 S357 G364 D381	V210-R214 PolarHBondContact O-N 3.39Å; V210-R214 VanDerWaalsContact O-N 3.15Å; L211-R214 PolarHBondContact O-N 2.95Å; V212-R214 VanDerWaalsContact C-N 3.34Å; V212-R214 PolarHBondContact O-N 3.28Å; R214-S217 PolarHBondContact O-OG 3.34Å; R214-A218 PolarHBondContact O-N 3.4Å; R214-S357 PolarHBondContact NH2-OG 2.83Å; R214-G364 PolarHBondContact NH1-O 2.94Å; R214-D381 IonicContact CZ-OD2 2.62Å; R214-D381 IonicContact NH1-OD2 3.36Å; R214-D381 PolarHBondContact NH1-OD2 3.13Å
215	A	97.5	Very high	95.7	Very high	8 Å²	8	29.8 Å²	29.8	7%	0.066	16%	0.158	C	C	.	.	H	α-helix	trans	-70.1	-39.1	176.7	0	0	0	0	0	112	L201 L211 V212 A218 M219	L201-A215 HydrophobicContact CD1-CB 3.5Å; L201-A215 VanDerWaalsContact CD1-CB 3.5Å; L201-A215 HydrophobicContact CD2-CB 4.02Å; L201-A215 HydrophobicContact CG-CB 3.54Å; L211-A215 VanDerWaalsContact O-CB 3.31Å; L211-A215 WeakPolarHBondContact O-CB 3.31Å; L211-A215 PolarHBondContact O-N 3.43Å; V212-A215 PolarHBondContact O-N 3.33Å; A215-A218 WeakPolarHBondContact O-CB 3.19Å; A215-A218 PolarHBondContact O-N 2.97Å; A215-M219 VanDerWaalsContact O-CG 3.31Å; A215-M219 WeakPolarHBondContact O-CG 3.12Å; A215-M219 PolarHBondContact O-N 3.33Å
216	M	98.1	Very high	95.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-69.7	-36.3	178.7	-67.1	-57.1	92.5	0	0	111.7	L195 L196 V212 C213 A218 M219 M220 L275 V278 L279 L282	L195-M216 HydrophobicContact CB-CE 4.45Å; L195-M216 HydrophobicContact CB-SD 4.2Å; L196-M216 HydrophobicContact CD2-CE 4.03Å; L196-M216 HydrophobicContact CD2-SD 4.31Å; V212-M216 HydrophobicContact CG1-CG 4.21Å; V212-M216 WeakPolarHBondContact O-CB 3.33Å; V212-M216 VanDerWaalsContact O-CG 3.25Å; V212-M216 WeakPolarHBondContact O-CG 3.46Å; V212-M216 PolarHBondContact O-N 3.5Å; C213-M216 PolarHBondContact O-N 3.49Å; M216-A218 VanDerWaalsContact C-N 3.3Å; M216-A218 PolarHBondContact O-N 3.33Å; M216-M219 HydrophobicContact CE-CB 4.34Å; M216-M219 HydrophobicContact CE-CG 3.96Å; M216-M219 PolarHBondContact O-N 2.84Å; M216-M220 VanDerWaalsContact O-CG 3.31Å; M216-M220 WeakPolarHBondContact O-CG 3.28Å; M216-M220 PolarHBondContact O-N 3.47Å; M216-M220 VanDerWaalsContact O-N 3.08Å; M216-L275 HydrophobicContact CB-CD1 4.01Å; M216-V278 HydrophobicContact CB-CG1 4.23Å; M216-V278 HydrophobicContact CG-CG1 3.86Å; M216-V278 HydrophobicContact SD-CG1 3.76Å; M216-L279 HydrophobicContact CB-CD2 4.4Å; M216-L282 HydrophobicContact CG-CD1 4.2Å; M216-L282 HydrophobicContact SD-CD1 4.37Å
217	S	97.6	Very high	95.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59.9	-42	173	70.7	0	0	0	0	111.7	C213 R214 M220	C213-S217 PolarHBondContact O-N 3.5Å; R214-S217 PolarHBondContact O-OG 3.34Å; S217-M220 PolarHBondContact O-N 2.86Å
218	A	96.8	Very high	95.3	Very high	23 Å²	23	30.1 Å²	30.1	19%	0.19	16%	0.161	C	C	.	.	H	α-helix	trans	-62	-46.8	172.5	0	0	0	0	0	112.8	R214 A215 M216 M220 S221 V360 F361 C362	R214-A218 PolarHBondContact O-N 3.4Å; A215-A218 WeakPolarHBondContact O-CB 3.19Å; A215-A218 PolarHBondContact O-N 2.97Å; M216-A218 VanDerWaalsContact C-N 3.3Å; M216-A218 PolarHBondContact O-N 3.33Å; A218-M220 PolarHBondContact O-N 2.85Å; A218-S221 PolarHBondContact O-N 2.78Å; A218-S221 VanDerWaalsContact O-O 3.1Å; A218-V360 HydrophobicContact CB-CG1 3.94Å; A218-F361 WeakPolarHBondContact CA-O 3.36Å; A218-C362 HydrophobicContact CB-CB 3.9Å
219	M	97.4	Very high	95.3	Very high	13 Å²	13	28 Å²	28	6%	0.064	15%	0.149	C	C	.	.	H	α-helix	trans	-67.8	-19.4	-177	-72.5	-59	-62.9	0	0	113.9	L195 E198 A215 M216 S221 G227 V228	L195-M219 HydrophobicContact CD2-CB 4.45Å; L195-M219 HydrophobicContact CD2-CE 3.59Å; E198-M219 HydrophobicContact CB-CE 4.1Å; A215-M219 VanDerWaalsContact O-CG 3.31Å; A215-M219 WeakPolarHBondContact O-CG 3.12Å; A215-M219 PolarHBondContact O-N 3.33Å; M216-M219 HydrophobicContact CE-CB 4.34Å; M216-M219 HydrophobicContact CE-CG 3.96Å; M216-M219 PolarHBondContact O-N 2.84Å; M219-S221 VanDerWaalsContact C-N 3.32Å; M219-G227 CarbonylContact O-C 3.41Å; M219-G227 WeakPolarHBondContact O-CA 3.25Å; M219-V228 WeakPolarHBondContact O-CG2 3.44Å; M219-V228 PolarHBondContact O-N 3.4Å
220	M	97.5	Very high	95.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-69.6	-33	177	-71.3	-45.6	86.3	0	0	111.9	L195 M216 S217 A218 V228 L229 F271 I274 L275 V278 A351	L195-M220 HydrophobicContact CD1-CE 3.93Å; M216-M220 VanDerWaalsContact O-CG 3.31Å; M216-M220 WeakPolarHBondContact O-CG 3.28Å; M216-M220 PolarHBondContact O-N 3.47Å; M216-M220 VanDerWaalsContact O-N 3.08Å; S217-M220 PolarHBondContact O-N 2.86Å; A218-M220 PolarHBondContact O-N 2.85Å; M220-V228 HydrophobicContact CE-CG2 3.97Å; M220-L229 WeakPolarHBondContact O-CB 3.27Å; M220-L229 PolarHBondContact O-N 2.89Å; M220-F271 HydrophobicContact CB-CD1 4.31Å; M220-I274 HydrophobicContact CB-CD1 3.78Å; M220-I274 HydrophobicContact CB-CG1 4.22Å; M220-I274 HydrophobicContact CG-CD1 3.94Å; M220-I274 HydrophobicContact CG-CG1 3.92Å; M220-I274 HydrophobicContact SD-CB 3.94Å; M220-I274 HydrophobicContact SD-CD1 3.55Å; M220-I274 VanDerWaalsContact SD-CD1 3.55Å; M220-I274 HydrophobicContact SD-CG1 3.52Å; M220-I274 VanDerWaalsContact SD-CG1 3.52Å; M220-L275 HydrophobicContact CG-CB 3.98Å; M220-L275 HydrophobicContact CG-CD1 4.13Å; M220-V278 HydrophobicContact CE-CG2 3.94Å; M220-V278 HydrophobicContact SD-CG2 3.97Å; M220-A351 HydrophobicContact CB-CB 3.6Å; M220-A351 HydrophobicContact CG-CB 3.91Å
221	S	94.9	Very high	95.1	Very high	5 Å²	5	30.9 Å²	30.9	4%	0.035	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-93.3	133.2	177.4	-178.6	0	0	0	0	111.5	A218 M219 E223 P353	A218-S221 PolarHBondContact O-N 2.78Å; A218-S221 VanDerWaalsContact O-O 3.1Å; M219-S221 VanDerWaalsContact C-N 3.32Å; S221-E223 PolarHBondContact O-N 3.44Å; S221-P353 WeakPolarHBondContact OG-CB 3.29Å; S221-P353 WeakPolarHBondContact OG-CG 3.42Å
222	F	93.9	Very high	94.8	Very high	86 Å²	86	29.7 Å²	29.7	38%	0.377	17%	0.167	S	C	.	.			trans	-73.9	117.1	173.1	-178.6	-107.4	0	0	0	111	Q226 L229 V230 A262	F222-Q226 CarbonylContact C-O 3.52Å; F222-Q226 VanDerWaalsContact CA-O 3.3Å; F222-Q226 WeakPolarHBondContact CA-O 2.96Å; F222-Q226 WeakPolarHBondContact CD2-O 3.39Å; F222-L229 PolarHBondContact N-O 3.36Å; F222-V230 HydrophobicContact CB-CG2 3.96Å; F222-V230 HydrophobicContact CD1-CG2 4.02Å; F222-V230 HydrophobicContact CG-CG2 4.19Å; F222-A262 HydrophobicContact CB-CB 3.81Å; F222-A262 HydrophobicContact CD1-CB 4.23Å; F222-A262 HydrophobicContact CD2-CB 3.39Å; F222-A262 HydrophobicContact CE2-CB 3.9Å; F222-A262 HydrophobicContact CG-CB 3.54Å
223	E	88.3	Confident	94.3	Very high	33 Å²	33	31.7 Å²	31.7	15%	0.154	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-143.4	137.4	176.6	175.2	168	-157.7	0	0	110.8	S221 G225 Q226 R356 F361	S221-E223 PolarHBondContact O-N 3.44Å; E223-G225 PolarHBondContact O-N 2.86Å; E223-Q226 PolarHBondContact N-O 3.45Å; E223-Q226 PolarHBondContact O-N 3.29Å; E223-Q226 VanDerWaalsContact O-O 3.04Å; E223-R356 IonicContact OE1-CZ 3.56Å; E223-R356 IonicContact OE1-NH1 2.79Å; E223-R356 PolarHBondContact OE1-NH1 3.02Å; E223-R356 IonicContact OE1-NH2 2.73Å; E223-R356 PolarHBondContact OE1-NH2 2.81Å; E223-R356 IonicContact OE2-NH1 3.55Å; E223-F361 HydrophobicContact CG-CD2 4.43Å; E223-F361 VanDerWaalsContact OE2-CD2 3.25Å; E223-F361 WeakPolarHBondContact OE2-CD2 3.41Å; E223-F361 PolarHBondContact OE2-N 3.36Å
224	K	83.6	Confident	93.6	Very high	173 Å²	173	35.5 Å²	35.5	75%	0.752	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	34.4	173.8	-66.3	171.3	-176.6	171.6	0	114
225	G	85.4	Confident	92.8	Very high	58 Å²	58	34.8 Å²	34.8	60%	0.598	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.9	4.7	177.6	0	0	0	0	0	115.3	E223	E223-G225 PolarHBondContact O-N 2.86Å
226	Q	88.8	Confident	92.2	Very high	114 Å²	114	38.5 Å²	38.5	53%	0.533	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-129.4	151.7	177.2	-65.2	-172.3	-38.7	0	0	111.1	F222 E223	F222-Q226 CarbonylContact C-O 3.52Å; F222-Q226 VanDerWaalsContact CA-O 3.3Å; F222-Q226 WeakPolarHBondContact CA-O 2.96Å; F222-Q226 WeakPolarHBondContact CD2-O 3.39Å; E223-Q226 PolarHBondContact N-O 3.45Å; E223-Q226 PolarHBondContact O-N 3.29Å; E223-Q226 VanDerWaalsContact O-O 3.04Å
227	G	94.7	Very high	91.8	Very high	2 Å²	2	38.9 Å²	38.9	2%	0.021	22%	0.218	C	C	.	.			trans	112.8	163.7	175.1	0	0	0	0	0	114.2	M219 Y256	M219-G227 CarbonylContact O-C 3.41Å; M219-G227 WeakPolarHBondContact O-CA 3.25Å; G227-Y256 VanDerWaalsContact O-CE2 3.24Å; G227-Y256 WeakPolarHBondContact O-CE2 3.39Å
228	V	98.1	Very high	91.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-82.9	-46.4	-163.8	174.9	0	0	0	0	113.1	L195 M219 M220 I252 L253 Y256 A262 V263 I274	L195-V228 HydrophobicContact CD1-CG2 3.87Å; L195-V228 HydrophobicContact CD2-CG2 3.75Å; L195-V228 HydrophobicContact CG-CG2 4.47Å; M219-V228 WeakPolarHBondContact O-CG2 3.44Å; M219-V228 PolarHBondContact O-N 3.4Å; M220-V228 HydrophobicContact CE-CG2 3.97Å; V228-I252 HydrophobicContact CG1-CG2 3.95Å; V228-L253 HydrophobicContact CG1-CD2 4.15Å; V228-L253 HydrophobicContact CG2-CD2 4.45Å; V228-Y256 HydrophobicContact CB-CD2 4.42Å; V228-Y256 HydrophobicContact CB-CG 4.44Å; V228-Y256 HydrophobicContact CG1-CG 4.26Å; V228-Y256 HydrophobicContact CG2-CD1 4.06Å; V228-Y256 HydrophobicContact CG2-CD2 4.37Å; V228-Y256 HydrophobicContact CG2-CE1 4.24Å; V228-Y256 HydrophobicContact CG2-CG 4.15Å; V228-A262 CarbonylContact O-C 3.33Å; V228-A262 WeakPolarHBondContact O-CA 3.28Å; V228-V263 PolarHBondContact O-N 3.01Å; V228-I274 HydrophobicContact CG1-CD1 4.28Å
229	L	98.2	Very high	91.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.3	-162.3	-171.2	71.4	0	0	0	111.8	M220 F222 I252 V263 V270 F271 I274	M220-L229 WeakPolarHBondContact O-CB 3.27Å; M220-L229 PolarHBondContact O-N 2.89Å; F222-L229 PolarHBondContact N-O 3.36Å; L229-I252 HydrophobicContact CD1-CG2 4.02Å; L229-V263 WeakPolarHBondContact CA-O 3.46Å; L229-V263 HydrophobicContact CD1-CB 4.07Å; L229-V263 HydrophobicContact CD1-CG1 4.23Å; L229-V263 WeakPolarHBondContact CD1-O 3.19Å; L229-V270 HydrophobicContact CD2-CB 4.1Å; L229-V270 HydrophobicContact CD2-CG1 3.52Å; L229-F271 HydrophobicContact CB-CD1 4.44Å; L229-F271 HydrophobicContact CB-CE1 3.78Å; L229-F271 HydrophobicContact CB-CZ 4.34Å; L229-F271 HydrophobicContact CD2-CD1 3.92Å; L229-F271 HydrophobicContact CD2-CE1 3.75Å; L229-F271 HydrophobicContact CD2-CE2 4.41Å; L229-F271 HydrophobicContact CD2-CG 4.33Å; L229-F271 HydrophobicContact CD2-CZ 4Å; L229-F271 HydrophobicContact CG-CE1 4.02Å; L229-F271 HydrophobicContact CG-CZ 4.18Å; L229-I274 HydrophobicContact CB-CD1 4.03Å; L229-I274 HydrophobicContact CD2-CD1 3.92Å
230	V	97.8	Very high	91	Very high	37 Å²	37	50.8 Å²	50.8	22%	0.224	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	120.1	173.9	-176.1	0	0	0	0	109.2	F222 A262 V263 F265 G266	F222-V230 HydrophobicContact CB-CG2 3.96Å; F222-V230 HydrophobicContact CD1-CG2 4.02Å; F222-V230 HydrophobicContact CG-CG2 4.19Å; V230-A262 HydrophobicContact CG2-CB 3.76Å; V230-V263 PolarHBondContact N-O 2.84Å; V230-F265 HydrophobicContact CB-CD1 4.04Å; V230-F265 HydrophobicContact CB-CE1 4.39Å; V230-F265 HydrophobicContact CG1-CD1 3.91Å; V230-F265 HydrophobicContact CG1-CE1 3.97Å; V230-F265 CarbonylContact O-C 3.54Å; V230-F265 VanDerWaalsContact O-CA 3.27Å; V230-F265 WeakPolarHBondContact O-CA 3.1Å; V230-G266 PolarHBondContact O-N 3.06Å
231	G	95.1	Very high	90.8	Very high	28 Å²	28	53 Å²	53	29%	0.289	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	137.2	175.7	0	0	0	0	0	112.4	G266	G231-G266 WeakPolarHBondContact CA-O 3.36Å
232	N	92.3	Very high	90.6	Very high	21 Å²	21	52.9 Å²	52.9	11%	0.112	32%	0.315	C	S	.	.			trans	-146.8	123.3	175.3	-172	-2.6	0	0	0	112.2	T234 D236 Y237 F265 G266 Q267	N232-T234 WeakPolarHBondContact OD1-CB 3.11Å; N232-T234 WeakPolarHBondContact OD1-CG2 3.37Å; N232-T234 PolarHBondContact OD1-N 3.05Å; N232-T234 PolarHBondContact OD1-OG1 3.11Å; N232-D236 PolarHBondContact ND2-O 3.23Å; N232-Y237 HydrophobicContact CB-CD1 4.36Å; N232-Y237 HydrophobicContact CB-CE1 4.31Å; N232-F265 HydrophobicContact CB-CB 3.75Å; N232-F265 HydrophobicContact CB-CD1 3.53Å; N232-F265 HydrophobicContact CB-CD2 4.37Å; N232-F265 HydrophobicContact CB-CE1 4.19Å; N232-F265 HydrophobicContact CB-CG 3.63Å; N232-G266 PolarHBondContact N-O 3.12Å; N232-Q267 VanDerWaalsContact O-CG 3.31Å; N232-Q267 WeakPolarHBondContact O-CG 3.39Å; N232-Q267 PolarHBondContact O-NE2 2.93Å; N232-Q267 VanDerWaalsContact O-NE2 3.07Å
233	W	88.6	Confident	90.5	Very high	43 Å²	43	48.8 Å²	48.8	16%	0.163	30%	0.297	C	S	.	.			trans	-127.3	28.7	177.8	-69	-98.3	0	0	0	111.6	G235 Q267 F271 W324 T352 L514 Y515 T516	W233-G235 VanDerWaalsContact C-N 3.35Å; W233-Q267 HydrophobicContact CD2-CG 4Å; W233-Q267 HydrophobicContact CG-CG 4.14Å; W233-Q267 HydrophobicContact CZ2-CB 4.13Å; W233-Q267 HydrophobicContact CZ2-CG 4.18Å; W233-F271 HydrophobicContact CH2-CD2 4.34Å; W233-F271 AromaticContact CH2-CE2 3.77Å; W233-F271 HydrophobicContact CH2-CE2 3.77Å; W233-F271 HydrophobicContact CZ3-CE2 4.47Å; W233-W324 AromaticContact CE2-CH2 3.83Å; W233-W324 HydrophobicContact CZ2-CH2 4.01Å; W233-W324 HydrophobicContact CZ2-CZ3 4.31Å; W233-W324 AromaticContact NE1-CH2 3.57Å; W233-W324 AromaticContact NE1-CZ3 3.62Å; W233-T352 HydrophobicContact CH2-CG2 3.84Å; W233-T352 HydrophobicContact CZ2-CG2 3.81Å; W233-L514 WeakPolarHBondContact O-CD1 3.39Å; W233-Y515 AromaticContact CD1-CE1 3.63Å; W233-Y515 AromaticContact CD1-CZ 3.93Å; W233-Y515 AromaticContact NE1-CE1 3.64Å; W233-Y515 AromaticContact NE1-CZ 3.44Å; W233-Y515 PolarHBondContact NE1-OH 2.71Å; W233-T516 HydrophobicContact CG-CG2 4.11Å
234	T	84.6	Confident	90.4	Very high	79 Å²	79	48.5 Å²	48.5	49%	0.485	29%	0.294	S	S	.	.	S	Bend	trans	-80	-21.6	176.7	62.1	0	0	0	0	112.4	N232 D236	N232-T234 WeakPolarHBondContact OD1-CB 3.11Å; N232-T234 WeakPolarHBondContact OD1-CG2 3.37Å; N232-T234 PolarHBondContact OD1-N 3.05Å; N232-T234 PolarHBondContact OD1-OG1 3.11Å; T234-D236 PolarHBondContact OG1-N 2.95Å; T234-D236 PolarHBondContact OG1-O 3.09Å
235	G	80.6	Confident	90.6	Very high	8 Å²	8	46.1 Å²	46.1	8%	0.082	28%	0.284	C	S	.	.	S	Bend	trans	83.2	-3.8	-167.5	0	0	0	0	0	113.7	W233	W233-G235 VanDerWaalsContact C-N 3.35Å
236	D	84.4	Confident	90.9	Very high	85 Å²	85	44.3 Å²	44.3	46%	0.455	26%	0.259	S	S	.	.			trans	-113.3	120.2	171.8	179.9	7	0	0	0	109.6	N232 T234 Q238	N232-D236 PolarHBondContact ND2-O 3.23Å; T234-D236 PolarHBondContact OG1-N 2.95Å; T234-D236 PolarHBondContact OG1-O 3.09Å; D236-Q238 VanDerWaalsContact OD1-CG 3.31Å; D236-Q238 WeakPolarHBondContact OD1-CG 3.32Å; D236-Q238 PolarHBondContact OD1-N 3.23Å
237	Y	89.2	Confident	90.9	Very high	9 Å²	9	39.5 Å²	39.5	4%	0.035	24%	0.237	C	C	.	.			trans	-116.4	20.6	-173.9	-52	-61.2	0	0	0	112.8	N232 G239 G240 A242 P243 Y244 F265 Q267 D556 D557	N232-Y237 HydrophobicContact CB-CD1 4.36Å; N232-Y237 HydrophobicContact CB-CE1 4.31Å; Y237-G239 PolarHBondContact O-N 2.89Å; Y237-G240 PolarHBondContact O-N 3.15Å; Y237-A242 HydrophobicContact CD2-CB 3.4Å; Y237-A242 HydrophobicContact CE2-CB 4.13Å; Y237-A242 HydrophobicContact CG-CB 3.76Å; Y237-P243 VanDerWaalsContact CD1-CD 3.46Å; Y237-P243 HydrophobicContact CD1-CG 4.26Å; Y237-P243 HydrophobicContact CE1-CG 3.82Å; Y237-Y244 HydrophobicContact CE2-CE1 4.49Å; Y237-F265 HydrophobicContact CD1-CD2 4.24Å; Y237-Q267 PolarHBondContact OH-NE2 2.93Å; Y237-D556 HydrophobicContact CD2-CB 3.78Å; Y237-D556 HydrophobicContact CE2-CB 3.89Å; Y237-D557 PolarHBondContact OH-OD2 2.82Å
238	Q	89.6	Confident	90.9	Very high	164 Å²	164	39.4 Å²	39.4	77%	0.766	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	139.1	172.3	-74.7	-175.5	13.5	0	0	111.5	D236 G240	D236-Q238 VanDerWaalsContact OD1-CG 3.31Å; D236-Q238 WeakPolarHBondContact OD1-CG 3.32Å; D236-Q238 PolarHBondContact OD1-N 3.23Å; Q238-G240 VanDerWaalsContact C-N 3.32Å
239	G	91.1	Very high	90.9	Very high	86 Å²	86	39.4 Å²	39.4	89%	0.887	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.6	3	-177.2	0	0	0	0	0	115.3	Y237	Y237-G239 PolarHBondContact O-N 2.89Å
240	G	94.3	Very high	90.8	Very high	35 Å²	35	39.7 Å²	39.7	36%	0.361	24%	0.239	S	C	.	.	S	Bend	trans	-153.4	-167.1	176.4	0	0	0	0	0	113.8	Y237 Q238	Y237-G240 PolarHBondContact O-N 3.15Å; Q238-G240 VanDerWaalsContact C-N 3.32Å
241	T	93	Very high	90.7	Very high	46 Å²	46	40.2 Å²	40.2	28%	0.282	24%	0.243	S	C	.	.			trans	-94.7	126.9	172.7	-59.8	0	0	0	0	109.3	K245 W246 C264 F265	T241-K245 HydrophobicContact CG2-CB 3.99Å; T241-W246 VanDerWaalsContact CB-CZ2 3.42Å; T241-W246 HydrophobicContact CG2-CD2 3.95Å; T241-W246 HydrophobicContact CG2-CE3 4.37Å; T241-W246 HydrophobicContact CG2-CG 4.5Å; T241-W246 HydrophobicContact CG2-CH2 4.17Å; T241-W246 HydrophobicContact CG2-CZ2 3.73Å; T241-W246 HydrophobicContact CG2-CZ3 4.46Å; T241-C264 PolarHBondContact N-O 2.84Å; T241-F265 PolarHBondContact O-N 2.85Å
242	A	90.4	Very high	90.9	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.033	23%	0.23	C	C	.	.			trans	-60.1	132.7	174.5	0	0	0	0	0	110.9	Y237 Y244 K245	Y237-A242 HydrophobicContact CD2-CB 3.4Å; Y237-A242 HydrophobicContact CE2-CB 4.13Å; Y237-A242 HydrophobicContact CG-CB 3.76Å; A242-Y244 VanDerWaalsContact C-N 3.27Å; A242-Y244 HydrophobicContact CB-CD1 3.83Å; A242-Y244 HydrophobicContact CB-CE1 3.35Å; A242-Y244 PolarHBondContact O-N 3.42Å; A242-Y244 VanDerWaalsContact O-N 3.1Å; A242-K245 HydrophobicContact CB-CD 4.21Å; A242-K245 HydrophobicContact CB-CG 4.22Å; A242-K245 WeakPolarHBondContact O-CB 3.25Å; A242-K245 PolarHBondContact O-N 2.85Å
243	P	92.3	Very high	91.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-52.6	-36.5	-173.1	-30.4	35	0	0	0	115.5	Y237 K245 W246 F265 Q267 W269 V270	Y237-P243 VanDerWaalsContact CD1-CD 3.46Å; Y237-P243 HydrophobicContact CD1-CG 4.26Å; Y237-P243 HydrophobicContact CE1-CG 3.82Å; P243-K245 VanDerWaalsContact C-N 3.26Å; P243-K245 PolarHBondContact O-N 3.46Å; P243-W246 PolarHBondContact O-N 3.48Å; P243-F265 HydrophobicContact CG-CB 4.33Å; P243-Q267 HydrophobicContact CB-CB 3.95Å; P243-Q267 HydrophobicContact CB-CG 3.77Å; P243-Q267 HydrophobicContact CG-CB 4.35Å; P243-Q267 HydrophobicContact CG-CG 3.67Å; P243-W269 HydrophobicContact CB-CH2 4.4Å; P243-W269 HydrophobicContact CB-CZ2 3.88Å; P243-V270 HydrophobicContact CB-CG2 4.26Å
244	Y	87.1	Confident	91.6	Very high	26 Å²	26	38.8 Å²	38.8	10%	0.102	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-69.6	-21.6	-179.7	67.6	-92.2	0	0	0	113.5	K177 Y237 A242 W246 D556 K672	K177-Y244 PolarHBondContact NZ-O 3.06Å; Y237-Y244 HydrophobicContact CE2-CE1 4.49Å; A242-Y244 VanDerWaalsContact C-N 3.27Å; A242-Y244 HydrophobicContact CB-CD1 3.83Å; A242-Y244 HydrophobicContact CB-CE1 3.35Å; A242-Y244 PolarHBondContact O-N 3.42Å; A242-Y244 VanDerWaalsContact O-N 3.1Å; Y244-W246 VanDerWaalsContact C-N 3.33Å; Y244-D556 WeakPolarHBondContact CD1-O 3.4Å; Y244-D556 HydrophobicContact CE1-CB 4.28Å; Y244-D556 WeakPolarHBondContact CE1-O 3.34Å; Y244-K672 HydrophobicContact CD2-CB 4.37Å
245	K	87.7	Confident	92.2	Very high	124 Å²	124	39 Å²	39	54%	0.539	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-73	-26.3	178.6	-67	-176	177	177.2	0	112.3	T241 A242 P243 T247	T241-K245 HydrophobicContact CG2-CB 3.99Å; A242-K245 HydrophobicContact CB-CD 4.21Å; A242-K245 HydrophobicContact CB-CG 4.22Å; A242-K245 WeakPolarHBondContact O-CB 3.25Å; A242-K245 PolarHBondContact O-N 2.85Å; P243-K245 VanDerWaalsContact C-N 3.26Å; P243-K245 PolarHBondContact O-N 3.46Å; K245-T247 PolarHBondContact O-N 2.85Å
246	W	91.1	Very high	93.1	Very high	20 Å²	20	39.2 Å²	39.2	8%	0.076	22%	0.224	C	C	.	.			trans	-61.6	139.9	176.4	-62.8	118.9	0	0	0	111.6	W179 T241 P243 Y244 P251 I252 V263 F265 V270 K665	W179-W246 HydrophobicContact CH2-CB 3.69Å; W179-W246 HydrophobicContact CZ3-CB 3.92Å; T241-W246 VanDerWaalsContact CB-CZ2 3.42Å; T241-W246 HydrophobicContact CG2-CD2 3.95Å; T241-W246 HydrophobicContact CG2-CE3 4.37Å; T241-W246 HydrophobicContact CG2-CG 4.5Å; T241-W246 HydrophobicContact CG2-CH2 4.17Å; T241-W246 HydrophobicContact CG2-CZ2 3.73Å; T241-W246 HydrophobicContact CG2-CZ3 4.46Å; P243-W246 PolarHBondContact O-N 3.48Å; Y244-W246 VanDerWaalsContact C-N 3.33Å; W246-P251 HydrophobicContact CZ3-CB 4.17Å; W246-I252 HydrophobicContact CD2-CD1 3.78Å; W246-I252 HydrophobicContact CD2-CG1 3.84Å; W246-I252 HydrophobicContact CE3-CD1 4.08Å; W246-I252 HydrophobicContact CE3-CG1 3.71Å; W246-I252 HydrophobicContact CG-CD1 4.01Å; W246-I252 HydrophobicContact CH2-CG1 3.86Å; W246-I252 HydrophobicContact CZ2-CD1 4.48Å; W246-I252 HydrophobicContact CZ2-CG1 3.96Å; W246-I252 HydrophobicContact CZ3-CG1 3.74Å; W246-V263 HydrophobicContact CH2-CG1 4.09Å; W246-V263 HydrophobicContact CZ2-CG1 3.79Å; W246-F265 PolarHBondContact NE1-O 3.35Å; W246-V270 HydrophobicContact CG-CG1 4.43Å; W246-K665 PolarHBondContact O-NZ 3.36Å
247	T	88.9	Confident	93.7	Very high	12 Å²	12	38.3 Å²	38.3	7%	0.074	22%	0.215	C	C	.	.			trans	-122.6	-12.3	-175.8	39.2	0	0	0	0	111.9	W179 N180 K245 E625 K665	W179-T247 CarbonylContact C-O 3.47Å; W179-T247 WeakPolarHBondContact CA-O 3.46Å; N180-T247 PolarHBondContact N-O 3.46Å; K245-T247 PolarHBondContact O-N 2.85Å; T247-E625 WeakPolarHBondContact CB-OE2 3.19Å; T247-E625 WeakPolarHBondContact CG2-OE2 3.47Å; T247-E625 PolarHBondContact OG1-OE1 3.45Å; T247-E625 VanDerWaalsContact OG1-OE1 3.07Å; T247-E625 PolarHBondContact OG1-OE2 3Å; T247-K665 HydrophobicContact CG2-CD 4.06Å; T247-K665 VanDerWaalsContact CG2-CE 3.42Å
248	G	94.3	Very high	94.1	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.01	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-174.3	169	-174.6	0	0	0	0	0	113.4	W179 N180	W179-G248 VanDerWaalsContact CZ2-C 3.42Å; N180-G248 CarbonylContact O-C 3.53Å; N180-G248 WeakPolarHBondContact O-CA 3.41Å
249	S	98.4	Very high	94.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-89.6	-29.6	-174.3	-60.1	0	0	0	0	113.4	W179 N180 I252 L253 G273 I274 T277	W179-S249 PolarHBondContact NE1-OG 3.46Å; N180-S249 PolarHBondContact O-N 3.29Å; S249-I252 PolarHBondContact O-N 3.02Å; S249-L253 PolarHBondContact O-N 3.3Å; S249-G273 PolarHBondContact OG-O 2.83Å; S249-I274 WeakPolarHBondContact OG-CA 3.41Å; S249-I274 PolarHBondContact OG-N 3.45Å; S249-T277 WeakPolarHBondContact CB-OG1 3.37Å; S249-T277 PolarHBondContact OG-OG1 3.5Å
250	A	96.3	Very high	94.5	Very high	5 Å²	5	38.1 Å²	38.1	4%	0.041	20%	0.203	C	C	.	.	H	α-helix	trans	-57	-47.1	-176.5	0	0	0	0	0	113.3	E185 V188 I252 L253 Q254	E185-A250 HydrophobicContact CB-CB 4.07Å; E185-A250 HydrophobicContact CG-CB 4.05Å; V188-A250 HydrophobicContact CG2-CB 3.9Å; A250-I252 VanDerWaalsContact C-N 3.3Å; A250-I252 PolarHBondContact O-N 2.98Å; A250-L253 PolarHBondContact O-N 3.33Å; A250-Q254 VanDerWaalsContact O-CB 3.25Å; A250-Q254 WeakPolarHBondContact O-CB 3.49Å; A250-Q254 WeakPolarHBondContact O-CG 3.38Å; A250-Q254 PolarHBondContact O-N 3.46Å; A250-Q254 PolarHBondContact O-OE1 3.3Å
251	P	95.7	Very high	94.6	Very high	49 Å²	49	43.1 Å²	43.1	32%	0.318	22%	0.218	S	C	.	.	H	α-helix	trans	-60	-38.3	178	-25.2	35.9	0	0	0	113.4	W246 Q255	W246-P251 HydrophobicContact CZ3-CB 4.17Å; P251-Q255 VanDerWaalsContact O-CB 3.27Å; P251-Q255 WeakPolarHBondContact O-CB 3.42Å; P251-Q255 PolarHBondContact O-N 3.22Å
252	I	98.4	Very high	94.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.9	-51.3	179.1	-59.7	172	0	0	0	109.9	V228 L229 W246 S249 A250 Q254 Q255 Y256 V263 V270 I274	V228-I252 HydrophobicContact CG1-CG2 3.95Å; L229-I252 HydrophobicContact CD1-CG2 4.02Å; W246-I252 HydrophobicContact CD2-CD1 3.78Å; W246-I252 HydrophobicContact CD2-CG1 3.84Å; W246-I252 HydrophobicContact CE3-CD1 4.08Å; W246-I252 HydrophobicContact CE3-CG1 3.71Å; W246-I252 HydrophobicContact CG-CD1 4.01Å; W246-I252 HydrophobicContact CH2-CG1 3.86Å; W246-I252 HydrophobicContact CZ2-CD1 4.48Å; W246-I252 HydrophobicContact CZ2-CG1 3.96Å; W246-I252 HydrophobicContact CZ3-CG1 3.74Å; S249-I252 PolarHBondContact O-N 3.02Å; A250-I252 VanDerWaalsContact C-N 3.3Å; A250-I252 PolarHBondContact O-N 2.98Å; I252-Q254 PolarHBondContact O-N 2.88Å; I252-Q255 PolarHBondContact O-N 3.01Å; I252-Y256 PolarHBondContact O-N 3Å; I252-V263 HydrophobicContact CG2-CB 4.1Å; I252-V263 HydrophobicContact CG2-CG1 4.18Å; I252-V263 HydrophobicContact CG2-CG2 4.16Å; I252-V270 HydrophobicContact CD1-CG1 3.49Å; I252-V270 VanDerWaalsContact CD1-CG1 3.49Å; I252-I274 HydrophobicContact CB-CG2 4.35Å; I252-I274 HydrophobicContact CD1-CG2 3.98Å; I252-I274 HydrophobicContact CG2-CG2 4.24Å
253	L	98.6	Very high	95.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.3	-37.8	-178.7	-67.7	171.3	0	0	0	111.9	V188 L195 V228 S249 A250 Y257 T277 V278	V188-L253 HydrophobicContact CG1-CD1 3.89Å; L195-L253 HydrophobicContact CD1-CD2 4.43Å; V228-L253 HydrophobicContact CG1-CD2 4.15Å; V228-L253 HydrophobicContact CG2-CD2 4.45Å; S249-L253 PolarHBondContact O-N 3.3Å; A250-L253 PolarHBondContact O-N 3.33Å; L253-Y257 WeakPolarHBondContact O-CB 3.13Å; L253-Y257 PolarHBondContact O-N 3.45Å; L253-T277 HydrophobicContact CD1-CG2 3.86Å; L253-V278 HydrophobicContact CD1-CG2 4.17Å; L253-V278 HydrophobicContact CD2-CG2 4.18Å
254	Q	97.7	Very high	95.4	Very high	61 Å²	61	43.7 Å²	43.7	29%	0.285	22%	0.224	S	C	.	.	H	α-helix	trans	-66.6	-41.8	175.7	-73.2	168.5	-17.3	0	0	112	K186 N187 V188 A250 I252 Y257 S258	K186-Q254 PolarHBondContact O-NE2 2.91Å; N187-Q254 HydrophobicContact CB-CG 4.49Å; V188-Q254 HydrophobicContact CG2-CG 4.36Å; A250-Q254 VanDerWaalsContact O-CB 3.25Å; A250-Q254 WeakPolarHBondContact O-CB 3.49Å; A250-Q254 WeakPolarHBondContact O-CG 3.38Å; A250-Q254 PolarHBondContact O-N 3.46Å; A250-Q254 PolarHBondContact O-OE1 3.3Å; I252-Q254 PolarHBondContact O-N 2.88Å; Q254-Y257 PolarHBondContact O-N 2.61Å; Q254-S258 WeakPolarHBondContact O-CB 3.31Å; Q254-S258 PolarHBondContact O-N 2.83Å; Q254-S258 PolarHBondContact O-OG 3.46Å
255	Q	97.8	Very high	95.8	Very high	84 Å²	84	43.8 Å²	43.8	39%	0.393	23%	0.225	S	C	.	.	H	α-helix	trans	-61.1	-53.3	174.3	-177.3	176.7	-19.1	0	0	110.1	P251 I252 Y257 S258 T259 V263	P251-Q255 VanDerWaalsContact O-CB 3.27Å; P251-Q255 WeakPolarHBondContact O-CB 3.42Å; P251-Q255 PolarHBondContact O-N 3.22Å; I252-Q255 PolarHBondContact O-N 3.01Å; Q255-Y257 VanDerWaalsContact C-N 3.31Å; Q255-Y257 PolarHBondContact O-N 3.48Å; Q255-S258 PolarHBondContact O-N 3.49Å; Q255-S258 PolarHBondContact O-OG 2.95Å; Q255-T259 HydrophobicContact CG-CG2 4.43Å; Q255-T259 WeakPolarHBondContact O-CG2 3.25Å; Q255-T259 PolarHBondContact O-N 3.33Å; Q255-T259 PolarHBondContact O-OG1 3.31Å; Q255-V263 HydrophobicContact CB-CG2 4.05Å; Q255-V263 HydrophobicContact CG-CG2 4Å
256	Y	98.1	Very high	96.2	Very high	13 Å²	13	37.9 Å²	37.9	5%	0.051	20%	0.2	C	C	.	.	H	α-helix	trans	-55.6	-45.8	177	175	-96.7	0	0	0	111.8	L195 E198 G227 V228 I252 S258 K260 Q261	L195-Y256 HydrophobicContact CD2-CD1 4.29Å; L195-Y256 HydrophobicContact CD2-CE1 3.49Å; L195-Y256 VanDerWaalsContact CD2-CE1 3.49Å; L195-Y256 HydrophobicContact CG-CE1 4.29Å; E198-Y256 PolarHBondContact OE2-OH 3.34Å; G227-Y256 VanDerWaalsContact O-CE2 3.24Å; G227-Y256 WeakPolarHBondContact O-CE2 3.39Å; V228-Y256 HydrophobicContact CB-CD2 4.42Å; V228-Y256 HydrophobicContact CB-CG 4.44Å; V228-Y256 HydrophobicContact CG1-CG 4.26Å; V228-Y256 HydrophobicContact CG2-CD1 4.06Å; V228-Y256 HydrophobicContact CG2-CD2 4.37Å; V228-Y256 HydrophobicContact CG2-CE1 4.24Å; V228-Y256 HydrophobicContact CG2-CG 4.15Å; I252-Y256 PolarHBondContact O-N 3Å; Y256-S258 VanDerWaalsContact C-N 3.34Å; Y256-S258 PolarHBondContact O-N 3.48Å; Y256-K260 WeakPolarHBondContact O-CA 3.41Å; Y256-K260 PolarHBondContact O-N 3.44Å; Y256-Q261 WeakPolarHBondContact CD2-O 3.38Å
257	Y	97.3	Very high	96.4	Very high	66 Å²	66	36.9 Å²	36.9	26%	0.259	20%	0.196	S	C	.	.	H	α-helix	trans	-64.3	-38.2	-177.9	-174.6	-110.7	0	0	0	113.2	N187 D190 C191 L253 Q254 Q255 K260	N187-Y257 HydrophobicContact CB-CD1 3.92Å; N187-Y257 HydrophobicContact CB-CE1 4.24Å; D190-Y257 HydrophobicContact CB-CE1 4.29Å; D190-Y257 HydrophobicContact CB-CE2 4.32Å; C191-Y257 VanDerWaalsContact CA-CD2 3.49Å; C191-Y257 HydrophobicContact CB-CD2 3.82Å; C191-Y257 HydrophobicContact CB-CG 3.97Å; L253-Y257 WeakPolarHBondContact O-CB 3.13Å; L253-Y257 PolarHBondContact O-N 3.45Å; Q254-Y257 PolarHBondContact O-N 2.61Å; Q255-Y257 VanDerWaalsContact C-N 3.31Å; Q255-Y257 PolarHBondContact O-N 3.48Å; Y257-K260 VanDerWaalsContact CD2-NZ 3.3Å; Y257-K260 WeakPolarHBondContact O-CD 3.3Å; Y257-K260 WeakPolarHBondContact O-CE 3.28Å; Y257-K260 PolarHBondContact O-NZ 3.22Å
258	S	97.3	Very high	96.8	Very high	88 Å²	88	36.3 Å²	36.3	62%	0.615	19%	0.192	S	C	*	.	H	α-helix	trans	-76.9	-40.5	-179.3	61.6	0	0	0	0	113.1	Q254 Q255 Y256	Q254-S258 WeakPolarHBondContact O-CB 3.31Å; Q254-S258 PolarHBondContact O-N 2.83Å; Q254-S258 PolarHBondContact O-OG 3.46Å; Q255-S258 PolarHBondContact O-N 3.49Å; Q255-S258 PolarHBondContact O-OG 2.95Å; Y256-S258 VanDerWaalsContact C-N 3.34Å; Y256-S258 PolarHBondContact O-N 3.48Å
259	T	96.4	Very high	96.9	Very high	63 Å²	63	36.8 Å²	36.8	39%	0.387	19%	0.194	S	C	.	.	H	α-helix	trans	-91.2	-22.5	-176	64.7	0	0	0	0	113.2	Q255 Q261	Q255-T259 HydrophobicContact CG-CG2 4.43Å; Q255-T259 WeakPolarHBondContact O-CG2 3.25Å; Q255-T259 PolarHBondContact O-N 3.33Å; Q255-T259 PolarHBondContact O-OG1 3.31Å; T259-Q261 PolarHBondContact O-N 2.94Å; T259-Q261 PolarHBondContact OG1-N 2.9Å; T259-Q261 VanDerWaalsContact OG1-N 3.13Å; T259-Q261 PolarHBondContact OG1-O 2.92Å
260	K	94.1	Very high	96.9	Very high	103 Å²	103	36.8 Å²	36.8	45%	0.448	19%	0.194	S	C	.	.			trans	55.4	26.7	-167.4	-53.9	-57.9	-173.1	-179.7	0	112.9	S194 E198 Y256 Y257	S194-K260 PolarHBondContact OG-NZ 3.1Å; E198-K260 IonicContact OE1-NZ 3.9Å; Y256-K260 WeakPolarHBondContact O-CA 3.41Å; Y256-K260 PolarHBondContact O-N 3.44Å; Y257-K260 VanDerWaalsContact CD2-NZ 3.3Å; Y257-K260 WeakPolarHBondContact O-CD 3.3Å; Y257-K260 WeakPolarHBondContact O-CE 3.28Å; Y257-K260 PolarHBondContact O-NZ 3.22Å
261	Q	95.9	Very high	97	Very high	141 Å²	141	36.5 Å²	36.5	66%	0.659	19%	0.192	S	C	*	.	S	Bend	trans	-120.2	146	177.9	-67.2	-177.9	-13.5	0	0	109.8	Y256 T259	Y256-Q261 WeakPolarHBondContact CD2-O 3.38Å; T259-Q261 PolarHBondContact O-N 2.94Å; T259-Q261 PolarHBondContact OG1-N 2.9Å; T259-Q261 VanDerWaalsContact OG1-N 3.13Å; T259-Q261 PolarHBondContact OG1-O 2.92Å
262	A	96.9	Very high	97.2	Very high	26 Å²	26	34.2 Å²	34.2	22%	0.215	18%	0.177	C	C	.	.			trans	-59.4	142.4	175.6	0	0	0	0	0	111.4	F222 V228 V230	F222-A262 HydrophobicContact CB-CB 3.81Å; F222-A262 HydrophobicContact CD1-CB 4.23Å; F222-A262 HydrophobicContact CD2-CB 3.39Å; F222-A262 HydrophobicContact CE2-CB 3.9Å; F222-A262 HydrophobicContact CG-CB 3.54Å; V228-A262 CarbonylContact O-C 3.33Å; V228-A262 WeakPolarHBondContact O-CA 3.28Å; V230-A262 HydrophobicContact CG2-CB 3.76Å
263	V	98.3	Very high	97.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	136	-179.4	-177.1	0	0	0	0	109.1	V228 L229 V230 W246 I252 Q255	V228-V263 PolarHBondContact O-N 3.01Å; L229-V263 WeakPolarHBondContact CA-O 3.46Å; L229-V263 HydrophobicContact CD1-CB 4.07Å; L229-V263 HydrophobicContact CD1-CG1 4.23Å; L229-V263 WeakPolarHBondContact CD1-O 3.19Å; V230-V263 PolarHBondContact N-O 2.84Å; W246-V263 HydrophobicContact CH2-CG1 4.09Å; W246-V263 HydrophobicContact CZ2-CG1 3.79Å; I252-V263 HydrophobicContact CG2-CB 4.1Å; I252-V263 HydrophobicContact CG2-CG1 4.18Å; I252-V263 HydrophobicContact CG2-CG2 4.16Å; Q255-V263 HydrophobicContact CB-CG2 4.05Å; Q255-V263 HydrophobicContact CG-CG2 4Å
264	C	97.1	Very high	97.2	Very high	36 Å²	36	34.2 Å²	34.2	24%	0.243	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.2	175.3	-67	0	0	0	0	109.1	T241	T241-C264 PolarHBondContact N-O 2.84Å
265	F	96.5	Very high	97.2	Very high	27 Å²	27	31.3 Å²	31.3	12%	0.118	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-131.2	166.9	-5.4	-63.4	-74.7	0	0	0	111.9	V230 N232 Y237 T241 P243 W246	V230-F265 HydrophobicContact CB-CD1 4.04Å; V230-F265 HydrophobicContact CB-CE1 4.39Å; V230-F265 HydrophobicContact CG1-CD1 3.91Å; V230-F265 HydrophobicContact CG1-CE1 3.97Å; V230-F265 CarbonylContact O-C 3.54Å; V230-F265 VanDerWaalsContact O-CA 3.27Å; V230-F265 WeakPolarHBondContact O-CA 3.1Å; N232-F265 HydrophobicContact CB-CB 3.75Å; N232-F265 HydrophobicContact CB-CD1 3.53Å; N232-F265 HydrophobicContact CB-CD2 4.37Å; N232-F265 HydrophobicContact CB-CE1 4.19Å; N232-F265 HydrophobicContact CB-CG 3.63Å; Y237-F265 HydrophobicContact CD1-CD2 4.24Å; T241-F265 PolarHBondContact O-N 2.85Å; P243-F265 HydrophobicContact CG-CB 4.33Å; W246-F265 PolarHBondContact NE1-O 3.35Å
266	G	96.1	Very high	97.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	160.2	179.3	0	0	0	0	0	114.5	V230 G231 N232	V230-G266 PolarHBondContact O-N 3.06Å; G231-G266 WeakPolarHBondContact CA-O 3.36Å; N232-G266 PolarHBondContact N-O 3.12Å
267	Q	95.2	Very high	97.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.			trans	-139.4	177.9	167.8	-76.9	-176.2	1.4	0	0	108.9	N232 W233 Y237 P243 W269 V270 F271 Y515 D557	N232-Q267 VanDerWaalsContact O-CG 3.31Å; N232-Q267 WeakPolarHBondContact O-CG 3.39Å; N232-Q267 PolarHBondContact O-NE2 2.93Å; N232-Q267 VanDerWaalsContact O-NE2 3.07Å; W233-Q267 HydrophobicContact CD2-CG 4Å; W233-Q267 HydrophobicContact CG-CG 4.14Å; W233-Q267 HydrophobicContact CZ2-CB 4.13Å; W233-Q267 HydrophobicContact CZ2-CG 4.18Å; Y237-Q267 PolarHBondContact OH-NE2 2.93Å; P243-Q267 HydrophobicContact CB-CB 3.95Å; P243-Q267 HydrophobicContact CB-CG 3.77Å; P243-Q267 HydrophobicContact CG-CB 4.35Å; P243-Q267 HydrophobicContact CG-CG 3.67Å; Q267-W269 HydrophobicContact CB-CE3 4.15Å; Q267-W269 HydrophobicContact CB-CH2 4Å; Q267-W269 HydrophobicContact CB-CZ2 4.32Å; Q267-W269 HydrophobicContact CB-CZ3 3.87Å; Q267-W269 PolarHBondContact O-N 3.33Å; Q267-W269 VanDerWaalsContact O-N 3.17Å; Q267-V270 WeakPolarHBondContact O-CA 3.13Å; Q267-V270 WeakPolarHBondContact O-CB 3.24Å; Q267-V270 PolarHBondContact O-N 2.79Å; Q267-F271 VanDerWaalsContact O-CD2 3.23Å; Q267-F271 WeakPolarHBondContact O-CD2 2.96Å; Q267-F271 PolarHBondContact O-N 3.35Å; Q267-Y515 WeakPolarHBondContact CB-OH 3.27Å; Q267-D557 PolarHBondContact NE2-OD2 2.79Å
268	C	96.4	Very high	97.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-49.2	-48.9	-166.9	61.2	0	0	0	0	114.3	V270 F271 A272 W324 H327 T352 Y515	C268-V270 VanDerWaalsContact C-N 3.27Å; C268-V270 PolarHBondContact O-N 2.85Å; C268-F271 WeakPolarHBondContact O-CB 3.4Å; C268-F271 PolarHBondContact O-N 3.25Å; C268-F271 VanDerWaalsContact O-N 3.15Å; C268-A272 WeakPolarHBondContact O-CB 3.17Å; C268-A272 PolarHBondContact O-N 3.25Å; C268-W324 HydrophobicContact CB-CZ3 4.43Å; C268-H327 VanDerWaalsContact CB-ND1 3.26Å; C268-H327 WeakPolarHBondContact CB-ND1 3.43Å; C268-T352 WeakPolarHBondContact CA-OG1 3.44Å; C268-T352 HydrophobicContact CB-CG2 4.17Å; C268-Y515 PolarHBondContact N-OH 3.02Å; C268-Y515 PolarHBondContact SG-OH 2.98Å
269	W	97.1	Very high	97.5	Very high	10 Å²	10	19.3 Å²	19.3	4%	0.038	10%	0.1	C	C	.	.	H	α-helix	trans	-65.8	-27.8	179.2	70.9	82.9	0	0	0	113.6	H166 P243 Q267 G273 F326 V328 Y515	H166-W269 HydrophobicContact CB-CB 4.45Å; H166-W269 PolarHBondContact CE1-O 2.93Å; P243-W269 HydrophobicContact CB-CH2 4.4Å; P243-W269 HydrophobicContact CB-CZ2 3.88Å; Q267-W269 HydrophobicContact CB-CE3 4.15Å; Q267-W269 HydrophobicContact CB-CH2 4Å; Q267-W269 HydrophobicContact CB-CZ2 4.32Å; Q267-W269 HydrophobicContact CB-CZ3 3.87Å; Q267-W269 PolarHBondContact O-N 3.33Å; Q267-W269 VanDerWaalsContact O-N 3.17Å; W269-G273 PolarHBondContact O-N 2.98Å; W269-F326 AromaticContact CE3-CE2 3.94Å; W269-F326 HydrophobicContact CE3-CE2 3.94Å; W269-F326 HydrophobicContact CE3-CZ 4.02Å; W269-F326 HydrophobicContact CZ3-CE2 4.4Å; W269-F326 HydrophobicContact CZ3-CZ 4.05Å; W269-V328 HydrophobicContact CB-CB 4.21Å; W269-V328 HydrophobicContact CB-CG1 4.5Å; W269-V328 HydrophobicContact CB-CG2 3.93Å; W269-Y515 HydrophobicContact CH2-CE1 4.47Å; W269-Y515 HydrophobicContact CZ3-CD1 4.39Å; W269-Y515 AromaticContact CZ3-CE1 3.81Å; W269-Y515 HydrophobicContact CZ3-CE1 3.81Å; W269-Y515 HydrophobicContact CZ3-CE2 4.4Å; W269-Y515 AromaticContact CZ3-CZ 3.76Å
270	V	98.2	Very high	97.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-71.8	-46.1	174.8	-171.4	0	0	0	0	108.9	W179 L229 P243 W246 I252 Q267 C268 G273 I274	W179-V270 HydrophobicContact CH2-CB 4.38Å; W179-V270 HydrophobicContact CH2-CG1 4.07Å; W179-V270 HydrophobicContact CH2-CG2 4.34Å; L229-V270 HydrophobicContact CD2-CB 4.1Å; L229-V270 HydrophobicContact CD2-CG1 3.52Å; P243-V270 HydrophobicContact CB-CG2 4.26Å; W246-V270 HydrophobicContact CG-CG1 4.43Å; I252-V270 HydrophobicContact CD1-CG1 3.49Å; I252-V270 VanDerWaalsContact CD1-CG1 3.49Å; Q267-V270 WeakPolarHBondContact O-CA 3.13Å; Q267-V270 WeakPolarHBondContact O-CB 3.24Å; Q267-V270 PolarHBondContact O-N 2.79Å; C268-V270 VanDerWaalsContact C-N 3.27Å; C268-V270 PolarHBondContact O-N 2.85Å; V270-G273 PolarHBondContact O-N 2.84Å; V270-I274 WeakPolarHBondContact O-CG1 3.34Å; V270-I274 PolarHBondContact O-N 2.8Å
271	F	98.6	Very high	97.8	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-58.7	-48	174.9	-73.4	-69.5	0	0	0	111.9	M220 L229 W233 Q267 C268 G273 I274 L275 A351 T352 P353	M220-F271 HydrophobicContact CB-CD1 4.31Å; L229-F271 HydrophobicContact CB-CD1 4.44Å; L229-F271 HydrophobicContact CB-CE1 3.78Å; L229-F271 HydrophobicContact CB-CZ 4.34Å; L229-F271 HydrophobicContact CD2-CD1 3.92Å; L229-F271 HydrophobicContact CD2-CE1 3.75Å; L229-F271 HydrophobicContact CD2-CE2 4.41Å; L229-F271 HydrophobicContact CD2-CG 4.33Å; L229-F271 HydrophobicContact CD2-CZ 4Å; L229-F271 HydrophobicContact CG-CE1 4.02Å; L229-F271 HydrophobicContact CG-CZ 4.18Å; W233-F271 HydrophobicContact CH2-CD2 4.34Å; W233-F271 AromaticContact CH2-CE2 3.77Å; W233-F271 HydrophobicContact CH2-CE2 3.77Å; W233-F271 HydrophobicContact CZ3-CE2 4.47Å; Q267-F271 VanDerWaalsContact O-CD2 3.23Å; Q267-F271 WeakPolarHBondContact O-CD2 2.96Å; Q267-F271 PolarHBondContact O-N 3.35Å; C268-F271 WeakPolarHBondContact O-CB 3.4Å; C268-F271 PolarHBondContact O-N 3.25Å; C268-F271 VanDerWaalsContact O-N 3.15Å; F271-G273 VanDerWaalsContact C-N 3.35Å; F271-G273 PolarHBondContact O-N 2.75Å; F271-I274 HydrophobicContact CD1-CD1 4.29Å; F271-I274 WeakPolarHBondContact O-CG1 3.46Å; F271-I274 PolarHBondContact O-N 2.99Å; F271-L275 WeakPolarHBondContact O-CB 3.42Å; F271-L275 PolarHBondContact O-N 3.22Å; F271-A351 HydrophobicContact CB-CB 4.02Å; F271-T352 HydrophobicContact CD2-CG2 4.39Å; F271-P353 HydrophobicContact CZ-CG 4.5Å
272	A	98.6	Very high	98	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-61.7	-41.5	176	0	0	0	0	0	112.4	C268 L275 T276 V328 T330	C268-A272 WeakPolarHBondContact O-CB 3.17Å; C268-A272 PolarHBondContact O-N 3.25Å; A272-L275 PolarHBondContact O-N 2.88Å; A272-T276 VanDerWaalsContact O-CB 3.28Å; A272-T276 WeakPolarHBondContact O-CB 3.33Å; A272-T276 PolarHBondContact O-N 3.02Å; A272-T276 PolarHBondContact O-OG1 2.61Å; A272-V328 HydrophobicContact CB-CB 4.19Å; A272-V328 HydrophobicContact CB-CG1 3.62Å; A272-T330 PolarHBondContact O-OG1 2.93Å
273	G	98.6	Very high	98	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-61	-48.8	176.6	0	0	0	0	0	112.7	S249 W269 V270 F271 T277	S249-G273 PolarHBondContact OG-O 2.83Å; W269-G273 PolarHBondContact O-N 2.98Å; V270-G273 PolarHBondContact O-N 2.84Å; F271-G273 VanDerWaalsContact C-N 3.35Å; F271-G273 PolarHBondContact O-N 2.75Å; G273-T277 WeakPolarHBondContact O-CB 3.24Å; G273-T277 PolarHBondContact O-N 2.65Å; G273-T277 PolarHBondContact O-OG1 3.08Å
274	I	98.6	Very high	98.1	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-66.7	-41.3	177.5	62.7	172.7	0	0	0	111.9	M220 V228 L229 S249 I252 V270 F271 T277 V278	M220-I274 HydrophobicContact CB-CD1 3.78Å; M220-I274 HydrophobicContact CB-CG1 4.22Å; M220-I274 HydrophobicContact CG-CD1 3.94Å; M220-I274 HydrophobicContact CG-CG1 3.92Å; M220-I274 HydrophobicContact SD-CB 3.94Å; M220-I274 HydrophobicContact SD-CD1 3.55Å; M220-I274 VanDerWaalsContact SD-CD1 3.55Å; M220-I274 HydrophobicContact SD-CG1 3.52Å; M220-I274 VanDerWaalsContact SD-CG1 3.52Å; V228-I274 HydrophobicContact CG1-CD1 4.28Å; L229-I274 HydrophobicContact CB-CD1 4.03Å; L229-I274 HydrophobicContact CD2-CD1 3.92Å; S249-I274 WeakPolarHBondContact OG-CA 3.41Å; S249-I274 PolarHBondContact OG-N 3.45Å; I252-I274 HydrophobicContact CB-CG2 4.35Å; I252-I274 HydrophobicContact CD1-CG2 3.98Å; I252-I274 HydrophobicContact CG2-CG2 4.24Å; V270-I274 WeakPolarHBondContact O-CG1 3.34Å; V270-I274 PolarHBondContact O-N 2.8Å; F271-I274 HydrophobicContact CD1-CD1 4.29Å; F271-I274 WeakPolarHBondContact O-CG1 3.46Å; F271-I274 PolarHBondContact O-N 2.99Å; I274-T277 WeakPolarHBondContact O-CB 3.46Å; I274-T277 PolarHBondContact O-N 2.62Å; I274-V278 WeakPolarHBondContact O-CG2 3.34Å; I274-V278 PolarHBondContact O-N 2.78Å
275	L	98.9	Very high	98.2	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.009	C	C	.	.	H	α-helix	trans	-62.2	-48.9	177.5	-179.1	59	0	0	0	110.9	M216 M220 F271 A272 T277 V278 L279 T330 V349 A351	M216-L275 HydrophobicContact CB-CD1 4.01Å; M220-L275 HydrophobicContact CG-CB 3.98Å; M220-L275 HydrophobicContact CG-CD1 4.13Å; F271-L275 WeakPolarHBondContact O-CB 3.42Å; F271-L275 PolarHBondContact O-N 3.22Å; A272-L275 PolarHBondContact O-N 2.88Å; L275-T277 VanDerWaalsContact C-N 3.26Å; L275-T277 PolarHBondContact O-N 2.9Å; L275-V278 PolarHBondContact O-N 3.1Å; L275-V278 VanDerWaalsContact O-N 3.15Å; L275-L279 HydrophobicContact CD1-CD1 4.17Å; L275-L279 HydrophobicContact CD1-CD2 4.33Å; L275-L279 HydrophobicContact CD1-CG 4.03Å; L275-L279 HydrophobicContact CG-CD1 4.11Å; L275-L279 HydrophobicContact CG-CG 4.33Å; L275-L279 WeakPolarHBondContact O-CG 3.27Å; L275-L279 PolarHBondContact O-N 2.88Å; L275-T330 HydrophobicContact CG-CG2 4.44Å; L275-V349 HydrophobicContact CD2-CB 4.19Å; L275-V349 HydrophobicContact CD2-CG1 3.77Å; L275-A351 HydrophobicContact CB-CB 4.15Å; L275-A351 HydrophobicContact CD2-CB 3.89Å
276	T	98.9	Very high	98.3	Very high	0 Å²	0	0.8 Å²	0.8	0%	0	0%	0.003	C	C	.	.	H	α-helix	trans	-55.9	-43.5	176	-64.1	0	0	0	0	111.1	F181 A272 L279 R280 A286 S288 T330	F181-T276 HydrophobicContact CD1-CG2 3.93Å; F181-T276 HydrophobicContact CE1-CG2 3.49Å; F181-T276 VanDerWaalsContact CE1-CG2 3.49Å; F181-T276 HydrophobicContact CE2-CG2 4.37Å; F181-T276 HydrophobicContact CZ-CG2 3.73Å; A272-T276 VanDerWaalsContact O-CB 3.28Å; A272-T276 WeakPolarHBondContact O-CB 3.33Å; A272-T276 PolarHBondContact O-N 3.02Å; A272-T276 PolarHBondContact O-OG1 2.61Å; T276-L279 PolarHBondContact O-N 3.07Å; T276-R280 HydrophobicContact CG2-CG 4.35Å; T276-R280 WeakPolarHBondContact O-CB 3.44Å; T276-R280 VanDerWaalsContact O-CG 3.24Å; T276-R280 WeakPolarHBondContact O-CG 3.32Å; T276-R280 PolarHBondContact O-N 3.02Å; T276-A286 HydrophobicContact CG2-CB 4.23Å; T276-S288 PolarHBondContact OG1-OG 3.31Å; T276-T330 VanDerWaalsContact OG1-CG2 3.3Å; T276-T330 WeakPolarHBondContact OG1-CG2 3.48Å; T276-T330 PolarHBondContact OG1-OG1 3.38Å; T276-T330 VanDerWaalsContact OG1-OG1 3.09Å
277	T	98.9	Very high	98.4	Very high	0 Å²	0	0.9 Å²	0.9	0%	0	0%	0.003	C	C	.	.	H	α-helix	trans	-60.6	-47.4	177.2	-59	0	0	0	0	112	F181 Q183 V188 S249 L253 G273 I274 L275 R280 A281	F181-T277 WeakPolarHBondContact CA-OG1 3.43Å; F181-T277 WeakPolarHBondContact CB-OG1 3.26Å; F181-T277 WeakPolarHBondContact CD1-OG1 3.22Å; F181-T277 WeakPolarHBondContact O-CG2 3.3Å; F181-T277 PolarHBondContact O-OG1 2.98Å; Q183-T277 HydrophobicContact CB-CG2 4.06Å; V188-T277 HydrophobicContact CG1-CG2 4.01Å; S249-T277 WeakPolarHBondContact CB-OG1 3.37Å; S249-T277 PolarHBondContact OG-OG1 3.5Å; L253-T277 HydrophobicContact CD1-CG2 3.86Å; G273-T277 WeakPolarHBondContact O-CB 3.24Å; G273-T277 PolarHBondContact O-N 2.65Å; G273-T277 PolarHBondContact O-OG1 3.08Å; I274-T277 WeakPolarHBondContact O-CB 3.46Å; I274-T277 PolarHBondContact O-N 2.62Å; L275-T277 VanDerWaalsContact C-N 3.26Å; L275-T277 PolarHBondContact O-N 2.9Å; T277-R280 PolarHBondContact O-N 3.42Å; T277-A281 VanDerWaalsContact O-CB 3.32Å; T277-A281 WeakPolarHBondContact O-CB 3.41Å; T277-A281 PolarHBondContact O-N 2.93Å
278	V	98.9	Very high	98.6	Very high	0 Å²	0	1.3 Å²	1.3	0%	0	1%	0.006	C	C	.	.	H	α-helix	trans	-63.7	-45.4	-179.8	170.4	0	0	0	0	111	C192 M216 M220 L253 I274 L275 A281 L282	C192-V278 HydrophobicContact CB-CG1 4.46Å; M216-V278 HydrophobicContact CB-CG1 4.23Å; M216-V278 HydrophobicContact CG-CG1 3.86Å; M216-V278 HydrophobicContact SD-CG1 3.76Å; M220-V278 HydrophobicContact CE-CG2 3.94Å; M220-V278 HydrophobicContact SD-CG2 3.97Å; L253-V278 HydrophobicContact CD1-CG2 4.17Å; L253-V278 HydrophobicContact CD2-CG2 4.18Å; I274-V278 WeakPolarHBondContact O-CG2 3.34Å; I274-V278 PolarHBondContact O-N 2.78Å; L275-V278 PolarHBondContact O-N 3.1Å; L275-V278 VanDerWaalsContact O-N 3.15Å; V278-A281 PolarHBondContact O-N 2.72Å; V278-L282 HydrophobicContact CG1-CD1 4.04Å; V278-L282 VanDerWaalsContact O-CG 3.29Å; V278-L282 WeakPolarHBondContact O-CG 3.47Å; V278-L282 PolarHBondContact O-N 2.74Å
279	L	98.9	Very high	98.7	Very high	0 Å²	0	1.3 Å²	1.3	0%	0	1%	0.006	C	C	.	.	H	α-helix	trans	-63.2	-44.9	178.6	-64.3	-175.7	0	0	0	111.5	C213 M216 L275 T276 A281 L282 G283 I284 A286 T330 A332	C213-L279 VanDerWaalsContact SG-CD2 3.56Å; M216-L279 HydrophobicContact CB-CD2 4.4Å; L275-L279 HydrophobicContact CD1-CD1 4.17Å; L275-L279 HydrophobicContact CD1-CD2 4.33Å; L275-L279 HydrophobicContact CD1-CG 4.03Å; L275-L279 HydrophobicContact CG-CD1 4.11Å; L275-L279 HydrophobicContact CG-CG 4.33Å; L275-L279 WeakPolarHBondContact O-CG 3.27Å; L275-L279 PolarHBondContact O-N 2.88Å; T276-L279 PolarHBondContact O-N 3.07Å; L279-A281 PolarHBondContact O-N 2.87Å; L279-L282 CarbonylContact O-C 3.09Å; L279-L282 PolarHBondContact O-N 3.43Å; L279-G283 PolarHBondContact O-N 2.88Å; L279-G283 VanDerWaalsContact O-N 3.12Å; L279-I284 CarbonylContact C-O 3.57Å; L279-I284 HydrophobicContact CB-CB 4.22Å; L279-I284 HydrophobicContact CD2-CD1 4.07Å; L279-I284 PolarHBondContact O-N 2.92Å; L279-A286 HydrophobicContact CB-CB 3.8Å; L279-A286 HydrophobicContact CD1-CB 4.11Å; L279-T330 HydrophobicContact CD1-CG2 3.94Å; L279-A332 HydrophobicContact CD1-CB 3.94Å
280	R	98.9	Very high	98.8	Very high	5 Å²	5	0.9 Å²	0.9	2%	0.019	1%	0.005	C	C	.	.	H	α-helix	trans	-60.7	-43.8	175	-71.6	-173.9	-177.4	-166.2	-0.6	112.1	E157 Y158 N161 Q183 T276 T277 L282 G283 A286	E157-R280 VanDerWaalsContact O-CZ 3.28Å; E157-R280 PolarHBondContact O-NH1 2.82Å; E157-R280 PolarHBondContact O-NH2 2.96Å; Y158-R280 VanDerWaalsContact O-CG 3.3Å; Y158-R280 WeakPolarHBondContact O-CG 3.41Å; Y158-R280 PolarHBondContact O-NE 2.64Å; N161-R280 PolarHBondContact O-NH1 3.15Å; Q183-R280 HydrophobicContact CB-CB 4.41Å; Q183-R280 HydrophobicContact CG-CB 4.16Å; T276-R280 HydrophobicContact CG2-CG 4.35Å; T276-R280 WeakPolarHBondContact O-CB 3.44Å; T276-R280 VanDerWaalsContact O-CG 3.24Å; T276-R280 WeakPolarHBondContact O-CG 3.32Å; T276-R280 PolarHBondContact O-N 3.02Å; T277-R280 PolarHBondContact O-N 3.42Å; R280-L282 VanDerWaalsContact C-N 3.27Å; R280-L282 PolarHBondContact O-N 3.13Å; R280-G283 PolarHBondContact O-N 3.09Å; R280-A286 HydrophobicContact CG-CB 4.35Å; R280-A286 VanDerWaalsContact CZ-O 3.28Å; R280-A286 PolarHBondContact NE-O 3.46Å; R280-A286 PolarHBondContact NH2-O 2.91Å
281	A	98.8	Very high	98.7	Very high	0 Å²	0	0.9 Å²	0.9	0%	0	1%	0.005	C	C	.	.	H	α-helix	trans	-60.4	-37.6	176.6	0	0	0	0	0	112	L137 Q183 L189 C192 T277 V278 L279 G283	L137-A281 WeakPolarHBondContact CD1-O 3.48Å; Q183-A281 HydrophobicContact CB-CB 3.97Å; L189-A281 HydrophobicContact CD1-CB 4.36Å; C192-A281 HydrophobicContact CB-CB 4.39Å; T277-A281 VanDerWaalsContact O-CB 3.32Å; T277-A281 WeakPolarHBondContact O-CB 3.41Å; T277-A281 PolarHBondContact O-N 2.93Å; V278-A281 PolarHBondContact O-N 2.72Å; L279-A281 PolarHBondContact O-N 2.87Å; A281-G283 VanDerWaalsContact C-N 3.26Å; A281-G283 PolarHBondContact O-N 3.19Å
282	L	98.8	Very high	98.6	Very high	1 Å²	1	0.9 Å²	0.9	1%	0.005	1%	0.005	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-4.1	177	-65.1	179	0	0	0	113.9	C138 C192 I193 L196 V212 M216 V278 L279 R280	C138-L282 WeakPolarHBondContact CB-O 3.27Å; C138-L282 PolarHBondContact N-O 2.84Å; C192-L282 HydrophobicContact CB-CD2 4.04Å; C192-L282 HydrophobicContact CB-CG 4.31Å; I193-L282 HydrophobicContact CD1-CD2 4.27Å; L196-L282 HydrophobicContact CD1-CD1 3.95Å; L196-L282 HydrophobicContact CD1-CD2 3.5Å; L196-L282 HydrophobicContact CD1-CG 4.37Å; L196-L282 HydrophobicContact CD2-CD1 4.07Å; L196-L282 HydrophobicContact CG-CD1 3.99Å; L196-L282 HydrophobicContact CG-CD2 4.26Å; V212-L282 HydrophobicContact CG1-CD1 3.96Å; M216-L282 HydrophobicContact CG-CD1 4.2Å; M216-L282 HydrophobicContact SD-CD1 4.37Å; V278-L282 HydrophobicContact CG1-CD1 4.04Å; V278-L282 VanDerWaalsContact O-CG 3.29Å; V278-L282 WeakPolarHBondContact O-CG 3.47Å; V278-L282 PolarHBondContact O-N 2.74Å; L279-L282 CarbonylContact O-C 3.09Å; L279-L282 PolarHBondContact O-N 3.43Å; R280-L282 VanDerWaalsContact C-N 3.27Å; R280-L282 PolarHBondContact O-N 3.13Å
283	G	98.8	Very high	98.3	Very high	0 Å²	0	1.4 Å²	1.4	0%	0	1%	0.008	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	17	178.6	0	0	0	0	0	114.9	C138 P140 L279 R280 A281	C138-G283 WeakPolarHBondContact CB-O 3.45Å; P140-G283 WeakPolarHBondContact CD-O 3.3Å; L279-G283 PolarHBondContact O-N 2.88Å; L279-G283 VanDerWaalsContact O-N 3.12Å; R280-G283 PolarHBondContact O-N 3.09Å; A281-G283 VanDerWaalsContact C-N 3.26Å; A281-G283 PolarHBondContact O-N 3.19Å
284	I	98.9	Very high	98	Very high	0 Å²	0	1.4 Å²	1.4	0%	0	1%	0.008	C	C	.	.			trans	-94.7	119.1	174.7	-58.2	171.6	0	0	0	107.7	C138 V147 I159 P209 V212 L279 A286 A332 M334	C138-I284 HydrophobicContact CB-CG1 4.28Å; V147-I284 HydrophobicContact CG1-CG1 4.25Å; V147-I284 HydrophobicContact CG1-CG2 4.37Å; I159-I284 VanDerWaalsContact CD1-C 3.49Å; P209-I284 HydrophobicContact CB-CD1 4.21Å; V212-I284 HydrophobicContact CB-CD1 4.32Å; V212-I284 HydrophobicContact CG1-CD1 3.74Å; L279-I284 CarbonylContact C-O 3.57Å; L279-I284 HydrophobicContact CB-CB 4.22Å; L279-I284 HydrophobicContact CD2-CD1 4.07Å; L279-I284 PolarHBondContact O-N 2.92Å; I284-A286 PolarHBondContact O-N 2.87Å; I284-A332 HydrophobicContact CG2-CB 4.16Å; I284-M334 HydrophobicContact CG2-CE 4.43Å
285	P	98.9	Very high	97.5	Very high	0 Å²	0	1.5 Å²	1.5	0%	0	1%	0.008	C	C	.	.			trans	-63.2	127.6	-179.2	-17.4	27.8	0	0	0	110.2	P140 M149 Y158 I159 A332 W333	P140-P285 HydrophobicContact CB-CG 3.74Å; P140-P285 HydrophobicContact CG-CG 4.33Å; M149-P285 HydrophobicContact CB-CG 4.24Å; M149-P285 HydrophobicContact CE-CB 3.44Å; M149-P285 VanDerWaalsContact CE-CB 3.44Å; M149-P285 HydrophobicContact CE-CG 3.97Å; M149-P285 HydrophobicContact SD-CB 3.87Å; M149-P285 HydrophobicContact SD-CG 4.16Å; Y158-P285 WeakPolarHBondContact O-CA 3.44Å; I159-P285 VanDerWaalsContact CD1-CA 3.48Å; I159-P285 HydrophobicContact CD1-CB 4.06Å; I159-P285 HydrophobicContact CD1-CG 3.9Å; I159-P285 HydrophobicContact CG1-CB 4.13Å; I159-P285 HydrophobicContact CG1-CG 4.07Å; P285-A332 WeakPolarHBondContact O-CA 3.33Å; P285-W333 HydrophobicContact CB-CB 3.93Å; P285-W333 HydrophobicContact CG-CB 4.18Å; P285-W333 PolarHBondContact O-N 2.66Å
286	A	98.9	Very high	96.8	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.014	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	148.5	-173	0	0	0	0	0	112.9	Y158 T276 L279 R280 I284 T330 D331	Y158-A286 PolarHBondContact O-N 2.86Å; Y158-A286 VanDerWaalsContact O-N 3.1Å; T276-A286 HydrophobicContact CG2-CB 4.23Å; L279-A286 HydrophobicContact CB-CB 3.8Å; L279-A286 HydrophobicContact CD1-CB 4.11Å; R280-A286 HydrophobicContact CG-CB 4.35Å; R280-A286 VanDerWaalsContact CZ-O 3.28Å; R280-A286 PolarHBondContact NE-O 3.46Å; R280-A286 PolarHBondContact NH2-O 2.91Å; I284-A286 PolarHBondContact O-N 2.87Å; A286-T330 HydrophobicContact CB-CG2 3.91Å; A286-D331 CarbonylContact C-O 3.57Å; A286-D331 WeakPolarHBondContact CA-O 3.35Å
287	R	98.8	Very high	95.9	Very high	2 Å²	2	2.7 Å²	2.7	1%	0.008	1%	0.014	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	141.1	174.8	65	-177	-171.7	-173.8	-1.3	111	Y158 V289 T330 D331 W346 I434 E437	Y158-R287 HydrophobicContact CD1-CB 3.82Å; Y158-R287 HydrophobicContact CE1-CB 3.83Å; Y158-R287 HydrophobicContact CE1-CG 4.42Å; R287-V289 HydrophobicContact CG-CG2 4.24Å; R287-T330 CarbonylContact O-C 3.59Å; R287-T330 WeakPolarHBondContact O-CA 3.31Å; R287-D331 HydrophobicContact CG-CB 3.78Å; R287-D331 IonicContact CZ-OD2 3.97Å; R287-D331 PolarHBondContact N-O 2.89Å; R287-D331 IonicContact NE-OD2 3.49Å; R287-D331 PolarHBondContact NE-OD2 2.79Å; R287-D331 VanDerWaalsContact NE-OD2 3.11Å; R287-D331 IonicContact NH2-OD2 2.61Å; R287-D331 PolarHBondContact NH2-OD2 3.32Å; R287-D331 PolarHBondContact O-N 3.12Å; R287-W346 HydrophobicContact CG-CH2 4.16Å; R287-W346 HydrophobicContact CG-CZ3 4.15Å; R287-I434 VanDerWaalsContact NH2-CD1 3.35Å; R287-E437 IonicContact CZ-OE2 3.43Å; R287-E437 IonicContact NH1-OE2 3.61Å; R287-E437 IonicContact NH2-OE2 2.66Å; R287-E437 PolarHBondContact NH2-OE2 3.23Å
288	S	98.5	Very high	94.7	Very high	9 Å²	9	4.9 Å²	4.9	6%	0.063	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	141	168	-51.4	0	0	0	0	110.2	H166 T276 W329 T423	H166-S288 WeakPolarHBondContact CD2-CB 3.34Å; H166-S288 PolarHBondContact CD2-OG 3.15Å; H166-S288 PolarHBondContact NE2-OG 2.95Å; T276-S288 PolarHBondContact OG1-OG 3.31Å; S288-W329 WeakPolarHBondContact CA-O 3.42Å; S288-T423 WeakPolarHBondContact O-CB 3.4Å; S288-T423 PolarHBondContact O-OG1 2.95Å
289	V	98.8	Very high	93.5	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	134.7	178.4	175.3	0	0	0	0	109.1	R287 V328 W329 D331 I421 S422 I434 Y438	R287-V289 HydrophobicContact CG-CG2 4.24Å; V289-V328 CarbonylContact O-C 3.55Å; V289-V328 WeakPolarHBondContact O-CA 3.14Å; V289-V328 VanDerWaalsContact O-CG1 3.29Å; V289-V328 WeakPolarHBondContact O-CG1 3.37Å; V289-W329 HydrophobicContact CG1-CZ2 3.87Å; V289-W329 PolarHBondContact N-O 3.28Å; V289-W329 PolarHBondContact O-N 3.24Å; V289-D331 HydrophobicContact CG2-CB 4.07Å; V289-D331 VanDerWaalsContact CG2-CG 3.43Å; V289-D331 WeakPolarHBondContact CG2-OD2 3.36Å; V289-I421 HydrophobicContact CG1-CG2 3.42Å; V289-I421 VanDerWaalsContact CG1-CG2 3.42Å; V289-S422 WeakPolarHBondContact CA-O 3.21Å; V289-I434 HydrophobicContact CG1-CD1 4.05Å; V289-I434 HydrophobicContact CG2-CD1 3.92Å; V289-Y438 HydrophobicContact CG1-CE2 4.43Å
290	T	98.7	Very high	92.5	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.012	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.9	172	-56.8	0	0	0	0	109.4	Y167 F292 F326 H327 V328 I421 S422	Y167-T290 PolarHBondContact N-OG1 3.06Å; Y167-T290 WeakPolarHBondContact O-CB 3.28Å; Y167-T290 WeakPolarHBondContact O-CG2 2.97Å; Y167-T290 PolarHBondContact O-OG1 3.15Å; T290-F292 HydrophobicContact CG2-CD2 4.23Å; T290-F292 HydrophobicContact CG2-CE1 4.19Å; T290-F292 HydrophobicContact CG2-CE2 3.78Å; T290-F292 HydrophobicContact CG2-CZ 3.75Å; T290-F326 HydrophobicContact CG2-CB 3.82Å; T290-F326 HydrophobicContact CG2-CD2 4.26Å; T290-F326 HydrophobicContact CG2-CG 4.43Å; T290-H327 CarbonylContact C-O 3.58Å; T290-H327 VanDerWaalsContact CA-O 3.28Å; T290-H327 WeakPolarHBondContact CA-O 3.42Å; T290-V328 HydrophobicContact CG2-CG2 4.29Å; T290-I421 CarbonylContact O-C 3.52Å; T290-I421 VanDerWaalsContact O-CA 3.24Å; T290-I421 WeakPolarHBondContact O-CA 3.31Å; T290-S422 PolarHBondContact N-O 3.03Å; T290-S422 PolarHBondContact O-N 2.87Å
291	A	97.9	Very high	91.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	136.8	159.8	0	0	0	0	0	110.2	F326 H327 W329 V389 I421	A291-F326 CarbonylContact O-C 3.58Å; A291-F326 WeakPolarHBondContact O-CA 3.44Å; A291-H327 PolarHBondContact N-O 3.5Å; A291-H327 PolarHBondContact O-N 3.28Å; A291-W329 HydrophobicContact CB-CH2 3.37Å; A291-W329 HydrophobicContact CB-CZ2 4.39Å; A291-W329 HydrophobicContact CB-CZ3 3.61Å; A291-V389 HydrophobicContact CB-CG1 4.38Å; A291-I421 HydrophobicContact CB-CG1 4.01Å
292	F	95.1	Very high	91.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	150.9	173.5	-63	-89.6	0	0	0	110.5	A170 A171 I174 T290 S294 N325 F326 G418 K419 N420	A170-F292 VanDerWaalsContact C-CD1 3.46Å; A171-F292 HydrophobicContact CB-CB 3.71Å; A171-F292 HydrophobicContact CB-CG 4.3Å; I174-F292 HydrophobicContact CB-CZ 4.16Å; I174-F292 HydrophobicContact CD1-CD2 4.3Å; I174-F292 HydrophobicContact CD1-CE2 3.77Å; I174-F292 HydrophobicContact CD1-CZ 4.1Å; I174-F292 HydrophobicContact CG1-CD2 4.46Å; I174-F292 HydrophobicContact CG1-CE1 4.11Å; I174-F292 HydrophobicContact CG1-CE2 3.85Å; I174-F292 HydrophobicContact CG1-CZ 3.66Å; I174-F292 HydrophobicContact CG2-CE2 4.27Å; I174-F292 HydrophobicContact CG2-CZ 3.74Å; T290-F292 HydrophobicContact CG2-CD2 4.23Å; T290-F292 HydrophobicContact CG2-CE1 4.19Å; T290-F292 HydrophobicContact CG2-CE2 3.78Å; T290-F292 HydrophobicContact CG2-CZ 3.75Å; F292-S294 PolarHBondContact O-N 3.01Å; F292-N325 WeakPolarHBondContact CA-O 3.46Å; F292-F326 HydrophobicContact CD1-CB 3.74Å; F292-F326 HydrophobicContact CE1-CB 3.94Å; F292-F326 HydrophobicContact CG-CB 4.45Å; F292-G418 CarbonylContact O-C 3.57Å; F292-G418 WeakPolarHBondContact O-CA 3.41Å; F292-G418 PolarHBondContact O-N 2.51Å; F292-K419 HydrophobicContact CB-CB 4.44Å; F292-K419 WeakPolarHBondContact CB-O 3.46Å; F292-K419 PolarHBondContact N-O 3.47Å; F292-K419 PolarHBondContact O-N 3.03Å; F292-N420 HydrophobicContact CD2-CB 3.88Å; F292-N420 WeakPolarHBondContact CD2-O 3.35Å; F292-N420 HydrophobicContact CE2-CB 4.45Å
293	D	92	Very high	90.7	Very high	10 Å²	10	14.7 Å²	14.7	5%	0.053	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	51.2	47.7	-171	-56.3	-32.7	0	0	0	111	V323 W324 N325 S416 I417 G418 K419	D293-V323 HydrophobicContact CB-CG1 4.09Å; D293-W324 CarbonylContact C-O 3.59Å; D293-W324 VanDerWaalsContact CA-O 3.27Å; D293-W324 WeakPolarHBondContact CA-O 3.3Å; D293-W324 PolarHBondContact N-O 2.92Å; D293-N325 PolarHBondContact N-O 2.85Å; D293-S416 WeakPolarHBondContact CB-O 3.4Å; D293-I417 CarbonylContact O-C 3.51Å; D293-I417 VanDerWaalsContact O-CA 3.27Å; D293-I417 WeakPolarHBondContact O-CA 3.41Å; D293-I417 WeakPolarHBondContact O-CD1 3.15Å; D293-I417 WeakPolarHBondContact O-CG2 3.34Å; D293-G418 PolarHBondContact O-N 3.07Å; D293-K419 WeakPolarHBondContact OD2-CD 3.16Å; D293-K419 IonicContact OD2-NZ 3.39Å; D293-K419 PolarHBondContact OD2-NZ 3.5Å
294	S	92.1	Very high	90.2	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.007	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	126.7	-177	-162.3	0	0	0	0	109.8	F292 V323 W324 H327	F292-S294 PolarHBondContact O-N 3.01Å; S294-V323 CarbonylContact O-C 3.54Å; S294-V323 WeakPolarHBondContact O-CA 3.28Å; S294-W324 PolarHBondContact N-O 3.21Å; S294-W324 PolarHBondContact O-N 2.96Å; S294-H327 VanDerWaalsContact CB-CB 3.47Å
295	A	89.3	Confident	89.7	Confident	1 Å²	1	15 Å²	15	1%	0.008	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	146.1	175.8	0	0	0	0	0	110.9	V304 S387 E388 I417	A295-V304 HydrophobicContact CB-CG2 3.44Å; A295-V304 VanDerWaalsContact CB-CG2 3.44Å; A295-S387 WeakPolarHBondContact CB-O 3.39Å; A295-E388 PolarHBondContact N-O 2.92Å; A295-E388 WeakPolarHBondContact O-CA 3.19Å; A295-E388 WeakPolarHBondContact O-CG 3.18Å; A295-I417 HydrophobicContact CB-CD1 4.18Å; A295-I417 HydrophobicContact CB-CG1 4.34Å; A295-I417 HydrophobicContact CB-CG2 3.69Å
296	H	84.3	Confident	89.3	Confident	26 Å²	26	15 Å²	15	12%	0.12	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	88.6	163.6	-175.8	-131.5	0	0	0	107	S322 Q354 F384	H296-S322 PolarHBondContact N-O 2.78Å; H296-S322 PolarHBondContact O-N 3.02Å; H296-Q354 PolarHBondContact CD2-NE2 3.07Å; H296-Q354 WeakPolarHBondContact NE2-CB 3.17Å; H296-F384 AromaticContact CD2-CE2 3.78Å; H296-F384 AromaticContact CD2-CZ 3.8Å
297	D	80.1	Confident	89	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.083	C	C	.	.			trans	-83.8	106.8	-179.6	170.8	7.3	0	0	0	109.1	E299 K300 N301 L302 S387	D297-E299 PolarHBondContact OD1-N 3.38Å; D297-E299 VanDerWaalsContact OD1-N 3.11Å; D297-K300 WeakPolarHBondContact OD1-CA 3.42Å; D297-K300 PolarHBondContact OD1-N 3.04Å; D297-K300 WeakPolarHBondContact OD2-CA 3.49Å; D297-N301 PolarHBondContact OD1-N 2.96Å; D297-N301 PolarHBondContact OD1-OD1 2.85Å; D297-N301 PolarHBondContact OD2-N 3.34Å; D297-N301 VanDerWaalsContact OD2-N 3.12Å; D297-L302 PolarHBondContact OD2-N 3.31Å; D297-S387 WeakPolarHBondContact OD2-CB 2.92Å; D297-S387 PolarHBondContact OD2-OG 3.41Å
298	T	72.3	Confident	88.7	Confident	45 Å²	45	16.8 Å²	16.8	28%	0.276	8%	0.083	S	C	.	.	S	Bend	trans	-82.8	-22.3	-176	59.1	0	0	0	0	112.6	D321	T298-D321 PolarHBondContact N-OD1 3.09Å; T298-D321 PolarHBondContact OG1-OD1 2.97Å
299	E	75.1	Confident	88.4	Confident	111 Å²	111	18.4 Å²	18.4	52%	0.519	9%	0.091	S	C	.	.	S	Bend	trans	-95.5	-11	-177.7	-58.9	-171.3	173	0	0	112.4	D297 N301	D297-E299 PolarHBondContact OD1-N 3.38Å; D297-E299 VanDerWaalsContact OD1-N 3.11Å; E299-N301 HydrophobicContact CB-CB 4.47Å; E299-N301 PolarHBondContact O-N 3.49Å; E299-N301 PolarHBondContact OE2-ND2 2.95Å
300	K	78.3	Confident	88	Confident	65 Å²	65	23.8 Å²	23.8	28%	0.283	12%	0.116	S	C	.	.			trans	61.8	20.2	-178.6	-58.3	175.5	-177.4	167.8	0	111.8	D297 L302 E355 R383	D297-K300 WeakPolarHBondContact OD1-CA 3.42Å; D297-K300 PolarHBondContact OD1-N 3.04Å; D297-K300 WeakPolarHBondContact OD2-CA 3.49Å; K300-L302 VanDerWaalsContact C-N 3.25Å; K300-L302 PolarHBondContact O-N 2.66Å; K300-E355 WeakPolarHBondContact CE-OE2 3.35Å; K300-E355 IonicContact NZ-OE2 3.47Å; K300-E355 PolarHBondContact NZ-OE2 3.27Å; K300-R383 PolarHBondContact O-NE 3.26Å; K300-R383 PolarHBondContact O-NH2 3.25Å
301	N	82.5	Confident	87.5	Confident	30 Å²	30	26.8 Å²	26.8	16%	0.16	13%	0.132	C	C	.	.	S	Bend	trans	-84.4	4.5	-172.2	63.7	8.3	0	0	0	113.3	D297 E299 T303 F455	D297-N301 PolarHBondContact OD1-N 2.96Å; D297-N301 PolarHBondContact OD1-OD1 2.85Å; D297-N301 PolarHBondContact OD2-N 3.34Å; D297-N301 VanDerWaalsContact OD2-N 3.12Å; E299-N301 HydrophobicContact CB-CB 4.47Å; E299-N301 PolarHBondContact O-N 3.49Å; E299-N301 PolarHBondContact OE2-ND2 2.95Å; N301-T303 PolarHBondContact ND2-OG1 2.8Å; N301-T303 PolarHBondContact O-N 2.99Å; N301-T303 PolarHBondContact OD1-N 2.94Å; N301-T303 PolarHBondContact OD1-O 3.37Å; N301-T303 VanDerWaalsContact OD1-O 3.11Å; N301-T303 PolarHBondContact OD1-OG1 3.21Å; N301-F455 WeakPolarHBondContact O-CE1 3.21Å
302	L	86.8	Confident	87.1	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	68.2	7.4	-175.9	-45.6	178.5	0	0	0	113.8	D297 K300 I376 R383 F386 S387 G391 D392 M451 A454 F455 L458	D297-L302 PolarHBondContact OD2-N 3.31Å; K300-L302 VanDerWaalsContact C-N 3.25Å; K300-L302 PolarHBondContact O-N 2.66Å; L302-I376 HydrophobicContact CD1-CD1 4.4Å; L302-R383 HydrophobicContact CD2-CG 4.22Å; L302-F386 HydrophobicContact CD2-CD1 3.93Å; L302-F386 HydrophobicContact CD2-CE1 4.41Å; L302-S387 VanDerWaalsContact CD2-OG 3.31Å; L302-S387 WeakPolarHBondContact CD2-OG 3.34Å; L302-G391 WeakPolarHBondContact O-CA 3.33Å; L302-D392 PolarHBondContact O-N 3.01Å; L302-D392 VanDerWaalsContact O-N 3.13Å; L302-M451 HydrophobicContact CB-CE 3.91Å; L302-M451 WeakPolarHBondContact O-CE 3.2Å; L302-A454 HydrophobicContact CD1-CB 3.71Å; L302-F455 HydrophobicContact CB-CE1 4.03Å; L302-F455 HydrophobicContact CB-CZ 3.97Å; L302-F455 HydrophobicContact CD1-CD1 4.24Å; L302-F455 HydrophobicContact CD1-CE1 4.41Å; L302-F455 HydrophobicContact CD1-CG 4.34Å; L302-L458 HydrophobicContact CD1-CD1 3.84Å; L302-L458 HydrophobicContact CD1-CD2 4.32Å; L302-L458 HydrophobicContact CD1-CG 4.11Å; L302-L458 HydrophobicContact CG-CD1 3.91Å; L302-L458 HydrophobicContact CG-CD2 4.4Å; L302-L458 HydrophobicContact CG-CG 4.48Å
303	T	88.4	Confident	86.9	Confident	6 Å²	6	29 Å²	29	4%	0.037	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	162.4	169.9	58	0	0	0	0	110.4	N301 D305 D392 L394 F455	N301-T303 PolarHBondContact ND2-OG1 2.8Å; N301-T303 PolarHBondContact O-N 2.99Å; N301-T303 PolarHBondContact OD1-N 2.94Å; N301-T303 PolarHBondContact OD1-O 3.37Å; N301-T303 VanDerWaalsContact OD1-O 3.11Å; N301-T303 PolarHBondContact OD1-OG1 3.21Å; T303-D305 PolarHBondContact OG1-OD2 3.37Å; T303-D392 CarbonylContact C-O 3.44Å; T303-D392 WeakPolarHBondContact CA-O 3.21Å; T303-D392 WeakPolarHBondContact CB-O 3.25Å; T303-D392 HydrophobicContact CG2-CB 4.41Å; T303-L394 HydrophobicContact CG2-CD1 4.04Å; T303-L394 HydrophobicContact CG2-CG 4.43Å; T303-F455 HydrophobicContact CG2-CE1 4.5Å; T303-F455 HydrophobicContact CG2-CZ 4.03Å
304	V	87.4	Confident	86.8	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	105.3	175	-174.3	0	0	0	0	107.7	A295 D321 V323 D392 R393 L394	A295-V304 HydrophobicContact CB-CG2 3.44Å; A295-V304 VanDerWaalsContact CB-CG2 3.44Å; V304-D321 HydrophobicContact CG1-CB 3.85Å; V304-V323 HydrophobicContact CG1-CG2 3.71Å; V304-D392 PolarHBondContact N-O 3.03Å; V304-R393 HydrophobicContact CB-CG 4.43Å; V304-R393 WeakPolarHBondContact O-CA 3.16Å; V304-L394 PolarHBondContact O-N 3.3Å
305	D	89.6	Confident	86.6	Confident	7 Å²	7	31.5 Å²	31.5	4%	0.037	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	119.6	-167.7	-68.9	-81.6	0	0	0	111.4	T303 Y307 D321 L394 W396	T303-D305 PolarHBondContact OG1-OD2 3.37Å; D305-Y307 HydrophobicContact CB-CE2 3.92Å; D305-D321 PolarHBondContact N-OD2 3.5Å; D305-D321 VanDerWaalsContact N-OD2 3.13Å; D305-L394 WeakPolarHBondContact OD1-CB 3.19Å; D305-L394 WeakPolarHBondContact OD1-CD1 3.33Å; D305-W396 PolarHBondContact OD1-NE1 2.87Å
306	T	90.4	Very high	86.4	Confident	1 Å²	1	36 Å²	36	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	122	175.7	-55.3	0	0	0	0	111.1	V308 K314 L394 I395 W396 F564	T306-V308 HydrophobicContact CG2-CG1 4.28Å; T306-K314 HydrophobicContact CG2-CD 4.31Å; T306-K314 HydrophobicContact CG2-CG 4.29Å; T306-L394 PolarHBondContact N-O 2.63Å; T306-I395 CarbonylContact O-C 3.57Å; T306-I395 WeakPolarHBondContact O-CA 3.49Å; T306-W396 PolarHBondContact O-N 3.14Å; T306-F564 HydrophobicContact CG2-CE1 3.72Å; T306-F564 HydrophobicContact CG2-CE2 4.3Å; T306-F564 HydrophobicContact CG2-CZ 3.47Å; T306-F564 VanDerWaalsContact CG2-CZ 3.47Å
307	Y	92	Very high	86.4	Confident	39 Å²	39	40.4 Å²	40.4	15%	0.153	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.8	179.2	-60.2	-96.1	0	0	0	110.2	D305 K314 I315 M318 S319 W396 V398 L407	D305-Y307 HydrophobicContact CB-CE2 3.92Å; Y307-K314 WeakPolarHBondContact O-CA 3.48Å; Y307-I315 PolarHBondContact O-N 3.21Å; Y307-M318 HydrophobicContact CD1-CB 4.33Å; Y307-M318 HydrophobicContact CD1-CE 3.84Å; Y307-M318 HydrophobicContact CD2-CB 3.78Å; Y307-M318 HydrophobicContact CE1-CE 4.13Å; Y307-M318 HydrophobicContact CE2-CB 4.42Å; Y307-M318 HydrophobicContact CG-CB 3.73Å; Y307-M318 HydrophobicContact CG-CE 4.38Å; Y307-S319 PolarHBondContact N-OG 3.42Å; Y307-S319 PolarHBondContact O-OG 3.4Å; Y307-W396 CarbonylContact C-O 3.55Å; Y307-W396 WeakPolarHBondContact CA-O 3.47Å; Y307-W396 HydrophobicContact CD1-CB 3.45Å; Y307-W396 VanDerWaalsContact CD1-CB 3.45Å; Y307-W396 AromaticContact CD1-CG 3.92Å; Y307-W396 HydrophobicContact CD1-CG 3.92Å; Y307-W396 HydrophobicContact CE1-CB 3.72Å; Y307-W396 AromaticContact CE1-CD1 3.89Å; Y307-W396 HydrophobicContact CE1-CD2 4.17Å; Y307-W396 AromaticContact CE1-CG 3.66Å; Y307-W396 HydrophobicContact CE1-CG 3.66Å; Y307-W396 HydrophobicContact CG-CB 4.11Å; Y307-W396 AromaticContact CZ-CD1 3.95Å; Y307-V398 HydrophobicContact CD1-CG2 4.04Å; Y307-L407 HydrophobicContact CD1-CD2 4.07Å; Y307-L407 HydrophobicContact CE1-CD1 4.24Å; Y307-L407 HydrophobicContact CE1-CD2 4.14Å
308	V	92.8	Very high	86.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	151.6	178.8	-61.8	0	0	0	0	110.8	T306 E313 I395 W396 L397 V398 I410 F564 I566	T306-V308 HydrophobicContact CG2-CG1 4.28Å; V308-E313 CarbonylContact C-O 3.55Å; V308-E313 VanDerWaalsContact CA-O 3.26Å; V308-E313 WeakPolarHBondContact CA-O 3.48Å; V308-I395 HydrophobicContact CG2-CG2 4.03Å; V308-W396 WeakPolarHBondContact CG2-O 3.27Å; V308-W396 PolarHBondContact N-O 3.15Å; V308-L397 HydrophobicContact CG2-CD1 4.49Å; V308-L397 WeakPolarHBondContact O-CA 3.31Å; V308-V398 PolarHBondContact O-N 2.76Å; V308-I410 HydrophobicContact CG2-CD1 4.36Å; V308-F564 HydrophobicContact CG1-CB 4.35Å; V308-F564 HydrophobicContact CG1-CD1 3.92Å; V308-F564 HydrophobicContact CG1-CD2 4.48Å; V308-F564 HydrophobicContact CG1-CE1 4.33Å; V308-F564 HydrophobicContact CG1-CG 4Å; V308-I566 HydrophobicContact CG2-CD1 4.16Å
309	N	92.3	Very high	87.1	Confident	43 Å²	43	40.9 Å²	40.9	23%	0.23	21%	0.206	C	C	.	.			trans	-85.2	-178.2	169.9	73.6	13.6	0	0	0	111.7	N311 G312 E313 I315 L397 I566	N309-N311 PolarHBondContact O-N 3.17Å; N309-N311 VanDerWaalsContact O-N 3.15Å; N309-N311 WeakPolarHBondContact OD1-CA 3.32Å; N309-N311 WeakPolarHBondContact OD1-CB 3.2Å; N309-N311 PolarHBondContact OD1-N 2.94Å; N309-G312 PolarHBondContact O-N 2.91Å; N309-G312 PolarHBondContact OD1-N 3.36Å; N309-E313 PolarHBondContact N-O 2.99Å; N309-E313 WeakPolarHBondContact OD1-CB 3.36Å; N309-E313 PolarHBondContact OD1-N 3.37Å; N309-I315 HydrophobicContact CB-CD1 4.19Å; N309-I315 HydrophobicContact CB-CG1 4.36Å; N309-L397 WeakPolarHBondContact O-CD1 3.5Å; N309-I566 WeakPolarHBondContact O-CD1 2.94Å
310	E	89.7	Confident	87.4	Confident	112 Å²	112	44.2 Å²	44.2	52%	0.523	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-19.5	-177.8	-61.3	-177.6	110.4	0	0	114.7	L397 K399	E310-L397 HydrophobicContact CG-CD1 4.32Å; E310-K399 HydrophobicContact CG-CG 4.25Å
311	N	89.1	Confident	87.6	Confident	66 Å²	66	41.2 Å²	41.2	35%	0.353	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-2.6	174.4	-62.7	-40.3	0	0	0	112.9	N309 S509	N309-N311 PolarHBondContact O-N 3.17Å; N309-N311 VanDerWaalsContact O-N 3.15Å; N309-N311 WeakPolarHBondContact OD1-CA 3.32Å; N309-N311 WeakPolarHBondContact OD1-CB 3.2Å; N309-N311 PolarHBondContact OD1-N 2.94Å; N311-S509 PolarHBondContact O-N 3.44Å
312	G	89.8	Confident	87.5	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.2	C	C	.	.			trans	82.7	7.3	-171.4	0	0	0	0	0	113.9	N309 K314 F564	N309-G312 PolarHBondContact O-N 2.91Å; N309-G312 PolarHBondContact OD1-N 3.36Å; G312-K314 PolarHBondContact O-N 2.95Å; G312-F564 WeakPolarHBondContact O-CB 3.47Å
313	E	91	Very high	87.4	Confident	45 Å²	45	41.1 Å²	41.1	21%	0.21	20%	0.202	C	C	.	.			trans	-72.6	129.7	177.3	-179.9	169	-164.7	0	0	110.4	V308 N309 I315 K519 K522	V308-E313 CarbonylContact C-O 3.55Å; V308-E313 VanDerWaalsContact CA-O 3.26Å; V308-E313 WeakPolarHBondContact CA-O 3.48Å; N309-E313 PolarHBondContact N-O 2.99Å; N309-E313 WeakPolarHBondContact OD1-CB 3.36Å; N309-E313 PolarHBondContact OD1-N 3.37Å; E313-I315 PolarHBondContact O-N 2.87Å; E313-K519 IonicContact OE1-NZ 3.96Å; E313-K519 PolarHBondContact OE1-NZ 3.03Å; E313-K522 IonicContact OE1-NZ 2.66Å; E313-K522 IonicContact OE2-NZ 3.23Å; E313-K522 PolarHBondContact OE2-NZ 2.9Å
314	K	89.1	Confident	87.4	Confident	27 Å²	27	41.8 Å²	41.8	12%	0.117	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-67.1	128.1	178.4	-175.7	176.4	178.1	176.9	0	110.3	T306 Y307 G312 T316	T306-K314 HydrophobicContact CG2-CD 4.31Å; T306-K314 HydrophobicContact CG2-CG 4.29Å; Y307-K314 WeakPolarHBondContact O-CA 3.48Å; G312-K314 PolarHBondContact O-N 2.95Å; K314-T316 PolarHBondContact O-N 3.42Å
315	I	89.4	Confident	87.4	Confident	38 Å²	38	42 Å²	42	20%	0.195	21%	0.205	C	C	.	.			trans	-90.5	101.3	178.5	-50.2	175.3	0	0	0	108.3	Y307 N309 E313 N317 M318 S319 V398	Y307-I315 PolarHBondContact O-N 3.21Å; N309-I315 HydrophobicContact CB-CD1 4.19Å; N309-I315 HydrophobicContact CB-CG1 4.36Å; E313-I315 PolarHBondContact O-N 2.87Å; I315-N317 WeakPolarHBondContact CG2-OD1 3.43Å; I315-N317 PolarHBondContact O-N 3.29Å; I315-M318 HydrophobicContact CG2-CB 4.49Å; I315-M318 HydrophobicContact CG2-CG 4.13Å; I315-M318 HydrophobicContact CG2-SD 4.1Å; I315-M318 PolarHBondContact O-N 3.25Å; I315-S319 WeakPolarHBondContact O-CB 3.25Å; I315-S319 PolarHBondContact O-N 2.91Å; I315-S319 PolarHBondContact O-OG 3.28Å; I315-V398 HydrophobicContact CD1-CB 3.53Å; I315-V398 HydrophobicContact CD1-CG1 4.13Å; I315-V398 HydrophobicContact CD1-CG2 3.5Å; I315-V398 VanDerWaalsContact CD1-CG2 3.5Å
316	T	83.4	Confident	87.5	Confident	94 Å²	94	42.1 Å²	42.1	58%	0.577	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-29.9	-166	50.7	0	0	0	0	114.5	K314 M318	K314-T316 PolarHBondContact O-N 3.42Å; T316-M318 VanDerWaalsContact C-N 3.32Å
317	N	84.3	Confident	87.8	Confident	120 Å²	120	42 Å²	42	64%	0.642	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-22.6	177.7	63.3	-26.6	0	0	0	113.2	I315	I315-N317 WeakPolarHBondContact CG2-OD1 3.43Å; I315-N317 PolarHBondContact O-N 3.29Å
318	M	86.6	Confident	88.1	Confident	45 Å²	45	40.2 Å²	40.2	22%	0.222	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-36	177.8	-60.3	-179.6	75.7	0	0	112.3	Y307 I315 T316 R320 V398 L407	Y307-M318 HydrophobicContact CD1-CB 4.33Å; Y307-M318 HydrophobicContact CD1-CE 3.84Å; Y307-M318 HydrophobicContact CD2-CB 3.78Å; Y307-M318 HydrophobicContact CE1-CE 4.13Å; Y307-M318 HydrophobicContact CE2-CB 4.42Å; Y307-M318 HydrophobicContact CG-CB 3.73Å; Y307-M318 HydrophobicContact CG-CE 4.38Å; I315-M318 HydrophobicContact CG2-CB 4.49Å; I315-M318 HydrophobicContact CG2-CG 4.13Å; I315-M318 HydrophobicContact CG2-SD 4.1Å; I315-M318 PolarHBondContact O-N 3.25Å; T316-M318 VanDerWaalsContact C-N 3.32Å; M318-R320 PolarHBondContact O-N 2.83Å; M318-V398 HydrophobicContact CE-CG2 4.25Å; M318-V398 HydrophobicContact SD-CG1 4.47Å; M318-V398 HydrophobicContact SD-CG2 4.03Å; M318-L407 HydrophobicContact CE-CD2 3.81Å
319	S	82.3	Confident	88.4	Confident	10 Å²	10	40.3 Å²	40.3	7%	0.07	20%	0.198	C	C	.	.			trans	-84.4	76	-177.8	-53	0	0	0	0	112.1	Y307 I315	Y307-S319 PolarHBondContact N-OG 3.42Å; Y307-S319 PolarHBondContact O-OG 3.4Å; I315-S319 WeakPolarHBondContact O-CB 3.25Å; I315-S319 PolarHBondContact O-N 2.91Å; I315-S319 PolarHBondContact O-OG 3.28Å
320	R	81.1	Confident	88.7	Confident	181 Å²	181	38.3 Å²	38.3	68%	0.683	19%	0.188	S	C	*	.			trans	-71.5	-33.8	178.5	-65.3	-177.2	-179.9	-179.9	2.3	112.6	M318	M318-R320 PolarHBondContact O-N 2.83Å
321	D	81.8	Confident	89.1	Confident	2 Å²	2	33 Å²	33	1%	0.011	16%	0.163	C	C	.	.			trans	-72.9	154.6	174.4	-58	-27.8	0	0	0	111.8	T298 V304 D305	T298-D321 PolarHBondContact N-OD1 3.09Å; T298-D321 PolarHBondContact OG1-OD1 2.97Å; V304-D321 HydrophobicContact CG1-CB 3.85Å; D305-D321 PolarHBondContact N-OD2 3.5Å; D305-D321 VanDerWaalsContact N-OD2 3.13Å
322	S	81.2	Confident	89.6	Confident	20 Å²	20	29.8 Å²	29.8	14%	0.14	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	149.1	179.5	54.1	0	0	0	0	111.1	H296 W324	H296-S322 PolarHBondContact N-O 2.78Å; H296-S322 PolarHBondContact O-N 3.02Å; S322-W324 PolarHBondContact OG-NE1 3.5Å
323	V	83.3	Confident	90	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.042	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	108.3	170.3	-177.9	0	0	0	0	107.2	D293 S294 V304 I417 R562	D293-V323 HydrophobicContact CB-CG1 4.09Å; S294-V323 CarbonylContact O-C 3.54Å; S294-V323 WeakPolarHBondContact O-CA 3.28Å; V304-V323 HydrophobicContact CG1-CG2 3.71Å; V323-I417 HydrophobicContact CB-CD1 4.27Å; V323-I417 HydrophobicContact CG1-CD1 3.65Å; V323-I417 HydrophobicContact CG2-CD1 3.56Å; V323-R562 PolarHBondContact O-NH1 2.78Å; V323-R562 PolarHBondContact O-NH2 3.03Å
324	W	88.2	Confident	90.4	Very high	20 Å²	20	30.5 Å²	30.5	8%	0.076	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	136.7	178	-67	40.3	0	0	0	108	W233 C268 D293 S294 S322 F326 Y515 T516	W233-W324 AromaticContact CE2-CH2 3.83Å; W233-W324 HydrophobicContact CZ2-CH2 4.01Å; W233-W324 HydrophobicContact CZ2-CZ3 4.31Å; W233-W324 AromaticContact NE1-CH2 3.57Å; W233-W324 AromaticContact NE1-CZ3 3.62Å; C268-W324 HydrophobicContact CB-CZ3 4.43Å; D293-W324 CarbonylContact C-O 3.59Å; D293-W324 VanDerWaalsContact CA-O 3.27Å; D293-W324 WeakPolarHBondContact CA-O 3.3Å; D293-W324 PolarHBondContact N-O 2.92Å; S294-W324 PolarHBondContact N-O 3.21Å; S294-W324 PolarHBondContact O-N 2.96Å; S322-W324 PolarHBondContact OG-NE1 3.5Å; W324-F326 PolarHBondContact O-N 2.97Å; W324-F326 VanDerWaalsContact O-N 3.17Å; W324-Y515 WeakPolarHBondContact CA-O 3.24Å; W324-Y515 HydrophobicContact CE3-CD2 4.22Å; W324-Y515 AromaticContact CE3-CE2 3.51Å; W324-Y515 HydrophobicContact CE3-CE2 3.51Å; W324-Y515 AromaticContact CZ3-CE2 3.76Å; W324-Y515 HydrophobicContact CZ3-CE2 3.76Å; W324-Y515 AromaticContact CZ3-CZ 3.84Å; W324-T516 HydrophobicContact CD2-CG2 3.74Å; W324-T516 HydrophobicContact CE3-CG2 3.59Å; W324-T516 HydrophobicContact CH2-CG2 3.44Å; W324-T516 VanDerWaalsContact CH2-CG2 3.44Å; W324-T516 HydrophobicContact CZ2-CG2 3.6Å; W324-T516 HydrophobicContact CZ3-CG2 3.44Å; W324-T516 VanDerWaalsContact CZ3-CG2 3.44Å
325	N	87.4	Confident	90.9	Very high	5 Å²	5	33 Å²	33	3%	0.027	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	-38	178.5	-63.4	-18.9	0	0	0	111.2	F292 D293 Y515 V560 R562	F292-N325 WeakPolarHBondContact CA-O 3.46Å; D293-N325 PolarHBondContact N-O 2.85Å; N325-Y515 PolarHBondContact N-O 3.24Å; N325-V560 WeakPolarHBondContact ND2-CG2 3.22Å; N325-R562 PolarHBondContact OD1-NH2 3.02Å
326	F	93.2	Very high	91.3	Very high	9 Å²	9	31.4 Å²	31.4	4%	0.039	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	154.9	167.4	69.1	-85.9	0	0	0	109.7	V168 G169 W269 T290 A291 F292 W324 V328 Y515	V168-F326 HydrophobicContact CB-CD1 4.35Å; V168-F326 HydrophobicContact CB-CD2 4.39Å; V168-F326 HydrophobicContact CB-CE1 3.88Å; V168-F326 HydrophobicContact CB-CE2 3.95Å; V168-F326 HydrophobicContact CB-CZ 3.67Å; V168-F326 HydrophobicContact CG1-CD2 4.24Å; V168-F326 HydrophobicContact CG1-CE1 4.44Å; V168-F326 HydrophobicContact CG1-CE2 3.62Å; V168-F326 HydrophobicContact CG1-CZ 3.73Å; G169-F326 VanDerWaalsContact O-CD1 3.26Å; G169-F326 WeakPolarHBondContact O-CD1 3.35Å; W269-F326 AromaticContact CE3-CE2 3.94Å; W269-F326 HydrophobicContact CE3-CE2 3.94Å; W269-F326 HydrophobicContact CE3-CZ 4.02Å; W269-F326 HydrophobicContact CZ3-CE2 4.4Å; W269-F326 HydrophobicContact CZ3-CZ 4.05Å; T290-F326 HydrophobicContact CG2-CB 3.82Å; T290-F326 HydrophobicContact CG2-CD2 4.26Å; T290-F326 HydrophobicContact CG2-CG 4.43Å; A291-F326 CarbonylContact O-C 3.58Å; A291-F326 WeakPolarHBondContact O-CA 3.44Å; F292-F326 HydrophobicContact CD1-CB 3.74Å; F292-F326 HydrophobicContact CE1-CB 3.94Å; F292-F326 HydrophobicContact CG-CB 4.45Å; W324-F326 PolarHBondContact O-N 2.97Å; W324-F326 VanDerWaalsContact O-N 3.17Å; F326-V328 HydrophobicContact CD2-CG2 3.75Å; F326-V328 HydrophobicContact CE2-CG2 3.94Å; F326-Y515 HydrophobicContact CD1-CD2 4.13Å; F326-Y515 AromaticContact CE1-CD2 3.76Å; F326-Y515 HydrophobicContact CE1-CD2 3.76Å; F326-Y515 HydrophobicContact CE1-CE2 4.5Å; F326-Y515 HydrophobicContact CE1-CG 4.06Å; F326-Y515 HydrophobicContact CE2-CD2 4.22Å; F326-Y515 HydrophobicContact CE2-CE2 4.18Å; F326-Y515 AromaticContact CZ-CD2 3.8Å; F326-Y515 HydrophobicContact CZ-CD2 3.8Å; F326-Y515 HydrophobicContact CZ-CE2 4.11Å; F326-Y515 HydrophobicContact CZ-CG 4.23Å
327	H	96.4	Very high	91.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.9	169.1	-175.4	35.4	0	0	0	109	C268 T290 A291 S294 W329 D350 T352 Q354 E388	C268-H327 VanDerWaalsContact CB-ND1 3.26Å; C268-H327 WeakPolarHBondContact CB-ND1 3.43Å; T290-H327 CarbonylContact C-O 3.58Å; T290-H327 VanDerWaalsContact CA-O 3.28Å; T290-H327 WeakPolarHBondContact CA-O 3.42Å; A291-H327 PolarHBondContact N-O 3.5Å; A291-H327 PolarHBondContact O-N 3.28Å; S294-H327 VanDerWaalsContact CB-CB 3.47Å; H327-W329 AromaticContact CD2-CE3 3.72Å; H327-D350 IonicContact CD2-OD2 2.91Å; H327-D350 IonicContact CE1-OD2 3.2Å; H327-D350 PolarHBondContact CE1-OD2 3.34Å; H327-D350 VanDerWaalsContact CE1-OD2 3.24Å; H327-D350 IonicContact NE2-OD2 3.82Å; H327-D350 PolarHBondContact NE2-OD2 2.55Å; H327-T352 PolarHBondContact CE1-OG1 3.19Å; H327-Q354 PolarHBondContact NE2-OE1 2.84Å; H327-Q354 VanDerWaalsContact NE2-OE1 3.14Å; H327-E388 IonicContact CD2-OE1 2.73Å; H327-E388 PolarHBondContact CD2-OE1 3.41Å; H327-E388 IonicContact NE2-OE1 2.73Å
328	V	98.3	Very high	92.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	125.8	-176.7	-166.6	0	0	0	0	109.8	W269 A272 V289 T290 F326	W269-V328 HydrophobicContact CB-CB 4.21Å; W269-V328 HydrophobicContact CB-CG1 4.5Å; W269-V328 HydrophobicContact CB-CG2 3.93Å; A272-V328 HydrophobicContact CB-CB 4.19Å; A272-V328 HydrophobicContact CB-CG1 3.62Å; V289-V328 CarbonylContact O-C 3.55Å; V289-V328 WeakPolarHBondContact O-CA 3.14Å; V289-V328 VanDerWaalsContact O-CG1 3.29Å; V289-V328 WeakPolarHBondContact O-CG1 3.37Å; T290-V328 HydrophobicContact CG2-CG2 4.29Å; F326-V328 HydrophobicContact CD2-CG2 3.75Å; F326-V328 HydrophobicContact CE2-CG2 3.94Å
329	W	98.7	Very high	93.1	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.011	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	-170.4	173.7	64.3	82.1	0	0	0	111	S288 V289 A291 H327 D331 D350 V389 Y438	S288-W329 WeakPolarHBondContact CA-O 3.42Å; V289-W329 HydrophobicContact CG1-CZ2 3.87Å; V289-W329 PolarHBondContact N-O 3.28Å; V289-W329 PolarHBondContact O-N 3.24Å; A291-W329 HydrophobicContact CB-CH2 3.37Å; A291-W329 HydrophobicContact CB-CZ2 4.39Å; A291-W329 HydrophobicContact CB-CZ3 3.61Å; H327-W329 AromaticContact CD2-CE3 3.72Å; W329-D331 PolarHBondContact NE1-OD1 2.99Å; W329-D350 HydrophobicContact CB-CB 3.82Å; W329-V389 HydrophobicContact CH2-CG1 3.78Å; W329-V389 HydrophobicContact CZ2-CG1 4.49Å; W329-Y438 HydrophobicContact CZ2-CD1 4.38Å; W329-Y438 AromaticContact CZ2-CE1 3.59Å; W329-Y438 HydrophobicContact CZ2-CE1 3.59Å; W329-Y438 AromaticContact CZ2-CZ 3.68Å; W329-Y438 AromaticContact NE1-CZ 3.83Å; W329-Y438 PolarHBondContact NE1-OH 2.97Å
330	T	98.9	Very high	93.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131	178.7	-57.8	0	0	0	0	111.4	A272 L275 T276 L279 A286 R287 V349	A272-T330 PolarHBondContact O-OG1 2.93Å; L275-T330 HydrophobicContact CG-CG2 4.44Å; T276-T330 VanDerWaalsContact OG1-CG2 3.3Å; T276-T330 WeakPolarHBondContact OG1-CG2 3.48Å; T276-T330 PolarHBondContact OG1-OG1 3.38Å; T276-T330 VanDerWaalsContact OG1-OG1 3.09Å; L279-T330 HydrophobicContact CD1-CG2 3.94Å; A286-T330 HydrophobicContact CB-CG2 3.91Å; R287-T330 CarbonylContact O-C 3.59Å; R287-T330 WeakPolarHBondContact O-CA 3.31Å; T330-V349 PolarHBondContact N-O 3.34Å; T330-V349 WeakPolarHBondContact O-CA 3.31Å; T330-V349 PolarHBondContact O-N 2.59Å
331	D	98.9	Very high	94.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	133.9	163.7	-76.1	-2.5	0	0	0	109.6	A286 R287 V289 W329 W346 Q347 Y438	A286-D331 CarbonylContact C-O 3.57Å; A286-D331 WeakPolarHBondContact CA-O 3.35Å; R287-D331 HydrophobicContact CG-CB 3.78Å; R287-D331 IonicContact CZ-OD2 3.97Å; R287-D331 PolarHBondContact N-O 2.89Å; R287-D331 IonicContact NE-OD2 3.49Å; R287-D331 PolarHBondContact NE-OD2 2.79Å; R287-D331 VanDerWaalsContact NE-OD2 3.11Å; R287-D331 IonicContact NH2-OD2 2.61Å; R287-D331 PolarHBondContact NH2-OD2 3.32Å; R287-D331 PolarHBondContact O-N 3.12Å; V289-D331 HydrophobicContact CG2-CB 4.07Å; V289-D331 VanDerWaalsContact CG2-CG 3.43Å; V289-D331 WeakPolarHBondContact CG2-OD2 3.36Å; W329-D331 PolarHBondContact NE1-OD1 2.99Å; D331-W346 HydrophobicContact CB-CD2 4.23Å; D331-W346 HydrophobicContact CB-CE3 3.62Å; D331-W346 HydrophobicContact CB-CZ3 4.18Å; D331-Q347 CarbonylContact C-O 3.58Å; D331-Q347 WeakPolarHBondContact CA-O 3.34Å; D331-Y438 PolarHBondContact OD1-OH 2.73Å
332	A	98.9	Very high	95.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	134.8	175.6	0	0	0	0	0	111.3	L279 I284 P285 M334 Q347 V349	L279-A332 HydrophobicContact CD1-CB 3.94Å; I284-A332 HydrophobicContact CG2-CB 4.16Å; P285-A332 WeakPolarHBondContact O-CA 3.33Å; A332-M334 HydrophobicContact CB-CE 3.54Å; A332-Q347 PolarHBondContact N-O 2.84Å; A332-Q347 PolarHBondContact O-N 2.82Å; A332-V349 HydrophobicContact CB-CG2 4.16Å
333	W	98.9	Very high	96.1	Very high	59 Å²	59	35.6 Å²	35.6	22%	0.223	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	120.4	-179	179.9	-91.5	0	0	0	111.7	F148 M149 P285 W346	F148-W333 PolarHBondContact O-NE1 3.21Å; M149-W333 HydrophobicContact CE-CB 3.73Å; M149-W333 HydrophobicContact CE-CD2 3.93Å; M149-W333 HydrophobicContact CE-CE3 4.39Å; M149-W333 HydrophobicContact CE-CG 3.62Å; P285-W333 HydrophobicContact CB-CB 3.93Å; P285-W333 HydrophobicContact CG-CB 4.18Å; P285-W333 PolarHBondContact O-N 2.66Å; W333-W346 HydrophobicContact CB-CD2 4.47Å; W333-W346 HydrophobicContact CB-CE3 3.94Å; W333-W346 HydrophobicContact CB-CH2 4.15Å; W333-W346 HydrophobicContact CB-CZ3 3.79Å; W333-W346 AromaticContact CE3-CD1 3.96Å; W333-W346 AromaticContact CE3-CD2 3.88Å; W333-W346 HydrophobicContact CE3-CD2 3.88Å; W333-W346 AromaticContact CE3-CE2 3.8Å; W333-W346 HydrophobicContact CE3-CE3 4.49Å; W333-W346 AromaticContact CE3-CG 3.98Å; W333-W346 HydrophobicContact CE3-CG 3.98Å; W333-W346 HydrophobicContact CE3-CZ2 4.35Å; W333-W346 AromaticContact CE3-NE1 3.81Å; W333-W346 HydrophobicContact CZ3-CG 4.41Å; W333-W346 AromaticContact CZ3-NE1 3.97Å
334	M	98.8	Very high	96.8	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	160.1	174.3	66.4	-161.5	76	0	0	112.5	T146 V147 P209 V210 C213 I284 A332 G345 Q347	T146-M334 CarbonylContact O-C 3.49Å; T146-M334 WeakPolarHBondContact O-CA 3.35Å; V147-M334 HydrophobicContact CG1-CB 4.38Å; P209-M334 HydrophobicContact CB-CB 4.3Å; P209-M334 HydrophobicContact CB-SD 4.1Å; V210-M334 HydrophobicContact CB-SD 4.39Å; V210-M334 HydrophobicContact CG2-SD 3.74Å; C213-M334 HydrophobicContact CB-CE 4.24Å; C213-M334 WeakPolarHBondContact SG-CE 3.36Å; I284-M334 HydrophobicContact CG2-CE 4.43Å; A332-M334 HydrophobicContact CB-CE 3.54Å; M334-G345 PolarHBondContact N-O 3.39Å; M334-G345 PolarHBondContact O-N 3.1Å; M334-G345 VanDerWaalsContact O-O 3.06Å; M334-Q347 HydrophobicContact CE-CG 4.15Å; M334-Q347 HydrophobicContact CG-CG 3.69Å; M334-Q347 HydrophobicContact SD-CG 4.11Å
335	K	98.6	Very high	97.3	Very high	80 Å²	80	38.6 Å²	38.6	35%	0.348	21%	0.208	S	C	.	.			trans	-72.6	152.9	161.7	-64.3	176.7	-173.8	155.8	0	110.5	K143 T146 P337 D344	K143-K335 PolarHBondContact O-NZ 3.2Å; T146-K335 HydrophobicContact CG2-CB 4.41Å; T146-K335 PolarHBondContact O-N 3.43Å; K335-P337 VanDerWaalsContact C-CD 3.4Å; K335-P337 VanDerWaalsContact O-CD 3.28Å; K335-P337 WeakPolarHBondContact O-CD 3.48Å; K335-D344 VanDerWaalsContact CA-OD1 3.29Å; K335-D344 WeakPolarHBondContact CA-OD1 3.16Å
336	R	98.3	Very high	97.9	Very high	3 Å²	3	39.5 Å²	39.5	1%	0.011	21%	0.211	C	C	.	.			trans	-118.5	68	178.1	-68.9	-60.9	-58.8	-87.1	2.2	111.2	D338 L339 Y343 D344 Q347 P365 V379	R336-D338 VanDerWaalsContact C-OD1 3.3Å; R336-D338 WeakPolarHBondContact CA-OD1 3.22Å; R336-D338 IonicContact CZ-OD1 2.66Å; R336-D338 IonicContact CZ-OD2 3.47Å; R336-D338 IonicContact NE-OD1 2.8Å; R336-D338 PolarHBondContact NE-OD1 2.9Å; R336-D338 IonicContact NE-OD2 2.91Å; R336-D338 PolarHBondContact NE-OD2 2.97Å; R336-D338 IonicContact NH2-OD1 2.8Å; R336-D338 IonicContact NH2-OD2 3.91Å; R336-D338 PolarHBondContact NH2-OD2 3.28Å; R336-D338 PolarHBondContact O-N 2.79Å; R336-D338 VanDerWaalsContact O-N 3.15Å; R336-L339 HydrophobicContact CB-CB 4.09Å; R336-L339 HydrophobicContact CB-CD1 4Å; R336-L339 HydrophobicContact CB-CG 4.11Å; R336-L339 HydrophobicContact CG-CD1 4.21Å; R336-L339 VanDerWaalsContact NH2-CD1 3.33Å; R336-L339 PolarHBondContact O-N 2.81Å; R336-Y343 VanDerWaalsContact CG-O 3.26Å; R336-Y343 WeakPolarHBondContact CG-O 3.3Å; R336-D344 PolarHBondContact N-OD1 3.05Å; R336-Q347 VanDerWaalsContact CG-OE1 3.3Å; R336-P365 PolarHBondContact NH1-O 2.88Å; R336-V379 PolarHBondContact NH2-O 2.81Å
337	P	97	Very high	98.2	Very high	99 Å²	99	39.1 Å²	39.1	64%	0.643	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-15	179.8	30.4	-36.5	0	0	0	113.1	K335 L339	K335-P337 VanDerWaalsContact C-CD 3.4Å; K335-P337 VanDerWaalsContact O-CD 3.28Å; K335-P337 WeakPolarHBondContact O-CD 3.48Å; P337-L339 VanDerWaalsContact C-N 3.27Å
338	D	97.6	Very high	98.3	Very high	71 Å²	71	39.2 Å²	39.2	38%	0.38	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-13.8	172.2	62.8	-54.6	0	0	0	113.4	R336	R336-D338 VanDerWaalsContact C-OD1 3.3Å; R336-D338 WeakPolarHBondContact CA-OD1 3.22Å; R336-D338 IonicContact CZ-OD1 2.66Å; R336-D338 IonicContact CZ-OD2 3.47Å; R336-D338 IonicContact NE-OD1 2.8Å; R336-D338 PolarHBondContact NE-OD1 2.9Å; R336-D338 IonicContact NE-OD2 2.91Å; R336-D338 PolarHBondContact NE-OD2 2.97Å; R336-D338 IonicContact NH2-OD1 2.8Å; R336-D338 IonicContact NH2-OD2 3.91Å; R336-D338 PolarHBondContact NH2-OD2 3.28Å; R336-D338 PolarHBondContact O-N 2.79Å; R336-D338 VanDerWaalsContact O-N 3.15Å
339	L	98.1	Very high	98.3	Very high	26 Å²	26	39.2 Å²	39.2	14%	0.136	21%	0.21	C	C	.	.	S	Bend	trans	-114.9	166	-177.5	-62.4	-174	0	0	0	112.5	R336 P337 Y343 P367 I378 V379	R336-L339 HydrophobicContact CB-CB 4.09Å; R336-L339 HydrophobicContact CB-CD1 4Å; R336-L339 HydrophobicContact CB-CG 4.11Å; R336-L339 HydrophobicContact CG-CD1 4.21Å; R336-L339 VanDerWaalsContact NH2-CD1 3.33Å; R336-L339 PolarHBondContact O-N 2.81Å; P337-L339 VanDerWaalsContact C-N 3.27Å; L339-Y343 HydrophobicContact CB-CD2 4.01Å; L339-Y343 HydrophobicContact CD1-CD2 4.15Å; L339-Y343 HydrophobicContact CD1-CG 4.08Å; L339-P367 HydrophobicContact CD1-CG 3.63Å; L339-I378 HydrophobicContact CD1-CG2 3.51Å; L339-I378 HydrophobicContact CD2-CG2 4.13Å; L339-I378 HydrophobicContact CG-CG2 4.48Å; L339-V379 HydrophobicContact CD2-CG2 3.97Å
340	P	97	Very high	98.3	Very high	85 Å²	85	39.2 Å²	39.2	55%	0.552	21%	0.21	S	C	*	.			trans	-55.8	157	166.5	-24.5	35	0	0	0	112.6	G342 Y343	P340-G342 PolarHBondContact O-N 2.68Å; P340-Y343 HydrophobicContact CB-CE2 4.29Å; P340-Y343 HydrophobicContact CG-CE2 4.49Å; P340-Y343 VanDerWaalsContact O-CD2 3.31Å; P340-Y343 WeakPolarHBondContact O-CD2 3.31Å
341	K	96.8	Very high	98.2	Very high	214 Å²	214	39.4 Å²	39.4	93%	0.93	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	138.9	177.5	-68.2	-175.4	178.2	-179.4	0	111.2
342	G	97.1	Very high	98.1	Very high	44 Å²	44	39.7 Å²	39.7	45%	0.454	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	111.1	0.1	175.6	0	0	0	0	0	115.4	P340 T369	P340-G342 PolarHBondContact O-N 2.68Å; G342-T369 WeakPolarHBondContact O-CG2 3.26Å
343	Y	98.5	Very high	97.7	Very high	21 Å²	21	41.3 Å²	41.3	8%	0.082	22%	0.224	C	C	.	.			trans	-107.9	10	178.8	-62.4	-61.9	0	0	0	114.4	R336 L339 P340 Q347 P367 T369 A370 D375 I378	R336-Y343 VanDerWaalsContact CG-O 3.26Å; R336-Y343 WeakPolarHBondContact CG-O 3.3Å; L339-Y343 HydrophobicContact CB-CD2 4.01Å; L339-Y343 HydrophobicContact CD1-CD2 4.15Å; L339-Y343 HydrophobicContact CD1-CG 4.08Å; P340-Y343 HydrophobicContact CB-CE2 4.29Å; P340-Y343 HydrophobicContact CG-CE2 4.49Å; P340-Y343 VanDerWaalsContact O-CD2 3.31Å; P340-Y343 WeakPolarHBondContact O-CD2 3.31Å; Y343-Q347 PolarHBondContact O-NE2 2.8Å; Y343-P367 HydrophobicContact CD1-CB 3.91Å; Y343-P367 HydrophobicContact CD1-CG 4.17Å; Y343-P367 HydrophobicContact CG-CB 4.29Å; Y343-P367 HydrophobicContact CG-CG 4.22Å; Y343-T369 HydrophobicContact CD1-CG2 4.39Å; Y343-A370 HydrophobicContact CD1-CB 3.79Å; Y343-A370 HydrophobicContact CE1-CB 3.56Å; Y343-D375 PolarHBondContact OH-OD2 2.68Å; Y343-I378 HydrophobicContact CD2-CD1 4.33Å; Y343-I378 HydrophobicContact CE1-CG1 4.26Å; Y343-I378 HydrophobicContact CE2-CD1 3.62Å; Y343-I378 HydrophobicContact CE2-CG1 4.08Å
344	D	98.4	Very high	97	Very high	83 Å²	83	39.5 Å²	39.5	44%	0.444	22%	0.218	S	C	.	.			trans	-66	162.6	170.2	-64	-18.1	0	0	0	111.4	K335 R336	K335-D344 VanDerWaalsContact CA-OD1 3.29Å; K335-D344 WeakPolarHBondContact CA-OD1 3.16Å; R336-D344 PolarHBondContact N-OD1 3.05Å
345	G	98.6	Very high	96.4	Very high	7 Å²	7	41.9 Å²	41.9	7%	0.072	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	106.7	-139.2	173.7	0	0	0	0	0	111.9	M334 Q347	M334-G345 PolarHBondContact N-O 3.39Å; M334-G345 PolarHBondContact O-N 3.1Å; M334-G345 VanDerWaalsContact O-O 3.06Å; G345-Q347 PolarHBondContact O-NE2 2.9Å
346	W	98.9	Very high	95.9	Very high	25 Å²	25	43 Å²	43	10%	0.095	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	133.9	179.6	-69.9	117.5	0	0	0	112.3	M149 Y158 R287 D331 W333 L368	M149-W346 HydrophobicContact CE-CH2 3.93Å; M149-W346 HydrophobicContact CE-CZ2 3.95Å; Y158-W346 HydrophobicContact CD1-CH2 4.32Å; Y158-W346 AromaticContact CD2-CH2 3.72Å; Y158-W346 HydrophobicContact CD2-CH2 3.72Å; Y158-W346 AromaticContact CD2-CZ2 3.77Å; Y158-W346 HydrophobicContact CD2-CZ2 3.77Å; Y158-W346 AromaticContact CE2-CH2 3.98Å; Y158-W346 HydrophobicContact CE2-CH2 3.98Å; Y158-W346 AromaticContact CE2-CZ2 3.58Å; Y158-W346 HydrophobicContact CE2-CZ2 3.58Å; Y158-W346 AromaticContact CG-CH2 3.91Å; Y158-W346 HydrophobicContact CG-CH2 3.91Å; Y158-W346 HydrophobicContact CG-CZ2 4.36Å; R287-W346 HydrophobicContact CG-CH2 4.16Å; R287-W346 HydrophobicContact CG-CZ3 4.15Å; D331-W346 HydrophobicContact CB-CD2 4.23Å; D331-W346 HydrophobicContact CB-CE3 3.62Å; D331-W346 HydrophobicContact CB-CZ3 4.18Å; W333-W346 HydrophobicContact CB-CD2 4.47Å; W333-W346 HydrophobicContact CB-CE3 3.94Å; W333-W346 HydrophobicContact CB-CH2 4.15Å; W333-W346 HydrophobicContact CB-CZ3 3.79Å; W333-W346 AromaticContact CE3-CD1 3.96Å; W333-W346 AromaticContact CE3-CD2 3.88Å; W333-W346 HydrophobicContact CE3-CD2 3.88Å; W333-W346 AromaticContact CE3-CE2 3.8Å; W333-W346 HydrophobicContact CE3-CE3 4.49Å; W333-W346 AromaticContact CE3-CG 3.98Å; W333-W346 HydrophobicContact CE3-CG 3.98Å; W333-W346 HydrophobicContact CE3-CZ2 4.35Å; W333-W346 AromaticContact CE3-NE1 3.81Å; W333-W346 HydrophobicContact CZ3-CG 4.41Å; W333-W346 AromaticContact CZ3-NE1 3.97Å; W346-L368 HydrophobicContact CB-CD1 4.08Å; W346-L368 HydrophobicContact CB-CD2 3.75Å; W346-L368 HydrophobicContact CB-CG 4.34Å; W346-L368 WeakPolarHBondContact O-CD1 3.44Å; W346-L368 PolarHBondContact O-N 3.15Å; W346-L368 VanDerWaalsContact O-N 3.09Å
347	Q	98.9	Very high	95.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.7	176.5	-40.2	-66.2	-60.1	0	0	109.5	D331 A332 M334 R336 Y343 G345 P365 S366 P367	D331-Q347 CarbonylContact C-O 3.58Å; D331-Q347 WeakPolarHBondContact CA-O 3.34Å; A332-Q347 PolarHBondContact N-O 2.84Å; A332-Q347 PolarHBondContact O-N 2.82Å; M334-Q347 HydrophobicContact CE-CG 4.15Å; M334-Q347 HydrophobicContact CG-CG 3.69Å; M334-Q347 HydrophobicContact SD-CG 4.11Å; R336-Q347 VanDerWaalsContact CG-OE1 3.3Å; Y343-Q347 PolarHBondContact O-NE2 2.8Å; G345-Q347 PolarHBondContact O-NE2 2.9Å; Q347-P365 HydrophobicContact CB-CB 3.61Å; Q347-P365 HydrophobicContact CG-CB 4.2Å; Q347-S366 CarbonylContact C-O 3.59Å; Q347-S366 VanDerWaalsContact CA-O 3.25Å; Q347-S366 WeakPolarHBondContact CA-O 3.3Å; Q347-P367 VanDerWaalsContact OE1-CA 3.27Å; Q347-P367 VanDerWaalsContact OE1-CG 3.32Å
348	A	98.9	Very high	95	Very high	3 Å²	3	46.7 Å²	46.7	3%	0.025	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	129.8	174.4	0	0	0	0	0	110	P365 S366 L368 I371 V385 Y438	A348-P365 WeakPolarHBondContact O-CA 3.37Å; A348-S366 PolarHBondContact N-O 2.83Å; A348-S366 PolarHBondContact O-N 2.91Å; A348-L368 HydrophobicContact CB-CD1 4.02Å; A348-I371 HydrophobicContact CB-CD1 4.17Å; A348-V385 HydrophobicContact CB-CG1 4.06Å; A348-Y438 HydrophobicContact CB-CE1 4.43Å
349	V	98.7	Very high	94.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	122.5	179.6	-171.4	0	0	0	0	108.1	C213 L275 T330 A332 P365	C213-V349 HydrophobicContact CB-CG2 4.16Å; L275-V349 HydrophobicContact CD2-CB 4.19Å; L275-V349 HydrophobicContact CD2-CG1 3.77Å; T330-V349 PolarHBondContact N-O 3.34Å; T330-V349 WeakPolarHBondContact O-CA 3.31Å; T330-V349 PolarHBondContact O-N 2.59Å; A332-V349 HydrophobicContact CB-CG2 4.16Å; V349-P365 HydrophobicContact CG2-CB 3.92Å
350	D	98.4	Very high	93.9	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.016	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.4	179.7	-168.7	9.6	0	0	0	111.9	H327 W329 T352 Q354 C363	H327-D350 IonicContact CD2-OD2 2.91Å; H327-D350 IonicContact CE1-OD2 3.2Å; H327-D350 PolarHBondContact CE1-OD2 3.34Å; H327-D350 VanDerWaalsContact CE1-OD2 3.24Å; H327-D350 IonicContact NE2-OD2 3.82Å; H327-D350 PolarHBondContact NE2-OD2 2.55Å; W329-D350 HydrophobicContact CB-CB 3.82Å; D350-T352 VanDerWaalsContact OD1-CB 3.27Å; D350-T352 WeakPolarHBondContact OD1-CB 3.14Å; D350-T352 PolarHBondContact OD1-N 3.01Å; D350-T352 PolarHBondContact OD1-OG1 2.7Å; D350-Q354 PolarHBondContact OD2-OE1 3.39Å; D350-C363 HydrophobicContact CB-CB 3.99Å; D350-C363 PolarHBondContact N-O 2.87Å; D350-C363 VanDerWaalsContact N-O 3.17Å; D350-C363 PolarHBondContact O-N 3.4Å
351	A	97.3	Very high	93.6	Very high	3 Å²	3	45.2 Å²	45.2	3%	0.025	24%	0.238	C	C	.	.			trans	-95.4	-8.6	178.1	0	0	0	0	0	112.5	M220 F271 L275	M220-A351 HydrophobicContact CB-CB 3.6Å; M220-A351 HydrophobicContact CG-CB 3.91Å; F271-A351 HydrophobicContact CB-CB 4.02Å; L275-A351 HydrophobicContact CB-CB 4.15Å; L275-A351 HydrophobicContact CD2-CB 3.89Å
352	T	96.6	Very high	93.4	Very high	7 Å²	7	35.5 Å²	35.5	4%	0.043	20%	0.197	C	C	.	.	S	Bend	trans	-69.9	126.6	177.4	-50.1	0	0	0	0	108.9	W233 C268 F271 H327 D350 Q354	W233-T352 HydrophobicContact CH2-CG2 3.84Å; W233-T352 HydrophobicContact CZ2-CG2 3.81Å; C268-T352 WeakPolarHBondContact CA-OG1 3.44Å; C268-T352 HydrophobicContact CB-CG2 4.17Å; F271-T352 HydrophobicContact CD2-CG2 4.39Å; H327-T352 PolarHBondContact CE1-OG1 3.19Å; D350-T352 VanDerWaalsContact OD1-CB 3.27Å; D350-T352 WeakPolarHBondContact OD1-CB 3.14Å; D350-T352 PolarHBondContact OD1-N 3.01Å; D350-T352 PolarHBondContact OD1-OG1 2.7Å; T352-Q354 VanDerWaalsContact C-N 3.28Å; T352-Q354 HydrophobicContact CG2-CG 4.32Å; T352-Q354 PolarHBondContact O-N 2.87Å
353	P	90.8	Very high	93.4	Very high	34 Å²	34	33.9 Å²	33.9	22%	0.221	18%	0.178	C	C	.	.	S	Bend	trans	-75.3	81.2	-179.1	30.5	-35.7	0	0	0	110.9	S221 F271 F361	S221-P353 WeakPolarHBondContact OG-CB 3.29Å; S221-P353 WeakPolarHBondContact OG-CG 3.42Å; F271-P353 HydrophobicContact CZ-CG 4.5Å; P353-F361 HydrophobicContact CB-CB 3.95Å; P353-F361 HydrophobicContact CB-CD1 3.89Å; P353-F361 HydrophobicContact CB-CD2 4.2Å; P353-F361 HydrophobicContact CB-CE1 4.42Å; P353-F361 HydrophobicContact CB-CG 3.77Å
354	Q	84.9	Confident	93.3	Very high	20 Å²	20	32.9 Å²	32.9	9%	0.093	18%	0.175	C	C	.	.	S	Bend	trans	-94.7	-69	174	-80.8	173.2	-53.1	0	0	110.1	H296 H327 D350 T352 F384 E388	H296-Q354 PolarHBondContact CD2-NE2 3.07Å; H296-Q354 WeakPolarHBondContact NE2-CB 3.17Å; H327-Q354 PolarHBondContact NE2-OE1 2.84Å; H327-Q354 VanDerWaalsContact NE2-OE1 3.14Å; D350-Q354 PolarHBondContact OD2-OE1 3.39Å; T352-Q354 VanDerWaalsContact C-N 3.28Å; T352-Q354 HydrophobicContact CG2-CG 4.32Å; T352-Q354 PolarHBondContact O-N 2.87Å; Q354-F384 HydrophobicContact CB-CZ 3.91Å; Q354-F384 HydrophobicContact CG-CZ 4.48Å; Q354-E388 PolarHBondContact NE2-OE1 2.82Å; Q354-E388 PolarHBondContact OE1-OE1 3.02Å
355	E	85.4	Confident	93.3	Very high	51 Å²	51	28.9 Å²	28.9	24%	0.238	15%	0.153	C	C	.	.	S	Bend	trans	-115.9	149.7	-175.6	-80.1	-64.3	128.2	0	0	112.2	K300 F384	K300-E355 WeakPolarHBondContact CE-OE2 3.35Å; K300-E355 IonicContact NZ-OE2 3.47Å; K300-E355 PolarHBondContact NZ-OE2 3.27Å; E355-F384 HydrophobicContact CB-CD2 4.3Å; E355-F384 HydrophobicContact CB-CE2 4.14Å; E355-F384 HydrophobicContact CB-CZ 4.44Å; E355-F384 HydrophobicContact CG-CD2 3.73Å; E355-F384 HydrophobicContact CG-CE2 3.44Å; E355-F384 VanDerWaalsContact CG-CE2 3.44Å; E355-F384 HydrophobicContact CG-CZ 4.11Å
356	R	88.2	Confident	93.3	Very high	105 Å²	105	28.6 Å²	28.6	40%	0.396	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	122.3	173.6	-69.3	174.6	175.1	-81.3	-6.7	109.7	E223 G359 V360 F361	E223-R356 IonicContact OE1-CZ 3.56Å; E223-R356 IonicContact OE1-NH1 2.79Å; E223-R356 PolarHBondContact OE1-NH1 3.02Å; E223-R356 IonicContact OE1-NH2 2.73Å; E223-R356 PolarHBondContact OE1-NH2 2.81Å; E223-R356 IonicContact OE2-NH1 3.55Å; R356-G359 PolarHBondContact NH1-O 2.95Å; R356-V360 CarbonylContact C-O 3.55Å; R356-V360 WeakPolarHBondContact CA-O 3.38Å; R356-F361 HydrophobicContact CG-CD1 3.83Å; R356-F361 HydrophobicContact CG-CE1 3.71Å; R356-F361 HydrophobicContact CG-CE2 4.44Å; R356-F361 HydrophobicContact CG-CG 4.24Å; R356-F361 HydrophobicContact CG-CZ 4.04Å
357	S	88.8	Confident	93.3	Very high	15 Å²	15	27.4 Å²	27.4	11%	0.105	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	121.4	167.6	-167.7	0	0	0	0	109.2	R214 G359 V360 C362 D381	R214-S357 PolarHBondContact NH2-OG 2.83Å; S357-G359 PolarHBondContact O-N 3.08Å; S357-G359 VanDerWaalsContact O-N 3.14Å; S357-V360 PolarHBondContact N-O 2.77Å; S357-V360 PolarHBondContact O-N 2.92Å; S357-V360 VanDerWaalsContact O-N 3.15Å; S357-V360 VanDerWaalsContact O-O 3.12Å; S357-C362 VanDerWaalsContact CB-O 3.3Å; S357-C362 WeakPolarHBondContact CB-O 3.39Å; S357-D381 WeakPolarHBondContact CB-OD1 3.39Å; S357-D381 VanDerWaalsContact OG-CG 3.29Å; S357-D381 PolarHBondContact OG-OD1 3.35Å; S357-D381 PolarHBondContact OG-OD2 2.97Å
358	Q	87.1	Confident	93.3	Very high	163 Å²	163	27.8 Å²	27.8	76%	0.762	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	35.5	-177	-59.2	172.4	-37.3	0	0	113.4
359	G	85.2	Confident	93.3	Very high	39 Å²	39	30 Å²	30	40%	0.402	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	3.1	176.4	0	0	0	0	0	115.8	R356 S357	R356-G359 PolarHBondContact NH1-O 2.95Å; S357-G359 PolarHBondContact O-N 3.08Å; S357-G359 VanDerWaalsContact O-N 3.14Å
360	V	88.3	Confident	93.3	Very high	62 Å²	62	30 Å²	30	38%	0.376	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	141.9	178.9	-178.4	0	0	0	0	109.6	A218 R356 S357 C362	A218-V360 HydrophobicContact CB-CG1 3.94Å; R356-V360 CarbonylContact C-O 3.55Å; R356-V360 WeakPolarHBondContact CA-O 3.38Å; S357-V360 PolarHBondContact N-O 2.77Å; S357-V360 PolarHBondContact O-N 2.92Å; S357-V360 VanDerWaalsContact O-N 3.15Å; S357-V360 VanDerWaalsContact O-O 3.12Å; V360-C362 PolarHBondContact O-N 2.94Å
361	F	90.9	Very high	93.3	Very high	51 Å²	51	29.8 Å²	29.8	22%	0.224	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	99.7	169.6	-75.4	-63.5	0	0	0	110.3	A218 E223 P353 R356	A218-F361 WeakPolarHBondContact CA-O 3.36Å; E223-F361 HydrophobicContact CG-CD2 4.43Å; E223-F361 VanDerWaalsContact OE2-CD2 3.25Å; E223-F361 WeakPolarHBondContact OE2-CD2 3.41Å; E223-F361 PolarHBondContact OE2-N 3.36Å; P353-F361 HydrophobicContact CB-CB 3.95Å; P353-F361 HydrophobicContact CB-CD1 3.89Å; P353-F361 HydrophobicContact CB-CD2 4.2Å; P353-F361 HydrophobicContact CB-CE1 4.42Å; P353-F361 HydrophobicContact CB-CG 3.77Å; R356-F361 HydrophobicContact CG-CD1 3.83Å; R356-F361 HydrophobicContact CG-CE1 3.71Å; R356-F361 HydrophobicContact CG-CE2 4.44Å; R356-F361 HydrophobicContact CG-CG 4.24Å; R356-F361 HydrophobicContact CG-CZ 4.04Å
362	C	92.4	Very high	93.3	Very high	10 Å²	10	33.3 Å²	33.3	7%	0.068	17%	0.172	C	C	.	.			trans	-161.9	150.8	174.9	62.3	0	0	0	0	108.7	A218 S357 V360	A218-C362 HydrophobicContact CB-CB 3.9Å; S357-C362 VanDerWaalsContact CB-O 3.3Å; S357-C362 WeakPolarHBondContact CB-O 3.39Å; V360-C362 PolarHBondContact O-N 2.94Å
363	C	96.5	Very high	93.4	Very high	9 Å²	9	37.3 Å²	37.3	6%	0.061	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	137.2	176.1	-170.3	0	0	0	0	111.1	D350	D350-C363 HydrophobicContact CB-CB 3.99Å; D350-C363 PolarHBondContact N-O 2.87Å; D350-C363 VanDerWaalsContact N-O 3.17Å; D350-C363 PolarHBondContact O-N 3.4Å
364	G	96.8	Very high	93.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.4	-172.4	178.5	0	0	0	0	0	114	R214 D381	R214-G364 PolarHBondContact NH1-O 2.94Å; G364-D381 PolarHBondContact N-OD2 2.94Å
365	P	98.4	Very high	94.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-73.1	125.3	4.2	27.6	-34.5	0	0	0	114.5	V210 R336 Q347 A348 V349 Y380	V210-P365 HydrophobicContact CB-CG 4.37Å; V210-P365 HydrophobicContact CG1-CG 3.7Å; R336-P365 PolarHBondContact NH1-O 2.88Å; Q347-P365 HydrophobicContact CB-CB 3.61Å; Q347-P365 HydrophobicContact CG-CB 4.2Å; A348-P365 WeakPolarHBondContact O-CA 3.37Å; V349-P365 HydrophobicContact CG2-CB 3.92Å; P365-Y380 HydrophobicContact CG-CD2 4.35Å; P365-Y380 PolarHBondContact O-N 3.46Å
366	S	98.6	Very high	94.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	119.6	177.5	-46.1	0	0	0	0	110.3	Q347 A348 L368 Y380 V385	Q347-S366 CarbonylContact C-O 3.59Å; Q347-S366 VanDerWaalsContact CA-O 3.25Å; Q347-S366 WeakPolarHBondContact CA-O 3.3Å; A348-S366 PolarHBondContact N-O 2.83Å; A348-S366 PolarHBondContact O-N 2.91Å; S366-L368 PolarHBondContact O-N 3.41Å; S366-Y380 PolarHBondContact OG-O 2.97Å; S366-V385 WeakPolarHBondContact OG-CG2 3.1Å
367	P	98.8	Very high	95	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	129.6	179.5	-17.3	28.1	0	0	0	111.6	L339 Y343 Q347 T369 A370 I371 I378	L339-P367 HydrophobicContact CD1-CG 3.63Å; Y343-P367 HydrophobicContact CD1-CB 3.91Å; Y343-P367 HydrophobicContact CD1-CG 4.17Å; Y343-P367 HydrophobicContact CG-CB 4.29Å; Y343-P367 HydrophobicContact CG-CG 4.22Å; Q347-P367 VanDerWaalsContact OE1-CA 3.27Å; Q347-P367 VanDerWaalsContact OE1-CG 3.32Å; P367-T369 PolarHBondContact O-N 3.28Å; P367-A370 HydrophobicContact CB-CB 3.97Å; P367-A370 HydrophobicContact CG-CB 4.15Å; P367-A370 WeakPolarHBondContact O-CB 3.24Å; P367-A370 PolarHBondContact O-N 3Å; P367-I371 PolarHBondContact O-N 2.84Å; P367-I371 VanDerWaalsContact O-N 3.09Å; P367-I378 HydrophobicContact CG-CG2 3.92Å
368	L	98.8	Very high	95.4	Very high	8 Å²	8	34.8 Å²	34.8	4%	0.042	18%	0.177	C	C	.	.	H	α-helix	trans	-58.4	-35.6	176.4	-90.4	62.9	0	0	0	111.4	W346 A348 S366 A370 I371 R372 E437 Y438	W346-L368 HydrophobicContact CB-CD1 4.08Å; W346-L368 HydrophobicContact CB-CD2 3.75Å; W346-L368 HydrophobicContact CB-CG 4.34Å; W346-L368 WeakPolarHBondContact O-CD1 3.44Å; W346-L368 PolarHBondContact O-N 3.15Å; W346-L368 VanDerWaalsContact O-N 3.09Å; A348-L368 HydrophobicContact CB-CD1 4.02Å; S366-L368 PolarHBondContact O-N 3.41Å; L368-A370 VanDerWaalsContact C-N 3.32Å; L368-A370 PolarHBondContact O-N 3.25Å; L368-I371 PolarHBondContact O-N 2.92Å; L368-R372 WeakPolarHBondContact O-CB 3.34Å; L368-R372 PolarHBondContact O-N 3.02Å; L368-E437 HydrophobicContact CD2-CB 4.05Å; L368-Y438 HydrophobicContact CD1-CE1 4.26Å; L368-Y438 HydrophobicContact CD1-CE2 4.41Å; L368-Y438 HydrophobicContact CD2-CD2 3.98Å; L368-Y438 HydrophobicContact CD2-CE2 3.39Å; L368-Y438 HydrophobicContact CG-CD1 4.47Å; L368-Y438 HydrophobicContact CG-CD2 4.26Å; L368-Y438 HydrophobicContact CG-CE1 4.01Å; L368-Y438 HydrophobicContact CG-CE2 3.77Å
369	T	98.4	Very high	95.8	Very high	49 Å²	49	30.3 Å²	30.3	30%	0.301	16%	0.16	S	C	.	.	H	α-helix	trans	-60.8	-37.9	173.7	-57.1	0	0	0	0	112.9	G342 Y343 P367 K373	G342-T369 WeakPolarHBondContact O-CG2 3.26Å; Y343-T369 HydrophobicContact CD1-CG2 4.39Å; P367-T369 PolarHBondContact O-N 3.28Å; T369-K373 HydrophobicContact CG2-CD 3.99Å; T369-K373 WeakPolarHBondContact O-CB 3.42Å; T369-K373 VanDerWaalsContact O-CG 3.31Å; T369-K373 WeakPolarHBondContact O-CG 3.18Å; T369-K373 PolarHBondContact O-N 3.36Å; T369-K373 VanDerWaalsContact O-N 3.15Å
370	A	98.5	Very high	96.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-70.7	-43	178.6	0	0	0	0	0	110.8	Y343 P367 L368 R372 K373 G374 D375 I378 T382	Y343-A370 HydrophobicContact CD1-CB 3.79Å; Y343-A370 HydrophobicContact CE1-CB 3.56Å; P367-A370 HydrophobicContact CB-CB 3.97Å; P367-A370 HydrophobicContact CG-CB 4.15Å; P367-A370 WeakPolarHBondContact O-CB 3.24Å; P367-A370 PolarHBondContact O-N 3Å; L368-A370 VanDerWaalsContact C-N 3.32Å; L368-A370 PolarHBondContact O-N 3.25Å; A370-R372 PolarHBondContact O-N 3.2Å; A370-K373 PolarHBondContact O-N 2.9Å; A370-G374 PolarHBondContact O-N 2.98Å; A370-D375 HydrophobicContact CB-CB 4.22Å; A370-D375 PolarHBondContact O-N 3.46Å; A370-I378 HydrophobicContact CB-CB 4.01Å; A370-I378 HydrophobicContact CB-CG1 4.23Å; A370-I378 HydrophobicContact CB-CG2 4.04Å; A370-T382 HydrophobicContact CB-CG2 3.93Å
371	I	98.5	Very high	96.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58	-50.6	174	-61.5	162	0	0	0	109.5	A348 P367 L368 K373 G374 T382 V385 F386 V389 Y438	A348-I371 HydrophobicContact CB-CD1 4.17Å; P367-I371 PolarHBondContact O-N 2.84Å; P367-I371 VanDerWaalsContact O-N 3.09Å; L368-I371 PolarHBondContact O-N 2.92Å; I371-K373 VanDerWaalsContact C-N 3.26Å; I371-K373 PolarHBondContact O-N 3.09Å; I371-G374 PolarHBondContact O-N 3.14Å; I371-G374 VanDerWaalsContact O-N 3.11Å; I371-T382 HydrophobicContact CG1-CG2 3.98Å; I371-V385 HydrophobicContact CD1-CB 4.03Å; I371-V385 HydrophobicContact CD1-CG1 3.46Å; I371-V385 VanDerWaalsContact CD1-CG1 3.46Å; I371-V385 HydrophobicContact CG1-CB 4.45Å; I371-V385 HydrophobicContact CG1-CG1 4.29Å; I371-F386 HydrophobicContact CG2-CD2 4.26Å; I371-F386 WeakPolarHBondContact O-CD2 3.31Å; I371-F386 VanDerWaalsContact O-CE2 3.27Å; I371-F386 WeakPolarHBondContact O-CE2 3.31Å; I371-V389 HydrophobicContact CG2-CG2 3.92Å; I371-Y438 HydrophobicContact CD1-CD1 4.33Å; I371-Y438 HydrophobicContact CD1-CE1 4.1Å; I371-Y438 HydrophobicContact CG2-CD1 4.14Å
372	R	98.3	Very high	96.9	Very high	77 Å²	77	27.3 Å²	27.3	29%	0.291	13%	0.132	S	C	.	.	H	α-helix	trans	-60.4	-32	-179.2	-176	173.4	175.5	172.7	-0.7	114.3	L368 A370 Y436 Y438 Y440	L368-R372 WeakPolarHBondContact O-CB 3.34Å; L368-R372 PolarHBondContact O-N 3.02Å; A370-R372 PolarHBondContact O-N 3.2Å; R372-Y436 WeakPolarHBondContact CD-O 3.37Å; R372-Y436 PolarHBondContact NE-O 2.85Å; R372-Y436 PolarHBondContact NH1-O 2.97Å; R372-Y438 WeakPolarHBondContact CA-O 3.41Å; R372-Y438 PolarHBondContact N-O 3.32Å; R372-Y440 HydrophobicContact CG-CD2 4.35Å; R372-Y440 HydrophobicContact CG-CE2 4.02Å; R372-Y440 WeakPolarHBondContact O-CE2 3.39Å
373	K	97.6	Very high	97	Very high	90 Å²	90	30.7 Å²	30.7	39%	0.391	14%	0.143	S	C	.	.	H	α-helix	trans	-90.4	-8.1	179.9	-70.3	175.4	-179.5	176.4	0	113.9	T369 A370 I371 D375 H453	T369-K373 HydrophobicContact CG2-CD 3.99Å; T369-K373 WeakPolarHBondContact O-CB 3.42Å; T369-K373 VanDerWaalsContact O-CG 3.31Å; T369-K373 WeakPolarHBondContact O-CG 3.18Å; T369-K373 PolarHBondContact O-N 3.36Å; T369-K373 VanDerWaalsContact O-N 3.15Å; A370-K373 PolarHBondContact O-N 2.9Å; I371-K373 VanDerWaalsContact C-N 3.26Å; I371-K373 PolarHBondContact O-N 3.09Å; K373-D375 VanDerWaalsContact C-N 3.28Å; K373-D375 VanDerWaalsContact CB-OD2 3.25Å; K373-D375 WeakPolarHBondContact CB-OD2 3.43Å; K373-D375 WeakPolarHBondContact CD-OD2 3.35Å; K373-H453 PolarHBondContact O-ND1 3.23Å
374	G	96.6	Very high	96.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	26.4	-172.5	0	0	0	0	0	113.2	A370 I371 I376 F386 H453	A370-G374 PolarHBondContact O-N 2.98Å; I371-G374 PolarHBondContact O-N 3.14Å; I371-G374 VanDerWaalsContact O-N 3.11Å; G374-I376 PolarHBondContact O-N 3.19Å; G374-F386 VanDerWaalsContact CA-CE2 3.48Å; G374-H453 PolarHBondContact O-ND1 2.99Å
375	D	97	Very high	96.9	Very high	21 Å²	21	30.9 Å²	30.9	11%	0.112	14%	0.143	C	C	.	.			trans	-78.4	59.1	175.8	-65.2	-40.5	0	0	0	110.1	Y343 A370 K373 F377 I378 H453	Y343-D375 PolarHBondContact OH-OD2 2.68Å; A370-D375 HydrophobicContact CB-CB 4.22Å; A370-D375 PolarHBondContact O-N 3.46Å; K373-D375 VanDerWaalsContact C-N 3.28Å; K373-D375 VanDerWaalsContact CB-OD2 3.25Å; K373-D375 WeakPolarHBondContact CB-OD2 3.43Å; K373-D375 WeakPolarHBondContact CD-OD2 3.35Å; D375-F377 HydrophobicContact CB-CE1 4.01Å; D375-F377 HydrophobicContact CB-CZ 4.3Å; D375-F377 PolarHBondContact O-N 3.24Å; D375-I378 HydrophobicContact CB-CG1 3.9Å; D375-I378 WeakPolarHBondContact O-CB 3.43Å; D375-I378 WeakPolarHBondContact O-CG1 3.36Å; D375-I378 PolarHBondContact O-N 3.03Å; D375-H453 IonicContact OD1-CE1 3.33Å; D375-H453 PolarHBondContact OD1-CE1 3.43Å
376	I	95	Very high	96.8	Very high	14 Å²	14	30.9 Å²	30.9	7%	0.072	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-11.7	-167.2	60.7	167	0	0	0	114.9	L302 G374 R383 F386 A454 L457 L458	L302-I376 HydrophobicContact CD1-CD1 4.4Å; G374-I376 PolarHBondContact O-N 3.19Å; I376-R383 HydrophobicContact CB-CB 4.01Å; I376-R383 HydrophobicContact CB-CG 4.41Å; I376-R383 HydrophobicContact CD1-CG 4.31Å; I376-R383 PolarHBondContact O-N 2.83Å; I376-F386 HydrophobicContact CG2-CB 3.9Å; I376-F386 HydrophobicContact CG2-CD1 3.95Å; I376-F386 HydrophobicContact CG2-CD2 4.19Å; I376-F386 HydrophobicContact CG2-CG 3.74Å; I376-A454 HydrophobicContact CD1-CB 4.36Å; I376-A454 VanDerWaalsContact CD1-O 3.3Å; I376-A454 WeakPolarHBondContact CD1-O 3.42Å; I376-A454 HydrophobicContact CG2-CB 4.07Å; I376-L457 HydrophobicContact CD1-CB 3.98Å; I376-L457 HydrophobicContact CG1-CB 3.97Å; I376-L457 HydrophobicContact CG1-CD1 3.88Å; I376-L458 HydrophobicContact CD1-CD2 3.77Å
377	F	93.7	Very high	96.6	Very high	127 Å²	127	30.9 Å²	30.9	56%	0.557	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-14.1	175.4	63.3	-89.9	0	0	0	113.3	D375 V379 L457	D375-F377 HydrophobicContact CB-CE1 4.01Å; D375-F377 HydrophobicContact CB-CZ 4.3Å; D375-F377 PolarHBondContact O-N 3.24Å; F377-V379 PolarHBondContact O-N 2.88Å; F377-L457 HydrophobicContact CD1-CD1 3.87Å; F377-L457 HydrophobicContact CD1-CD2 4.32Å; F377-L457 HydrophobicContact CE1-CD1 4.23Å
378	I	97.2	Very high	96.4	Very high	10 Å²	10	31 Å²	31	5%	0.051	14%	0.144	C	C	.	.	S	Bend	trans	-68.4	130.1	179.1	-66.4	-66.5	0	0	0	109.6	L339 Y343 P367 A370 D375 T382	L339-I378 HydrophobicContact CD1-CG2 3.51Å; L339-I378 HydrophobicContact CD2-CG2 4.13Å; L339-I378 HydrophobicContact CG-CG2 4.48Å; Y343-I378 HydrophobicContact CD2-CD1 4.33Å; Y343-I378 HydrophobicContact CE1-CG1 4.26Å; Y343-I378 HydrophobicContact CE2-CD1 3.62Å; Y343-I378 HydrophobicContact CE2-CG1 4.08Å; P367-I378 HydrophobicContact CG-CG2 3.92Å; A370-I378 HydrophobicContact CB-CB 4.01Å; A370-I378 HydrophobicContact CB-CG1 4.23Å; A370-I378 HydrophobicContact CB-CG2 4.04Å; D375-I378 HydrophobicContact CB-CG1 3.9Å; D375-I378 WeakPolarHBondContact O-CB 3.43Å; D375-I378 WeakPolarHBondContact O-CG1 3.36Å; D375-I378 PolarHBondContact O-N 3.03Å; I378-T382 WeakPolarHBondContact O-CB 3.37Å; I378-T382 PolarHBondContact O-OG1 3.02Å
379	V	95.8	Very high	96.2	Very high	69 Å²	69	30.6 Å²	30.6	42%	0.418	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	148.2	176.3	-63.1	0	0	0	0	111.4	R336 L339 F377	R336-V379 PolarHBondContact NH2-O 2.81Å; L339-V379 HydrophobicContact CD2-CG2 3.97Å; F377-V379 PolarHBondContact O-N 2.88Å
380	Y	96	Very high	96.1	Very high	48 Å²	48	29 Å²	29	19%	0.188	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	cis	-104.7	147	1.8	-64.2	-91	0	0	0	110.1	V210 P365 S366 T382	V210-Y380 HydrophobicContact CG1-CD2 4.44Å; V210-Y380 HydrophobicContact CG1-CE2 3.8Å; P365-Y380 HydrophobicContact CG-CD2 4.35Å; P365-Y380 PolarHBondContact O-N 3.46Å; S366-Y380 PolarHBondContact OG-O 2.97Å; Y380-T382 PolarHBondContact O-N 2.73Å
381	D	96.3	Very high	95.8	Very high	40 Å²	40	29.1 Å²	29.1	21%	0.214	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	15	165.6	-46.6	-51.3	0	0	0	116.3	R214 S357 G364 R383 F384 V385	R214-D381 IonicContact CZ-OD2 2.62Å; R214-D381 IonicContact NH1-OD2 3.36Å; R214-D381 PolarHBondContact NH1-OD2 3.13Å; S357-D381 WeakPolarHBondContact CB-OD1 3.39Å; S357-D381 VanDerWaalsContact OG-CG 3.29Å; S357-D381 PolarHBondContact OG-OD1 3.35Å; S357-D381 PolarHBondContact OG-OD2 2.97Å; G364-D381 PolarHBondContact N-OD2 2.94Å; D381-R383 VanDerWaalsContact C-N 3.26Å; D381-R383 PolarHBondContact O-N 3.03Å; D381-F384 WeakPolarHBondContact O-CB 3.04Å; D381-F384 PolarHBondContact O-N 3.33Å; D381-V385 PolarHBondContact O-N 3.42Å
382	T	96.5	Very high	95.4	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	13%	0.133	C	C	.	.	H	α-helix	trans	-56.6	-38.3	-175.8	-58	0	0	0	0	112.4	A370 I371 I378 Y380 F384 V385 F386	A370-T382 HydrophobicContact CB-CG2 3.93Å; I371-T382 HydrophobicContact CG1-CG2 3.98Å; I378-T382 WeakPolarHBondContact O-CB 3.37Å; I378-T382 PolarHBondContact O-OG1 3.02Å; Y380-T382 PolarHBondContact O-N 2.73Å; T382-F384 VanDerWaalsContact C-N 3.32Å; T382-F384 PolarHBondContact O-N 3.06Å; T382-V385 PolarHBondContact O-N 3.48Å; T382-F386 WeakPolarHBondContact O-CB 3.18Å; T382-F386 PolarHBondContact O-N 3.08Å
383	R	94.6	Very high	95	Very high	82 Å²	82	25.8 Å²	25.8	31%	0.309	12%	0.12	S	C	.	.	H	α-helix	trans	-56.1	-44.7	174.9	-178.6	173.8	172.6	178	-5.1	112.7	K300 L302 I376 D381 F386 S387	K300-R383 PolarHBondContact O-NE 3.26Å; K300-R383 PolarHBondContact O-NH2 3.25Å; L302-R383 HydrophobicContact CD2-CG 4.22Å; I376-R383 HydrophobicContact CB-CB 4.01Å; I376-R383 HydrophobicContact CB-CG 4.41Å; I376-R383 HydrophobicContact CD1-CG 4.31Å; I376-R383 PolarHBondContact O-N 2.83Å; D381-R383 VanDerWaalsContact C-N 3.26Å; D381-R383 PolarHBondContact O-N 3.03Å; R383-F386 PolarHBondContact O-N 2.85Å; R383-S387 PolarHBondContact O-N 2.79Å; R383-S387 PolarHBondContact O-OG 3.39Å
384	F	93.8	Very high	94.7	Very high	9 Å²	9	21.6 Å²	21.6	4%	0.039	10%	0.102	C	C	.	.	H	α-helix	trans	-65.3	-53.9	179.8	173.5	-100.6	0	0	0	110.2	H296 Q354 E355 D381 T382 F386 S387 E388	H296-F384 AromaticContact CD2-CE2 3.78Å; H296-F384 AromaticContact CD2-CZ 3.8Å; Q354-F384 HydrophobicContact CB-CZ 3.91Å; Q354-F384 HydrophobicContact CG-CZ 4.48Å; E355-F384 HydrophobicContact CB-CD2 4.3Å; E355-F384 HydrophobicContact CB-CE2 4.14Å; E355-F384 HydrophobicContact CB-CZ 4.44Å; E355-F384 HydrophobicContact CG-CD2 3.73Å; E355-F384 HydrophobicContact CG-CE2 3.44Å; E355-F384 VanDerWaalsContact CG-CE2 3.44Å; E355-F384 HydrophobicContact CG-CZ 4.11Å; D381-F384 WeakPolarHBondContact O-CB 3.04Å; D381-F384 PolarHBondContact O-N 3.33Å; T382-F384 VanDerWaalsContact C-N 3.32Å; T382-F384 PolarHBondContact O-N 3.06Å; F384-F386 PolarHBondContact O-N 3.21Å; F384-S387 WeakPolarHBondContact O-CB 3.15Å; F384-S387 PolarHBondContact O-N 2.59Å; F384-E388 HydrophobicContact CD1-CG 4.27Å; F384-E388 HydrophobicContact CE1-CG 3.94Å; F384-E388 WeakPolarHBondContact CE1-OE2 3.28Å; F384-E388 HydrophobicContact CZ-CG 4.08Å; F384-E388 WeakPolarHBondContact O-CG 3.22Å; F384-E388 PolarHBondContact O-N 3.32Å
385	V	96.2	Very high	94.4	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.018	10%	0.102	C	C	.	.	H	α-helix	trans	-61.5	-32.5	-179.9	-172.7	0	0	0	0	111.8	A348 S366 I371 D381 T382 E388	A348-V385 HydrophobicContact CB-CG1 4.06Å; S366-V385 WeakPolarHBondContact OG-CG2 3.1Å; I371-V385 HydrophobicContact CD1-CB 4.03Å; I371-V385 HydrophobicContact CD1-CG1 3.46Å; I371-V385 VanDerWaalsContact CD1-CG1 3.46Å; I371-V385 HydrophobicContact CG1-CB 4.45Å; I371-V385 HydrophobicContact CG1-CG1 4.29Å; D381-V385 PolarHBondContact O-N 3.42Å; T382-V385 PolarHBondContact O-N 3.48Å; V385-E388 WeakPolarHBondContact O-CB 3.45Å; V385-E388 PolarHBondContact O-N 3.25Å
386	F	96.9	Very high	94.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.4	-47.8	172.9	-177.9	-86.9	0	0	0	111.9	L302 I371 G374 I376 T382 R383 F384 E388 V389 N390 V450 M451 A454	L302-F386 HydrophobicContact CD2-CD1 3.93Å; L302-F386 HydrophobicContact CD2-CE1 4.41Å; I371-F386 HydrophobicContact CG2-CD2 4.26Å; I371-F386 WeakPolarHBondContact O-CD2 3.31Å; I371-F386 VanDerWaalsContact O-CE2 3.27Å; I371-F386 WeakPolarHBondContact O-CE2 3.31Å; G374-F386 VanDerWaalsContact CA-CE2 3.48Å; I376-F386 HydrophobicContact CG2-CB 3.9Å; I376-F386 HydrophobicContact CG2-CD1 3.95Å; I376-F386 HydrophobicContact CG2-CD2 4.19Å; I376-F386 HydrophobicContact CG2-CG 3.74Å; T382-F386 WeakPolarHBondContact O-CB 3.18Å; T382-F386 PolarHBondContact O-N 3.08Å; R383-F386 PolarHBondContact O-N 2.85Å; F384-F386 PolarHBondContact O-N 3.21Å; F386-E388 VanDerWaalsContact C-N 3.26Å; F386-E388 PolarHBondContact O-N 3.27Å; F386-V389 PolarHBondContact O-N 3.37Å; F386-N390 HydrophobicContact CD1-CB 4.17Å; F386-N390 WeakPolarHBondContact CD2-ND2 3.5Å; F386-N390 HydrophobicContact CE1-CB 3.74Å; F386-N390 HydrophobicContact CE2-CB 4.22Å; F386-N390 WeakPolarHBondContact CE2-ND2 3.36Å; F386-N390 HydrophobicContact CZ-CB 3.77Å; F386-N390 WeakPolarHBondContact O-CB 3.29Å; F386-N390 PolarHBondContact O-N 3.4Å; F386-V450 HydrophobicContact CE2-CG1 3.8Å; F386-V450 HydrophobicContact CZ-CG1 3.99Å; F386-M451 HydrophobicContact CE1-SD 3.71Å; F386-M451 HydrophobicContact CZ-SD 4.12Å; F386-A454 HydrophobicContact CD1-CB 4.44Å; F386-A454 HydrophobicContact CE1-CB 3.73Å; F386-A454 HydrophobicContact CZ-CB 3.85Å
387	S	93.5	Very high	94.1	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.007	10%	0.099	C	C	.	.	H	α-helix	trans	-57.3	-40.7	174.1	-69.4	0	0	0	0	111.4	A295 D297 L302 R383 F384 V389 G391	A295-S387 WeakPolarHBondContact CB-O 3.39Å; D297-S387 WeakPolarHBondContact OD2-CB 2.92Å; D297-S387 PolarHBondContact OD2-OG 3.41Å; L302-S387 VanDerWaalsContact CD2-OG 3.31Å; L302-S387 WeakPolarHBondContact CD2-OG 3.34Å; R383-S387 PolarHBondContact O-N 2.79Å; R383-S387 PolarHBondContact O-OG 3.39Å; F384-S387 WeakPolarHBondContact O-CB 3.15Å; F384-S387 PolarHBondContact O-N 2.59Å; S387-V389 PolarHBondContact O-N 3.12Å; S387-V389 VanDerWaalsContact O-N 3.09Å; S387-G391 WeakPolarHBondContact O-CA 3.44Å; S387-G391 PolarHBondContact O-N 3.27Å
388	E	94.6	Very high	94.1	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-56.4	-29.6	-178.9	-62.6	-164.1	97	0	0	113.3	A295 H327 Q354 F384 V385 F386 I417	A295-E388 PolarHBondContact N-O 2.92Å; A295-E388 WeakPolarHBondContact O-CA 3.19Å; A295-E388 WeakPolarHBondContact O-CG 3.18Å; H327-E388 IonicContact CD2-OE1 2.73Å; H327-E388 PolarHBondContact CD2-OE1 3.41Å; H327-E388 IonicContact NE2-OE1 2.73Å; Q354-E388 PolarHBondContact NE2-OE1 2.82Å; Q354-E388 PolarHBondContact OE1-OE1 3.02Å; F384-E388 HydrophobicContact CD1-CG 4.27Å; F384-E388 HydrophobicContact CE1-CG 3.94Å; F384-E388 WeakPolarHBondContact CE1-OE2 3.28Å; F384-E388 HydrophobicContact CZ-CG 4.08Å; F384-E388 WeakPolarHBondContact O-CG 3.22Å; F384-E388 PolarHBondContact O-N 3.32Å; V385-E388 WeakPolarHBondContact O-CB 3.45Å; V385-E388 PolarHBondContact O-N 3.25Å; F386-E388 VanDerWaalsContact C-N 3.26Å; F386-E388 PolarHBondContact O-N 3.27Å; E388-I417 WeakPolarHBondContact O-CG2 3.44Å
389	V	96.3	Very high	93.7	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-116.8	-13.5	-175.1	-56.8	0	0	0	0	115.6	A291 W329 I371 F386 S387 I421 Y438 K439	A291-V389 HydrophobicContact CB-CG1 4.38Å; W329-V389 HydrophobicContact CH2-CG1 3.78Å; W329-V389 HydrophobicContact CZ2-CG1 4.49Å; I371-V389 HydrophobicContact CG2-CG2 3.92Å; F386-V389 PolarHBondContact O-N 3.37Å; S387-V389 PolarHBondContact O-N 3.12Å; S387-V389 VanDerWaalsContact O-N 3.09Å; V389-I421 HydrophobicContact CB-CD1 4.18Å; V389-I421 HydrophobicContact CG1-CD1 3.89Å; V389-Y438 HydrophobicContact CG1-CD1 4.38Å; V389-Y438 HydrophobicContact CG2-CD1 4.36Å; V389-K439 PolarHBondContact O-NZ 2.98Å
390	N	95.3	Very high	93.3	Very high	16 Å²	16	20.1 Å²	20.1	9%	0.086	9%	0.091	C	C	.	.	H	α-helix	trans	-126.3	-2	-178.5	-65.9	-64.9	0	0	0	114.6	F386 D392 K439 M451	F386-N390 HydrophobicContact CD1-CB 4.17Å; F386-N390 WeakPolarHBondContact CD2-ND2 3.5Å; F386-N390 HydrophobicContact CE1-CB 3.74Å; F386-N390 HydrophobicContact CE2-CB 4.22Å; F386-N390 WeakPolarHBondContact CE2-ND2 3.36Å; F386-N390 HydrophobicContact CZ-CB 3.77Å; F386-N390 WeakPolarHBondContact O-CB 3.29Å; F386-N390 PolarHBondContact O-N 3.4Å; N390-D392 PolarHBondContact O-N 2.89Å; N390-K439 VanDerWaalsContact OD1-CB 3.32Å; N390-K439 WeakPolarHBondContact OD1-CB 3.33Å; N390-K439 VanDerWaalsContact OD1-CD 3.31Å; N390-K439 WeakPolarHBondContact OD1-CD 3.23Å; N390-M451 HydrophobicContact CB-SD 4.48Å; N390-M451 WeakPolarHBondContact O-CE 3.5Å
391	G	92.1	Very high	92.8	Very high	2 Å²	2	20.2 Å²	20.2	2%	0.021	10%	0.097	C	C	.	.	P	Polyproline II helix	trans	-54.8	131.2	-174.7	0	0	0	0	0	113.4	L302 S387 I417	L302-G391 WeakPolarHBondContact O-CA 3.33Å; S387-G391 WeakPolarHBondContact O-CA 3.44Å; S387-G391 PolarHBondContact O-N 3.27Å; G391-I417 WeakPolarHBondContact O-CB 3.34Å; G391-I417 WeakPolarHBondContact O-CG1 3.4Å
392	D	91.1	Very high	92.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	123.3	173.2	-81.8	-28.9	0	0	0	108.6	L302 T303 V304 N390 M412 T414 R448 M451 R462	L302-D392 PolarHBondContact O-N 3.01Å; L302-D392 VanDerWaalsContact O-N 3.13Å; T303-D392 CarbonylContact C-O 3.44Å; T303-D392 WeakPolarHBondContact CA-O 3.21Å; T303-D392 WeakPolarHBondContact CB-O 3.25Å; T303-D392 HydrophobicContact CG2-CB 4.41Å; V304-D392 PolarHBondContact N-O 3.03Å; N390-D392 PolarHBondContact O-N 2.89Å; D392-M412 HydrophobicContact CB-CE 3.88Å; D392-M412 WeakPolarHBondContact OD2-CE 3.39Å; D392-T414 WeakPolarHBondContact OD1-CA 3.16Å; D392-T414 WeakPolarHBondContact OD1-CB 3.4Å; D392-T414 WeakPolarHBondContact OD1-CG2 3.5Å; D392-R448 IonicContact OD1-NH1 3.29Å; D392-R448 IonicContact OD2-CZ 3.53Å; D392-R448 IonicContact OD2-NH1 3.78Å; D392-R448 PolarHBondContact OD2-NH1 2.91Å; D392-M451 HydrophobicContact CB-CE 4.13Å; D392-R462 IonicContact OD2-CZ 2.69Å; D392-R462 IonicContact OD2-NH2 3.6Å; D392-R462 PolarHBondContact OD2-NH2 3.04Å
393	R	89.8	Confident	91.8	Very high	8 Å²	8	29.2 Å²	29.2	3%	0.03	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	127.6	-179.6	-170.7	-172.4	-173	170.5	10.5	111.4	V304 M412 E413 F564 E579	V304-R393 HydrophobicContact CB-CG 4.43Å; V304-R393 WeakPolarHBondContact O-CA 3.16Å; R393-M412 CarbonylContact O-C 3.54Å; R393-M412 WeakPolarHBondContact O-CA 3.46Å; R393-E413 HydrophobicContact CB-CB 4.25Å; R393-E413 WeakPolarHBondContact CD-OE2 3.41Å; R393-E413 PolarHBondContact N-O 2.97Å; R393-E413 IonicContact NH1-OE2 2.9Å; R393-E413 PolarHBondContact O-N 3.46Å; R393-F564 VanDerWaalsContact NH2-CZ 3.26Å; R393-E579 IonicContact CZ-OE1 3.95Å; R393-E579 IonicContact CZ-OE2 3.71Å; R393-E579 VanDerWaalsContact NH1-CD 3.28Å; R393-E579 IonicContact NH1-OE1 2.98Å; R393-E579 IonicContact NH1-OE2 3.67Å; R393-E579 PolarHBondContact NH1-OE2 2.85Å; R393-E579 IonicContact NH2-OE1 2.85Å; R393-E579 PolarHBondContact NH2-OE1 2.99Å; R393-E579 IonicContact NH2-OE2 2.73Å; R393-E579 PolarHBondContact NH2-OE2 2.8Å
394	L	90.4	Very high	91.4	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.9	176	-58.6	-177.6	0	0	0	110.3	T303 V304 D305 T306 W396 M412 H464	T303-L394 HydrophobicContact CG2-CD1 4.04Å; T303-L394 HydrophobicContact CG2-CG 4.43Å; V304-L394 PolarHBondContact O-N 3.3Å; D305-L394 WeakPolarHBondContact OD1-CB 3.19Å; D305-L394 WeakPolarHBondContact OD1-CD1 3.33Å; T306-L394 PolarHBondContact N-O 2.63Å; L394-W396 HydrophobicContact CD1-CZ2 4.38Å; L394-M412 HydrophobicContact CD2-CB 3.87Å; L394-M412 HydrophobicContact CD2-CE 4.09Å; L394-M412 HydrophobicContact CD2-CG 3.6Å; L394-M412 HydrophobicContact CD2-SD 4.04Å; L394-H464 HydrophobicContact CD1-CB 3.93Å; L394-H464 WeakPolarHBondContact CD1-CD2 3.46Å
395	I	90.8	Very high	91.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	113.7	174.3	-52.4	180	0	0	0	108.7	T306 V308 I410 S411 F564 A577	T306-I395 CarbonylContact O-C 3.57Å; T306-I395 WeakPolarHBondContact O-CA 3.49Å; V308-I395 HydrophobicContact CG2-CG2 4.03Å; I395-I410 HydrophobicContact CB-CG1 4.36Å; I395-I410 HydrophobicContact CG2-CD1 4.14Å; I395-I410 HydrophobicContact CG2-CG1 4.03Å; I395-I410 VanDerWaalsContact O-CG1 3.29Å; I395-I410 WeakPolarHBondContact O-CG1 3.19Å; I395-I410 PolarHBondContact O-N 3.05Å; I395-S411 PolarHBondContact N-O 3.37Å; I395-S411 PolarHBondContact O-N 3.29Å; I395-F564 HydrophobicContact CD1-CE1 4.33Å; I395-A577 HydrophobicContact CD1-CB 4.2Å; I395-A577 HydrophobicContact CG2-CB 3.98Å
396	W	92.7	Very high	90.9	Very high	27 Å²	27	41.7 Å²	41.7	10%	0.102	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.5	179.3	-62.9	89.7	0	0	0	110.4	D305 T306 Y307 V308 L394 L407 H408 I409 H464	D305-W396 PolarHBondContact OD1-NE1 2.87Å; T306-W396 PolarHBondContact O-N 3.14Å; Y307-W396 CarbonylContact C-O 3.55Å; Y307-W396 WeakPolarHBondContact CA-O 3.47Å; Y307-W396 HydrophobicContact CD1-CB 3.45Å; Y307-W396 VanDerWaalsContact CD1-CB 3.45Å; Y307-W396 AromaticContact CD1-CG 3.92Å; Y307-W396 HydrophobicContact CD1-CG 3.92Å; Y307-W396 HydrophobicContact CE1-CB 3.72Å; Y307-W396 AromaticContact CE1-CD1 3.89Å; Y307-W396 HydrophobicContact CE1-CD2 4.17Å; Y307-W396 AromaticContact CE1-CG 3.66Å; Y307-W396 HydrophobicContact CE1-CG 3.66Å; Y307-W396 HydrophobicContact CG-CB 4.11Å; Y307-W396 AromaticContact CZ-CD1 3.95Å; V308-W396 WeakPolarHBondContact CG2-O 3.27Å; V308-W396 PolarHBondContact N-O 3.15Å; L394-W396 HydrophobicContact CD1-CZ2 4.38Å; W396-L407 HydrophobicContact CE3-CB 3.9Å; W396-L407 HydrophobicContact CZ3-CB 4.17Å; W396-H408 CarbonylContact C-O 3.48Å; W396-H408 WeakPolarHBondContact CA-O 3.31Å; W396-I409 HydrophobicContact CD2-CG1 3.83Å; W396-I409 HydrophobicContact CE3-CG1 3.51Å; W396-I409 HydrophobicContact CH2-CD1 3.5Å; W396-I409 VanDerWaalsContact CH2-CD1 3.5Å; W396-I409 HydrophobicContact CH2-CG1 3.37Å; W396-I409 HydrophobicContact CZ2-CD1 3.69Å; W396-I409 HydrophobicContact CZ2-CG1 3.65Å; W396-I409 HydrophobicContact CZ3-CD1 3.95Å; W396-I409 HydrophobicContact CZ3-CG1 3.29Å; W396-H464 AromaticContact CH2-CE1 3.69Å; W396-H464 AromaticContact CH2-ND1 3.57Å; W396-H464 AromaticContact CZ2-CE1 3.51Å; W396-H464 AromaticContact CZ2-ND1 3.57Å
397	L	92.7	Very high	90.7	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	125.1	167.5	178.8	64	0	0	0	109.1	V308 N309 E310 K399 H408 I410 I566 I575	V308-L397 HydrophobicContact CG2-CD1 4.49Å; V308-L397 WeakPolarHBondContact O-CA 3.31Å; N309-L397 WeakPolarHBondContact O-CD1 3.5Å; E310-L397 HydrophobicContact CG-CD1 4.32Å; L397-K399 HydrophobicContact CD2-CD 4.29Å; L397-K399 HydrophobicContact CD2-CG 4.09Å; L397-K399 HydrophobicContact CG-CG 4.02Å; L397-H408 HydrophobicContact CB-CB 4.41Å; L397-H408 PolarHBondContact N-O 2.83Å; L397-H408 PolarHBondContact O-N 2.9Å; L397-I410 HydrophobicContact CB-CD1 3.96Å; L397-I410 HydrophobicContact CB-CG1 4.11Å; L397-I410 HydrophobicContact CB-CG2 3.61Å; L397-I410 HydrophobicContact CD2-CG2 4.04Å; L397-I566 HydrophobicContact CD1-CD1 4.16Å; L397-I575 HydrophobicContact CD2-CD1 3.66Å
398	V	93.3	Very high	90.5	Very high	11 Å²	11	49.1 Å²	49.1	7%	0.067	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	115.3	174.3	-171.4	0	0	0	0	108.4	Y307 V308 I315 M318 E405 E406 L407	Y307-V398 HydrophobicContact CD1-CG2 4.04Å; V308-V398 PolarHBondContact O-N 2.76Å; I315-V398 HydrophobicContact CD1-CB 3.53Å; I315-V398 HydrophobicContact CD1-CG1 4.13Å; I315-V398 HydrophobicContact CD1-CG2 3.5Å; I315-V398 VanDerWaalsContact CD1-CG2 3.5Å; M318-V398 HydrophobicContact CE-CG2 4.25Å; M318-V398 HydrophobicContact SD-CG1 4.47Å; M318-V398 HydrophobicContact SD-CG2 4.03Å; V398-E405 HydrophobicContact CG1-CB 4.39Å; V398-E405 HydrophobicContact CG1-CG 4.31Å; V398-E406 WeakPolarHBondContact CA-O 3.27Å; V398-L407 HydrophobicContact CB-CD2 4.32Å; V398-L407 HydrophobicContact CG1-CD2 4.21Å; V398-L407 HydrophobicContact CG2-CD2 3.65Å
399	K	89.8	Confident	90.3	Very high	55 Å²	55	50.6 Å²	50.6	24%	0.239	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140.6	176.2	-68.7	-164.5	175.3	-169.6	0	110.7	E310 L397 V401 E406	E310-K399 HydrophobicContact CG-CG 4.25Å; L397-K399 HydrophobicContact CD2-CD 4.29Å; L397-K399 HydrophobicContact CD2-CG 4.09Å; L397-K399 HydrophobicContact CG-CG 4.02Å; K399-V401 HydrophobicContact CB-CG2 4.24Å; K399-E406 PolarHBondContact N-O 2.92Å; K399-E406 PolarHBondContact O-N 2.82Å
400	M	86.8	Confident	89.9	Confident	114 Å²	114	51 Å²	51	56%	0.562	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	105.7	169.9	-67.1	-57.2	-63.4	0	0	109.4	Q404 E405	M400-Q404 WeakPolarHBondContact CA-O 3.32Å; M400-E405 HydrophobicContact CE-CG 4.37Å; M400-E405 HydrophobicContact SD-CB 4.44Å; M400-E405 HydrophobicContact SD-CG 3.5Å; M400-E405 WeakPolarHBondContact SD-CG 3.15Å
401	V	86.4	Confident	89.6	Confident	50 Å²	50	51.2 Å²	51.2	30%	0.303	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	118.5	178.1	-176.3	0	0	0	0	108.3	K399 G403 Q404 E406	K399-V401 HydrophobicContact CB-CG2 4.24Å; V401-G403 PolarHBondContact O-N 3.37Å; V401-G403 VanDerWaalsContact O-N 3.07Å; V401-Q404 PolarHBondContact N-O 2.83Å; V401-Q404 PolarHBondContact O-N 2.84Å; V401-E406 HydrophobicContact CB-CG 4.26Å; V401-E406 HydrophobicContact CG2-CG 4.19Å
402	N	87.3	Confident	89.4	Confident	166 Å²	166	52.6 Å²	52.6	89%	0.888	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	30.3	-178.4	-56.8	-35.1	0	0	0	114.3	Q404	N402-Q404 VanDerWaalsContact C-N 3.34Å
403	G	83	Confident	89.2	Confident	64 Å²	64	54.4 Å²	54.4	66%	0.66	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	5.5	-177.5	0	0	0	0	0	115.2	V401	V401-G403 PolarHBondContact O-N 3.37Å; V401-G403 VanDerWaalsContact O-N 3.07Å
404	Q	86.5	Confident	89.2	Confident	148 Å²	148	55.3 Å²	55.3	69%	0.692	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	147.4	172.2	-67.5	-170.4	-27	0	0	111.5	M400 V401 N402	M400-Q404 WeakPolarHBondContact CA-O 3.32Å; V401-Q404 PolarHBondContact N-O 2.83Å; V401-Q404 PolarHBondContact O-N 2.84Å; N402-Q404 VanDerWaalsContact C-N 3.34Å
405	E	89.5	Confident	89.1	Confident	126 Å²	126	58.5 Å²	58.5	59%	0.589	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	122.8	175.2	-70.4	175.5	175.1	0	0	110.1	V398 M400	V398-E405 HydrophobicContact CG1-CB 4.39Å; V398-E405 HydrophobicContact CG1-CG 4.31Å; M400-E405 HydrophobicContact CE-CG 4.37Å; M400-E405 HydrophobicContact SD-CB 4.44Å; M400-E405 HydrophobicContact SD-CG 3.5Å; M400-E405 WeakPolarHBondContact SD-CG 3.15Å
406	E	91.3	Very high	89	Confident	82 Å²	82	59.2 Å²	59.2	38%	0.383	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134.5	169.2	-66.4	-173.9	-178	0	0	110.5	V398 K399 V401 H408	V398-E406 WeakPolarHBondContact CA-O 3.27Å; K399-E406 PolarHBondContact N-O 2.92Å; K399-E406 PolarHBondContact O-N 2.82Å; V401-E406 HydrophobicContact CB-CG 4.26Å; V401-E406 HydrophobicContact CG2-CG 4.19Å; E406-H408 IonicContact OE2-CE1 2.61Å; E406-H408 IonicContact OE2-NE2 2.75Å; E406-H408 PolarHBondContact OE2-NE2 2.92Å; E406-H408 VanDerWaalsContact OE2-NE2 3.07Å
407	L	90.9	Very high	89	Confident	80 Å²	80	58 Å²	58	42%	0.419	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.3	-178.7	-60.5	179.5	0	0	0	111	Y307 M318 W396 V398	Y307-L407 HydrophobicContact CD1-CD2 4.07Å; Y307-L407 HydrophobicContact CE1-CD1 4.24Å; Y307-L407 HydrophobicContact CE1-CD2 4.14Å; M318-L407 HydrophobicContact CE-CD2 3.81Å; W396-L407 HydrophobicContact CE3-CB 3.9Å; W396-L407 HydrophobicContact CZ3-CB 4.17Å; V398-L407 HydrophobicContact CB-CD2 4.32Å; V398-L407 HydrophobicContact CG1-CD2 4.21Å; V398-L407 HydrophobicContact CG2-CD2 3.65Å
408	H	90.2	Very high	89.1	Confident	77 Å²	77	57.9 Å²	57.9	36%	0.356	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	120.9	-178.1	-64.8	-87.6	0	0	0	110.6	W396 L397 E406 I410	W396-H408 CarbonylContact C-O 3.48Å; W396-H408 WeakPolarHBondContact CA-O 3.31Å; L397-H408 HydrophobicContact CB-CB 4.41Å; L397-H408 PolarHBondContact N-O 2.83Å; L397-H408 PolarHBondContact O-N 2.9Å; E406-H408 IonicContact OE2-CE1 2.61Å; E406-H408 IonicContact OE2-NE2 2.75Å; E406-H408 PolarHBondContact OE2-NE2 2.92Å; E406-H408 VanDerWaalsContact OE2-NE2 3.07Å; H408-I410 HydrophobicContact CB-CG2 4.46Å; H408-I410 PolarHBondContact O-N 2.81Å; H408-I410 VanDerWaalsContact O-N 3.15Å
409	I	89.7	Confident	89.2	Confident	31 Å²	31	60.6 Å²	60.6	16%	0.159	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	111.5	171.3	-56.3	178.8	0	0	0	108.4	W396 H464 P467	W396-I409 HydrophobicContact CD2-CG1 3.83Å; W396-I409 HydrophobicContact CE3-CG1 3.51Å; W396-I409 HydrophobicContact CH2-CD1 3.5Å; W396-I409 VanDerWaalsContact CH2-CD1 3.5Å; W396-I409 HydrophobicContact CH2-CG1 3.37Å; W396-I409 HydrophobicContact CZ2-CD1 3.69Å; W396-I409 HydrophobicContact CZ2-CG1 3.65Å; W396-I409 HydrophobicContact CZ3-CD1 3.95Å; W396-I409 HydrophobicContact CZ3-CG1 3.29Å; I409-H464 HydrophobicContact CD1-CB 3.82Å; I409-P467 HydrophobicContact CG2-CG 4.41Å
410	I	88.8	Confident	89.6	Confident	9 Å²	9	60.6 Å²	60.6	5%	0.046	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-19.2	-179.6	57.1	161.9	0	0	0	112.8	V308 I395 L397 H408 K469 I566 I575 A577	V308-I410 HydrophobicContact CG2-CD1 4.36Å; I395-I410 HydrophobicContact CB-CG1 4.36Å; I395-I410 HydrophobicContact CG2-CD1 4.14Å; I395-I410 HydrophobicContact CG2-CG1 4.03Å; I395-I410 VanDerWaalsContact O-CG1 3.29Å; I395-I410 WeakPolarHBondContact O-CG1 3.19Å; I395-I410 PolarHBondContact O-N 3.05Å; L397-I410 HydrophobicContact CB-CD1 3.96Å; L397-I410 HydrophobicContact CB-CG1 4.11Å; L397-I410 HydrophobicContact CB-CG2 3.61Å; L397-I410 HydrophobicContact CD2-CG2 4.04Å; H408-I410 HydrophobicContact CB-CG2 4.46Å; H408-I410 PolarHBondContact O-N 2.81Å; H408-I410 VanDerWaalsContact O-N 3.15Å; I410-K469 PolarHBondContact O-NZ 3.44Å; I410-I566 HydrophobicContact CD1-CD1 4.49Å; I410-I575 HydrophobicContact CB-CG2 4.13Å; I410-I575 HydrophobicContact CD1-CG2 4.03Å; I410-I575 HydrophobicContact CG2-CB 4.09Å; I410-I575 HydrophobicContact CG2-CG2 3.95Å; I410-A577 HydrophobicContact CD1-CB 3.45Å; I410-A577 VanDerWaalsContact CD1-CB 3.45Å; I410-A577 HydrophobicContact CG1-CB 4.21Å
411	S	87.9	Confident	90.1	Very high	20 Å²	20	55.1 Å²	55.1	14%	0.14	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	148.5	174.8	-156	0	0	0	0	111.9	I395 A577	I395-S411 PolarHBondContact N-O 3.37Å; I395-S411 PolarHBondContact O-N 3.29Å; S411-A577 WeakPolarHBondContact CB-O 3.37Å; S411-A577 PolarHBondContact OG-O 2.91Å
412	M	87.9	Confident	90.7	Very high	31 Å²	31	52.8 Å²	52.8	15%	0.153	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	116.3	171.1	176.1	175.6	-160.3	0	0	108	D392 R393 L394 T414 R466	D392-M412 HydrophobicContact CB-CE 3.88Å; D392-M412 WeakPolarHBondContact OD2-CE 3.39Å; R393-M412 CarbonylContact O-C 3.54Å; R393-M412 WeakPolarHBondContact O-CA 3.46Å; L394-M412 HydrophobicContact CD2-CB 3.87Å; L394-M412 HydrophobicContact CD2-CE 4.09Å; L394-M412 HydrophobicContact CD2-CG 3.6Å; L394-M412 HydrophobicContact CD2-SD 4.04Å; M412-T414 HydrophobicContact CE-CG2 4.12Å; M412-T414 HydrophobicContact CG-CG2 4.12Å; M412-T414 HydrophobicContact SD-CG2 4.5Å; M412-R466 HydrophobicContact CB-CG 4.36Å; M412-R466 HydrophobicContact CG-CG 4.36Å; M412-R466 HydrophobicContact SD-CG 3.39Å; M412-R466 WeakPolarHBondContact SD-CG 3.49Å
413	E	87.9	Confident	91.3	Very high	38 Å²	38	45 Å²	45	18%	0.178	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	115.6	-179.2	-56.4	175.7	168.1	0	0	109.1	R393 S416	R393-E413 HydrophobicContact CB-CB 4.25Å; R393-E413 WeakPolarHBondContact CD-OE2 3.41Å; R393-E413 PolarHBondContact N-O 2.97Å; R393-E413 IonicContact NH1-OE2 2.9Å; R393-E413 PolarHBondContact O-N 3.46Å; E413-S416 WeakPolarHBondContact CB-OG 3.41Å; E413-S416 VanDerWaalsContact OE2-CB 3.23Å; E413-S416 WeakPolarHBondContact OE2-CB 3.43Å; E413-S416 PolarHBondContact OE2-OG 2.83Å; E413-S416 VanDerWaalsContact OE2-OG 3.09Å
414	T	89.3	Confident	92	Very high	27 Å²	27	42.4 Å²	42.4	17%	0.166	21%	0.213	C	C	.	.	S	Bend	trans	-102.5	3.6	-176.3	64.8	0	0	0	0	113.5	D392 M412 R466	D392-T414 WeakPolarHBondContact OD1-CA 3.16Å; D392-T414 WeakPolarHBondContact OD1-CB 3.4Å; D392-T414 WeakPolarHBondContact OD1-CG2 3.5Å; M412-T414 HydrophobicContact CE-CG2 4.12Å; M412-T414 HydrophobicContact CG-CG2 4.12Å; M412-T414 HydrophobicContact SD-CG2 4.5Å; T414-R466 PolarHBondContact OG1-NH2 2.7Å
415	T	89	Confident	92.6	Very high	69 Å²	69	35.5 Å²	35.5	42%	0.423	18%	0.181	S	C	.	.	S	Bend	trans	-132.7	15.6	-176.5	71.7	0	0	0	0	111.7	K419 E442	T415-K419 WeakPolarHBondContact O-CE 3.43Å; T415-E442 WeakPolarHBondContact CA-OE2 3.13Å; T415-E442 WeakPolarHBondContact CB-OE2 3.33Å; T415-E442 HydrophobicContact CG2-CB 4.16Å; T415-E442 WeakPolarHBondContact CG2-OE2 3.45Å
416	S	88.2	Confident	93	Very high	14 Å²	14	31.2 Å²	31.2	10%	0.098	16%	0.163	C	C	.	.	S	Bend	trans	-91.8	-22.4	-172.9	56.6	0	0	0	0	113.6	D293 E413 K419	D293-S416 WeakPolarHBondContact CB-O 3.4Å; E413-S416 WeakPolarHBondContact CB-OG 3.41Å; E413-S416 VanDerWaalsContact OE2-CB 3.23Å; E413-S416 WeakPolarHBondContact OE2-CB 3.43Å; E413-S416 PolarHBondContact OE2-OG 2.83Å; E413-S416 VanDerWaalsContact OE2-OG 3.09Å; S416-K419 VanDerWaalsContact O-CE 3.24Å; S416-K419 WeakPolarHBondContact O-CE 3.35Å; S416-K419 PolarHBondContact O-NZ 3.33Å
417	I	93.6	Very high	93.2	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.015	18%	0.177	C	C	.	.	S	Bend	trans	-96.6	149.9	-175.1	-61.1	-55.1	0	0	0	112.3	D293 A295 V323 E388 G391 K439	D293-I417 CarbonylContact O-C 3.51Å; D293-I417 VanDerWaalsContact O-CA 3.27Å; D293-I417 WeakPolarHBondContact O-CA 3.41Å; D293-I417 WeakPolarHBondContact O-CD1 3.15Å; D293-I417 WeakPolarHBondContact O-CG2 3.34Å; A295-I417 HydrophobicContact CB-CD1 4.18Å; A295-I417 HydrophobicContact CB-CG1 4.34Å; A295-I417 HydrophobicContact CB-CG2 3.69Å; V323-I417 HydrophobicContact CB-CD1 4.27Å; V323-I417 HydrophobicContact CG1-CD1 3.65Å; V323-I417 HydrophobicContact CG2-CD1 3.56Å; E388-I417 WeakPolarHBondContact O-CG2 3.44Å; G391-I417 WeakPolarHBondContact O-CB 3.34Å; G391-I417 WeakPolarHBondContact O-CG1 3.4Å; I417-K439 PolarHBondContact O-NZ 3.35Å
418	G	94.9	Very high	93.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	66.4	48.7	167.7	0	0	0	0	0	114.5	F292 D293 K439	F292-G418 CarbonylContact O-C 3.57Å; F292-G418 WeakPolarHBondContact O-CA 3.41Å; F292-G418 PolarHBondContact O-N 2.51Å; D293-G418 PolarHBondContact O-N 3.07Å; G418-K439 WeakPolarHBondContact O-CE 3.27Å; G418-K439 PolarHBondContact O-NZ 3.29Å
419	K	95.3	Very high	93.2	Very high	69 Å²	69	30.3 Å²	30.3	30%	0.3	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	154	-178.2	-60.8	-170	-169.2	124.1	0	112.4	A171 F292 D293 T415 S416 I421	A171-K419 HydrophobicContact CB-CB 4.04Å; A171-K419 HydrophobicContact CB-CD 4.21Å; F292-K419 HydrophobicContact CB-CB 4.44Å; F292-K419 WeakPolarHBondContact CB-O 3.46Å; F292-K419 PolarHBondContact N-O 3.47Å; F292-K419 PolarHBondContact O-N 3.03Å; D293-K419 WeakPolarHBondContact OD2-CD 3.16Å; D293-K419 IonicContact OD2-NZ 3.39Å; D293-K419 PolarHBondContact OD2-NZ 3.5Å; T415-K419 WeakPolarHBondContact O-CE 3.43Å; S416-K419 VanDerWaalsContact O-CE 3.24Å; S416-K419 WeakPolarHBondContact O-CE 3.35Å; S416-K419 PolarHBondContact O-NZ 3.33Å; K419-I421 PolarHBondContact O-N 3.31Å; K419-I421 VanDerWaalsContact O-N 3.1Å
420	N	97.1	Very high	93.5	Very high	54 Å²	54	35.1 Å²	35.1	29%	0.289	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	45.2	47.3	168.5	-63	-23.2	0	0	0	112.9	A171 I174 F292 S422	A171-N420 PolarHBondContact O-ND2 3.29Å; I174-N420 HydrophobicContact CD1-CB 3.88Å; F292-N420 HydrophobicContact CD2-CB 3.88Å; F292-N420 WeakPolarHBondContact CD2-O 3.35Å; F292-N420 HydrophobicContact CE2-CB 4.45Å; N420-S422 WeakPolarHBondContact O-CB 3.12Å; N420-S422 PolarHBondContact O-N 3.46Å; N420-S422 VanDerWaalsContact O-N 3.08Å; N420-S422 PolarHBondContact O-OG 2.74Å
421	I	98.6	Very high	93.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	119.6	-177.6	-54	175.5	0	0	0	107.5	V289 T290 A291 V389 K419 I434 T435 Y438	V289-I421 HydrophobicContact CG1-CG2 3.42Å; V289-I421 VanDerWaalsContact CG1-CG2 3.42Å; T290-I421 CarbonylContact O-C 3.52Å; T290-I421 VanDerWaalsContact O-CA 3.24Å; T290-I421 WeakPolarHBondContact O-CA 3.31Å; A291-I421 HydrophobicContact CB-CG1 4.01Å; V389-I421 HydrophobicContact CB-CD1 4.18Å; V389-I421 HydrophobicContact CG1-CD1 3.89Å; K419-I421 PolarHBondContact O-N 3.31Å; K419-I421 VanDerWaalsContact O-N 3.1Å; I421-I434 HydrophobicContact CB-CG1 4.42Å; I421-I434 HydrophobicContact CG2-CD1 4.28Å; I421-I434 HydrophobicContact CG2-CG1 3.98Å; I421-I434 WeakPolarHBondContact O-CG1 3.23Å; I421-I434 PolarHBondContact O-N 2.79Å; I421-T435 HydrophobicContact CD1-CG2 4.36Å; I421-T435 HydrophobicContact CG1-CG2 4.33Å; I421-T435 PolarHBondContact N-OG1 2.83Å; I421-T435 PolarHBondContact O-N 2.87Å; I421-Y438 HydrophobicContact CD1-CD1 4.29Å; I421-Y438 HydrophobicContact CD1-CD2 4.04Å; I421-Y438 HydrophobicContact CD1-CG 3.69Å; I421-Y438 HydrophobicContact CG2-CD2 3.93Å; I421-Y438 HydrophobicContact CG2-CE2 4Å
422	S	98.7	Very high	94.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	139.3	-159.6	-69	0	0	0	0	111.8	V289 T290 N420 R431 R432	V289-S422 WeakPolarHBondContact CA-O 3.21Å; T290-S422 PolarHBondContact N-O 3.03Å; T290-S422 PolarHBondContact O-N 2.87Å; N420-S422 WeakPolarHBondContact O-CB 3.12Å; N420-S422 PolarHBondContact O-N 3.46Å; N420-S422 VanDerWaalsContact O-N 3.08Å; N420-S422 PolarHBondContact O-OG 2.74Å; S422-R431 WeakPolarHBondContact OG-CD 3.24Å; S422-R431 PolarHBondContact OG-NH1 3.48Å; S422-R432 WeakPolarHBondContact CA-O 3.13Å
423	T	98.7	Very high	94.9	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.025	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	167.8	168.3	-165.9	0	0	0	0	110.2	Y167 S288 R432 I434	Y167-T423 VanDerWaalsContact CE2-C 3.48Å; Y167-T423 WeakPolarHBondContact CE2-O 3.39Å; S288-T423 WeakPolarHBondContact O-CB 3.4Å; S288-T423 PolarHBondContact O-OG1 2.95Å; T423-R432 HydrophobicContact CG2-CB 4.29Å; T423-R432 PolarHBondContact N-O 2.99Å; T423-R432 PolarHBondContact O-N 3.44Å; T423-I434 HydrophobicContact CG2-CD1 3.97Å; T423-I434 HydrophobicContact CG2-CG1 4.4Å; T423-I434 HydrophobicContact CG2-CG2 3.94Å
424	K	98.3	Very high	95.4	Very high	9 Å²	9	40.3 Å²	40.3	4%	0.039	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	136.1	175.8	-175.1	-179.1	163.5	-65.2	0	109.4	E157 Q428 D429	E157-K424 WeakPolarHBondContact OE1-CD 3.39Å; E157-K424 IonicContact OE1-NZ 3.6Å; E157-K424 PolarHBondContact OE1-NZ 2.95Å; E157-K424 IonicContact OE2-NZ 3.03Å; E157-K424 PolarHBondContact OE2-NZ 2.95Å; K424-Q428 WeakPolarHBondContact CE-O 3.33Å; K424-Q428 WeakPolarHBondContact CG-O 3.1Å; K424-Q428 PolarHBondContact NZ-O 3.23Å; K424-D429 WeakPolarHBondContact CE-OD1 3.4Å; K424-D429 IonicContact NZ-OD1 2.99Å
425	A	98.2	Very high	95.8	Very high	3 Å²	3	40.3 Å²	40.3	3%	0.025	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-68.1	145.9	173.9	0	0	0	0	0	112	G427 Q428 R430 R432	A425-G427 PolarHBondContact O-N 3.17Å; A425-Q428 HydrophobicContact CB-CB 4.13Å; A425-Q428 PolarHBondContact O-N 2.95Å; A425-Q428 VanDerWaalsContact O-N 3.13Å; A425-R430 HydrophobicContact CB-CG 3.77Å; A425-R430 WeakPolarHBondContact CB-O 3.25Å; A425-R430 PolarHBondContact N-O 2.95Å; A425-R432 HydrophobicContact CB-CB 4.14Å
426	V	98.4	Very high	96.3	Very high	36 Å²	36	42.3 Å²	42.3	22%	0.218	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	122	176.3	177.3	0	0	0	0	110	D153 E154 E157 Y158 Q428	D153-V426 HydrophobicContact CB-CG1 3.83Å; D153-V426 WeakPolarHBondContact O-CG1 3.3Å; E154-V426 HydrophobicContact CG-CG2 4.16Å; E157-V426 HydrophobicContact CB-CB 4.44Å; E157-V426 HydrophobicContact CB-CG1 4.06Å; E157-V426 HydrophobicContact CB-CG2 4.41Å; E157-V426 HydrophobicContact CG-CG2 4.44Å; Y158-V426 HydrophobicContact CE2-CG2 4.13Å; Y158-V426 VanDerWaalsContact OH-CG2 3.29Å; Y158-V426 WeakPolarHBondContact OH-CG2 3.38Å; V426-Q428 PolarHBondContact O-N 3.17Å; V426-Q428 VanDerWaalsContact O-N 3.09Å
427	G	95.1	Very high	96.7	Very high	65 Å²	65	43 Å²	43	67%	0.67	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.6	5.1	177.7	0	0	0	0	0	115.6	E157 A425	E157-G427 PolarHBondContact OE2-N 3.46Å; A425-G427 PolarHBondContact O-N 3.17Å
428	Q	93.2	Very high	97	Very high	97 Å²	97	42.9 Å²	42.9	45%	0.453	21%	0.211	S	C	.	.	S	Bend	trans	-135.5	135.5	-173.3	-60.9	175.7	53	0	0	111.2	K424 A425 V426 R430	K424-Q428 WeakPolarHBondContact CE-O 3.33Å; K424-Q428 WeakPolarHBondContact CG-O 3.1Å; K424-Q428 PolarHBondContact NZ-O 3.23Å; A425-Q428 HydrophobicContact CB-CB 4.13Å; A425-Q428 PolarHBondContact O-N 2.95Å; A425-Q428 VanDerWaalsContact O-N 3.13Å; V426-Q428 PolarHBondContact O-N 3.17Å; V426-Q428 VanDerWaalsContact O-N 3.09Å; Q428-R430 HydrophobicContact CB-CG 3.94Å; Q428-R430 PolarHBondContact O-N 3.03Å
429	D	88.9	Confident	97.1	Very high	58 Å²	58	43 Å²	43	31%	0.31	21%	0.212	S	C	.	.	S	Bend	trans	-80.7	52.8	174.6	-72.7	-17.4	0	0	0	110.9	K424 K661 Q677	K424-D429 WeakPolarHBondContact CE-OD1 3.4Å; K424-D429 IonicContact NZ-OD1 2.99Å; D429-K661 VanDerWaalsContact CG-NZ 3.28Å; D429-K661 IonicContact OD1-NZ 2.69Å; D429-K661 PolarHBondContact OD1-NZ 3.15Å; D429-K661 WeakPolarHBondContact OD2-CE 3.26Å; D429-K661 IonicContact OD2-NZ 3.53Å; D429-K661 PolarHBondContact OD2-NZ 3.33Å; D429-Q677 PolarHBondContact OD2-NE2 3.27Å
430	R	94.9	Very high	97.2	Very high	132 Å²	132	42.8 Å²	42.8	50%	0.498	21%	0.209	S	C	.	.	S	Bend	trans	-133.5	156.8	176.5	72.1	175	175.5	84.9	1.2	111.4	Y167 A425 Q428	Y167-R430 PolarHBondContact OH-O 2.85Å; Y167-R430 VanDerWaalsContact OH-O 3.12Å; A425-R430 HydrophobicContact CB-CG 3.77Å; A425-R430 WeakPolarHBondContact CB-O 3.25Å; A425-R430 PolarHBondContact N-O 2.95Å; Q428-R430 HydrophobicContact CB-CG 3.94Å; Q428-R430 PolarHBondContact O-N 3.03Å
431	R	97.3	Very high	97.2	Very high	87 Å²	87	44.6 Å²	44.6	33%	0.328	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	134	177.3	-162.9	-179.2	78.5	85.1	-2	110.8	Y167 S422 D433	Y167-R431 HydrophobicContact CD1-CB 4.31Å; Y167-R431 HydrophobicContact CD1-CG 4.03Å; Y167-R431 HydrophobicContact CD2-CG 4.33Å; Y167-R431 HydrophobicContact CE1-CB 3.62Å; Y167-R431 HydrophobicContact CE1-CG 3.8Å; Y167-R431 HydrophobicContact CE2-CB 4.42Å; Y167-R431 HydrophobicContact CE2-CG 4.12Å; Y167-R431 HydrophobicContact CG-CG 4.31Å; Y167-R431 VanDerWaalsContact CZ-CA 3.46Å; Y167-R431 WeakPolarHBondContact OH-CA 3.42Å; Y167-R431 PolarHBondContact OH-N 3.35Å; S422-R431 WeakPolarHBondContact OG-CD 3.24Å; S422-R431 PolarHBondContact OG-NH1 3.48Å; R431-D433 IonicContact CZ-OD2 3.55Å; R431-D433 IonicContact NH1-OD2 2.73Å; R431-D433 PolarHBondContact NH1-OD2 2.95Å; R431-D433 IonicContact NH2-OD2 2.73Å; R431-D433 PolarHBondContact NH2-OD2 2.99Å
432	R	98.2	Very high	96.9	Very high	67 Å²	67	48.1 Å²	48.1	25%	0.253	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.2	161.6	179.9	-176.4	172.5	178.2	-3.1	107.7	S422 T423 A425 I434 Y436 E437	S422-R432 WeakPolarHBondContact CA-O 3.13Å; T423-R432 HydrophobicContact CG2-CB 4.29Å; T423-R432 PolarHBondContact N-O 2.99Å; T423-R432 PolarHBondContact O-N 3.44Å; A425-R432 HydrophobicContact CB-CB 4.14Å; R432-I434 HydrophobicContact CG-CG2 3.98Å; R432-Y436 PolarHBondContact NH2-OH 2.8Å; R432-E437 IonicContact NH2-OE1 2.74Å; R432-E437 PolarHBondContact NH2-OE1 3.41Å
433	D	98.4	Very high	96.5	Very high	53 Å²	53	51.3 Å²	51.3	28%	0.283	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	127.8	170	-156.9	-62.7	0	0	0	109.5	R431 T435	R431-D433 IonicContact CZ-OD2 3.55Å; R431-D433 IonicContact NH1-OD2 2.73Å; R431-D433 PolarHBondContact NH1-OD2 2.95Å; R431-D433 IonicContact NH2-OD2 2.73Å; R431-D433 PolarHBondContact NH2-OD2 2.99Å; D433-T435 VanDerWaalsContact OD1-CB 3.27Å; D433-T435 WeakPolarHBondContact OD1-CB 3.27Å; D433-T435 PolarHBondContact OD1-N 2.95Å; D433-T435 PolarHBondContact OD1-OG1 3.48Å
434	I	98.7	Very high	96.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.279	C	S	.	.			trans	-126.5	20	179.7	58.3	166.6	0	0	0	111.2	R287 V289 I421 T423 R432 Y436 E437 Y438	R287-I434 VanDerWaalsContact NH2-CD1 3.35Å; V289-I434 HydrophobicContact CG1-CD1 4.05Å; V289-I434 HydrophobicContact CG2-CD1 3.92Å; I421-I434 HydrophobicContact CB-CG1 4.42Å; I421-I434 HydrophobicContact CG2-CD1 4.28Å; I421-I434 HydrophobicContact CG2-CG1 3.98Å; I421-I434 WeakPolarHBondContact O-CG1 3.23Å; I421-I434 PolarHBondContact O-N 2.79Å; T423-I434 HydrophobicContact CG2-CD1 3.97Å; T423-I434 HydrophobicContact CG2-CG1 4.4Å; T423-I434 HydrophobicContact CG2-CG2 3.94Å; R432-I434 HydrophobicContact CG-CG2 3.98Å; I434-Y436 PolarHBondContact O-N 2.98Å; I434-Y436 VanDerWaalsContact O-N 3.16Å; I434-E437 HydrophobicContact CB-CB 4.48Å; I434-E437 HydrophobicContact CB-CG 4.14Å; I434-E437 WeakPolarHBondContact O-CB 3.48Å; I434-E437 PolarHBondContact O-N 2.8Å; I434-Y438 HydrophobicContact CD1-CE2 4.21Å
435	T	98.6	Very high	96.2	Very high	27 Å²	27	55.7 Å²	55.7	17%	0.166	30%	0.303	C	S	.	.	H	α-helix	trans	-54.2	-37.8	178.7	-49.7	0	0	0	0	111.7	I421 D433 E437 Y438 K439	I421-T435 HydrophobicContact CD1-CG2 4.36Å; I421-T435 HydrophobicContact CG1-CG2 4.33Å; I421-T435 PolarHBondContact N-OG1 2.83Å; I421-T435 PolarHBondContact O-N 2.87Å; D433-T435 VanDerWaalsContact OD1-CB 3.27Å; D433-T435 WeakPolarHBondContact OD1-CB 3.27Å; D433-T435 PolarHBondContact OD1-N 2.95Å; D433-T435 PolarHBondContact OD1-OG1 3.48Å; T435-E437 PolarHBondContact O-N 2.89Å; T435-Y438 PolarHBondContact O-N 2.86Å; T435-K439 HydrophobicContact CG2-CG 4.07Å; T435-K439 PolarHBondContact O-N 3.09Å
436	Y	98.2	Very high	96.1	Very high	110 Å²	110	59.7 Å²	59.7	43%	0.431	32%	0.321	S	S	.	.	H	α-helix	trans	-63	-21.1	177	72.9	-91.5	0	0	0	113.5	R372 R432 I434 Y438 K439	R372-Y436 WeakPolarHBondContact CD-O 3.37Å; R372-Y436 PolarHBondContact NE-O 2.85Å; R372-Y436 PolarHBondContact NH1-O 2.97Å; R432-Y436 PolarHBondContact NH2-OH 2.8Å; I434-Y436 PolarHBondContact O-N 2.98Å; I434-Y436 VanDerWaalsContact O-N 3.16Å; Y436-Y438 VanDerWaalsContact C-N 3.29Å; Y436-K439 WeakPolarHBondContact CA-O 3.41Å
437	E	98.6	Very high	96	Very high	29 Å²	29	58.6 Å²	58.6	14%	0.136	31%	0.314	C	S	.	.	H	α-helix	trans	-75.6	-24.3	177	-59.4	-175.8	-172.9	0	0	111.4	R287 L368 R432 I434 T435	R287-E437 IonicContact CZ-OE2 3.43Å; R287-E437 IonicContact NH1-OE2 3.61Å; R287-E437 IonicContact NH2-OE2 2.66Å; R287-E437 PolarHBondContact NH2-OE2 3.23Å; L368-E437 HydrophobicContact CD2-CB 4.05Å; R432-E437 IonicContact NH2-OE1 2.74Å; R432-E437 PolarHBondContact NH2-OE1 3.41Å; I434-E437 HydrophobicContact CB-CB 4.48Å; I434-E437 HydrophobicContact CB-CG 4.14Å; I434-E437 WeakPolarHBondContact O-CB 3.48Å; I434-E437 PolarHBondContact O-N 2.8Å; T435-E437 PolarHBondContact O-N 2.89Å
438	Y	98.6	Very high	95.9	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-100.7	-32.3	-176.3	-82.5	-95.9	0	0	0	114	V289 W329 D331 A348 L368 I371 R372 V389 I421 I434 T435 Y436	V289-Y438 HydrophobicContact CG1-CE2 4.43Å; W329-Y438 HydrophobicContact CZ2-CD1 4.38Å; W329-Y438 AromaticContact CZ2-CE1 3.59Å; W329-Y438 HydrophobicContact CZ2-CE1 3.59Å; W329-Y438 AromaticContact CZ2-CZ 3.68Å; W329-Y438 AromaticContact NE1-CZ 3.83Å; W329-Y438 PolarHBondContact NE1-OH 2.97Å; D331-Y438 PolarHBondContact OD1-OH 2.73Å; A348-Y438 HydrophobicContact CB-CE1 4.43Å; L368-Y438 HydrophobicContact CD1-CE1 4.26Å; L368-Y438 HydrophobicContact CD1-CE2 4.41Å; L368-Y438 HydrophobicContact CD2-CD2 3.98Å; L368-Y438 HydrophobicContact CD2-CE2 3.39Å; L368-Y438 HydrophobicContact CG-CD1 4.47Å; L368-Y438 HydrophobicContact CG-CD2 4.26Å; L368-Y438 HydrophobicContact CG-CE1 4.01Å; L368-Y438 HydrophobicContact CG-CE2 3.77Å; I371-Y438 HydrophobicContact CD1-CD1 4.33Å; I371-Y438 HydrophobicContact CD1-CE1 4.1Å; I371-Y438 HydrophobicContact CG2-CD1 4.14Å; R372-Y438 WeakPolarHBondContact CA-O 3.41Å; R372-Y438 PolarHBondContact N-O 3.32Å; V389-Y438 HydrophobicContact CG1-CD1 4.38Å; V389-Y438 HydrophobicContact CG2-CD1 4.36Å; I421-Y438 HydrophobicContact CD1-CD1 4.29Å; I421-Y438 HydrophobicContact CD1-CD2 4.04Å; I421-Y438 HydrophobicContact CD1-CG 3.69Å; I421-Y438 HydrophobicContact CG2-CD2 3.93Å; I421-Y438 HydrophobicContact CG2-CE2 4Å; I434-Y438 HydrophobicContact CD1-CE2 4.21Å; T435-Y438 PolarHBondContact O-N 2.86Å; Y436-Y438 VanDerWaalsContact C-N 3.29Å
439	K	97.9	Very high	96	Very high	4 Å²	4	59 Å²	59	2%	0.017	30%	0.296	C	S	.	.	S	Bend	trans	-154.5	164.2	-177.2	61.5	178.5	176.9	-178.3	0	113.2	V389 N390 I417 G418 T435 Y436 E442	V389-K439 PolarHBondContact O-NZ 2.98Å; N390-K439 VanDerWaalsContact OD1-CB 3.32Å; N390-K439 WeakPolarHBondContact OD1-CB 3.33Å; N390-K439 VanDerWaalsContact OD1-CD 3.31Å; N390-K439 WeakPolarHBondContact OD1-CD 3.23Å; I417-K439 PolarHBondContact O-NZ 3.35Å; G418-K439 WeakPolarHBondContact O-CE 3.27Å; G418-K439 PolarHBondContact O-NZ 3.29Å; T435-K439 HydrophobicContact CG2-CG 4.07Å; T435-K439 PolarHBondContact O-N 3.09Å; Y436-K439 WeakPolarHBondContact CA-O 3.41Å; K439-E442 VanDerWaalsContact CE-OE1 3.28Å; K439-E442 WeakPolarHBondContact CE-OE1 3.25Å; K439-E442 IonicContact NZ-OE1 3.79Å; K439-E442 PolarHBondContact NZ-OE1 3.32Å
440	Y	97.8	Very high	96.4	Very high	64 Å²	64	57.1 Å²	57.1	25%	0.251	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-74.7	160.7	172.2	-68.2	-82.8	0	0	0	111	R372 E442 E446 V450	R372-Y440 HydrophobicContact CG-CD2 4.35Å; R372-Y440 HydrophobicContact CG-CE2 4.02Å; R372-Y440 WeakPolarHBondContact O-CE2 3.39Å; Y440-E442 PolarHBondContact O-N 2.91Å; Y440-E446 HydrophobicContact CD1-CB 3.8Å; Y440-E446 HydrophobicContact CD1-CG 4.39Å; Y440-E446 HydrophobicContact CD2-CB 4.21Å; Y440-E446 HydrophobicContact CE1-CB 4.27Å; Y440-E446 HydrophobicContact CG-CB 3.76Å; Y440-V450 HydrophobicContact CD2-CG2 3.8Å; Y440-V450 HydrophobicContact CE2-CG2 3.64Å
441	P	96.4	Very high	96.3	Very high	92 Å²	92	51 Å²	51	60%	0.597	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-58.4	134.3	179.7	-24.2	35.1	0	0	0	112.4	G443 S444	P441-G443 PolarHBondContact O-N 2.9Å; P441-S444 VanDerWaalsContact O-CB 3.24Å; P441-S444 WeakPolarHBondContact O-CB 3.49Å; P441-S444 PolarHBondContact O-N 2.8Å; P441-S444 PolarHBondContact O-OG 2.83Å
442	E	92.8	Very high	96	Very high	73 Å²	73	50 Å²	50	34%	0.341	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	131.2	177.8	-66.7	-66.7	173	0	0	112.2	T415 K439 Y440 S444	T415-E442 WeakPolarHBondContact CA-OE2 3.13Å; T415-E442 WeakPolarHBondContact CB-OE2 3.33Å; T415-E442 HydrophobicContact CG2-CB 4.16Å; T415-E442 WeakPolarHBondContact CG2-OE2 3.45Å; K439-E442 VanDerWaalsContact CE-OE1 3.28Å; K439-E442 WeakPolarHBondContact CE-OE1 3.25Å; K439-E442 IonicContact NZ-OE1 3.79Å; K439-E442 PolarHBondContact NZ-OE1 3.32Å; Y440-E442 PolarHBondContact O-N 2.91Å; E442-S444 VanDerWaalsContact C-N 3.28Å; E442-S444 PolarHBondContact O-N 3.45Å
443	G	89.2	Confident	95.7	Very high	67 Å²	67	50 Å²	50	69%	0.691	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	3.2	-178.8	0	0	0	0	0	115.1	P441	P441-G443 PolarHBondContact O-N 2.9Å
444	S	94.9	Very high	95.5	Very high	21 Å²	21	47.5 Å²	47.5	15%	0.147	26%	0.255	C	S	.	.	S	Bend	trans	-78.1	153.6	171.3	97.5	0	0	0	0	111.4	P441 E442 E446 E447 R448	P441-S444 VanDerWaalsContact O-CB 3.24Å; P441-S444 WeakPolarHBondContact O-CB 3.49Å; P441-S444 PolarHBondContact O-N 2.8Å; P441-S444 PolarHBondContact O-OG 2.83Å; E442-S444 VanDerWaalsContact C-N 3.28Å; E442-S444 PolarHBondContact O-N 3.45Å; S444-E446 WeakPolarHBondContact CB-OE2 3.36Å; S444-E446 PolarHBondContact O-N 3.21Å; S444-E446 PolarHBondContact OG-N 2.85Å; S444-E446 PolarHBondContact OG-OE2 3.49Å; S444-E447 PolarHBondContact O-N 2.71Å; S444-E447 PolarHBondContact OG-N 3.33Å; S444-R448 PolarHBondContact O-N 3.11Å
445	P	95.5	Very high	95.1	Very high	85 Å²	85	48.6 Å²	48.6	55%	0.552	26%	0.259	S	S	*	.	H	α-helix	trans	-57.6	-34.6	174.4	-25.1	35.2	0	0	0	113.2	R448 Q449	P445-R448 PolarHBondContact O-N 2.84Å; P445-Q449 WeakPolarHBondContact O-CB 3.12Å; P445-Q449 WeakPolarHBondContact O-CG 3.46Å; P445-Q449 PolarHBondContact O-N 2.83Å
446	E	96.8	Very high	94.6	Very high	86 Å²	86	54.3 Å²	54.3	40%	0.402	29%	0.288	S	S	.	.	H	α-helix	trans	-67.1	-40.5	-179.1	-58.4	75.1	-164.7	0	0	112.2	Y440 S444 R448 Q449 V450	Y440-E446 HydrophobicContact CD1-CB 3.8Å; Y440-E446 HydrophobicContact CD1-CG 4.39Å; Y440-E446 HydrophobicContact CD2-CB 4.21Å; Y440-E446 HydrophobicContact CE1-CB 4.27Å; Y440-E446 HydrophobicContact CG-CB 3.76Å; S444-E446 WeakPolarHBondContact CB-OE2 3.36Å; S444-E446 PolarHBondContact O-N 3.21Å; S444-E446 PolarHBondContact OG-N 2.85Å; S444-E446 PolarHBondContact OG-OE2 3.49Å; E446-R448 PolarHBondContact O-N 2.8Å; E446-Q449 PolarHBondContact O-N 2.95Å; E446-V450 WeakPolarHBondContact O-CB 3.26Å; E446-V450 WeakPolarHBondContact O-CG2 3.46Å; E446-V450 PolarHBondContact O-N 3.11Å
447	E	95.7	Very high	94.2	Very high	14 Å²	14	52.6 Å²	52.6	7%	0.065	29%	0.286	C	S	.	.	H	α-helix	trans	-56.2	-51.9	174.7	171.5	-79.2	134.2	0	0	110.2	S444 Q449 V450 M451	S444-E447 PolarHBondContact O-N 2.71Å; S444-E447 PolarHBondContact OG-N 3.33Å; E447-Q449 PolarHBondContact O-N 2.61Å; E447-V450 PolarHBondContact O-N 2.85Å; E447-M451 PolarHBondContact O-N 2.87Å
448	R	94	Very high	93.6	Very high	47 Å²	47	52 Å²	52	18%	0.177	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-39.7	-179.1	-169.6	61.2	-118.3	165.7	0.3	112.7	D392 S444 P445 E446 V450 M451 D452	D392-R448 IonicContact OD1-NH1 3.29Å; D392-R448 IonicContact OD2-CZ 3.53Å; D392-R448 IonicContact OD2-NH1 3.78Å; D392-R448 PolarHBondContact OD2-NH1 2.91Å; S444-R448 PolarHBondContact O-N 3.11Å; P445-R448 PolarHBondContact O-N 2.84Å; E446-R448 PolarHBondContact O-N 2.8Å; R448-V450 VanDerWaalsContact C-N 3.31Å; R448-V450 PolarHBondContact O-N 2.81Å; R448-M451 VanDerWaalsContact CZ-CG 3.49Å; R448-M451 VanDerWaalsContact NH1-CG 3.33Å; R448-M451 VanDerWaalsContact NH2-CG 3.32Å; R448-M451 PolarHBondContact O-N 3.05Å; R448-D452 IonicContact CZ-OD1 3.27Å; R448-D452 VanDerWaalsContact CZ-OD1 3.23Å; R448-D452 IonicContact NE-OD1 2.88Å; R448-D452 PolarHBondContact NE-OD1 3.36Å; R448-D452 IonicContact NE-OD2 3.18Å; R448-D452 IonicContact NH2-OD1 3.43Å; R448-D452 PolarHBondContact NH2-OD1 2.66Å; R448-D452 WeakPolarHBondContact O-CB 3.48Å; R448-D452 VanDerWaalsContact O-CG 3.24Å; R448-D452 PolarHBondContact O-N 3Å
449	Q	95.4	Very high	92.2	Very high	123 Å²	123	58.3 Å²	58.3	58%	0.575	33%	0.328	S	S	*	.	H	α-helix	trans	-60.1	-41	175.4	-77.1	170.9	12.1	0	0	112	P445 E446 E447 D452 H453	P445-Q449 WeakPolarHBondContact O-CB 3.12Å; P445-Q449 WeakPolarHBondContact O-CG 3.46Å; P445-Q449 PolarHBondContact O-N 2.83Å; E446-Q449 PolarHBondContact O-N 2.95Å; E447-Q449 PolarHBondContact O-N 2.61Å; Q449-D452 PolarHBondContact O-N 3.29Å; Q449-H453 VanDerWaalsContact O-CB 3.28Å; Q449-H453 WeakPolarHBondContact O-CB 3.36Å; Q449-H453 PolarHBondContact O-N 2.95Å
450	V	95.8	Very high	90.7	Very high	19 Å²	19	61.3 Å²	61.3	12%	0.115	35%	0.349	C	S	.	.	H	α-helix	trans	-66.7	-42.5	176.9	164.9	0	0	0	0	111.3	F386 Y440 E446 E447 R448 H453 A454	F386-V450 HydrophobicContact CE2-CG1 3.8Å; F386-V450 HydrophobicContact CZ-CG1 3.99Å; Y440-V450 HydrophobicContact CD2-CG2 3.8Å; Y440-V450 HydrophobicContact CE2-CG2 3.64Å; E446-V450 WeakPolarHBondContact O-CB 3.26Å; E446-V450 WeakPolarHBondContact O-CG2 3.46Å; E446-V450 PolarHBondContact O-N 3.11Å; E447-V450 PolarHBondContact O-N 2.85Å; R448-V450 VanDerWaalsContact C-N 3.31Å; R448-V450 PolarHBondContact O-N 2.81Å; V450-H453 PolarHBondContact O-N 2.98Å; V450-A454 WeakPolarHBondContact O-CB 3.4Å; V450-A454 PolarHBondContact O-N 2.83Å
451	M	92.8	Very high	89	Confident	2 Å²	2	66.5 Å²	66.5	1%	0.01	38%	0.376	C	S	.	.	H	α-helix	trans	-64.9	-41.8	176.2	-169.3	61.5	167.7	0	0	111.6	L302 F386 N390 D392 E447 R448 A454 F455	L302-M451 HydrophobicContact CB-CE 3.91Å; L302-M451 WeakPolarHBondContact O-CE 3.2Å; F386-M451 HydrophobicContact CE1-SD 3.71Å; F386-M451 HydrophobicContact CZ-SD 4.12Å; N390-M451 HydrophobicContact CB-SD 4.48Å; N390-M451 WeakPolarHBondContact O-CE 3.5Å; D392-M451 HydrophobicContact CB-CE 4.13Å; E447-M451 PolarHBondContact O-N 2.87Å; R448-M451 VanDerWaalsContact CZ-CG 3.49Å; R448-M451 VanDerWaalsContact NH1-CG 3.33Å; R448-M451 VanDerWaalsContact NH2-CG 3.32Å; R448-M451 PolarHBondContact O-N 3.05Å; M451-A454 PolarHBondContact O-N 3.24Å; M451-F455 HydrophobicContact CE-CD2 4.41Å; M451-F455 HydrophobicContact CE-CE2 3.52Å; M451-F455 HydrophobicContact CE-CZ 3.91Å; M451-F455 HydrophobicContact CG-CD2 4.04Å; M451-F455 HydrophobicContact CG-CE2 3.84Å; M451-F455 WeakPolarHBondContact O-CD2 3.48Å; M451-F455 PolarHBondContact O-N 2.84Å; M451-F455 HydrophobicContact SD-CD2 4.48Å; M451-F455 HydrophobicContact SD-CE2 4.11Å
452	D	91.2	Very high	87.6	Confident	67 Å²	67	66.5 Å²	66.5	36%	0.358	36%	0.364	S	S	.	.	H	α-helix	trans	-63.7	-42.1	174.6	-69	-23.4	0	0	0	111.7	R448 Q449 F455 L456 R462	R448-D452 IonicContact CZ-OD1 3.27Å; R448-D452 VanDerWaalsContact CZ-OD1 3.23Å; R448-D452 IonicContact NE-OD1 2.88Å; R448-D452 PolarHBondContact NE-OD1 3.36Å; R448-D452 IonicContact NE-OD2 3.18Å; R448-D452 IonicContact NH2-OD1 3.43Å; R448-D452 PolarHBondContact NH2-OD1 2.66Å; R448-D452 WeakPolarHBondContact O-CB 3.48Å; R448-D452 VanDerWaalsContact O-CG 3.24Å; R448-D452 PolarHBondContact O-N 3Å; Q449-D452 PolarHBondContact O-N 3.29Å; D452-F455 PolarHBondContact O-N 2.81Å; D452-L456 WeakPolarHBondContact O-CG 3.13Å; D452-L456 PolarHBondContact O-N 3.3Å; D452-R462 IonicContact OD1-NH1 3.46Å
453	H	93.3	Very high	86.2	Confident	68 Å²	68	70.8 Å²	70.8	32%	0.315	38%	0.384	S	S	.	.	H	α-helix	trans	-58.8	-46	173	173.1	-115.7	0	0	0	111.8	K373 G374 D375 Q449 V450 F455 L456 L457	K373-H453 PolarHBondContact O-ND1 3.23Å; G374-H453 PolarHBondContact O-ND1 2.99Å; D375-H453 IonicContact OD1-CE1 3.33Å; D375-H453 PolarHBondContact OD1-CE1 3.43Å; Q449-H453 VanDerWaalsContact O-CB 3.28Å; Q449-H453 WeakPolarHBondContact O-CB 3.36Å; Q449-H453 PolarHBondContact O-N 2.95Å; V450-H453 PolarHBondContact O-N 2.98Å; H453-F455 PolarHBondContact O-N 2.87Å; H453-L456 WeakPolarHBondContact O-CB 3.42Å; H453-L456 PolarHBondContact O-N 2.84Å; H453-L457 WeakPolarHBondContact O-CG 3.37Å; H453-L457 PolarHBondContact O-N 2.82Å
454	A	93	Very high	85.2	Confident	0 Å²	0	70 Å²	70	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-61.9	-41.3	176.9	0	0	0	0	0	112	L302 I376 F386 V450 M451 L456 L457	L302-A454 HydrophobicContact CD1-CB 3.71Å; I376-A454 HydrophobicContact CD1-CB 4.36Å; I376-A454 VanDerWaalsContact CD1-O 3.3Å; I376-A454 WeakPolarHBondContact CD1-O 3.42Å; I376-A454 HydrophobicContact CG2-CB 4.07Å; F386-A454 HydrophobicContact CD1-CB 4.44Å; F386-A454 HydrophobicContact CE1-CB 3.73Å; F386-A454 HydrophobicContact CZ-CB 3.85Å; V450-A454 WeakPolarHBondContact O-CB 3.4Å; V450-A454 PolarHBondContact O-N 2.83Å; M451-A454 PolarHBondContact O-N 3.24Å; A454-L456 PolarHBondContact O-N 3Å; A454-L457 WeakPolarHBondContact O-CB 3.45Å; A454-L457 PolarHBondContact O-N 2.79Å
455	F	89.7	Confident	83.8	Confident	22 Å²	22	79.8 Å²	79.8	10%	0.096	40%	0.396	C	S	.	.	H	α-helix	trans	-62.5	-39.6	174	-86.8	-65.7	0	0	0	112.9	N301 L302 T303 M451 D452 H453 L457 L458 R462	N301-F455 WeakPolarHBondContact O-CE1 3.21Å; L302-F455 HydrophobicContact CB-CE1 4.03Å; L302-F455 HydrophobicContact CB-CZ 3.97Å; L302-F455 HydrophobicContact CD1-CD1 4.24Å; L302-F455 HydrophobicContact CD1-CE1 4.41Å; L302-F455 HydrophobicContact CD1-CG 4.34Å; T303-F455 HydrophobicContact CG2-CE1 4.5Å; T303-F455 HydrophobicContact CG2-CZ 4.03Å; M451-F455 HydrophobicContact CE-CD2 4.41Å; M451-F455 HydrophobicContact CE-CE2 3.52Å; M451-F455 HydrophobicContact CE-CZ 3.91Å; M451-F455 HydrophobicContact CG-CD2 4.04Å; M451-F455 HydrophobicContact CG-CE2 3.84Å; M451-F455 WeakPolarHBondContact O-CD2 3.48Å; M451-F455 PolarHBondContact O-N 2.84Å; M451-F455 HydrophobicContact SD-CD2 4.48Å; M451-F455 HydrophobicContact SD-CE2 4.11Å; D452-F455 PolarHBondContact O-N 2.81Å; H453-F455 PolarHBondContact O-N 2.87Å; F455-L457 PolarHBondContact O-N 3.38Å; F455-L458 HydrophobicContact CD1-CD1 3.77Å; F455-L458 HydrophobicContact CE1-CD1 4.18Å; F455-L458 VanDerWaalsContact O-CB 3.31Å; F455-L458 WeakPolarHBondContact O-CB 3.37Å; F455-L458 PolarHBondContact O-N 3.18Å; F455-R462 HydrophobicContact CD1-CB 4.38Å; F455-R462 HydrophobicContact CD1-CG 4.32Å; F455-R462 HydrophobicContact CE1-CG 4.21Å; F455-R462 HydrophobicContact CZ-CG 4.43Å
456	L	89.6	Confident	82.7	Confident	147 Å²	147	82.7 Å²	82.7	77%	0.77	40%	0.396	S	S	*	.	H	α-helix	trans	-63.2	-23.2	177	-72	171.3	0	0	0	113.1	D452 H453 A454 L458	D452-L456 WeakPolarHBondContact O-CG 3.13Å; D452-L456 PolarHBondContact O-N 3.3Å; H453-L456 WeakPolarHBondContact O-CB 3.42Å; H453-L456 PolarHBondContact O-N 2.84Å; A454-L456 PolarHBondContact O-N 3Å; L456-L458 VanDerWaalsContact C-N 3.32Å
457	L	89.4	Confident	81.5	Confident	74 Å²	74	80.8 Å²	80.8	39%	0.387	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-8.5	176.1	-64.3	168.9	0	0	0	112.6	I376 F377 H453 A454 F455	I376-L457 HydrophobicContact CD1-CB 3.98Å; I376-L457 HydrophobicContact CG1-CB 3.97Å; I376-L457 HydrophobicContact CG1-CD1 3.88Å; F377-L457 HydrophobicContact CD1-CD1 3.87Å; F377-L457 HydrophobicContact CD1-CD2 4.32Å; F377-L457 HydrophobicContact CE1-CD1 4.23Å; H453-L457 WeakPolarHBondContact O-CG 3.37Å; H453-L457 PolarHBondContact O-N 2.82Å; A454-L457 WeakPolarHBondContact O-CB 3.45Å; A454-L457 PolarHBondContact O-N 2.79Å; F455-L457 PolarHBondContact O-N 3.38Å
458	L	85.4	Confident	80.4	Confident	16 Å²	16	87.1 Å²	87.1	8%	0.084	43%	0.43	C	S	.	.	S	Bend	trans	-79.8	147.4	172	-57.3	-173.8	0	0	0	110.8	L302 I376 F455 L456 S460	L302-L458 HydrophobicContact CD1-CD1 3.84Å; L302-L458 HydrophobicContact CD1-CD2 4.32Å; L302-L458 HydrophobicContact CD1-CG 4.11Å; L302-L458 HydrophobicContact CG-CD1 3.91Å; L302-L458 HydrophobicContact CG-CD2 4.4Å; L302-L458 HydrophobicContact CG-CG 4.48Å; I376-L458 HydrophobicContact CD1-CD2 3.77Å; F455-L458 HydrophobicContact CD1-CD1 3.77Å; F455-L458 HydrophobicContact CE1-CD1 4.18Å; F455-L458 VanDerWaalsContact O-CB 3.31Å; F455-L458 WeakPolarHBondContact O-CB 3.37Å; F455-L458 PolarHBondContact O-N 3.18Å; L456-L458 VanDerWaalsContact C-N 3.32Å; L458-S460 PolarHBondContact O-N 2.99Å
459	S	70	Confident	79.4	Confident	134 Å²	134	86.6 Å²	86.6	94%	0.937	43%	0.429	S	S	*	.	S	Bend	trans	-77	-2.4	175.3	-39.2	0	0	0	0	113.5
460	S	65.8	Low	78.2	Confident	66 Å²	66	87.6 Å²	87.6	46%	0.462	43%	0.434	S	S	.	.	S	Bend	trans	-115.9	138.4	-175.7	53	0	0	0	0	110.6	L458	L458-S460 PolarHBondContact O-N 2.99Å
461	E	61.8	Low	76.9	Confident	173 Å²	173	88.4 Å²	88.4	81%	0.808	44%	0.438	S	S	*	.			trans	-65.5	148.6	172.3	-71.9	-170.3	172.4	0	0	110.9	E463	E461-E463 VanDerWaalsContact C-N 3.35Å; E461-E463 PolarHBondContact O-N 3.32Å
462	R	67.3	Low	76	Confident	92 Å²	92	88.6 Å²	88.6	35%	0.347	44%	0.438	S	S	.	.			trans	-74.4	91.3	170.6	-168.5	-179	-172	-169.9	8.7	108.5	D392 D452 F455 H464	D392-R462 IonicContact OD2-CZ 2.69Å; D392-R462 IonicContact OD2-NH2 3.6Å; D392-R462 PolarHBondContact OD2-NH2 3.04Å; D452-R462 IonicContact OD1-NH1 3.46Å; F455-R462 HydrophobicContact CD1-CB 4.38Å; F455-R462 HydrophobicContact CD1-CG 4.32Å; F455-R462 HydrophobicContact CE1-CG 4.21Å; F455-R462 HydrophobicContact CZ-CG 4.43Å; R462-H464 PolarHBondContact O-N 2.69Å
463	E	63.7	Low	75.2	Confident	163 Å²	163	90.3 Å²	90.3	76%	0.762	45%	0.447	S	S	*	.			trans	-70.4	-17.4	-175.4	-65.7	-172.5	171.1	0	0	113.4	E461	E461-E463 VanDerWaalsContact C-N 3.35Å; E461-E463 PolarHBondContact O-N 3.32Å
464	H	68.2	Low	74.7	Confident	52 Å²	52	91.4 Å²	91.4	24%	0.241	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-96	122.5	-170.8	-51.1	-44.9	0	0	0	112.6	L394 W396 I409 R462	L394-H464 HydrophobicContact CD1-CB 3.93Å; L394-H464 WeakPolarHBondContact CD1-CD2 3.46Å; W396-H464 AromaticContact CH2-CE1 3.69Å; W396-H464 AromaticContact CH2-ND1 3.57Å; W396-H464 AromaticContact CZ2-CE1 3.51Å; W396-H464 AromaticContact CZ2-ND1 3.57Å; I409-H464 HydrophobicContact CD1-CB 3.82Å; R462-H464 PolarHBondContact O-N 2.69Å
465	R	66.3	Low	74.5	Confident	225 Å²	225	91.9 Å²	91.9	85%	0.849	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-103.6	144	172	-65.2	-175.7	-178.6	-177	1.2	110.2
466	R	70.5	Confident	74.5	Confident	147 Å²	147	92.2 Å²	92.2	56%	0.555	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-56.1	130.8	171.3	-75.9	-176.7	178.6	-177.2	0	109.3	M412 T414 V468	M412-R466 HydrophobicContact CB-CG 4.36Å; M412-R466 HydrophobicContact CG-CG 4.36Å; M412-R466 HydrophobicContact SD-CG 3.39Å; M412-R466 WeakPolarHBondContact SD-CG 3.49Å; T414-R466 PolarHBondContact OG1-NH2 2.7Å; R466-V468 PolarHBondContact O-N 2.62Å
467	P	71.6	Confident	74.5	Confident	45 Å²	45	86 Å²	86	29%	0.292	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-61.3	128	176.3	22.8	-31.2	0	0	0	109.8	I409	I409-P467 HydrophobicContact CG2-CG 4.41Å
468	V	72.7	Confident	74.4	Confident	147 Å²	147	87.9 Å²	87.9	89%	0.891	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-76.5	123.4	175.7	-179.5	0	0	0	0	108.1	R466	R466-V468 PolarHBondContact O-N 2.62Å
469	K	73.4	Confident	74.5	Confident	37 Å²	37	87.6 Å²	87.6	16%	0.161	43%	0.434	C	S	.	.			trans	-118.9	129.9	179.8	-56.1	-170.4	-170.7	-172.5	0	110.5	I410 F472 K497 I575 M576	I410-K469 PolarHBondContact O-NZ 3.44Å; K469-F472 HydrophobicContact CB-CB 4.35Å; K469-F472 WeakPolarHBondContact CB-O 3.24Å; K469-F472 HydrophobicContact CD-CB 3.96Å; K469-K497 PolarHBondContact O-NZ 2.67Å; K469-I575 PolarHBondContact NZ-O 2.84Å; K469-M576 HydrophobicContact CD-CG 4.18Å; K469-M576 HydrophobicContact CD-SD 3.91Å; K469-M576 PolarHBondContact NZ-SD 2.86Å; K469-M576 VanDerWaalsContact NZ-SD 3.37Å
470	E	70.3	Confident	75	Confident	144 Å²	144	87.7 Å²	87.7	67%	0.673	42%	0.424	S	S	*	.	S	Bend	trans	-78	-46.8	178.1	-60.9	-170.4	160.1	0	0	111.3	K497 E574	E470-K497 WeakPolarHBondContact O-CD 3.39Å; E470-K497 VanDerWaalsContact O-CE 3.25Å; E470-K497 WeakPolarHBondContact O-CE 3.1Å; E470-K497 PolarHBondContact O-NZ 3.37Å; E470-E574 VanDerWaalsContact CA-OE1 3.24Å; E470-E574 WeakPolarHBondContact CA-OE1 3.42Å; E470-E574 VanDerWaalsContact CB-OE1 3.27Å; E470-E574 WeakPolarHBondContact CB-OE1 3.42Å; E470-E574 PolarHBondContact N-OE1 3.34Å
471	N	69.3	Low	75.6	Confident	36 Å²	36	87 Å²	87	19%	0.193	42%	0.415	C	S	.	.	S	Bend	trans	-106	-39	-173.3	-70.5	-42.9	0	0	0	114.3	R496 K497 S572 E574	N471-R496 CarbonylContact O-C 3.54Å; N471-R496 VanDerWaalsContact O-CA 3.27Å; N471-R496 WeakPolarHBondContact O-CA 3.4Å; N471-K497 PolarHBondContact O-N 2.89Å; N471-S572 WeakPolarHBondContact ND2-CB 3.3Å; N471-E574 WeakPolarHBondContact CA-OE2 3.37Å; N471-E574 WeakPolarHBondContact CB-OE2 3.38Å; N471-E574 PolarHBondContact N-OE1 2.79Å; N471-E574 PolarHBondContact N-OE2 2.88Å; N471-E574 VanDerWaalsContact N-OE2 3.1Å
472	F	74	Confident	76.5	Confident	5 Å²	5	79.2 Å²	79.2	2%	0.022	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	122.3	-177	-93.9	-44.6	0	0	0	112.4	K469 L494 R496 A567 I569 E574 M576	K469-F472 HydrophobicContact CB-CB 4.35Å; K469-F472 WeakPolarHBondContact CB-O 3.24Å; K469-F472 HydrophobicContact CD-CB 3.96Å; F472-L494 HydrophobicContact CE1-CB 4.42Å; F472-L494 HydrophobicContact CE1-CD1 4.47Å; F472-L494 HydrophobicContact CE1-CD2 4.01Å; F472-L494 HydrophobicContact CZ-CD2 4.45Å; F472-R496 HydrophobicContact CD1-CG 4.12Å; F472-R496 HydrophobicContact CE1-CG 4.37Å; F472-A567 HydrophobicContact CZ-CB 4.18Å; F472-I569 HydrophobicContact CD1-CG1 4.42Å; F472-I569 HydrophobicContact CD2-CG1 3.91Å; F472-I569 HydrophobicContact CE1-CD1 3.77Å; F472-I569 HydrophobicContact CE1-CG1 3.96Å; F472-I569 HydrophobicContact CE2-CB 4.25Å; F472-I569 HydrophobicContact CE2-CD1 3.96Å; F472-I569 HydrophobicContact CE2-CG1 3.43Å; F472-I569 VanDerWaalsContact CE2-CG1 3.43Å; F472-I569 HydrophobicContact CG-CG1 4.41Å; F472-I569 HydrophobicContact CZ-CD1 3.4Å; F472-I569 VanDerWaalsContact CZ-CD1 3.4Å; F472-I569 HydrophobicContact CZ-CG1 3.44Å; F472-I569 VanDerWaalsContact CZ-CG1 3.44Å; F472-E574 WeakPolarHBondContact CB-OE2 3.36Å; F472-E574 HydrophobicContact CD2-CB 3.63Å; F472-E574 HydrophobicContact CE2-CB 4.3Å; F472-E574 WeakPolarHBondContact CE2-O 3.38Å; F472-E574 PolarHBondContact N-OE2 3.43Å; F472-M576 HydrophobicContact CB-CE 3.39Å; F472-M576 HydrophobicContact CB-CG 4Å; F472-M576 HydrophobicContact CB-SD 3.77Å; F472-M576 HydrophobicContact CD1-CE 3.23Å; F472-M576 HydrophobicContact CD1-CG 4.35Å; F472-M576 HydrophobicContact CD1-SD 4.5Å; F472-M576 HydrophobicContact CD2-CE 4.19Å; F472-M576 HydrophobicContact CD2-CG 3.71Å; F472-M576 HydrophobicContact CE1-CE 3.95Å; F472-M576 HydrophobicContact CE2-CG 4.1Å; F472-M576 HydrophobicContact CG-CE 3.38Å; F472-M576 HydrophobicContact CG-CG 3.82Å; F472-M576 HydrophobicContact CG-SD 4.1Å
473	L	73.6	Confident	77.4	Confident	103 Å²	103	77.6 Å²	77.6	54%	0.539	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-48.5	176.2	-71.8	175.7	0	0	0	112.1	K495 K497	L473-K495 HydrophobicContact CB-CB 4.29Å; L473-K495 WeakPolarHBondContact CB-O 3.37Å; L473-K495 PolarHBondContact N-O 2.82Å; L473-K497 HydrophobicContact CD1-CG 3.97Å; L473-K497 HydrophobicContact CD2-CD 4.02Å; L473-K497 HydrophobicContact CD2-CG 3.44Å; L473-K497 VanDerWaalsContact CD2-CG 3.44Å; L473-K497 HydrophobicContact CG-CG 3.53Å
474	H	83.6	Confident	78.4	Confident	91 Å²	91	69.9 Å²	69.9	42%	0.421	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	147.4	-175.7	-178.6	71.3	0	0	0	111	K495 M576	H474-K495 HydrophobicContact CB-CB 4.18Å; H474-K495 HydrophobicContact CB-CD 4.34Å; H474-K495 PolarHBondContact N-O 2.78Å; H474-K495 PolarHBondContact O-N 3.48Å; H474-M576 WeakPolarHBondContact O-CE 3.33Å
475	M	88.8	Confident	79.2	Confident	11 Å²	11	67.6 Å²	67.6	5%	0.054	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	133.2	172.1	169	175.6	170.1	0	0	107.3	V477 V492 I493 L494 I565 A567 M576	M475-V477 HydrophobicContact CE-CG2 3.75Å; M475-V492 HydrophobicContact CE-CG1 3.84Å; M475-V492 HydrophobicContact CG-CG1 4.43Å; M475-V492 HydrophobicContact SD-CG1 4.5Å; M475-I493 WeakPolarHBondContact CA-O 3.26Å; M475-L494 HydrophobicContact CB-CD2 4.1Å; M475-L494 HydrophobicContact CG-CD2 3.9Å; M475-L494 HydrophobicContact SD-CD2 4.07Å; M475-I565 HydrophobicContact CE-CB 3.87Å; M475-I565 HydrophobicContact CE-CG2 3.77Å; M475-I565 WeakPolarHBondContact CE-O 3.44Å; M475-A567 HydrophobicContact CE-CB 4.23Å; M475-A567 HydrophobicContact SD-CB 3.63Å; M475-M576 HydrophobicContact CB-CB 3.99Å; M475-M576 HydrophobicContact CB-CE 3.72Å; M475-M576 HydrophobicContact CB-SD 4.39Å; M475-M576 HydrophobicContact SD-CB 3.92Å
476	S	88.7	Confident	80.3	Confident	28 Å²	28	60 Å²	60	20%	0.196	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.1	170.6	59.1	0	0	0	0	108.9	I493	S476-I493 PolarHBondContact N-O 2.99Å; S476-I493 PolarHBondContact O-N 2.82Å
477	V	89.8	Confident	81.2	Confident	18 Å²	18	56.2 Å²	56.2	11%	0.109	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127	174.5	-176.3	0	0	0	0	108.5	M475 F490 T491 V492 I565 V580	M475-V477 HydrophobicContact CE-CG2 3.75Å; V477-F490 HydrophobicContact CG1-CB 4.13Å; V477-T491 WeakPolarHBondContact CA-O 3.42Å; V477-V492 HydrophobicContact CG2-CG2 4.28Å; V477-I565 HydrophobicContact CB-CD1 4.33Å; V477-I565 HydrophobicContact CG1-CD1 3.52Å; V477-I565 HydrophobicContact CG2-CB 4.09Å; V477-I565 HydrophobicContact CG2-CD1 3.93Å; V477-I565 HydrophobicContact CG2-CG1 4.32Å; V477-V580 HydrophobicContact CB-CB 3.98Å; V477-V580 HydrophobicContact CB-CG2 4.35Å; V477-V580 HydrophobicContact CG1-CB 3.68Å; V477-V580 HydrophobicContact CG1-CG1 3.88Å; V477-V580 HydrophobicContact CG1-CG2 3.84Å
478	Q	88.1	Confident	82.1	Confident	112 Å²	112	54.2 Å²	54.2	52%	0.523	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	144.7	175.6	-64.3	-177.2	-9.9	0	0	109.6	F490 T491 I493	Q478-F490 CarbonylContact O-C 3.52Å; Q478-F490 WeakPolarHBondContact O-CA 3.2Å; Q478-T491 PolarHBondContact N-O 2.87Å; Q478-T491 PolarHBondContact O-N 2.73Å; Q478-I493 VanDerWaalsContact CD-CD1 3.47Å; Q478-I493 HydrophobicContact CG-CD1 4Å
479	S	86.6	Confident	83	Confident	10 Å²	10	51 Å²	51	7%	0.07	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	134.2	166.9	60.1	0	0	0	0	107.6	R172 F581	R172-S479 PolarHBondContact NH1-O 2.89Å; R172-S479 PolarHBondContact NH1-OG 3.19Å; R172-S479 PolarHBondContact NH2-O 2.83Å; R172-S479 PolarHBondContact NH2-OG 3.05Å; R172-S479 VanDerWaalsContact NH2-OG 3.15Å; S479-F581 PolarHBondContact OG-O 3.07Å
480	D	80.8	Confident	83.9	Confident	137 Å²	137	49.2 Å²	49.2	73%	0.733	26%	0.26	S	S	*	.			trans	-69.4	156	169.6	-65.5	-39.8	0	0	0	109.5	A482	D480-A482 PolarHBondContact O-N 3.36Å
481	D	77.7	Confident	85	Confident	50 Å²	50	44 Å²	44	27%	0.267	24%	0.238	S	C	.	.			trans	-66.1	133.1	169.7	-71.6	-13.9	0	0	0	109.5	R172 Q585	R172-D481 IonicContact CZ-OD1 3.66Å; R172-D481 IonicContact NE-OD1 2.75Å; R172-D481 PolarHBondContact NE-OD1 2.84Å; R172-D481 IonicContact NH2-OD1 3.73Å; R172-D481 PolarHBondContact NH2-OD1 3.39Å; D481-Q585 HydrophobicContact CB-CG 3.91Å; D481-Q585 PolarHBondContact OD2-NE2 2.88Å
482	A	82.6	Confident	86.2	Confident	10 Å²	10	42.2 Å²	42.2	8%	0.083	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	138.9	-174.8	0	0	0	0	0	110.6	D480 V488 V582 S583 F584 Q585	D480-A482 PolarHBondContact O-N 3.36Å; A482-V488 HydrophobicContact CB-CG2 3.89Å; A482-V582 HydrophobicContact CB-CG1 4.15Å; A482-S583 PolarHBondContact N-O 2.95Å; A482-F584 HydrophobicContact CB-CD1 4.44Å; A482-F584 WeakPolarHBondContact O-CA 3.25Å; A482-Q585 PolarHBondContact O-N 2.95Å
483	L	84.4	Confident	87.2	Confident	58 Å²	58	42.7 Å²	42.7	30%	0.304	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	135.8	162	-69.5	175	0	0	0	109	G485 N486 Q585 L613	L483-G485 PolarHBondContact O-N 3.1Å; L483-G485 VanDerWaalsContact O-N 3.14Å; L483-N486 WeakPolarHBondContact O-CB 3.4Å; L483-N486 PolarHBondContact O-N 3.38Å; L483-Q585 HydrophobicContact CD2-CB 3.98Å; L483-L613 HydrophobicContact CB-CD2 4.26Å; L483-L613 HydrophobicContact CD2-CD2 4.33Å
484	L	85.9	Confident	88.1	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.005	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	120.6	177.5	-174.5	65.1	0	0	0	110.8	Y548 L552 F584 Y586 L613 I615 Q670 V671	L484-Y548 HydrophobicContact CD1-CE2 4.17Å; L484-L552 HydrophobicContact CD1-CD1 3.23Å; L484-L552 HydrophobicContact CD2-CD1 4.47Å; L484-L552 HydrophobicContact CG-CD1 4.19Å; L484-F584 HydrophobicContact CB-CD1 4.27Å; L484-F584 HydrophobicContact CB-CG 4.49Å; L484-F584 HydrophobicContact CD1-CD1 3.78Å; L484-F584 HydrophobicContact CD1-CD2 3.97Å; L484-F584 HydrophobicContact CD1-CE1 3.84Å; L484-F584 HydrophobicContact CD1-CE2 4.02Å; L484-F584 HydrophobicContact CD1-CG 3.84Å; L484-F584 HydrophobicContact CD1-CZ 3.94Å; L484-Y586 HydrophobicContact CB-CE1 4.45Å; L484-Y586 HydrophobicContact CD2-CE1 4.22Å; L484-L613 HydrophobicContact CB-CD1 4.11Å; L484-L613 HydrophobicContact CB-CD2 4.05Å; L484-L613 HydrophobicContact CD2-CD1 4.31Å; L484-I615 HydrophobicContact CD2-CD1 3.98Å; L484-I615 HydrophobicContact CG-CD1 4.02Å; L484-Q670 HydrophobicContact CD2-CB 4.17Å; L484-Q670 WeakPolarHBondContact CD2-O 3.41Å; L484-V671 HydrophobicContact CD2-CG2 4.17Å
485	G	84.9	Confident	88.5	Confident	5 Å²	5	38 Å²	38	5%	0.052	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.3	-7.4	-178.2	0	0	0	0	0	115.1	L483 S545 Y548	L483-G485 PolarHBondContact O-N 3.1Å; L483-G485 VanDerWaalsContact O-N 3.14Å; G485-S545 WeakPolarHBondContact O-CB 3.22Å; G485-S545 PolarHBondContact O-OG 3.2Å; G485-Y548 WeakPolarHBondContact CA-OH 3.39Å; G485-Y548 PolarHBondContact N-OH 2.82Å
486	N	88.3	Confident	88.6	Confident	64 Å²	64	37.6 Å²	37.6	34%	0.342	20%	0.203	S	C	.	.	S	Bend	trans	-93.7	153.2	175.4	-70.5	-0.3	0	0	0	112.5	L483 Y548	L483-N486 WeakPolarHBondContact O-CB 3.4Å; L483-N486 PolarHBondContact O-N 3.38Å; N486-Y548 PolarHBondContact N-OH 2.89Å; N486-Y548 VanDerWaalsContact N-OH 3.13Å; N486-Y548 PolarHBondContact O-OH 3.2Å
487	P	90.1	Very high	88.5	Confident	68 Å²	68	41.3 Å²	41.3	44%	0.442	22%	0.216	S	C	.	.			trans	-57.1	148.6	170.4	-22.8	33.7	0	0	0	111.6	T542 L543	P487-T542 HydrophobicContact CB-CG2 4.25Å; P487-L543 CarbonylContact C-O 3.58Å; P487-L543 VanDerWaalsContact CA-O 3.31Å; P487-L543 WeakPolarHBondContact CA-O 3.46Å
488	V	90.3	Very high	88.3	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.018	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128.8	178	-171.5	0	0	0	0	110	A482 F490 T542 L543 Y548 V582	A482-V488 HydrophobicContact CB-CG2 3.89Å; V488-F490 HydrophobicContact CB-CE2 4.19Å; V488-F490 HydrophobicContact CB-CZ 4.29Å; V488-F490 HydrophobicContact CG1-CE1 4.16Å; V488-F490 HydrophobicContact CG1-CE2 3.97Å; V488-F490 HydrophobicContact CG1-CZ 3.74Å; V488-T542 WeakPolarHBondContact O-CA 3.37Å; V488-L543 HydrophobicContact CB-CB 4.36Å; V488-L543 PolarHBondContact N-O 2.69Å; V488-L543 PolarHBondContact O-N 2.9Å; V488-Y548 HydrophobicContact CG2-CE1 4.04Å; V488-V582 HydrophobicContact CG1-CB 4.41Å; V488-V582 HydrophobicContact CG1-CG1 3.85Å; V488-V582 HydrophobicContact CG1-CG2 3.63Å; V488-V582 HydrophobicContact CG2-CG1 4.07Å
489	N	91.6	Very high	88.2	Confident	79 Å²	79	39.7 Å²	39.7	42%	0.422	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	134.3	176	-67.1	-37.4	0	0	0	110.3	T540 L541 T542	N489-T540 HydrophobicContact CB-CG2 4.06Å; N489-L541 WeakPolarHBondContact CA-O 3.36Å; N489-T542 WeakPolarHBondContact OD1-CB 3.47Å; N489-T542 VanDerWaalsContact OD1-CG2 3.25Å; N489-T542 WeakPolarHBondContact OD1-CG2 3.42Å; N489-T542 PolarHBondContact OD1-OG1 2.99Å
490	F	92.5	Very high	88.3	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	113.4	174.3	-57.2	-83.1	0	0	0	108.6	V477 Q478 V488 F510 T540 L541 L543 I565 V580 V582	V477-F490 HydrophobicContact CG1-CB 4.13Å; Q478-F490 CarbonylContact O-C 3.52Å; Q478-F490 WeakPolarHBondContact O-CA 3.2Å; V488-F490 HydrophobicContact CB-CE2 4.19Å; V488-F490 HydrophobicContact CB-CZ 4.29Å; V488-F490 HydrophobicContact CG1-CE1 4.16Å; V488-F490 HydrophobicContact CG1-CE2 3.97Å; V488-F490 HydrophobicContact CG1-CZ 3.74Å; F490-F510 AromaticContact CD1-CE1 3.97Å; F490-F510 HydrophobicContact CD1-CE1 3.97Å; F490-F510 HydrophobicContact CD2-CD1 4.46Å; F490-F510 AromaticContact CD2-CE1 3.52Å; F490-F510 HydrophobicContact CD2-CE1 3.52Å; F490-F510 AromaticContact CD2-CZ 3.64Å; F490-F510 HydrophobicContact CD2-CZ 3.64Å; F490-F510 HydrophobicContact CE1-CD1 4.36Å; F490-F510 AromaticContact CE1-CE1 3.72Å; F490-F510 HydrophobicContact CE1-CE1 3.72Å; F490-F510 AromaticContact CE2-CD1 3.78Å; F490-F510 HydrophobicContact CE2-CD1 3.78Å; F490-F510 AromaticContact CE2-CE1 3.24Å; F490-F510 HydrophobicContact CE2-CE1 3.24Å; F490-F510 AromaticContact CE2-CZ 3.79Å; F490-F510 HydrophobicContact CE2-CZ 3.79Å; F490-F510 AromaticContact CG-CE1 3.87Å; F490-F510 HydrophobicContact CG-CE1 3.87Å; F490-F510 HydrophobicContact CG-CZ 4.06Å; F490-F510 AromaticContact CZ-CD1 3.71Å; F490-F510 HydrophobicContact CZ-CD1 3.71Å; F490-F510 AromaticContact CZ-CE1 3.34Å; F490-F510 HydrophobicContact CZ-CE1 3.34Å; F490-F510 HydrophobicContact CZ-CZ 4.3Å; F490-T540 CarbonylContact O-C 3.58Å; F490-T540 WeakPolarHBondContact O-CA 3.33Å; F490-L541 HydrophobicContact CB-CB 4.38Å; F490-L541 PolarHBondContact N-O 2.78Å; F490-L541 PolarHBondContact O-N 3.02Å; F490-L543 HydrophobicContact CE2-CB 3.85Å; F490-L543 HydrophobicContact CE2-CD2 4.33Å; F490-I565 HydrophobicContact CB-CD1 4.19Å; F490-V580 HydrophobicContact CD1-CB 4.27Å; F490-V580 HydrophobicContact CD1-CG1 3.5Å; F490-V580 HydrophobicContact CD1-CG2 3.78Å; F490-V580 HydrophobicContact CE1-CG1 3.66Å; F490-V580 HydrophobicContact CE1-CG2 4.05Å; F490-V580 HydrophobicContact CG-CG1 4.44Å; F490-V582 HydrophobicContact CE1-CG2 3.41Å; F490-V582 VanDerWaalsContact CE1-CG2 3.41Å; F490-V582 HydrophobicContact CZ-CG2 3.39Å
491	T	93.8	Very high	88.9	Confident	34 Å²	34	39.8 Å²	39.8	21%	0.209	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	109.6	178	-59	0	0	0	0	109	V477 Q478 I493 E538	V477-T491 WeakPolarHBondContact CA-O 3.42Å; Q478-T491 PolarHBondContact N-O 2.87Å; Q478-T491 PolarHBondContact O-N 2.73Å; T491-I493 HydrophobicContact CG2-CG1 4.21Å; T491-E538 HydrophobicContact CG2-CB 4.15Å; T491-E538 HydrophobicContact CG2-CG 4.37Å
492	V	94.5	Very high	89.5	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	114.6	175.7	-176.2	0	0	0	0	108.6	M475 V477 L494 I506 E538 V539 L541 I565	M475-V492 HydrophobicContact CE-CG1 3.84Å; M475-V492 HydrophobicContact CG-CG1 4.43Å; M475-V492 HydrophobicContact SD-CG1 4.5Å; V477-V492 HydrophobicContact CG2-CG2 4.28Å; V492-L494 HydrophobicContact CG1-CD2 3.82Å; V492-L494 HydrophobicContact CG1-CG 4.1Å; V492-I506 HydrophobicContact CB-CD1 4.31Å; V492-I506 HydrophobicContact CG1-CD1 4.25Å; V492-I506 HydrophobicContact CG2-CG2 4.23Å; V492-E538 CarbonylContact O-C 3.56Å; V492-E538 WeakPolarHBondContact O-CA 3.25Å; V492-V539 WeakPolarHBondContact CB-O 3.47Å; V492-V539 PolarHBondContact N-O 3.47Å; V492-V539 PolarHBondContact O-N 3Å; V492-L541 HydrophobicContact CG2-CD1 4.49Å; V492-I565 HydrophobicContact CG2-CD1 4.15Å; V492-I565 HydrophobicContact CG2-CG2 3.95Å
493	I	94.3	Very high	90	Very high	15 Å²	15	40.1 Å²	40.1	8%	0.077	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	118.7	178.5	-54.2	174	0	0	0	108.3	M475 S476 Q478 T491 V536 E538	M475-I493 WeakPolarHBondContact CA-O 3.26Å; S476-I493 PolarHBondContact N-O 2.99Å; S476-I493 PolarHBondContact O-N 2.82Å; Q478-I493 VanDerWaalsContact CD-CD1 3.47Å; Q478-I493 HydrophobicContact CG-CD1 4Å; T491-I493 HydrophobicContact CG2-CG1 4.21Å; I493-V536 HydrophobicContact CG2-CG1 3.96Å; I493-E538 HydrophobicContact CG1-CG 4.28Å
494	L	92.8	Very high	90.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	119.3	-179.1	-58.8	175.1	0	0	0	109.7	F472 M475 V492 V504 I532 V536 S537 A567	F472-L494 HydrophobicContact CE1-CB 4.42Å; F472-L494 HydrophobicContact CE1-CD1 4.47Å; F472-L494 HydrophobicContact CE1-CD2 4.01Å; F472-L494 HydrophobicContact CZ-CD2 4.45Å; M475-L494 HydrophobicContact CB-CD2 4.1Å; M475-L494 HydrophobicContact CG-CD2 3.9Å; M475-L494 HydrophobicContact SD-CD2 4.07Å; V492-L494 HydrophobicContact CG1-CD2 3.82Å; V492-L494 HydrophobicContact CG1-CG 4.1Å; L494-V504 HydrophobicContact CD1-CB 4.38Å; L494-V504 HydrophobicContact CD1-CG1 4.15Å; L494-V504 HydrophobicContact CD1-CG2 3.86Å; L494-I532 HydrophobicContact CD1-CD1 3.82Å; L494-V536 WeakPolarHBondContact O-CA 3.36Å; L494-S537 PolarHBondContact N-O 2.82Å; L494-S537 PolarHBondContact O-N 2.81Å; L494-A567 HydrophobicContact CD2-CB 3.82Å
495	K	91.8	Very high	90.9	Very high	95 Å²	95	39.8 Å²	39.8	41%	0.413	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.9	171.6	-60.8	-174.4	179.7	174.3	0	109.6	L473 H474 Q535 V536	L473-K495 HydrophobicContact CB-CB 4.29Å; L473-K495 WeakPolarHBondContact CB-O 3.37Å; L473-K495 PolarHBondContact N-O 2.82Å; H474-K495 HydrophobicContact CB-CB 4.18Å; H474-K495 HydrophobicContact CB-CD 4.34Å; H474-K495 PolarHBondContact N-O 2.78Å; H474-K495 PolarHBondContact O-N 3.48Å; K495-Q535 CarbonylContact C-O 3.58Å; K495-Q535 WeakPolarHBondContact CA-O 3.05Å; K495-V536 HydrophobicContact CG-CG2 4.32Å
496	R	90.5	Very high	91.4	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.008	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	152.4	-175.4	-61.4	-175.6	-64.1	160.6	-3.4	111.3	N471 F472 T498 A500 I532 G534 Q535	N471-R496 CarbonylContact O-C 3.54Å; N471-R496 VanDerWaalsContact O-CA 3.27Å; N471-R496 WeakPolarHBondContact O-CA 3.4Å; F472-R496 HydrophobicContact CD1-CG 4.12Å; F472-R496 HydrophobicContact CE1-CG 4.37Å; R496-T498 VanDerWaalsContact C-N 3.33Å; R496-A500 PolarHBondContact NH1-O 2.75Å; R496-A500 PolarHBondContact NH2-O 3.17Å; R496-I532 PolarHBondContact NH2-O 3.1Å; R496-I532 VanDerWaalsContact NH2-O 3.17Å; R496-G534 PolarHBondContact NH2-O 2.9Å; R496-Q535 PolarHBondContact N-O 2.82Å
497	K	87.3	Confident	91.7	Very high	107 Å²	107	37.7 Å²	37.7	47%	0.465	21%	0.213	S	C	.	.	S	Bend	trans	-68	-36.2	173.2	-65.4	-163.4	-157.2	145.2	0	111.9	K469 E470 N471 L473 Q535	K469-K497 PolarHBondContact O-NZ 2.67Å; E470-K497 WeakPolarHBondContact O-CD 3.39Å; E470-K497 VanDerWaalsContact O-CE 3.25Å; E470-K497 WeakPolarHBondContact O-CE 3.1Å; E470-K497 PolarHBondContact O-NZ 3.37Å; N471-K497 PolarHBondContact O-N 2.89Å; L473-K497 HydrophobicContact CD1-CG 3.97Å; L473-K497 HydrophobicContact CD2-CD 4.02Å; L473-K497 HydrophobicContact CD2-CG 3.44Å; L473-K497 VanDerWaalsContact CD2-CG 3.44Å; L473-K497 HydrophobicContact CG-CG 3.53Å; K497-Q535 PolarHBondContact O-NE2 2.91Å
498	T	85.1	Confident	91.9	Very high	42 Å²	42	34.4 Å²	34.4	26%	0.258	19%	0.192	S	C	.	.			trans	-97.5	149.8	-178.8	-176.2	0	0	0	0	111.9	R496 A500	R496-T498 VanDerWaalsContact C-N 3.33Å; T498-A500 HydrophobicContact CG2-CB 4.38Å; T498-A500 VanDerWaalsContact OG1-CB 3.27Å; T498-A500 WeakPolarHBondContact OG1-CB 3.28Å; T498-A500 PolarHBondContact OG1-N 2.79Å
499	A	87.4	Confident	92.1	Very high	53 Å²	53	34.4 Å²	34.4	44%	0.438	19%	0.192	S	C	.	.			trans	-94	-0.1	168.9	0	0	0	0	0	112.9	G534 Q535	A499-G534 PolarHBondContact O-N 3.17Å; A499-G534 VanDerWaalsContact O-N 3.1Å; A499-Q535 HydrophobicContact CB-CG 4.18Å
500	A	88.4	Confident	92.1	Very high	48 Å²	48	30.6 Å²	30.6	40%	0.397	17%	0.172	S	C	.	.	S	Bend	trans	-61.1	149.8	-176.4	0	0	0	0	0	112.3	R496 T498 Q502	R496-A500 PolarHBondContact NH1-O 2.75Å; R496-A500 PolarHBondContact NH2-O 3.17Å; T498-A500 HydrophobicContact CG2-CB 4.38Å; T498-A500 VanDerWaalsContact OG1-CB 3.27Å; T498-A500 WeakPolarHBondContact OG1-CB 3.28Å; T498-A500 PolarHBondContact OG1-N 2.79Å; A500-Q502 PolarHBondContact O-N 2.75Å
501	L	91.7	Very high	92	Very high	101 Å²	101	30.9 Å²	30.9	53%	0.529	17%	0.173	S	C	.	.			trans	-64.7	123.7	171.8	-171.3	71.5	0	0	0	108.7	Q531 I532 Q533	L501-Q531 HydrophobicContact CD1-CB 4.23Å; L501-I532 WeakPolarHBondContact CA-O 3.3Å; L501-Q533 HydrophobicContact CD1-CB 4.11Å
502	Q	92	Very high	91.7	Very high	16 Å²	16	29.2 Å²	29.2	8%	0.075	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	154.7	175.9	-63.3	-179.8	-65.2	0	0	109.6	A500 I532 I569 E571	A500-Q502 PolarHBondContact O-N 2.75Å; Q502-I532 PolarHBondContact N-O 2.74Å; Q502-I532 VanDerWaalsContact N-O 3.13Å; Q502-I532 WeakPolarHBondContact O-CG1 3.36Å; Q502-I532 PolarHBondContact O-N 3.23Å; Q502-I569 HydrophobicContact CB-CG2 4.23Å; Q502-I569 HydrophobicContact CG-CG2 4.49Å; Q502-E571 WeakPolarHBondContact CB-OE2 2.91Å
503	N	93.1	Very high	91.2	Very high	52 Å²	52	29.4 Å²	29.4	28%	0.278	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	131.7	171.8	-59.2	-79.3	0	0	0	109.1	Q531 V570 E571	N503-Q531 WeakPolarHBondContact OD1-CG 3.42Å; N503-Q531 PolarHBondContact OD1-NE2 3.01Å; N503-V570 HydrophobicContact CB-CB 4.06Å; N503-V570 HydrophobicContact CB-CG2 3.88Å; N503-V570 WeakPolarHBondContact O-CG2 3.46Å; N503-V570 PolarHBondContact O-N 3.42Å; N503-E571 PolarHBondContact N-OE1 2.73Å; N503-E571 PolarHBondContact N-OE2 3.04Å; N503-E571 PolarHBondContact ND2-OE1 3.14Å
504	V	93.7	Very high	90.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	132	172.7	69	0	0	0	0	109.8	L494 I506 T529 S530 I532 V539 A567 E568 I569	L494-V504 HydrophobicContact CD1-CB 4.38Å; L494-V504 HydrophobicContact CD1-CG1 4.15Å; L494-V504 HydrophobicContact CD1-CG2 3.86Å; V504-I506 HydrophobicContact CG1-CD1 4.18Å; V504-I506 HydrophobicContact CG1-CG1 4.25Å; V504-I506 HydrophobicContact CG2-CG1 4.02Å; V504-T529 WeakPolarHBondContact O-CA 3.35Å; V504-S530 WeakPolarHBondContact CG1-O 3.49Å; V504-S530 PolarHBondContact N-O 3.34Å; V504-S530 PolarHBondContact O-N 3.1Å; V504-I532 HydrophobicContact CB-CD1 3.94Å; V504-I532 HydrophobicContact CB-CG1 4.28Å; V504-I532 HydrophobicContact CG1-CD1 3.97Å; V504-I532 HydrophobicContact CG1-CG1 4.1Å; V504-I532 HydrophobicContact CG1-CG2 3.73Å; V504-V539 HydrophobicContact CG1-CG2 4.5Å; V504-A567 HydrophobicContact CG2-CB 4.12Å; V504-E568 WeakPolarHBondContact CA-O 3.2Å; V504-E568 WeakPolarHBondContact CG2-O 3.44Å; V504-I569 HydrophobicContact CB-CD1 4.16Å; V504-I569 HydrophobicContact CG2-CD1 4.1Å
505	N	95.1	Very high	90.2	Very high	51 Å²	51	29.2 Å²	29.2	27%	0.273	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	125.2	166.3	-72.7	-19.7	0	0	0	108.1	T529 A567 E568	N505-T529 VanDerWaalsContact OD1-CG2 3.31Å; N505-T529 WeakPolarHBondContact OD1-CG2 3.43Å; N505-T529 PolarHBondContact OD1-OG1 3.06Å; N505-A567 WeakPolarHBondContact O-CA 3.38Å; N505-E568 HydrophobicContact CB-CB 4.47Å; N505-E568 PolarHBondContact N-O 3.18Å; N505-E568 PolarHBondContact O-N 2.96Å
506	I	95	Very high	89.6	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.4	177.1	-61.3	173.1	0	0	0	108.1	V492 V504 N527 K528 V539 L541 I565 I566 A567	V492-I506 HydrophobicContact CB-CD1 4.31Å; V492-I506 HydrophobicContact CG1-CD1 4.25Å; V492-I506 HydrophobicContact CG2-CG2 4.23Å; V504-I506 HydrophobicContact CG1-CD1 4.18Å; V504-I506 HydrophobicContact CG1-CG1 4.25Å; V504-I506 HydrophobicContact CG2-CG1 4.02Å; I506-N527 CarbonylContact O-C 3.53Å; I506-N527 WeakPolarHBondContact O-CA 3.43Å; I506-K528 PolarHBondContact N-O 2.86Å; I506-K528 PolarHBondContact O-N 3.15Å; I506-V539 HydrophobicContact CD1-CB 3.47Å; I506-V539 VanDerWaalsContact CD1-CB 3.47Å; I506-V539 HydrophobicContact CD1-CG1 3.65Å; I506-V539 HydrophobicContact CD1-CG2 3.72Å; I506-L541 HydrophobicContact CG2-CD1 3.75Å; I506-L541 HydrophobicContact CG2-CG 4.38Å; I506-I565 HydrophobicContact CG2-CG2 3.54Å; I506-I566 VanDerWaalsContact CA-O 3.32Å; I506-I566 WeakPolarHBondContact CA-O 3.32Å; I506-A567 HydrophobicContact CG1-CB 4.34Å
507	S	94.9	Very high	89.1	Confident	24 Å²	24	25.5 Å²	25.5	17%	0.168	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132.8	176.9	-68.1	0	0	0	0	108.8	L526 N527 I565 I566	S507-L526 CarbonylContact C-O 3.53Å; S507-L526 WeakPolarHBondContact CA-O 3.35Å; S507-N527 WeakPolarHBondContact CA-OD1 3.29Å; S507-N527 WeakPolarHBondContact CB-OD1 3.4Å; S507-N527 PolarHBondContact OG-OD1 2.87Å; S507-I565 CarbonylContact O-C 3.55Å; S507-I565 WeakPolarHBondContact O-CA 3.33Å; S507-I566 PolarHBondContact N-O 3.04Å; S507-I566 PolarHBondContact O-N 2.84Å
508	G	94	Very high	88.8	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	125.8	179.4	0	0	0	0	0	111.9	D525 L526 F564	G508-D525 CarbonylContact O-C 3.53Å; G508-D525 WeakPolarHBondContact O-CA 3.44Å; G508-L526 PolarHBondContact N-O 2.79Å; G508-L526 PolarHBondContact O-N 2.9Å; G508-F564 VanDerWaalsContact CA-O 3.27Å; G508-F564 WeakPolarHBondContact CA-O 3.5Å
509	S	94.5	Very high	88.8	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.014	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126	172.7	-162.7	0	0	0	0	109.7	N311 D525 G563 F564	N311-S509 PolarHBondContact O-N 3.44Å; S509-D525 VanDerWaalsContact CB-OD1 3.3Å; S509-D525 WeakPolarHBondContact CB-OD1 3.35Å; S509-D525 PolarHBondContact OG-OD1 2.93Å; S509-G563 WeakPolarHBondContact O-CA 3.17Å; S509-F564 PolarHBondContact N-O 3.32Å; S509-F564 VanDerWaalsContact N-O 3.1Å; S509-F564 PolarHBondContact O-N 3.07Å; S509-F564 VanDerWaalsContact O-N 3.1Å
510	F	92.6	Very high	88.5	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	135	-176.6	-63.7	-90.5	0	0	0	110.9	F490 L523 C524 L526 I561 R562 I565 V580	F490-F510 AromaticContact CD1-CE1 3.97Å; F490-F510 HydrophobicContact CD1-CE1 3.97Å; F490-F510 HydrophobicContact CD2-CD1 4.46Å; F490-F510 AromaticContact CD2-CE1 3.52Å; F490-F510 HydrophobicContact CD2-CE1 3.52Å; F490-F510 AromaticContact CD2-CZ 3.64Å; F490-F510 HydrophobicContact CD2-CZ 3.64Å; F490-F510 HydrophobicContact CE1-CD1 4.36Å; F490-F510 AromaticContact CE1-CE1 3.72Å; F490-F510 HydrophobicContact CE1-CE1 3.72Å; F490-F510 AromaticContact CE2-CD1 3.78Å; F490-F510 HydrophobicContact CE2-CD1 3.78Å; F490-F510 AromaticContact CE2-CE1 3.24Å; F490-F510 HydrophobicContact CE2-CE1 3.24Å; F490-F510 AromaticContact CE2-CZ 3.79Å; F490-F510 HydrophobicContact CE2-CZ 3.79Å; F490-F510 AromaticContact CG-CE1 3.87Å; F490-F510 HydrophobicContact CG-CE1 3.87Å; F490-F510 HydrophobicContact CG-CZ 4.06Å; F490-F510 AromaticContact CZ-CD1 3.71Å; F490-F510 HydrophobicContact CZ-CD1 3.71Å; F490-F510 AromaticContact CZ-CE1 3.34Å; F490-F510 HydrophobicContact CZ-CE1 3.34Å; F490-F510 HydrophobicContact CZ-CZ 4.3Å; F510-L523 HydrophobicContact CB-CB 4.38Å; F510-L523 WeakPolarHBondContact O-CB 3.43Å; F510-L523 PolarHBondContact O-N 3.39Å; F510-C524 PolarHBondContact N-O 2.92Å; F510-C524 PolarHBondContact O-N 3.45Å; F510-L526 HydrophobicContact CD2-CD1 4.12Å; F510-L526 HydrophobicContact CD2-CG 4.12Å; F510-L526 HydrophobicContact CE2-CB 4.13Å; F510-L526 HydrophobicContact CE2-CD1 3.63Å; F510-L526 HydrophobicContact CE2-CG 3.89Å; F510-L526 HydrophobicContact CZ-CD1 4.33Å; F510-I561 HydrophobicContact CD1-CG2 4.42Å; F510-R562 WeakPolarHBondContact CA-O 3.27Å; F510-I565 HydrophobicContact CE1-CD1 4.49Å; F510-I565 HydrophobicContact CZ-CD1 3.95Å; F510-I565 HydrophobicContact CZ-CG1 4.23Å; F510-V580 HydrophobicContact CE1-CG1 4.2Å
511	E	90.3	Very high	88.4	Confident	5 Å²	5	26.1 Å²	26.1	2%	0.023	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	149.8	-174.6	-58.5	-177.8	164.2	0	0	110.9	Q513 K519 A521 I561 R562	E511-Q513 HydrophobicContact CB-CG 4.12Å; E511-Q513 PolarHBondContact OE2-NE2 2.94Å; E511-K519 HydrophobicContact CB-CG 4.48Å; E511-K519 HydrophobicContact CG-CD 4.4Å; E511-K519 WeakPolarHBondContact OE1-CD 3.4Å; E511-K519 WeakPolarHBondContact OE1-CE 3.46Å; E511-K519 IonicContact OE1-NZ 3.22Å; E511-K519 PolarHBondContact OE1-NZ 3.13Å; E511-K519 WeakPolarHBondContact OE2-CD 3.48Å; E511-A521 WeakPolarHBondContact CA-O 3.27Å; E511-I561 WeakPolarHBondContact O-CA 3.37Å; E511-R562 PolarHBondContact N-O 3Å; E511-R562 PolarHBondContact O-N 2.9Å
512	L	86.7	Confident	88.2	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	124.4	165.5	-166.3	62.8	0	0	0	108.4	V520 A521 L523 L552 L555 P559 I561	L512-V520 WeakPolarHBondContact O-CB 3.31Å; L512-V520 PolarHBondContact O-N 3.15Å; L512-A521 HydrophobicContact CB-CB 4.28Å; L512-A521 PolarHBondContact N-O 3.4Å; L512-A521 PolarHBondContact O-N 2.91Å; L512-L523 HydrophobicContact CB-CD1 4.42Å; L512-L523 HydrophobicContact CB-CD2 4.06Å; L512-L523 HydrophobicContact CB-CG 4.27Å; L512-L552 HydrophobicContact CD1-CD2 4.03Å; L512-L555 HydrophobicContact CD2-CD1 3.55Å; L512-L555 HydrophobicContact CG-CD1 4Å; L512-P559 HydrophobicContact CD1-CB 3.62Å; L512-P559 HydrophobicContact CG-CB 4.37Å; L512-I561 HydrophobicContact CD1-CG1 4.29Å
513	Q	85	Confident	88.1	Confident	4 Å²	4	25.5 Å²	25.5	2%	0.019	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	155.1	-177.3	-55	-166.2	-8.8	0	0	111.3	E511 G517 K518 V560 R562	E511-Q513 HydrophobicContact CB-CG 4.12Å; E511-Q513 PolarHBondContact OE2-NE2 2.94Å; Q513-G517 VanDerWaalsContact OE1-CA 3.24Å; Q513-G517 PolarHBondContact OE1-O 3.2Å; Q513-G517 VanDerWaalsContact OE1-O 3.14Å; Q513-K518 VanDerWaalsContact CA-O 3.24Å; Q513-K518 WeakPolarHBondContact CA-O 3.42Å; Q513-K518 WeakPolarHBondContact CB-O 3.48Å; Q513-V560 PolarHBondContact N-O 3.28Å; Q513-V560 PolarHBondContact O-N 2.83Å; Q513-R562 HydrophobicContact CG-CB 4.29Å; Q513-R562 VanDerWaalsContact OE1-CD 3.27Å
514	L	82.7	Confident	88	Confident	2 Å²	2	24.3 Å²	24.3	1%	0.01	13%	0.129	C	C	.	.			trans	-71.6	164.4	163	-58.9	177.5	0	0	0	109.6	W233 T516 G517 K518 V520 L555 D557	W233-L514 WeakPolarHBondContact O-CD1 3.39Å; L514-T516 PolarHBondContact O-N 2.86Å; L514-G517 PolarHBondContact O-N 3.13Å; L514-K518 HydrophobicContact CD1-CB 4.45Å; L514-K518 HydrophobicContact CD1-CD 4.41Å; L514-K518 PolarHBondContact N-O 2.86Å; L514-V520 HydrophobicContact CD2-CG2 4Å; L514-V520 HydrophobicContact CG-CG2 3.84Å; L514-L555 HydrophobicContact CD2-CD2 3.88Å; L514-D557 HydrophobicContact CD2-CB 3.86Å
515	Y	81.8	Confident	88	Confident	8 Å²	8	27 Å²	27	3%	0.031	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-17.6	179.9	82.1	-79.6	0	0	0	114.2	W233 Q267 C268 W269 W324 N325 F326 G517	W233-Y515 AromaticContact CD1-CE1 3.63Å; W233-Y515 AromaticContact CD1-CZ 3.93Å; W233-Y515 AromaticContact NE1-CE1 3.64Å; W233-Y515 AromaticContact NE1-CZ 3.44Å; W233-Y515 PolarHBondContact NE1-OH 2.71Å; Q267-Y515 WeakPolarHBondContact CB-OH 3.27Å; C268-Y515 PolarHBondContact N-OH 3.02Å; C268-Y515 PolarHBondContact SG-OH 2.98Å; W269-Y515 HydrophobicContact CH2-CE1 4.47Å; W269-Y515 HydrophobicContact CZ3-CD1 4.39Å; W269-Y515 AromaticContact CZ3-CE1 3.81Å; W269-Y515 HydrophobicContact CZ3-CE1 3.81Å; W269-Y515 HydrophobicContact CZ3-CE2 4.4Å; W269-Y515 AromaticContact CZ3-CZ 3.76Å; W324-Y515 WeakPolarHBondContact CA-O 3.24Å; W324-Y515 HydrophobicContact CE3-CD2 4.22Å; W324-Y515 AromaticContact CE3-CE2 3.51Å; W324-Y515 HydrophobicContact CE3-CE2 3.51Å; W324-Y515 AromaticContact CZ3-CE2 3.76Å; W324-Y515 HydrophobicContact CZ3-CE2 3.76Å; W324-Y515 AromaticContact CZ3-CZ 3.84Å; N325-Y515 PolarHBondContact N-O 3.24Å; F326-Y515 HydrophobicContact CD1-CD2 4.13Å; F326-Y515 AromaticContact CE1-CD2 3.76Å; F326-Y515 HydrophobicContact CE1-CD2 3.76Å; F326-Y515 HydrophobicContact CE1-CE2 4.5Å; F326-Y515 HydrophobicContact CE1-CG 4.06Å; F326-Y515 HydrophobicContact CE2-CD2 4.22Å; F326-Y515 HydrophobicContact CE2-CE2 4.18Å; F326-Y515 AromaticContact CZ-CD2 3.8Å; F326-Y515 HydrophobicContact CZ-CD2 3.8Å; F326-Y515 HydrophobicContact CZ-CE2 4.11Å; F326-Y515 HydrophobicContact CZ-CG 4.23Å; Y515-G517 VanDerWaalsContact C-N 3.27Å; Y515-G517 PolarHBondContact O-N 2.71Å
516	T	80.2	Confident	87.9	Confident	11 Å²	11	26.4 Å²	26.4	7%	0.067	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-4.1	174.8	62.7	0	0	0	0	114.3	W233 W324 L514 K518	W233-T516 HydrophobicContact CG-CG2 4.11Å; W324-T516 HydrophobicContact CD2-CG2 3.74Å; W324-T516 HydrophobicContact CE3-CG2 3.59Å; W324-T516 HydrophobicContact CH2-CG2 3.44Å; W324-T516 VanDerWaalsContact CH2-CG2 3.44Å; W324-T516 HydrophobicContact CZ2-CG2 3.6Å; W324-T516 HydrophobicContact CZ3-CG2 3.44Å; W324-T516 VanDerWaalsContact CZ3-CG2 3.44Å; L514-T516 PolarHBondContact O-N 2.86Å; T516-K518 VanDerWaalsContact C-N 3.35Å
517	G	78.8	Confident	87.9	Confident	8 Å²	8	31.1 Å²	31.1	8%	0.082	17%	0.165	C	C	.	.	S	Bend	trans	82.8	8.6	-175.5	0	0	0	0	0	114.4	Q513 L514 Y515	Q513-G517 VanDerWaalsContact OE1-CA 3.24Å; Q513-G517 PolarHBondContact OE1-O 3.2Å; Q513-G517 VanDerWaalsContact OE1-O 3.14Å; L514-G517 PolarHBondContact O-N 3.13Å; Y515-G517 VanDerWaalsContact C-N 3.27Å; Y515-G517 PolarHBondContact O-N 2.71Å
518	K	82.1	Confident	87.9	Confident	114 Å²	114	34.1 Å²	34.1	50%	0.496	18%	0.175	S	C	.	.			trans	-75.9	122.8	174.6	-175.9	179.7	177.2	-175.5	0	110.5	Q513 L514 T516 V520	Q513-K518 VanDerWaalsContact CA-O 3.24Å; Q513-K518 WeakPolarHBondContact CA-O 3.42Å; Q513-K518 WeakPolarHBondContact CB-O 3.48Å; L514-K518 HydrophobicContact CD1-CB 4.45Å; L514-K518 HydrophobicContact CD1-CD 4.41Å; L514-K518 PolarHBondContact N-O 2.86Å; T516-K518 VanDerWaalsContact C-N 3.35Å; K518-V520 PolarHBondContact O-N 2.84Å
519	K	84.4	Confident	87.9	Confident	62 Å²	62	38.6 Å²	38.6	27%	0.27	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	127.7	174.5	-175.7	178	-174.5	158.1	0	111.3	E313 E511	E313-K519 IonicContact OE1-NZ 3.96Å; E313-K519 PolarHBondContact OE1-NZ 3.03Å; E511-K519 HydrophobicContact CB-CG 4.48Å; E511-K519 HydrophobicContact CG-CD 4.4Å; E511-K519 WeakPolarHBondContact OE1-CD 3.4Å; E511-K519 WeakPolarHBondContact OE1-CE 3.46Å; E511-K519 IonicContact OE1-NZ 3.22Å; E511-K519 PolarHBondContact OE1-NZ 3.13Å; E511-K519 WeakPolarHBondContact OE2-CD 3.48Å
520	V	81.8	Confident	87.9	Confident	60 Å²	60	39.8 Å²	39.8	36%	0.364	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-50	171.1	-178.3	0	0	0	0	110.3	L512 L514 K518 L555	L512-V520 WeakPolarHBondContact O-CB 3.31Å; L512-V520 PolarHBondContact O-N 3.15Å; L514-V520 HydrophobicContact CD2-CG2 4Å; L514-V520 HydrophobicContact CG-CG2 3.84Å; K518-V520 PolarHBondContact O-N 2.84Å; V520-L555 HydrophobicContact CB-CD1 4.05Å; V520-L555 HydrophobicContact CB-CD2 4.41Å; V520-L555 HydrophobicContact CG1-CD1 3.75Å; V520-L555 HydrophobicContact CG1-CD2 3.8Å; V520-L555 HydrophobicContact CG1-CG 3.92Å; V520-L555 HydrophobicContact CG2-CD1 3.92Å; V520-L555 HydrophobicContact CG2-CD2 3.84Å; V520-L555 HydrophobicContact CG2-CG 4.44Å
521	A	85.3	Confident	87.9	Confident	28 Å²	28	46.3 Å²	46.3	23%	0.231	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	145.2	-178.2	0	0	0	0	0	110.8	E511 L512	E511-A521 WeakPolarHBondContact CA-O 3.27Å; L512-A521 HydrophobicContact CB-CB 4.28Å; L512-A521 PolarHBondContact N-O 3.4Å; L512-A521 PolarHBondContact O-N 2.91Å
522	K	88.8	Confident	88	Confident	82 Å²	82	46.3 Å²	46.3	36%	0.357	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	130.6	165.1	-174	171.6	-176.7	171.4	0	108.2	E313 D525	E313-K522 IonicContact OE1-NZ 2.66Å; E313-K522 IonicContact OE2-NZ 3.23Å; E313-K522 PolarHBondContact OE2-NZ 2.9Å; K522-D525 VanDerWaalsContact CE-CG 3.42Å; K522-D525 WeakPolarHBondContact CE-OD1 3.27Å; K522-D525 WeakPolarHBondContact CE-OD2 3.36Å; K522-D525 IonicContact NZ-OD1 2.78Å; K522-D525 PolarHBondContact NZ-OD1 2.99Å; K522-D525 IonicContact NZ-OD2 3.81Å; K522-D525 PolarHBondContact NZ-OD2 2.85Å
523	L	89.9	Confident	88.2	Confident	21 Å²	21	53.3 Å²	53.3	11%	0.11	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-62.2	179.9	-62	178.7	0	0	0	110.2	F510 L512 L543 T547 I561	F510-L523 HydrophobicContact CB-CB 4.38Å; F510-L523 WeakPolarHBondContact O-CB 3.43Å; F510-L523 PolarHBondContact O-N 3.39Å; L512-L523 HydrophobicContact CB-CD1 4.42Å; L512-L523 HydrophobicContact CB-CD2 4.06Å; L512-L523 HydrophobicContact CB-CG 4.27Å; L523-L543 HydrophobicContact CD1-CD2 4.46Å; L523-T547 HydrophobicContact CB-CG2 3.97Å; L523-T547 VanDerWaalsContact O-CG2 3.25Å; L523-T547 WeakPolarHBondContact O-CG2 3.45Å; L523-I561 HydrophobicContact CD1-CB 4.39Å; L523-I561 HydrophobicContact CD1-CD1 4.07Å; L523-I561 HydrophobicContact CD1-CG1 3.88Å; L523-I561 HydrophobicContact CD1-CG2 3.87Å
524	C	91.1	Very high	88.5	Confident	27 Å²	27	54.1 Å²	54.1	18%	0.182	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	166.4	175.8	65	0	0	0	0	111.7	F510 L543 T547	F510-C524 PolarHBondContact N-O 2.92Å; F510-C524 PolarHBondContact O-N 3.45Å; C524-L543 WeakPolarHBondContact SG-CD1 3.32Å; C524-T547 HydrophobicContact CB-CG2 3.92Å
525	D	93.3	Very high	88.9	Confident	57 Å²	57	59.8 Å²	59.8	31%	0.305	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.8	162.4	-57.4	-36.5	0	0	0	108.7	G508 S509 K522	G508-D525 CarbonylContact O-C 3.53Å; G508-D525 WeakPolarHBondContact O-CA 3.44Å; S509-D525 VanDerWaalsContact CB-OD1 3.3Å; S509-D525 WeakPolarHBondContact CB-OD1 3.35Å; S509-D525 PolarHBondContact OG-OD1 2.93Å; K522-D525 VanDerWaalsContact CE-CG 3.42Å; K522-D525 WeakPolarHBondContact CE-OD1 3.27Å; K522-D525 WeakPolarHBondContact CE-OD2 3.36Å; K522-D525 IonicContact NZ-OD1 2.78Å; K522-D525 PolarHBondContact NZ-OD1 2.99Å; K522-D525 IonicContact NZ-OD2 3.81Å; K522-D525 PolarHBondContact NZ-OD2 2.85Å
526	L	93.2	Very high	89.5	Confident	38 Å²	38	63.4 Å²	63.4	20%	0.199	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.3	176.4	-60.8	-177.3	0	0	0	109.2	S507 G508 F510 L541 T542	S507-L526 CarbonylContact C-O 3.53Å; S507-L526 WeakPolarHBondContact CA-O 3.35Å; G508-L526 PolarHBondContact N-O 2.79Å; G508-L526 PolarHBondContact O-N 2.9Å; F510-L526 HydrophobicContact CD2-CD1 4.12Å; F510-L526 HydrophobicContact CD2-CG 4.12Å; F510-L526 HydrophobicContact CE2-CB 4.13Å; F510-L526 HydrophobicContact CE2-CD1 3.63Å; F510-L526 HydrophobicContact CE2-CG 3.89Å; F510-L526 HydrophobicContact CZ-CD1 4.33Å; L526-L541 HydrophobicContact CB-CD1 4.48Å; L526-L541 HydrophobicContact CB-CD2 4.45Å; L526-L541 HydrophobicContact CD1-CB 4.08Å; L526-T542 WeakPolarHBondContact CD1-O 3.25Å
527	N	93.8	Very high	90.1	Very high	101 Å²	101	63.4 Å²	63.4	54%	0.54	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	135.4	177	-68.1	-48.7	0	0	0	109.9	I506 S507	I506-N527 CarbonylContact O-C 3.53Å; I506-N527 WeakPolarHBondContact O-CA 3.43Å; S507-N527 WeakPolarHBondContact CA-OD1 3.29Å; S507-N527 WeakPolarHBondContact CB-OD1 3.4Å; S507-N527 PolarHBondContact OG-OD1 2.87Å
528	K	94.7	Very high	90.9	Very high	86 Å²	86	69.3 Å²	69.3	37%	0.374	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	123.4	178.5	-173.5	168.7	175.5	175.3	0	110.7	I506 V539 T540 L541	I506-K528 PolarHBondContact N-O 2.86Å; I506-K528 PolarHBondContact O-N 3.15Å; K528-V539 HydrophobicContact CD-CG1 3.78Å; K528-V539 HydrophobicContact CG-CG1 4.39Å; K528-T540 PolarHBondContact NZ-O 2.98Å; K528-L541 HydrophobicContact CB-CD2 3.7Å; K528-L541 HydrophobicContact CD-CD2 4.03Å
529	T	95.1	Very high	91.5	Very high	95 Å²	95	64.3 Å²	64.3	58%	0.583	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	136.8	166.6	-57.7	0	0	0	0	108.7	V504 N505	V504-T529 WeakPolarHBondContact O-CA 3.35Å; N505-T529 VanDerWaalsContact OD1-CG2 3.31Å; N505-T529 WeakPolarHBondContact OD1-CG2 3.43Å; N505-T529 PolarHBondContact OD1-OG1 3.06Å
530	S	93.6	Very high	91.9	Very high	27 Å²	27	63.9 Å²	63.9	19%	0.189	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	145.9	179.7	-69.3	0	0	0	0	111.1	V504	V504-S530 WeakPolarHBondContact CG1-O 3.49Å; V504-S530 PolarHBondContact N-O 3.34Å; V504-S530 PolarHBondContact O-N 3.1Å
531	Q	93.8	Very high	92.4	Very high	136 Å²	136	61.4 Å²	61.4	64%	0.636	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	124.7	168.1	-79.5	-176.6	-9.3	0	0	109	L501 N503	L501-Q531 HydrophobicContact CD1-CB 4.23Å; N503-Q531 WeakPolarHBondContact OD1-CG 3.42Å; N503-Q531 PolarHBondContact OD1-NE2 3.01Å
532	I	92	Very high	92.7	Very high	6 Å²	6	63.6 Å²	63.6	3%	0.031	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.6	-178.1	55.8	167.1	0	0	0	110.8	L494 R496 L501 Q502 V504 V539 I569	L494-I532 HydrophobicContact CD1-CD1 3.82Å; R496-I532 PolarHBondContact NH2-O 3.1Å; R496-I532 VanDerWaalsContact NH2-O 3.17Å; L501-I532 WeakPolarHBondContact CA-O 3.3Å; Q502-I532 PolarHBondContact N-O 2.74Å; Q502-I532 VanDerWaalsContact N-O 3.13Å; Q502-I532 WeakPolarHBondContact O-CG1 3.36Å; Q502-I532 PolarHBondContact O-N 3.23Å; V504-I532 HydrophobicContact CB-CD1 3.94Å; V504-I532 HydrophobicContact CB-CG1 4.28Å; V504-I532 HydrophobicContact CG1-CD1 3.97Å; V504-I532 HydrophobicContact CG1-CG1 4.1Å; V504-I532 HydrophobicContact CG1-CG2 3.73Å; I532-V539 HydrophobicContact CG2-CG2 3.94Å; I532-I569 HydrophobicContact CD1-CD1 4.02Å
533	Q	90.9	Very high	92.8	Very high	146 Å²	146	59.8 Å²	59.8	68%	0.682	32%	0.319	S	S	*	.			trans	-131.6	148	179.8	-169.3	177.8	12.9	0	0	109.9	L501 S537	L501-Q533 HydrophobicContact CD1-CB 4.11Å; Q533-S537 PolarHBondContact O-OG 3.05Å
534	G	90.4	Very high	92.8	Very high	22 Å²	22	62.3 Å²	62.3	23%	0.227	33%	0.333	C	S	.	.	S	Bend	trans	89.7	165.9	-176.8	0	0	0	0	0	113.2	R496 A499 V536	R496-G534 PolarHBondContact NH2-O 2.9Å; A499-G534 PolarHBondContact O-N 3.17Å; A499-G534 VanDerWaalsContact O-N 3.1Å; G534-V536 VanDerWaalsContact C-N 3.28Å
535	Q	91.8	Very high	92.7	Very high	120 Å²	120	61.9 Å²	61.9	56%	0.561	33%	0.331	S	S	*	.	S	Bend	trans	-73.3	-22.5	-179.4	-70.1	-178.3	-39.1	0	0	112.8	K495 R496 K497 A499	K495-Q535 CarbonylContact C-O 3.58Å; K495-Q535 WeakPolarHBondContact CA-O 3.05Å; R496-Q535 PolarHBondContact N-O 2.82Å; K497-Q535 PolarHBondContact O-NE2 2.91Å; A499-Q535 HydrophobicContact CB-CG 4.18Å
536	V	94.1	Very high	92.3	Very high	84 Å²	84	66.7 Å²	66.7	51%	0.509	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.4	172.3	-173.8	0	0	0	0	107.3	I493 L494 K495 G534	I493-V536 HydrophobicContact CG2-CG1 3.96Å; L494-V536 WeakPolarHBondContact O-CA 3.36Å; K495-V536 HydrophobicContact CG-CG2 4.32Å; G534-V536 VanDerWaalsContact C-N 3.28Å
537	S	93.9	Very high	91.9	Very high	11 Å²	11	67.1 Å²	67.1	8%	0.077	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	148.9	178.6	-51.3	0	0	0	0	109.8	L494 Q533	L494-S537 PolarHBondContact N-O 2.82Å; L494-S537 PolarHBondContact O-N 2.81Å; Q533-S537 PolarHBondContact O-OG 3.05Å
538	E	94.7	Very high	91.5	Very high	133 Å²	133	62.3 Å²	62.3	62%	0.621	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121	136.1	-178	-61.3	-175.5	174.9	0	0	110.5	T491 V492 I493	T491-E538 HydrophobicContact CG2-CB 4.15Å; T491-E538 HydrophobicContact CG2-CG 4.37Å; V492-E538 CarbonylContact O-C 3.56Å; V492-E538 WeakPolarHBondContact O-CA 3.25Å; I493-E538 HydrophobicContact CG1-CG 4.28Å
539	V	94.3	Very high	90.9	Very high	8 Å²	8	60.2 Å²	60.2	5%	0.048	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	123.2	172.8	-174.5	0	0	0	0	109.3	V492 V504 I506 K528 I532	V492-V539 WeakPolarHBondContact CB-O 3.47Å; V492-V539 PolarHBondContact N-O 3.47Å; V492-V539 PolarHBondContact O-N 3Å; V504-V539 HydrophobicContact CG1-CG2 4.5Å; I506-V539 HydrophobicContact CD1-CB 3.47Å; I506-V539 VanDerWaalsContact CD1-CB 3.47Å; I506-V539 HydrophobicContact CD1-CG1 3.65Å; I506-V539 HydrophobicContact CD1-CG2 3.72Å; K528-V539 HydrophobicContact CD-CG1 3.78Å; K528-V539 HydrophobicContact CG-CG1 4.39Å; I532-V539 HydrophobicContact CG2-CG2 3.94Å
540	T	93.6	Very high	90	Very high	54 Å²	54	61.5 Å²	61.5	33%	0.331	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	135.1	178.6	-48.5	0	0	0	0	111.7	N489 F490 K528	N489-T540 HydrophobicContact CB-CG2 4.06Å; F490-T540 CarbonylContact O-C 3.58Å; F490-T540 WeakPolarHBondContact O-CA 3.33Å; K528-T540 PolarHBondContact NZ-O 2.98Å
541	L	92.8	Very high	89.1	Confident	8 Å²	8	61.3 Å²	61.3	4%	0.042	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	140.3	164.6	-62.5	177	0	0	0	108.9	N489 F490 V492 I506 L526 K528 I565	N489-L541 WeakPolarHBondContact CA-O 3.36Å; F490-L541 HydrophobicContact CB-CB 4.38Å; F490-L541 PolarHBondContact N-O 2.78Å; F490-L541 PolarHBondContact O-N 3.02Å; V492-L541 HydrophobicContact CG2-CD1 4.49Å; I506-L541 HydrophobicContact CG2-CD1 3.75Å; I506-L541 HydrophobicContact CG2-CG 4.38Å; L526-L541 HydrophobicContact CB-CD1 4.48Å; L526-L541 HydrophobicContact CB-CD2 4.45Å; L526-L541 HydrophobicContact CD1-CB 4.08Å; K528-L541 HydrophobicContact CB-CD2 3.7Å; K528-L541 HydrophobicContact CD-CD2 4.03Å; L541-I565 HydrophobicContact CD1-CD1 4.12Å; L541-I565 HydrophobicContact CD1-CG2 4.21Å
542	T	91.9	Very high	88	Confident	74 Å²	74	55.2 Å²	55.2	45%	0.454	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.1	-178.2	-59.2	0	0	0	0	110.4	P487 V488 N489 L526	P487-T542 HydrophobicContact CB-CG2 4.25Å; V488-T542 WeakPolarHBondContact O-CA 3.37Å; N489-T542 WeakPolarHBondContact OD1-CB 3.47Å; N489-T542 VanDerWaalsContact OD1-CG2 3.25Å; N489-T542 WeakPolarHBondContact OD1-CG2 3.42Å; N489-T542 PolarHBondContact OD1-OG1 2.99Å; L526-T542 WeakPolarHBondContact CD1-O 3.25Å
543	L	90.7	Very high	86.7	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	115.3	172.7	179.3	69	0	0	0	109.3	P487 V488 F490 L523 C524 T547 Y548 I561	P487-L543 CarbonylContact C-O 3.58Å; P487-L543 VanDerWaalsContact CA-O 3.31Å; P487-L543 WeakPolarHBondContact CA-O 3.46Å; V488-L543 HydrophobicContact CB-CB 4.36Å; V488-L543 PolarHBondContact N-O 2.69Å; V488-L543 PolarHBondContact O-N 2.9Å; F490-L543 HydrophobicContact CE2-CB 3.85Å; F490-L543 HydrophobicContact CE2-CD2 4.33Å; L523-L543 HydrophobicContact CD1-CD2 4.46Å; C524-L543 WeakPolarHBondContact SG-CD1 3.32Å; L543-T547 HydrophobicContact CD1-CG2 3.88Å; L543-Y548 HydrophobicContact CD2-CD1 4.13Å; L543-Y548 HydrophobicContact CG-CD1 4.41Å; L543-I561 HydrophobicContact CD2-CD1 3.89Å; L543-I561 HydrophobicContact CD2-CG2 4.01Å
544	D	89.8	Confident	85.5	Confident	74 Å²	74	57.6 Å²	57.6	40%	0.396	32%	0.319	S	S	.	.			trans	-64.3	144.3	175.9	-170	-81.1	0	0	0	111.2	K546 T547	D544-K546 VanDerWaalsContact C-N 3.29Å; D544-K546 PolarHBondContact O-N 2.81Å; D544-K546 WeakPolarHBondContact OD1-CB 3.02Å; D544-K546 VanDerWaalsContact OD1-CG 3.29Å; D544-K546 WeakPolarHBondContact OD1-CG 2.88Å; D544-K546 PolarHBondContact OD1-N 3.07Å; D544-T547 VanDerWaalsContact O-CB 3.31Å; D544-T547 WeakPolarHBondContact O-CB 3.36Å; D544-T547 PolarHBondContact O-N 2.92Å; D544-T547 PolarHBondContact O-OG1 3.01Å
545	S	88.1	Confident	84.5	Confident	19 Å²	19	56.9 Å²	56.9	13%	0.133	31%	0.31	C	S	.	.	H	α-helix	trans	-68	-28.6	-176.4	65.4	0	0	0	0	113.8	G485 T547 Y548 I549	G485-S545 WeakPolarHBondContact O-CB 3.22Å; G485-S545 PolarHBondContact O-OG 3.2Å; S545-T547 PolarHBondContact O-N 2.93Å; S545-Y548 VanDerWaalsContact CA-CE1 3.46Å; S545-Y548 PolarHBondContact O-N 2.81Å; S545-I549 WeakPolarHBondContact O-CB 3.36Å; S545-I549 WeakPolarHBondContact O-CD1 3.16Å; S545-I549 WeakPolarHBondContact O-CG1 3.49Å; S545-I549 PolarHBondContact O-N 2.95Å
546	K	86	Confident	83.5	Confident	158 Å²	158	54.5 Å²	54.5	69%	0.687	30%	0.301	S	S	*	.	H	α-helix	trans	-61.5	-27.8	176.5	-64.1	170.9	-177.9	171.1	0	112.2	D544 Y548	D544-K546 VanDerWaalsContact C-N 3.29Å; D544-K546 PolarHBondContact O-N 2.81Å; D544-K546 WeakPolarHBondContact OD1-CB 3.02Å; D544-K546 VanDerWaalsContact OD1-CG 3.29Å; D544-K546 WeakPolarHBondContact OD1-CG 2.88Å; D544-K546 PolarHBondContact OD1-N 3.07Å; K546-Y548 VanDerWaalsContact C-N 3.28Å; K546-Y548 PolarHBondContact O-N 2.98Å
547	T	84.9	Confident	82.6	Confident	46 Å²	46	50.8 Å²	50.8	28%	0.282	28%	0.279	S	S	.	.	H	α-helix	trans	-65	-33.2	-179	-48.1	0	0	0	0	111.9	L523 C524 L543 D544 S545	L523-T547 HydrophobicContact CB-CG2 3.97Å; L523-T547 VanDerWaalsContact O-CG2 3.25Å; L523-T547 WeakPolarHBondContact O-CG2 3.45Å; C524-T547 HydrophobicContact CB-CG2 3.92Å; L543-T547 HydrophobicContact CD1-CG2 3.88Å; D544-T547 VanDerWaalsContact O-CB 3.31Å; D544-T547 WeakPolarHBondContact O-CB 3.36Å; D544-T547 PolarHBondContact O-N 2.92Å; D544-T547 PolarHBondContact O-OG1 3.01Å; S545-T547 PolarHBondContact O-N 2.93Å
548	Y	84.3	Confident	81.5	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-109.1	-31	-176.6	69.5	-106.2	0	0	0	114	L484 G485 N486 V488 L543 S545 K546 N550 S551 L552 I561 F584	L484-Y548 HydrophobicContact CD1-CE2 4.17Å; G485-Y548 WeakPolarHBondContact CA-OH 3.39Å; G485-Y548 PolarHBondContact N-OH 2.82Å; N486-Y548 PolarHBondContact N-OH 2.89Å; N486-Y548 VanDerWaalsContact N-OH 3.13Å; N486-Y548 PolarHBondContact O-OH 3.2Å; V488-Y548 HydrophobicContact CG2-CE1 4.04Å; L543-Y548 HydrophobicContact CD2-CD1 4.13Å; L543-Y548 HydrophobicContact CG-CD1 4.41Å; S545-Y548 VanDerWaalsContact CA-CE1 3.46Å; S545-Y548 PolarHBondContact O-N 2.81Å; K546-Y548 VanDerWaalsContact C-N 3.28Å; K546-Y548 PolarHBondContact O-N 2.98Å; Y548-N550 VanDerWaalsContact C-N 3.27Å; Y548-N550 PolarHBondContact O-N 2.81Å; Y548-N550 VanDerWaalsContact O-N 3.17Å; Y548-S551 PolarHBondContact O-N 3.01Å; Y548-L552 HydrophobicContact CD2-CD1 3.72Å; Y548-L552 HydrophobicContact CD2-CD2 4.45Å; Y548-L552 HydrophobicContact CD2-CG 4.17Å; Y548-L552 HydrophobicContact CE2-CD1 3.98Å; Y548-L552 WeakPolarHBondContact O-CG 3.36Å; Y548-L552 PolarHBondContact O-N 2.94Å; Y548-I561 HydrophobicContact CD1-CD1 3.63Å; Y548-I561 HydrophobicContact CD2-CD1 4.22Å; Y548-I561 HydrophobicContact CE1-CD1 4.24Å; Y548-I561 HydrophobicContact CG-CD1 3.61Å; Y548-F584 HydrophobicContact CD2-CE1 4.47Å; Y548-F584 AromaticContact CD2-CZ 3.87Å; Y548-F584 HydrophobicContact CD2-CZ 3.87Å; Y548-F584 AromaticContact CE2-CE1 3.79Å; Y548-F584 HydrophobicContact CE2-CE1 3.79Å; Y548-F584 AromaticContact CE2-CZ 3.63Å; Y548-F584 HydrophobicContact CE2-CZ 3.63Å; Y548-F584 HydrophobicContact CG-CZ 4.48Å; Y548-F584 AromaticContact CZ-CE1 3.82Å
549	I	81.7	Confident	80.5	Confident	42 Å²	42	46 Å²	46	22%	0.215	26%	0.256	C	S	.	.	H	α-helix	trans	-52.9	-43.9	-174.1	-75.5	164.3	0	0	0	112.5	S545 S551 L552 I615	S545-I549 WeakPolarHBondContact O-CB 3.36Å; S545-I549 WeakPolarHBondContact O-CD1 3.16Å; S545-I549 WeakPolarHBondContact O-CG1 3.49Å; S545-I549 PolarHBondContact O-N 2.95Å; I549-S551 VanDerWaalsContact C-N 3.26Å; I549-S551 PolarHBondContact O-N 2.85Å; I549-L552 PolarHBondContact O-N 3.14Å; I549-I615 HydrophobicContact CD1-CG2 4Å
550	N	76.3	Confident	79.9	Confident	122 Å²	122	46.3 Å²	46.3	65%	0.652	26%	0.258	S	S	*	.	H	α-helix	trans	-66.4	-29.9	-177.5	-67.7	-22.4	0	0	0	112.6	Y548	Y548-N550 VanDerWaalsContact C-N 3.27Å; Y548-N550 PolarHBondContact O-N 2.81Å; Y548-N550 VanDerWaalsContact O-N 3.17Å
551	S	75.4	Confident	79.6	Confident	24 Å²	24	43.8 Å²	43.8	17%	0.168	24%	0.242	C	C	.	.	H	α-helix	trans	-81.3	-21.4	179.9	-56.2	0	0	0	0	112.8	Y548 I549 A553 I554	Y548-S551 PolarHBondContact O-N 3.01Å; I549-S551 VanDerWaalsContact C-N 3.26Å; I549-S551 PolarHBondContact O-N 2.85Å; S551-A553 VanDerWaalsContact C-N 3.35Å; S551-A553 PolarHBondContact O-N 3.1Å; S551-I554 PolarHBondContact O-N 2.93Å
552	L	70.9	Confident	79.4	Confident	7 Å²	7	43.7 Å²	43.7	4%	0.037	24%	0.241	C	C	.	.	H	α-helix	trans	-69	-32.3	179.3	-58.9	174	0	0	0	113	L484 L512 Y548 I549 I554 L555 P559 F584	L484-L552 HydrophobicContact CD1-CD1 3.23Å; L484-L552 HydrophobicContact CD2-CD1 4.47Å; L484-L552 HydrophobicContact CG-CD1 4.19Å; L512-L552 HydrophobicContact CD1-CD2 4.03Å; Y548-L552 HydrophobicContact CD2-CD1 3.72Å; Y548-L552 HydrophobicContact CD2-CD2 4.45Å; Y548-L552 HydrophobicContact CD2-CG 4.17Å; Y548-L552 HydrophobicContact CE2-CD1 3.98Å; Y548-L552 WeakPolarHBondContact O-CG 3.36Å; Y548-L552 PolarHBondContact O-N 2.94Å; I549-L552 PolarHBondContact O-N 3.14Å; L552-I554 PolarHBondContact O-N 2.91Å; L552-L555 PolarHBondContact O-N 2.89Å; L552-P559 HydrophobicContact CD2-CB 3.54Å; L552-P559 HydrophobicContact CD2-CG 3.29Å; L552-F584 HydrophobicContact CD2-CE2 4.28Å
553	A	64	Low	79.3	Confident	71 Å²	71	40.2 Å²	40.2	59%	0.587	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-12.5	-179.4	0	0	0	0	0	113.5	S551	S551-A553 VanDerWaalsContact C-N 3.35Å; S551-A553 PolarHBondContact O-N 3.1Å
554	I	66.4	Low	79.4	Confident	131 Å²	131	40.4 Å²	40.4	67%	0.672	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-17.2	-175.8	-51.1	175.9	0	0	0	111.1	S551 L552	S551-I554 PolarHBondContact O-N 2.93Å; L552-I554 PolarHBondContact O-N 2.91Å
555	L	69.2	Low	79.6	Confident	7 Å²	7	36.9 Å²	36.9	4%	0.037	20%	0.202	C	C	.	.			trans	-110.1	137.2	-174.1	-76.8	159.7	0	0	0	111.6	L512 L514 V520 L552 K672	L512-L555 HydrophobicContact CD2-CD1 3.55Å; L512-L555 HydrophobicContact CG-CD1 4Å; L514-L555 HydrophobicContact CD2-CD2 3.88Å; V520-L555 HydrophobicContact CB-CD1 4.05Å; V520-L555 HydrophobicContact CB-CD2 4.41Å; V520-L555 HydrophobicContact CG1-CD1 3.75Å; V520-L555 HydrophobicContact CG1-CD2 3.8Å; V520-L555 HydrophobicContact CG1-CG 3.92Å; V520-L555 HydrophobicContact CG2-CD1 3.92Å; V520-L555 HydrophobicContact CG2-CD2 3.84Å; V520-L555 HydrophobicContact CG2-CG 4.44Å; L552-L555 PolarHBondContact O-N 2.89Å; L555-K672 WeakPolarHBondContact O-CE 3.37Å; L555-K672 PolarHBondContact O-NZ 3.46Å
556	D	71.3	Confident	79.9	Confident	70 Å²	70	36.5 Å²	36.5	37%	0.374	20%	0.198	S	C	.	.	S	Bend	trans	-84.9	-13.2	169.4	-88.4	-18.8	0	0	0	113.7	Y237 Y244 K672	Y237-D556 HydrophobicContact CD2-CB 3.78Å; Y237-D556 HydrophobicContact CE2-CB 3.89Å; Y244-D556 WeakPolarHBondContact CD1-O 3.4Å; Y244-D556 HydrophobicContact CE1-CB 4.28Å; Y244-D556 WeakPolarHBondContact CE1-O 3.34Å; D556-K672 VanDerWaalsContact O-CD 3.3Å; D556-K672 WeakPolarHBondContact O-CD 3.36Å; D556-K672 WeakPolarHBondContact O-CE 3.19Å; D556-K672 IonicContact OD1-NZ 2.64Å
557	D	73.9	Confident	80.2	Confident	6 Å²	6	29 Å²	29	3%	0.032	17%	0.165	C	C	.	.	S	Bend	trans	-90.5	171.6	179.9	-142.1	-30.8	0	0	0	113.8	Y237 Q267 L514 P559 K672	Y237-D557 PolarHBondContact OH-OD2 2.82Å; Q267-D557 PolarHBondContact NE2-OD2 2.79Å; L514-D557 HydrophobicContact CD2-CB 3.86Å; D557-P559 VanDerWaalsContact O-CD 3.28Å; D557-P559 WeakPolarHBondContact O-CD 3.15Å; D557-K672 VanDerWaalsContact O-CE 3.31Å; D557-K672 WeakPolarHBondContact O-CE 3.33Å
558	E	72.4	Confident	80.6	Confident	38 Å²	38	28.9 Å²	28.9	18%	0.178	16%	0.162	C	C	.	.			trans	-72.5	114.6	172.3	-170.1	173	-176.3	0	0	109.9	K175	K175-E558 IonicContact NZ-OE1 3.11Å; K175-E558 PolarHBondContact NZ-OE1 3.47Å
559	P	72.6	Confident	80.9	Confident	7 Å²	7	28.9 Å²	28.9	5%	0.045	16%	0.162	C	C	.	.			trans	-79.4	141.8	-175.8	27.3	-28	0	0	0	111.7	L512 L552 D557	L512-P559 HydrophobicContact CD1-CB 3.62Å; L512-P559 HydrophobicContact CG-CB 4.37Å; L552-P559 HydrophobicContact CD2-CB 3.54Å; L552-P559 HydrophobicContact CD2-CG 3.29Å; D557-P559 VanDerWaalsContact O-CD 3.28Å; D557-P559 WeakPolarHBondContact O-CD 3.15Å
560	V	82.3	Confident	81.3	Confident	14 Å²	14	29 Å²	29	9%	0.085	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.1	170.7	177.8	0	0	0	0	109.3	N325 Q513 F581	N325-V560 WeakPolarHBondContact ND2-CG2 3.22Å; Q513-V560 PolarHBondContact N-O 3.28Å; Q513-V560 PolarHBondContact O-N 2.83Å; V560-F581 HydrophobicContact CG1-CB 4.01Å
561	I	87.7	Confident	81.9	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	125.1	168	-60.4	179.7	0	0	0	107	F510 E511 L512 L523 L543 Y548 F581 V582 F584	F510-I561 HydrophobicContact CD1-CG2 4.42Å; E511-I561 WeakPolarHBondContact O-CA 3.37Å; L512-I561 HydrophobicContact CD1-CG1 4.29Å; L523-I561 HydrophobicContact CD1-CB 4.39Å; L523-I561 HydrophobicContact CD1-CD1 4.07Å; L523-I561 HydrophobicContact CD1-CG1 3.88Å; L523-I561 HydrophobicContact CD1-CG2 3.87Å; L543-I561 HydrophobicContact CD2-CD1 3.89Å; L543-I561 HydrophobicContact CD2-CG2 4.01Å; Y548-I561 HydrophobicContact CD1-CD1 3.63Å; Y548-I561 HydrophobicContact CD2-CD1 4.22Å; Y548-I561 HydrophobicContact CE1-CD1 4.24Å; Y548-I561 HydrophobicContact CG-CD1 3.61Å; I561-F581 CarbonylContact O-C 3.57Å; I561-F581 WeakPolarHBondContact O-CA 3.42Å; I561-V582 HydrophobicContact CB-CB 4.04Å; I561-V582 HydrophobicContact CB-CG2 3.94Å; I561-V582 HydrophobicContact CG2-CG2 4.07Å; I561-V582 PolarHBondContact O-N 3.13Å; I561-F584 HydrophobicContact CD1-CE2 4.24Å; I561-F584 HydrophobicContact CD1-CZ 3.6Å; I561-F584 HydrophobicContact CG1-CE2 4.22Å; I561-F584 HydrophobicContact CG1-CZ 4.08Å
562	R	88.6	Confident	82.4	Confident	6 Å²	6	28.6 Å²	28.6	2%	0.023	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	139.3	175.4	-167.3	174.7	-93	-142	12.7	109.2	V323 N325 F510 E511 Q513 E579 V580 F581	V323-R562 PolarHBondContact O-NH1 2.78Å; V323-R562 PolarHBondContact O-NH2 3.03Å; N325-R562 PolarHBondContact OD1-NH2 3.02Å; F510-R562 WeakPolarHBondContact CA-O 3.27Å; E511-R562 PolarHBondContact N-O 3Å; E511-R562 PolarHBondContact O-N 2.9Å; Q513-R562 HydrophobicContact CG-CB 4.29Å; Q513-R562 VanDerWaalsContact OE1-CD 3.27Å; R562-E579 WeakPolarHBondContact CD-OE1 3.4Å; R562-E579 HydrophobicContact CG-CG 3.83Å; R562-E579 IonicContact CZ-OE1 3.62Å; R562-E579 IonicContact CZ-OE2 2.81Å; R562-E579 IonicContact NE-OE1 3.49Å; R562-E579 IonicContact NE-OE2 3.86Å; R562-E579 IonicContact NH1-OE1 3.25Å; R562-E579 PolarHBondContact NH1-OE1 2.94Å; R562-E579 IonicContact NH1-OE2 2.73Å; R562-E579 PolarHBondContact NH1-OE2 2.9Å; R562-V580 CarbonylContact C-O 3.57Å; R562-V580 WeakPolarHBondContact CA-O 3.25Å; R562-F581 HydrophobicContact CG-CB 4.49Å
563	G	90	Very high	83.2	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	140.3	178.5	0	0	0	0	0	111.3	S509 E579 V580	S509-G563 WeakPolarHBondContact O-CA 3.17Å; G563-E579 CarbonylContact O-C 3.58Å; G563-E579 WeakPolarHBondContact O-CA 3.34Å; G563-V580 PolarHBondContact N-O 2.76Å; G563-V580 PolarHBondContact O-N 3.46Å
564	F	91.4	Very high	84.4	Confident	6 Å²	6	32.2 Å²	32.2	3%	0.026	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	121.6	166.7	-81.2	-91.9	0	0	0	107.9	T306 V308 G312 R393 I395 G508 S509 E579	T306-F564 HydrophobicContact CG2-CE1 3.72Å; T306-F564 HydrophobicContact CG2-CE2 4.3Å; T306-F564 HydrophobicContact CG2-CZ 3.47Å; T306-F564 VanDerWaalsContact CG2-CZ 3.47Å; V308-F564 HydrophobicContact CG1-CB 4.35Å; V308-F564 HydrophobicContact CG1-CD1 3.92Å; V308-F564 HydrophobicContact CG1-CD2 4.48Å; V308-F564 HydrophobicContact CG1-CE1 4.33Å; V308-F564 HydrophobicContact CG1-CG 4Å; G312-F564 WeakPolarHBondContact O-CB 3.47Å; R393-F564 VanDerWaalsContact NH2-CZ 3.26Å; I395-F564 HydrophobicContact CD1-CE1 4.33Å; G508-F564 VanDerWaalsContact CA-O 3.27Å; G508-F564 WeakPolarHBondContact CA-O 3.5Å; S509-F564 PolarHBondContact N-O 3.32Å; S509-F564 VanDerWaalsContact N-O 3.1Å; S509-F564 PolarHBondContact O-N 3.07Å; S509-F564 VanDerWaalsContact O-N 3.1Å; F564-E579 HydrophobicContact CD1-CB 4.13Å; F564-E579 HydrophobicContact CD1-CG 4.42Å; F564-E579 HydrophobicContact CD2-CG 4.4Å; F564-E579 HydrophobicContact CE1-CB 3.88Å; F564-E579 HydrophobicContact CE1-CG 4.1Å; F564-E579 HydrophobicContact CE2-CG 4.07Å; F564-E579 WeakPolarHBondContact CE2-OE1 3.42Å; F564-E579 HydrophobicContact CZ-CB 4.19Å; F564-E579 HydrophobicContact CZ-CG 3.91Å; F564-E579 WeakPolarHBondContact CZ-OE1 3.37Å
565	I	94	Very high	85.5	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.5	-178.6	-50.1	-171.9	0	0	0	108.1	M475 V477 F490 V492 I506 S507 F510 L541 A577 S578 V580	M475-I565 HydrophobicContact CE-CB 3.87Å; M475-I565 HydrophobicContact CE-CG2 3.77Å; M475-I565 WeakPolarHBondContact CE-O 3.44Å; V477-I565 HydrophobicContact CB-CD1 4.33Å; V477-I565 HydrophobicContact CG1-CD1 3.52Å; V477-I565 HydrophobicContact CG2-CB 4.09Å; V477-I565 HydrophobicContact CG2-CD1 3.93Å; V477-I565 HydrophobicContact CG2-CG1 4.32Å; F490-I565 HydrophobicContact CB-CD1 4.19Å; V492-I565 HydrophobicContact CG2-CD1 4.15Å; V492-I565 HydrophobicContact CG2-CG2 3.95Å; I506-I565 HydrophobicContact CG2-CG2 3.54Å; S507-I565 CarbonylContact O-C 3.55Å; S507-I565 WeakPolarHBondContact O-CA 3.33Å; F510-I565 HydrophobicContact CE1-CD1 4.49Å; F510-I565 HydrophobicContact CZ-CD1 3.95Å; F510-I565 HydrophobicContact CZ-CG1 4.23Å; L541-I565 HydrophobicContact CD1-CD1 4.12Å; L541-I565 HydrophobicContact CD1-CG2 4.21Å; I565-A577 WeakPolarHBondContact O-CA 3.32Å; I565-S578 PolarHBondContact N-O 2.78Å; I565-S578 PolarHBondContact O-N 2.81Å; I565-V580 HydrophobicContact CD1-CG1 4.06Å; I565-V580 HydrophobicContact CG1-CG1 4.35Å
566	I	94.1	Very high	86.5	Confident	10 Å²	10	27.2 Å²	27.2	5%	0.051	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.7	175.6	-58.1	-173.6	0	0	0	108.2	V308 N309 L397 I410 I506 S507 I575 M576 A577	V308-I566 HydrophobicContact CG2-CD1 4.16Å; N309-I566 WeakPolarHBondContact O-CD1 2.94Å; L397-I566 HydrophobicContact CD1-CD1 4.16Å; I410-I566 HydrophobicContact CD1-CD1 4.49Å; I506-I566 VanDerWaalsContact CA-O 3.32Å; I506-I566 WeakPolarHBondContact CA-O 3.32Å; S507-I566 PolarHBondContact N-O 3.04Å; S507-I566 PolarHBondContact O-N 2.84Å; I566-I575 HydrophobicContact CG2-CG2 3.45Å; I566-I575 VanDerWaalsContact CG2-CG2 3.45Å; I566-M576 CarbonylContact C-O 3.58Å; I566-M576 WeakPolarHBondContact CA-O 3.37Å; I566-A577 HydrophobicContact CG1-CB 4.22Å
567	A	93.8	Very high	87.4	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	124.5	169.4	0	0	0	0	0	109.9	F472 M475 L494 V504 N505 I506 I575 M576	F472-A567 HydrophobicContact CZ-CB 4.18Å; M475-A567 HydrophobicContact CE-CB 4.23Å; M475-A567 HydrophobicContact SD-CB 3.63Å; L494-A567 HydrophobicContact CD2-CB 3.82Å; V504-A567 HydrophobicContact CG2-CB 4.12Å; N505-A567 WeakPolarHBondContact O-CA 3.38Å; I506-A567 HydrophobicContact CG1-CB 4.34Å; A567-I575 WeakPolarHBondContact O-CA 3.32Å; A567-M576 PolarHBondContact N-O 2.73Å; A567-M576 PolarHBondContact O-N 2.94Å
568	E	93.1	Very high	88.1	Confident	44 Å²	44	24.3 Å²	24.3	21%	0.206	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	122.7	174.9	-178.8	-172.9	151.5	0	0	109.9	V504 N505 V570 K573 E574 I575	V504-E568 WeakPolarHBondContact CA-O 3.2Å; V504-E568 WeakPolarHBondContact CG2-O 3.44Å; N505-E568 HydrophobicContact CB-CB 4.47Å; N505-E568 PolarHBondContact N-O 3.18Å; N505-E568 PolarHBondContact O-N 2.96Å; E568-V570 PolarHBondContact O-N 3Å; E568-K573 WeakPolarHBondContact OE1-CD 3.48Å; E568-K573 IonicContact OE1-NZ 2.79Å; E568-K573 PolarHBondContact OE1-NZ 2.83Å; E568-E574 VanDerWaalsContact CA-O 3.32Å; E568-E574 WeakPolarHBondContact CA-O 3.48Å; E568-I575 HydrophobicContact CB-CG1 4.21Å; E568-I575 HydrophobicContact CG-CG1 4.07Å
569	I	90.1	Very high	88.9	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	119.4	163.7	-63.1	-46.5	0	0	0	107.8	F472 Q502 V504 I532 E571 K573 E574	F472-I569 HydrophobicContact CD1-CG1 4.42Å; F472-I569 HydrophobicContact CD2-CG1 3.91Å; F472-I569 HydrophobicContact CE1-CD1 3.77Å; F472-I569 HydrophobicContact CE1-CG1 3.96Å; F472-I569 HydrophobicContact CE2-CB 4.25Å; F472-I569 HydrophobicContact CE2-CD1 3.96Å; F472-I569 HydrophobicContact CE2-CG1 3.43Å; F472-I569 VanDerWaalsContact CE2-CG1 3.43Å; F472-I569 HydrophobicContact CG-CG1 4.41Å; F472-I569 HydrophobicContact CZ-CD1 3.4Å; F472-I569 VanDerWaalsContact CZ-CD1 3.4Å; F472-I569 HydrophobicContact CZ-CG1 3.44Å; F472-I569 VanDerWaalsContact CZ-CG1 3.44Å; Q502-I569 HydrophobicContact CB-CG2 4.23Å; Q502-I569 HydrophobicContact CG-CG2 4.49Å; V504-I569 HydrophobicContact CB-CD1 4.16Å; V504-I569 HydrophobicContact CG2-CD1 4.1Å; I532-I569 HydrophobicContact CD1-CD1 4.02Å; I569-E571 VanDerWaalsContact C-N 3.29Å; I569-E571 HydrophobicContact CG2-CB 4.42Å; I569-E571 VanDerWaalsContact CG2-OE2 3.31Å; I569-E571 WeakPolarHBondContact CG2-OE2 3.48Å; I569-E571 PolarHBondContact O-N 2.82Å; I569-K573 WeakPolarHBondContact O-CA 3.21Å; I569-K573 PolarHBondContact O-N 3.04Å; I569-E574 PolarHBondContact N-O 2.94Å
570	V	90.4	Very high	89.6	Confident	46 Å²	46	23.7 Å²	23.7	28%	0.279	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-40.2	-174	176	0	0	0	0	111.5	N503 E568 K573	N503-V570 HydrophobicContact CB-CB 4.06Å; N503-V570 HydrophobicContact CB-CG2 3.88Å; N503-V570 WeakPolarHBondContact O-CG2 3.46Å; N503-V570 PolarHBondContact O-N 3.42Å; E568-V570 PolarHBondContact O-N 3Å; V570-K573 WeakPolarHBondContact O-CE 3.17Å
571	E	88.6	Confident	89.7	Confident	97 Å²	97	24.2 Å²	24.2	45%	0.453	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-40.7	-174.2	-61.5	80.7	-177.5	0	0	113	Q502 N503 I569	Q502-E571 WeakPolarHBondContact CB-OE2 2.91Å; N503-E571 PolarHBondContact N-OE1 2.73Å; N503-E571 PolarHBondContact N-OE2 3.04Å; N503-E571 PolarHBondContact ND2-OE1 3.14Å; I569-E571 VanDerWaalsContact C-N 3.29Å; I569-E571 HydrophobicContact CG2-CB 4.42Å; I569-E571 VanDerWaalsContact CG2-OE2 3.31Å; I569-E571 WeakPolarHBondContact CG2-OE2 3.48Å; I569-E571 PolarHBondContact O-N 2.82Å
572	S	86.6	Confident	89.5	Confident	39 Å²	39	24.2 Å²	24.2	27%	0.273	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-8.1	-177.3	64.4	0	0	0	0	114.2	N471 E574	N471-S572 WeakPolarHBondContact ND2-CB 3.3Å; S572-E574 PolarHBondContact O-N 3.49Å; S572-E574 VanDerWaalsContact O-N 3.1Å; S572-E574 WeakPolarHBondContact OG-CG 3.33Å
573	K	87.9	Confident	88.9	Confident	130 Å²	130	24.4 Å²	24.4	57%	0.565	12%	0.123	S	C	*	.			trans	58.4	18.2	-175.3	-58	-62.5	177.8	179.5	0	114.6	E568 I569 V570	E568-K573 WeakPolarHBondContact OE1-CD 3.48Å; E568-K573 IonicContact OE1-NZ 2.79Å; E568-K573 PolarHBondContact OE1-NZ 2.83Å; I569-K573 WeakPolarHBondContact O-CA 3.21Å; I569-K573 PolarHBondContact O-N 3.04Å; V570-K573 WeakPolarHBondContact O-CE 3.17Å
574	E	88.8	Confident	88.5	Confident	25 Å²	25	24.5 Å²	24.5	12%	0.117	12%	0.123	C	C	.	.			trans	-74.5	136.5	174.3	-66.3	-176.6	173.8	0	0	109.9	E470 N471 F472 E568 I569 S572	E470-E574 VanDerWaalsContact CA-OE1 3.24Å; E470-E574 WeakPolarHBondContact CA-OE1 3.42Å; E470-E574 VanDerWaalsContact CB-OE1 3.27Å; E470-E574 WeakPolarHBondContact CB-OE1 3.42Å; E470-E574 PolarHBondContact N-OE1 3.34Å; N471-E574 WeakPolarHBondContact CA-OE2 3.37Å; N471-E574 WeakPolarHBondContact CB-OE2 3.38Å; N471-E574 PolarHBondContact N-OE1 2.79Å; N471-E574 PolarHBondContact N-OE2 2.88Å; N471-E574 VanDerWaalsContact N-OE2 3.1Å; F472-E574 WeakPolarHBondContact CB-OE2 3.36Å; F472-E574 HydrophobicContact CD2-CB 3.63Å; F472-E574 HydrophobicContact CE2-CB 4.3Å; F472-E574 WeakPolarHBondContact CE2-O 3.38Å; F472-E574 PolarHBondContact N-OE2 3.43Å; E568-E574 VanDerWaalsContact CA-O 3.32Å; E568-E574 WeakPolarHBondContact CA-O 3.48Å; I569-E574 PolarHBondContact N-O 2.94Å; S572-E574 PolarHBondContact O-N 3.49Å; S572-E574 VanDerWaalsContact O-N 3.1Å; S572-E574 WeakPolarHBondContact OG-CG 3.33Å
575	I	89.7	Confident	87.9	Confident	23 Å²	23	28.5 Å²	28.5	12%	0.118	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	139.2	-177.1	-59.1	176.1	0	0	0	109.2	L397 I410 K469 I566 A567 E568	L397-I575 HydrophobicContact CD2-CD1 3.66Å; I410-I575 HydrophobicContact CB-CG2 4.13Å; I410-I575 HydrophobicContact CD1-CG2 4.03Å; I410-I575 HydrophobicContact CG2-CB 4.09Å; I410-I575 HydrophobicContact CG2-CG2 3.95Å; K469-I575 PolarHBondContact NZ-O 2.84Å; I566-I575 HydrophobicContact CG2-CG2 3.45Å; I566-I575 VanDerWaalsContact CG2-CG2 3.45Å; A567-I575 WeakPolarHBondContact O-CA 3.32Å; E568-I575 HydrophobicContact CB-CG1 4.21Å; E568-I575 HydrophobicContact CG-CG1 4.07Å
576	M	89.1	Confident	87.5	Confident	10 Å²	10	30 Å²	30	5%	0.049	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	151.7	164.9	-53.7	-136.9	-94.3	0	0	109.4	K469 F472 H474 M475 I566 A567	K469-M576 HydrophobicContact CD-CG 4.18Å; K469-M576 HydrophobicContact CD-SD 3.91Å; K469-M576 PolarHBondContact NZ-SD 2.86Å; K469-M576 VanDerWaalsContact NZ-SD 3.37Å; F472-M576 HydrophobicContact CB-CE 3.39Å; F472-M576 HydrophobicContact CB-CG 4Å; F472-M576 HydrophobicContact CB-SD 3.77Å; F472-M576 HydrophobicContact CD1-CE 3.23Å; F472-M576 HydrophobicContact CD1-CG 4.35Å; F472-M576 HydrophobicContact CD1-SD 4.5Å; F472-M576 HydrophobicContact CD2-CE 4.19Å; F472-M576 HydrophobicContact CD2-CG 3.71Å; F472-M576 HydrophobicContact CE1-CE 3.95Å; F472-M576 HydrophobicContact CE2-CG 4.1Å; F472-M576 HydrophobicContact CG-CE 3.38Å; F472-M576 HydrophobicContact CG-CG 3.82Å; F472-M576 HydrophobicContact CG-SD 4.1Å; H474-M576 WeakPolarHBondContact O-CE 3.33Å; M475-M576 HydrophobicContact CB-CB 3.99Å; M475-M576 HydrophobicContact CB-CE 3.72Å; M475-M576 HydrophobicContact CB-SD 4.39Å; M475-M576 HydrophobicContact SD-CB 3.92Å; I566-M576 CarbonylContact C-O 3.58Å; I566-M576 WeakPolarHBondContact CA-O 3.37Å; A567-M576 PolarHBondContact N-O 2.73Å; A567-M576 PolarHBondContact O-N 2.94Å
577	A	90.1	Very high	87.1	Confident	2 Å²	2	29.9 Å²	29.9	2%	0.017	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	149.7	168	0	0	0	0	0	110.2	I395 I410 S411 I565 I566	I395-A577 HydrophobicContact CD1-CB 4.2Å; I395-A577 HydrophobicContact CG2-CB 3.98Å; I410-A577 HydrophobicContact CD1-CB 3.45Å; I410-A577 VanDerWaalsContact CD1-CB 3.45Å; I410-A577 HydrophobicContact CG1-CB 4.21Å; S411-A577 WeakPolarHBondContact CB-O 3.37Å; S411-A577 PolarHBondContact OG-O 2.91Å; I565-A577 WeakPolarHBondContact O-CA 3.32Å; I566-A577 HydrophobicContact CG1-CB 4.22Å
578	S	89.1	Confident	86.9	Confident	12 Å²	12	38.3 Å²	38.3	8%	0.084	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	140.8	169.3	-178.3	0	0	0	0	108.1	I565	I565-S578 PolarHBondContact N-O 2.78Å; I565-S578 PolarHBondContact O-N 2.81Å
579	E	88.2	Confident	86.9	Confident	28 Å²	28	37.3 Å²	37.3	13%	0.131	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	144.6	172	-171	-174.9	-112.9	0	0	109.9	R393 R562 G563 F564	R393-E579 IonicContact CZ-OE1 3.95Å; R393-E579 IonicContact CZ-OE2 3.71Å; R393-E579 VanDerWaalsContact NH1-CD 3.28Å; R393-E579 IonicContact NH1-OE1 2.98Å; R393-E579 IonicContact NH1-OE2 3.67Å; R393-E579 PolarHBondContact NH1-OE2 2.85Å; R393-E579 IonicContact NH2-OE1 2.85Å; R393-E579 PolarHBondContact NH2-OE1 2.99Å; R393-E579 IonicContact NH2-OE2 2.73Å; R393-E579 PolarHBondContact NH2-OE2 2.8Å; R562-E579 WeakPolarHBondContact CD-OE1 3.4Å; R562-E579 HydrophobicContact CG-CG 3.83Å; R562-E579 IonicContact CZ-OE1 3.62Å; R562-E579 IonicContact CZ-OE2 2.81Å; R562-E579 IonicContact NE-OE1 3.49Å; R562-E579 IonicContact NE-OE2 3.86Å; R562-E579 IonicContact NH1-OE1 3.25Å; R562-E579 PolarHBondContact NH1-OE1 2.94Å; R562-E579 IonicContact NH1-OE2 2.73Å; R562-E579 PolarHBondContact NH1-OE2 2.9Å; G563-E579 CarbonylContact O-C 3.58Å; G563-E579 WeakPolarHBondContact O-CA 3.34Å; F564-E579 HydrophobicContact CD1-CB 4.13Å; F564-E579 HydrophobicContact CD1-CG 4.42Å; F564-E579 HydrophobicContact CD2-CG 4.4Å; F564-E579 HydrophobicContact CE1-CB 3.88Å; F564-E579 HydrophobicContact CE1-CG 4.1Å; F564-E579 HydrophobicContact CE2-CG 4.07Å; F564-E579 WeakPolarHBondContact CE2-OE1 3.42Å; F564-E579 HydrophobicContact CZ-CB 4.19Å; F564-E579 HydrophobicContact CZ-CG 3.91Å; F564-E579 WeakPolarHBondContact CZ-OE1 3.37Å
580	V	87.3	Confident	87	Confident	5 Å²	5	40 Å²	40	3%	0.03	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	150.4	170.4	66.7	0	0	0	0	109.5	V477 F490 F510 R562 G563 I565	V477-V580 HydrophobicContact CB-CB 3.98Å; V477-V580 HydrophobicContact CB-CG2 4.35Å; V477-V580 HydrophobicContact CG1-CB 3.68Å; V477-V580 HydrophobicContact CG1-CG1 3.88Å; V477-V580 HydrophobicContact CG1-CG2 3.84Å; F490-V580 HydrophobicContact CD1-CB 4.27Å; F490-V580 HydrophobicContact CD1-CG1 3.5Å; F490-V580 HydrophobicContact CD1-CG2 3.78Å; F490-V580 HydrophobicContact CE1-CG1 3.66Å; F490-V580 HydrophobicContact CE1-CG2 4.05Å; F490-V580 HydrophobicContact CG-CG1 4.44Å; F510-V580 HydrophobicContact CE1-CG1 4.2Å; R562-V580 CarbonylContact C-O 3.57Å; R562-V580 WeakPolarHBondContact CA-O 3.25Å; G563-V580 PolarHBondContact N-O 2.76Å; G563-V580 PolarHBondContact O-N 3.46Å; I565-V580 HydrophobicContact CD1-CG1 4.06Å; I565-V580 HydrophobicContact CG1-CG1 4.35Å
581	F	85.1	Confident	87.2	Confident	25 Å²	25	39.6 Å²	39.6	11%	0.11	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	164	168.2	61.9	-95.4	0	0	0	110.3	A170 R172 S479 V560 I561 R562	A170-F581 HydrophobicContact CB-CD2 4.04Å; A170-F581 HydrophobicContact CB-CE2 3.22Å; A170-F581 HydrophobicContact CB-CZ 3.63Å; R172-F581 HydrophobicContact CG-CE2 4.15Å; R172-F581 HydrophobicContact CG-CZ 4.26Å; R172-F581 PolarHBondContact NH1-O 2.92Å; S479-F581 PolarHBondContact OG-O 3.07Å; V560-F581 HydrophobicContact CG1-CB 4.01Å; I561-F581 CarbonylContact O-C 3.57Å; I561-F581 WeakPolarHBondContact O-CA 3.42Å; R562-F581 HydrophobicContact CG-CB 4.49Å
582	V	83.5	Confident	87.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	127.7	176.3	-170.2	0	0	0	0	107.9	A482 V488 F490 I561	A482-V582 HydrophobicContact CB-CG1 4.15Å; V488-V582 HydrophobicContact CG1-CB 4.41Å; V488-V582 HydrophobicContact CG1-CG1 3.85Å; V488-V582 HydrophobicContact CG1-CG2 3.63Å; V488-V582 HydrophobicContact CG2-CG1 4.07Å; F490-V582 HydrophobicContact CE1-CG2 3.41Å; F490-V582 VanDerWaalsContact CE1-CG2 3.41Å; F490-V582 HydrophobicContact CZ-CG2 3.39Å; I561-V582 HydrophobicContact CB-CB 4.04Å; I561-V582 HydrophobicContact CB-CG2 3.94Å; I561-V582 HydrophobicContact CG2-CG2 4.07Å; I561-V582 PolarHBondContact O-N 3.13Å
583	S	76	Confident	87.9	Confident	10 Å²	10	39.2 Å²	39.2	7%	0.07	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-99.1	132.2	167.3	-60.6	0	0	0	0	109.1	A170 A482	A170-S583 WeakPolarHBondContact CB-OG 3.46Å; A482-S583 PolarHBondContact N-O 2.95Å
584	F	80.9	Confident	88.2	Confident	3 Å²	3	35.6 Å²	35.6	1%	0.013	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	132.2	174.2	-67.5	-65.5	0	0	0	110.9	K175 A482 L484 Y548 L552 I561 Y586	K175-F584 PolarHBondContact NZ-O 2.73Å; A482-F584 HydrophobicContact CB-CD1 4.44Å; A482-F584 WeakPolarHBondContact O-CA 3.25Å; L484-F584 HydrophobicContact CB-CD1 4.27Å; L484-F584 HydrophobicContact CB-CG 4.49Å; L484-F584 HydrophobicContact CD1-CD1 3.78Å; L484-F584 HydrophobicContact CD1-CD2 3.97Å; L484-F584 HydrophobicContact CD1-CE1 3.84Å; L484-F584 HydrophobicContact CD1-CE2 4.02Å; L484-F584 HydrophobicContact CD1-CG 3.84Å; L484-F584 HydrophobicContact CD1-CZ 3.94Å; Y548-F584 HydrophobicContact CD2-CE1 4.47Å; Y548-F584 AromaticContact CD2-CZ 3.87Å; Y548-F584 HydrophobicContact CD2-CZ 3.87Å; Y548-F584 AromaticContact CE2-CE1 3.79Å; Y548-F584 HydrophobicContact CE2-CE1 3.79Å; Y548-F584 AromaticContact CE2-CZ 3.63Å; Y548-F584 HydrophobicContact CE2-CZ 3.63Å; Y548-F584 HydrophobicContact CG-CZ 4.48Å; Y548-F584 AromaticContact CZ-CE1 3.82Å; L552-F584 HydrophobicContact CD2-CE2 4.28Å; I561-F584 HydrophobicContact CD1-CE2 4.24Å; I561-F584 HydrophobicContact CD1-CZ 3.6Å; I561-F584 HydrophobicContact CG1-CE2 4.22Å; I561-F584 HydrophobicContact CG1-CZ 4.08Å; F584-Y586 HydrophobicContact CB-CE1 3.95Å
585	Q	80.5	Confident	88.5	Confident	90 Å²	90	39.8 Å²	39.8	42%	0.421	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	139.2	166.8	-75	-179.9	2.5	0	0	110	D481 A482 L483	D481-Q585 HydrophobicContact CB-CG 3.91Å; D481-Q585 PolarHBondContact OD2-NE2 2.88Å; A482-Q585 PolarHBondContact O-N 2.95Å; L483-Q585 HydrophobicContact CD2-CB 3.98Å
586	Y	84.2	Confident	88.8	Confident	32 Å²	32	43 Å²	43	13%	0.125	23%	0.226	C	C	.	.			trans	-113.5	149.6	178.7	-59.5	-41.3	0	0	0	110.2	L484 F584 V671 I674	L484-Y586 HydrophobicContact CB-CE1 4.45Å; L484-Y586 HydrophobicContact CD2-CE1 4.22Å; F584-Y586 HydrophobicContact CB-CE1 3.95Å; Y586-V671 HydrophobicContact CD1-CB 4.46Å; Y586-V671 HydrophobicContact CD1-CG1 3.9Å; Y586-V671 HydrophobicContact CD1-CG2 3.91Å; Y586-V671 HydrophobicContact CD2-CG1 3.94Å; Y586-V671 HydrophobicContact CE1-CG1 4.3Å; Y586-V671 HydrophobicContact CE1-CG2 4.17Å; Y586-V671 HydrophobicContact CE2-CG1 4.34Å; Y586-V671 HydrophobicContact CG-CG1 3.72Å; Y586-I674 HydrophobicContact CD2-CG1 4.37Å; Y586-I674 HydrophobicContact CG-CG1 4.36Å
587	P	86.9	Confident	89.2	Confident	7 Å²	7	43 Å²	43	5%	0.045	23%	0.23	C	C	.	.			trans	-63.5	142.8	177.8	-14.1	27.2	0	0	0	110.7	F609 T612 L613 I674	P587-F609 HydrophobicContact CB-CE2 3.85Å; P587-F609 HydrophobicContact CB-CZ 4.43Å; P587-F609 HydrophobicContact CG-CE2 4.21Å; P587-F609 HydrophobicContact CG-CZ 4.35Å; P587-T612 WeakPolarHBondContact CB-OG1 3.34Å; P587-T612 WeakPolarHBondContact CG-OG1 3.31Å; P587-L613 HydrophobicContact CG-CD1 4.23Å; P587-L613 HydrophobicContact CG-CD2 4.01Å; P587-L613 HydrophobicContact CG-CG 3.71Å; P587-I674 WeakPolarHBondContact O-CD1 3.37Å
588	E	88.6	Confident	89.5	Confident	176 Å²	176	49.4 Å²	49.4	82%	0.822	25%	0.253	S	S	*	.			trans	-78.9	160.4	171.2	-63.1	-174.4	168.3	0	0	111.1
589	F	92.8	Very high	89.9	Confident	23 Å²	23	51.2 Å²	51.2	10%	0.101	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	147.7	171.8	71.4	-81.1	0	0	0	109.8	V591 I608 F609 F622 I664 L666 I674 A676	F589-V591 HydrophobicContact CD2-CG2 3.62Å; F589-V591 HydrophobicContact CE2-CG2 3.19Å; F589-V591 HydrophobicContact CZ-CG2 4.12Å; F589-I608 WeakPolarHBondContact CA-O 2.83Å; F589-I608 WeakPolarHBondContact CB-O 3.22Å; F589-F609 HydrophobicContact CB-CB 4.01Å; F589-F609 HydrophobicContact CB-CD2 3.95Å; F589-F609 HydrophobicContact CB-CG 4.48Å; F589-F622 AromaticContact CD2-CE1 3.73Å; F589-F622 HydrophobicContact CD2-CE1 3.73Å; F589-F622 HydrophobicContact CE2-CD1 4.38Å; F589-F622 HydrophobicContact CE2-CE1 4.01Å; F589-F622 HydrophobicContact CG-CE1 4.27Å; F589-I664 HydrophobicContact CE2-CB 4.24Å; F589-I664 HydrophobicContact CE2-CG2 3.63Å; F589-I664 HydrophobicContact CZ-CB 4.28Å; F589-I664 HydrophobicContact CZ-CG2 3.95Å; F589-L666 HydrophobicContact CD1-CB 4.28Å; F589-L666 HydrophobicContact CE1-CB 4.26Å; F589-I674 HydrophobicContact CD1-CB 4.21Å; F589-I674 HydrophobicContact CD1-CG2 3.69Å; F589-I674 HydrophobicContact CE1-CB 4.15Å; F589-I674 HydrophobicContact CE1-CG2 3.77Å; F589-I674 WeakPolarHBondContact CE1-O 3.31Å; F589-A676 HydrophobicContact CE1-CB 4.1Å; F589-A676 HydrophobicContact CE2-CB 3.95Å; F589-A676 HydrophobicContact CZ-CB 3.54Å
590	S	93.7	Very high	90.3	Very high	58 Å²	58	52.5 Å²	52.5	41%	0.406	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	138.8	178.5	64.1	0	0	0	0	110.6	C607 I608	S590-C607 WeakPolarHBondContact O-CA 3.31Å; S590-I608 PolarHBondContact N-O 2.71Å; S590-I608 PolarHBondContact O-N 3.28Å; S590-I608 WeakPolarHBondContact OG-CB 3.37Å
591	V	94.4	Very high	90.7	Very high	37 Å²	37	57.3 Å²	57.3	22%	0.224	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.1	175.6	176.2	0	0	0	0	110.1	F589 L593 C605 N606 I664 A676	F589-V591 HydrophobicContact CD2-CG2 3.62Å; F589-V591 HydrophobicContact CE2-CG2 3.19Å; F589-V591 HydrophobicContact CZ-CG2 4.12Å; V591-L593 HydrophobicContact CG1-CB 4.41Å; V591-C605 VanDerWaalsContact CG1-SG 3.6Å; V591-N606 WeakPolarHBondContact CA-O 3.41Å; V591-I664 HydrophobicContact CG1-CD1 3.98Å; V591-I664 HydrophobicContact CG1-CG1 4.11Å; V591-I664 HydrophobicContact CG2-CB 4.19Å; V591-I664 HydrophobicContact CG2-CG1 4.37Å; V591-I664 HydrophobicContact CG2-CG2 4.18Å; V591-A676 HydrophobicContact CB-CB 4.43Å; V591-A676 HydrophobicContact CG2-CB 3.68Å
592	E	95.3	Very high	91.2	Very high	120 Å²	120	61.1 Å²	61.1	56%	0.561	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	108.6	167.9	-59.9	179.6	170.7	0	0	109.1	N606	E592-N606 HydrophobicContact CB-CB 4.23Å; E592-N606 PolarHBondContact N-O 2.74Å; E592-N606 PolarHBondContact O-N 2.84Å
593	L	94.2	Very high	91.8	Very high	7 Å²	7	61.4 Å²	61.4	4%	0.037	33%	0.33	C	S	.	.			trans	-123.1	142.4	172.5	-168.8	69.4	0	0	0	108.1	V591 L603 C605 F662 K678 V680	V591-L593 HydrophobicContact CG1-CB 4.41Å; L593-L603 HydrophobicContact CD1-CD2 3.95Å; L593-L603 HydrophobicContact CD1-CG 4.02Å; L593-L603 HydrophobicContact CG-CD2 4.36Å; L593-C605 HydrophobicContact CD1-CB 3.55Å; L593-F662 HydrophobicContact CD2-CB 3.68Å; L593-F662 HydrophobicContact CD2-CD1 4.19Å; L593-F662 HydrophobicContact CD2-CD2 4.01Å; L593-F662 HydrophobicContact CD2-CG 3.69Å; L593-K678 HydrophobicContact CB-CD 4.03Å; L593-K678 HydrophobicContact CD2-CB 4.35Å; L593-K678 WeakPolarHBondContact O-CE 3.34Å; L593-K678 PolarHBondContact O-NZ 2.63Å; L593-V680 HydrophobicContact CD2-CG2 3.34Å; L593-V680 HydrophobicContact CG-CG2 3.83Å
594	P	94.1	Very high	92.7	Very high	55 Å²	55	63 Å²	63	36%	0.357	34%	0.339	S	S	.	.			trans	-57.6	151.2	175.8	-27.4	36.5	0	0	0	112.4	T596 L603 V604 V680	P594-T596 VanDerWaalsContact C-N 3.27Å; P594-T596 WeakPolarHBondContact CB-O 3.46Å; P594-L603 HydrophobicContact CB-CD1 3.89Å; P594-L603 HydrophobicContact CG-CD1 3.65Å; P594-V604 VanDerWaalsContact CD-O 3.31Å; P594-V604 WeakPolarHBondContact CD-O 3.46Å; P594-V680 WeakPolarHBondContact O-CG1 3.5Å; P594-V680 VanDerWaalsContact O-CG2 3.29Å; P594-V680 WeakPolarHBondContact O-CG2 3.3Å
595	N	95.5	Very high	93.5	Very high	113 Å²	113	62.9 Å²	62.9	60%	0.604	34%	0.338	S	S	*	.	S	Bend	trans	-75.5	-20.7	175.1	-66.4	-21.5	0	0	0	112.3	K678 L681	N595-K678 WeakPolarHBondContact OD1-CE 3.45Å; N595-K678 PolarHBondContact OD1-NZ 3.22Å; N595-L681 PolarHBondContact O-N 2.88Å
596	T	96.3	Very high	94.2	Very high	89 Å²	89	60.9 Å²	60.9	55%	0.546	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	145.9	-178.8	56.6	0	0	0	0	110.7	P594 L681	P594-T596 VanDerWaalsContact C-N 3.27Å; P594-T596 WeakPolarHBondContact CB-O 3.46Å; T596-L681 CarbonylContact C-O 3.52Å; T596-L681 VanDerWaalsContact CA-O 3.25Å; T596-L681 WeakPolarHBondContact CA-O 3.3Å; T596-L681 HydrophobicContact CG2-CB 4.4Å
597	G	95.9	Very high	94.8	Very high	12 Å²	12	59.4 Å²	59.4	12%	0.124	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	175.2	171.1	0	0	0	0	0	111.1	L681 I682 T683	G597-L681 PolarHBondContact N-O 2.91Å; G597-I682 CarbonylContact O-C 3.58Å; G597-I682 WeakPolarHBondContact O-CA 3.19Å; G597-T683 PolarHBondContact O-N 2.71Å
598	R	97.1	Very high	95.3	Very high	135 Å²	135	61.8 Å²	61.8	51%	0.509	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	148.5	174	-53.8	-158.9	173.9	173.1	-0.4	111.1	G600 Q601 T683	R598-G600 PolarHBondContact O-N 2.91Å; R598-Q601 HydrophobicContact CB-CB 4.12Å; R598-Q601 HydrophobicContact CB-CG 3.95Å; R598-Q601 PolarHBondContact O-N 2.95Å; R598-T683 WeakPolarHBondContact CA-O 3.21Å; R598-T683 WeakPolarHBondContact CG-OG1 3.25Å
599	V	96.9	Very high	95.6	Very high	50 Å²	50	53.5 Å²	53.5	30%	0.303	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	134.7	172.4	172.9	0	0	0	0	109.8	Q601 P654 T657 I682 T683	V599-Q601 PolarHBondContact O-N 2.9Å; V599-P654 WeakPolarHBondContact CA-O 3.49Å; V599-T657 HydrophobicContact CG2-CG2 3.68Å; V599-I682 HydrophobicContact CG2-CG2 3.77Å; V599-T683 PolarHBondContact N-O 2.78Å
600	G	96.2	Very high	95.8	Very high	56 Å²	56	59.3 Å²	59.3	58%	0.577	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	-1.8	179	0	0	0	0	0	115.3	R598 P654	R598-G600 PolarHBondContact O-N 2.91Å; G600-P654 PolarHBondContact N-O 2.86Å
601	Q	96.3	Very high	95.8	Very high	105 Å²	105	56.5 Å²	56.5	49%	0.491	30%	0.3	S	S	.	.	S	Bend	trans	-101.2	150	175.9	-64.8	-168.4	-7.6	0	0	111.9	R598 V599 L603 P654	R598-Q601 HydrophobicContact CB-CB 4.12Å; R598-Q601 HydrophobicContact CB-CG 3.95Å; R598-Q601 PolarHBondContact O-N 2.95Å; V599-Q601 PolarHBondContact O-N 2.9Å; Q601-L603 PolarHBondContact O-N 2.92Å; Q601-P654 WeakPolarHBondContact O-CD 3.5Å
602	L	96.1	Very high	95.7	Very high	105 Å²	105	58.5 Å²	58.5	55%	0.55	31%	0.312	S	S	.	.			trans	-67	125	179.1	-169.4	68.9	0	0	0	110.9	V604 K651 I653	L602-V604 HydrophobicContact CD2-CG2 4.19Å; L602-V604 HydrophobicContact CG-CG2 4.24Å; L602-K651 HydrophobicContact CD1-CB 3.87Å; L602-K651 HydrophobicContact CD1-CD 4.46Å; L602-K651 HydrophobicContact CD1-CG 4.38Å; L602-K651 HydrophobicContact CD2-CD 4.24Å; L602-I653 HydrophobicContact CD1-CG1 4.37Å
603	L	95.7	Very high	95.5	Very high	7 Å²	7	53 Å²	53	4%	0.037	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.8	170	-170.5	72.5	0	0	0	108.8	L593 P594 Q601 C652 P654 F662 V680	L593-L603 HydrophobicContact CD1-CD2 3.95Å; L593-L603 HydrophobicContact CD1-CG 4.02Å; L593-L603 HydrophobicContact CG-CD2 4.36Å; P594-L603 HydrophobicContact CB-CD1 3.89Å; P594-L603 HydrophobicContact CG-CD1 3.65Å; Q601-L603 PolarHBondContact O-N 2.92Å; L603-C652 PolarHBondContact N-O 3.47Å; L603-C652 PolarHBondContact O-N 2.85Å; L603-P654 HydrophobicContact CB-CG 4.21Å; L603-P654 HydrophobicContact CD2-CG 4.29Å; L603-F662 HydrophobicContact CD2-CE1 3.99Å; L603-F662 HydrophobicContact CD2-CE2 4.31Å; L603-F662 HydrophobicContact CD2-CZ 3.76Å; L603-V680 HydrophobicContact CD2-CG1 4.38Å
604	V	95.9	Very high	95.3	Very high	43 Å²	43	55.7 Å²	55.7	26%	0.261	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.4	-177.5	-172.3	0	0	0	0	109.7	P594 L602 Q649 K651	P594-V604 VanDerWaalsContact CD-O 3.31Å; P594-V604 WeakPolarHBondContact CD-O 3.46Å; L602-V604 HydrophobicContact CD2-CG2 4.19Å; L602-V604 HydrophobicContact CG-CG2 4.24Å; V604-Q649 HydrophobicContact CG1-CB 4.29Å; V604-K651 HydrophobicContact CG2-CG 4.31Å
605	C	96.3	Very high	95.1	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	116.8	175	-170.8	0	0	0	0	109.2	V591 L593 L624 Q649 I650	V591-C605 VanDerWaalsContact CG1-SG 3.6Å; L593-C605 HydrophobicContact CD1-CB 3.55Å; C605-L624 HydrophobicContact CB-CD1 3.48Å; C605-L624 VanDerWaalsContact CB-CD1 3.48Å; C605-Q649 WeakPolarHBondContact O-CA 3.43Å; C605-I650 HydrophobicContact CB-CB 4.26Å; C605-I650 PolarHBondContact N-O 3.02Å; C605-I650 PolarHBondContact O-N 3.1Å
606	N	96.4	Very high	94.9	Very high	49 Å²	49	51.2 Å²	51.2	26%	0.262	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	130.3	172.5	-53.2	-44	0	0	0	109.2	V591 E592 S648 Q649	V591-N606 WeakPolarHBondContact CA-O 3.41Å; E592-N606 HydrophobicContact CB-CB 4.23Å; E592-N606 PolarHBondContact N-O 2.74Å; E592-N606 PolarHBondContact O-N 2.84Å; N606-S648 CarbonylContact C-O 3.5Å; N606-S648 WeakPolarHBondContact CA-O 3.49Å; N606-Q649 WeakPolarHBondContact OD1-CG 3.28Å; N606-Q649 PolarHBondContact OD1-NE2 3.1Å
607	C	96.5	Very high	94.7	Very high	1 Å²	1	47 Å²	47	1%	0.007	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.4	175.7	-52.6	0	0	0	0	108.9	S590 F622 Q647 S648	S590-C607 WeakPolarHBondContact O-CA 3.31Å; C607-F622 HydrophobicContact CB-CD1 3.84Å; C607-F622 HydrophobicContact CB-CE1 3.47Å; C607-F622 VanDerWaalsContact CB-CE1 3.47Å; C607-F622 HydrophobicContact CB-CE2 4.22Å; C607-F622 HydrophobicContact CB-CG 4.35Å; C607-F622 HydrophobicContact CB-CZ 3.66Å; C607-Q647 CarbonylContact O-C 3.48Å; C607-Q647 WeakPolarHBondContact O-CA 3.46Å; C607-S648 PolarHBondContact N-O 3.32Å; C607-S648 PolarHBondContact O-N 2.82Å
608	I	96.3	Very high	94.5	Very high	57 Å²	57	48.2 Å²	48.2	29%	0.292	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	126.2	173.7	-48.7	176.5	0	0	0	107.8	F589 S590 T645 I646 Q647	F589-I608 WeakPolarHBondContact CA-O 2.83Å; F589-I608 WeakPolarHBondContact CB-O 3.22Å; S590-I608 PolarHBondContact N-O 2.71Å; S590-I608 PolarHBondContact O-N 3.28Å; S590-I608 WeakPolarHBondContact OG-CB 3.37Å; I608-T645 HydrophobicContact CG2-CG2 3.76Å; I608-I646 WeakPolarHBondContact CA-O 3.14Å; I608-Q647 HydrophobicContact CG1-CG 4.16Å; I608-Q647 HydrophobicContact CG2-CG 4.21Å
609	F	96.4	Very high	94.3	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132.8	179.1	170.5	-104.3	0	0	0	109.9	P587 F589 N611 L617 F622 V640 T645 I646 L666 I674	P587-F609 HydrophobicContact CB-CE2 3.85Å; P587-F609 HydrophobicContact CB-CZ 4.43Å; P587-F609 HydrophobicContact CG-CE2 4.21Å; P587-F609 HydrophobicContact CG-CZ 4.35Å; F589-F609 HydrophobicContact CB-CB 4.01Å; F589-F609 HydrophobicContact CB-CD2 3.95Å; F589-F609 HydrophobicContact CB-CG 4.48Å; F609-N611 HydrophobicContact CE1-CB 4.02Å; F609-N611 HydrophobicContact CZ-CB 4.36Å; F609-L617 HydrophobicContact CE1-CD1 3.82Å; F609-L617 HydrophobicContact CZ-CD1 3.54Å; F609-F622 HydrophobicContact CB-CZ 3.76Å; F609-V640 HydrophobicContact CE1-CG1 4.44Å; F609-T645 CarbonylContact O-C 3.6Å; F609-T645 VanDerWaalsContact O-CA 3.32Å; F609-T645 WeakPolarHBondContact O-CA 3.14Å; F609-I646 HydrophobicContact CB-CD1 4.49Å; F609-I646 HydrophobicContact CB-CG1 4.02Å; F609-I646 HydrophobicContact CD1-CD1 4.16Å; F609-I646 HydrophobicContact CD1-CG1 4.02Å; F609-I646 PolarHBondContact N-O 2.9Å; F609-I646 PolarHBondContact O-N 2.85Å; F609-L666 HydrophobicContact CB-CD1 3.74Å; F609-L666 HydrophobicContact CD1-CD1 3.73Å; F609-L666 HydrophobicContact CD2-CD1 3.7Å; F609-L666 HydrophobicContact CD2-CD2 4.48Å; F609-L666 HydrophobicContact CE1-CD1 4.23Å; F609-L666 HydrophobicContact CE2-CD1 4.16Å; F609-L666 HydrophobicContact CE2-CD2 4.14Å; F609-L666 HydrophobicContact CG-CD1 3.43Å; F609-L666 VanDerWaalsContact CG-CD1 3.43Å; F609-L666 HydrophobicContact CZ-CD1 4.42Å; F609-L666 HydrophobicContact CZ-CD2 4.21Å; F609-I674 HydrophobicContact CE2-CD1 4.29Å
610	R	95.6	Very high	94.1	Very high	145 Å²	145	42.7 Å²	42.7	55%	0.547	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.7	170.7	-177.6	174.3	-174.9	-164	-1.2	108.9	T612 G643 E644 T645	R610-T612 HydrophobicContact CG-CG2 4.41Å; R610-T612 PolarHBondContact O-N 3.27Å; R610-G643 PolarHBondContact NE-O 2.79Å; R610-E644 WeakPolarHBondContact CA-O 3.37Å; R610-T645 HydrophobicContact CB-CG2 4.42Å; R610-T645 WeakPolarHBondContact CG-OG1 3.42Å
611	N	94.9	Very high	94	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.228	C	C	.	.			trans	-73.1	99.7	173.8	-179.1	11.2	0	0	0	109.6	F609 L613 I615 L617 V640 Q641 G643 E644	F609-N611 HydrophobicContact CE1-CB 4.02Å; F609-N611 HydrophobicContact CZ-CB 4.36Å; N611-L613 VanDerWaalsContact C-N 3.33Å; N611-L613 WeakPolarHBondContact OD1-CB 3.44Å; N611-L613 PolarHBondContact OD1-N 3.03Å; N611-I615 PolarHBondContact ND2-O 3.32Å; N611-L617 HydrophobicContact CB-CD1 4.48Å; N611-V640 HydrophobicContact CB-CG1 3.76Å; N611-V640 PolarHBondContact ND2-O 3.19Å; N611-Q641 WeakPolarHBondContact CB-O 3.35Å; N611-Q641 PolarHBondContact ND2-O 3.22Å; N611-G643 WeakPolarHBondContact O-CA 3.46Å; N611-G643 PolarHBondContact O-N 2.82Å; N611-E644 PolarHBondContact N-O 3.35Å
612	T	92.5	Very high	93.9	Very high	79 Å²	79	37.7 Å²	37.7	49%	0.485	20%	0.204	S	C	.	.			trans	-89.4	2	176.1	64.2	0	0	0	0	113.3	P587 R610	P587-T612 WeakPolarHBondContact CB-OG1 3.34Å; P587-T612 WeakPolarHBondContact CG-OG1 3.31Å; R610-T612 HydrophobicContact CG-CG2 4.41Å; R610-T612 PolarHBondContact O-N 3.27Å
613	L	91.1	Very high	93.8	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.021	19%	0.185	C	C	.	.	S	Bend	trans	-80.2	155.5	177.5	-56.2	176	0	0	0	110.5	L483 L484 P587 N611 I615 L617 P642 V671	L483-L613 HydrophobicContact CB-CD2 4.26Å; L483-L613 HydrophobicContact CD2-CD2 4.33Å; L484-L613 HydrophobicContact CB-CD1 4.11Å; L484-L613 HydrophobicContact CB-CD2 4.05Å; L484-L613 HydrophobicContact CD2-CD1 4.31Å; P587-L613 HydrophobicContact CG-CD1 4.23Å; P587-L613 HydrophobicContact CG-CD2 4.01Å; P587-L613 HydrophobicContact CG-CG 3.71Å; N611-L613 VanDerWaalsContact C-N 3.33Å; N611-L613 WeakPolarHBondContact OD1-CB 3.44Å; N611-L613 PolarHBondContact OD1-N 3.03Å; L613-I615 HydrophobicContact CB-CG1 4.17Å; L613-I615 PolarHBondContact O-N 3.48Å; L613-L617 HydrophobicContact CD1-CD1 4.44Å; L613-L617 HydrophobicContact CD1-CD2 3.96Å; L613-P642 WeakPolarHBondContact O-CB 3.49Å; L613-V671 HydrophobicContact CD1-CG2 3.75Å
614	A	89.1	Confident	93.7	Very high	64 Å²	64	33.3 Å²	33.3	53%	0.529	18%	0.183	S	C	.	.	S	Bend	trans	-75.2	0.7	176.7	0	0	0	0	0	113.4
615	I	89.6	Confident	93.6	Very high	19 Å²	19	32.6 Å²	32.6	10%	0.097	18%	0.177	C	C	.	.	S	Bend	trans	-124.4	150.6	-175.2	63.1	172.1	0	0	0	111.5	L484 I549 N611 L613 Q670	L484-I615 HydrophobicContact CD2-CD1 3.98Å; L484-I615 HydrophobicContact CG-CD1 4.02Å; I549-I615 HydrophobicContact CD1-CG2 4Å; N611-I615 PolarHBondContact ND2-O 3.32Å; L613-I615 HydrophobicContact CB-CG1 4.17Å; L613-I615 PolarHBondContact O-N 3.48Å; I615-Q670 HydrophobicContact CD1-CB 4.24Å; I615-Q670 HydrophobicContact CD1-CG 4.15Å
616	P	91.8	Very high	93.5	Very high	54 Å²	54	32.9 Å²	32.9	35%	0.351	18%	0.179	S	C	.	.			trans	-67.3	141.8	172.1	28.1	-34.3	0	0	0	111.1	T639	P616-T639 HydrophobicContact CB-CG2 4.21Å
617	L	92	Very high	93.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	122.4	172.1	-63.6	-176.8	0	0	0	109.3	F609 N611 L613 V620 T639 V640 Q670 V671	F609-L617 HydrophobicContact CE1-CD1 3.82Å; F609-L617 HydrophobicContact CZ-CD1 3.54Å; N611-L617 HydrophobicContact CB-CD1 4.48Å; L613-L617 HydrophobicContact CD1-CD1 4.44Å; L613-L617 HydrophobicContact CD1-CD2 3.96Å; L617-V620 HydrophobicContact CB-CG2 3.67Å; L617-T639 CarbonylContact O-C 3.51Å; L617-T639 VanDerWaalsContact O-CA 3.26Å; L617-T639 WeakPolarHBondContact O-CA 3.34Å; L617-V640 PolarHBondContact N-O 2.93Å; L617-V640 PolarHBondContact O-N 3.32Å; L617-Q670 HydrophobicContact CD2-CB 3.81Å; L617-Q670 HydrophobicContact CD2-CG 4.49Å; L617-V671 HydrophobicContact CD1-CG2 4.32Å; L617-V671 HydrophobicContact CD2-CB 4.5Å; L617-V671 HydrophobicContact CD2-CG2 3.7Å
618	T	92.3	Very high	93.1	Very high	38 Å²	38	31.2 Å²	31.2	23%	0.233	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	149.7	-177	60.4	0	0	0	0	111.6	V620 T639 S668 K669 Q670	T618-V620 VanDerWaalsContact C-N 3.33Å; T618-V620 PolarHBondContact O-N 2.92Å; T618-T639 HydrophobicContact CG2-CG2 3.96Å; T618-S668 WeakPolarHBondContact O-CB 3.16Å; T618-K669 PolarHBondContact O-N 3.4Å; T618-Q670 PolarHBondContact OG1-NE2 2.87Å; T618-Q670 VanDerWaalsContact OG1-NE2 3.09Å; T618-Q670 PolarHBondContact OG1-OE1 3.49Å
619	D	91.7	Very high	92.9	Very high	70 Å²	70	29.2 Å²	29.2	37%	0.374	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.2	45.4	-175.3	-163.2	34.3	0	0	0	112.5	K621 G638 K669	D619-K621 PolarHBondContact O-N 2.94Å; D619-K621 WeakPolarHBondContact OD1-CE 3.41Å; D619-K621 IonicContact OD1-NZ 2.71Å; D619-K621 PolarHBondContact OD1-NZ 3.32Å; D619-K621 VanDerWaalsContact OD2-CE 3.31Å; D619-K621 WeakPolarHBondContact OD2-CE 3.43Å; D619-K621 IonicContact OD2-NZ 2.65Å; D619-G638 WeakPolarHBondContact CA-O 3.33Å; D619-G638 PolarHBondContact N-O 3.35Å; D619-K669 HydrophobicContact CB-CG 4.15Å
620	V	94.3	Very high	92.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	126.5	179.2	178.2	0	0	0	0	109.7	L617 T618 H637 G638 V640 I646 L666 S667	L617-V620 HydrophobicContact CB-CG2 3.67Å; T618-V620 VanDerWaalsContact C-N 3.33Å; T618-V620 PolarHBondContact O-N 2.92Å; V620-H637 HydrophobicContact CB-CB 4.29Å; V620-H637 HydrophobicContact CG1-CB 4.32Å; V620-H637 PolarHBondContact O-N 2.86Å; V620-G638 PolarHBondContact N-O 2.79Å; V620-V640 HydrophobicContact CB-CG2 4.01Å; V620-V640 HydrophobicContact CG1-CG2 4.22Å; V620-V640 HydrophobicContact CG2-CB 4.21Å; V620-V640 HydrophobicContact CG2-CG2 3.71Å; V620-I646 HydrophobicContact CG1-CD1 3.87Å; V620-L666 HydrophobicContact CG1-CD1 4.1Å; V620-L666 HydrophobicContact CG1-CG 4.29Å; V620-S667 CarbonylContact C-O 3.42Å; V620-S667 WeakPolarHBondContact CA-O 3.31Å
621	K	93.8	Very high	91.9	Very high	56 Å²	56	29.7 Å²	29.7	24%	0.243	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.9	178.4	-52.7	-171.9	-169.6	-157	0	110.5	D619 S635 E636 L666 S667	D619-K621 PolarHBondContact O-N 2.94Å; D619-K621 WeakPolarHBondContact OD1-CE 3.41Å; D619-K621 IonicContact OD1-NZ 2.71Å; D619-K621 PolarHBondContact OD1-NZ 3.32Å; D619-K621 VanDerWaalsContact OD2-CE 3.31Å; D619-K621 WeakPolarHBondContact OD2-CE 3.43Å; D619-K621 IonicContact OD2-NZ 2.65Å; K621-S635 CarbonylContact C-O 3.58Å; K621-S635 WeakPolarHBondContact CA-O 3.47Å; K621-E636 HydrophobicContact CD-CG 4.04Å; K621-E636 WeakPolarHBondContact CE-OE1 3.36Å; K621-E636 HydrophobicContact CG-CG 4.09Å; K621-E636 IonicContact NZ-OE1 3.33Å; K621-E636 PolarHBondContact NZ-OE1 3.46Å; K621-L666 WeakPolarHBondContact O-CA 3.18Å; K621-S667 PolarHBondContact N-O 3.35Å; K621-S667 PolarHBondContact O-N 3.18Å
622	F	94.5	Very high	91.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	145.2	160	-72.1	-82	0	0	0	110.3	F589 C607 F609 T634 S635 H637 I646 I650 I664 K665 L666	F589-F622 AromaticContact CD2-CE1 3.73Å; F589-F622 HydrophobicContact CD2-CE1 3.73Å; F589-F622 HydrophobicContact CE2-CD1 4.38Å; F589-F622 HydrophobicContact CE2-CE1 4.01Å; F589-F622 HydrophobicContact CG-CE1 4.27Å; C607-F622 HydrophobicContact CB-CD1 3.84Å; C607-F622 HydrophobicContact CB-CE1 3.47Å; C607-F622 VanDerWaalsContact CB-CE1 3.47Å; C607-F622 HydrophobicContact CB-CE2 4.22Å; C607-F622 HydrophobicContact CB-CG 4.35Å; C607-F622 HydrophobicContact CB-CZ 3.66Å; F609-F622 HydrophobicContact CB-CZ 3.76Å; F622-T634 CarbonylContact O-C 3.56Å; F622-T634 VanDerWaalsContact O-CA 3.25Å; F622-T634 WeakPolarHBondContact O-CA 3.39Å; F622-S635 PolarHBondContact N-O 3.44Å; F622-S635 PolarHBondContact O-N 3.34Å; F622-H637 AromaticContact CD2-CD2 3.86Å; F622-H637 AromaticContact CD2-NE2 3.88Å; F622-I646 HydrophobicContact CE2-CD1 3.75Å; F622-I646 HydrophobicContact CE2-CG1 4.35Å; F622-I646 HydrophobicContact CZ-CD1 4.46Å; F622-I650 HydrophobicContact CB-CD1 3.62Å; F622-I650 HydrophobicContact CB-CG1 4.43Å; F622-I650 HydrophobicContact CG-CD1 4.49Å; F622-I664 HydrophobicContact CD1-CG2 4.48Å; F622-K665 CarbonylContact C-O 3.6Å; F622-K665 VanDerWaalsContact CA-O 3.25Å; F622-K665 WeakPolarHBondContact CA-O 3.32Å; F622-L666 HydrophobicContact CD1-CB 4.07Å; F622-L666 HydrophobicContact CD1-CD1 4.2Å; F622-L666 HydrophobicContact CE1-CB 3.97Å; F622-L666 HydrophobicContact CE1-CD1 3.54Å; F622-L666 HydrophobicContact CE1-CG 4.28Å; F622-L666 HydrophobicContact CE2-CD1 4.04Å; F622-L666 HydrophobicContact CZ-CD1 3.48Å; F622-L666 VanDerWaalsContact CZ-CD1 3.48Å
623	S	93.2	Very high	91.6	Very high	19 Å²	19	32.9 Å²	32.9	13%	0.133	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	149.3	169.3	65.5	0	0	0	0	111.4	Q633 I664 K665	S623-Q633 CarbonylContact C-O 3.44Å; S623-Q633 WeakPolarHBondContact CA-O 3.27Å; S623-I664 CarbonylContact O-C 3.52Å; S623-I664 VanDerWaalsContact O-CA 3.26Å; S623-I664 WeakPolarHBondContact O-CA 3.48Å; S623-K665 PolarHBondContact N-O 3.21Å; S623-K665 PolarHBondContact O-N 3.01Å; S623-K665 WeakPolarHBondContact OG-CB 3.4Å
624	L	93.9	Very high	91.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	126.9	179.2	178.2	156.8	0	0	0	109.6	C605 I629 Q633 I650 C652 F662 I663 I664	C605-L624 HydrophobicContact CB-CD1 3.48Å; C605-L624 VanDerWaalsContact CB-CD1 3.48Å; L624-I629 HydrophobicContact CD2-CD1 3.62Å; L624-Q633 HydrophobicContact CB-CB 4.5Å; L624-Q633 PolarHBondContact N-O 2.91Å; L624-Q633 PolarHBondContact O-N 2.86Å; L624-I650 HydrophobicContact CB-CB 4.49Å; L624-I650 HydrophobicContact CB-CD1 4.09Å; L624-I650 HydrophobicContact CB-CG2 3.86Å; L624-I650 HydrophobicContact CD1-CB 4.4Å; L624-I650 HydrophobicContact CD1-CG2 4.33Å; L624-C652 HydrophobicContact CD2-CB 4.07Å; L624-F662 HydrophobicContact CD1-CD1 4.48Å; L624-F662 HydrophobicContact CD2-CD1 3.81Å; L624-F662 HydrophobicContact CD2-CE1 4.25Å; L624-F662 HydrophobicContact CG-CD1 4.3Å; L624-I663 WeakPolarHBondContact CA-O 3.46Å; L624-I664 HydrophobicContact CD1-CG1 4.24Å; L624-I664 HydrophobicContact CG-CG1 4.38Å
625	E	93.2	Very high	91.9	Very high	28 Å²	28	35.2 Å²	35.2	13%	0.131	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	147.8	-179.7	-165.1	-178.8	131.6	0	0	111.9	N180 T247 L632 F662 I663	N180-E625 PolarHBondContact ND2-OE1 2.73Å; T247-E625 WeakPolarHBondContact CB-OE2 3.19Å; T247-E625 WeakPolarHBondContact CG2-OE2 3.47Å; T247-E625 PolarHBondContact OG1-OE1 3.45Å; T247-E625 VanDerWaalsContact OG1-OE1 3.07Å; T247-E625 PolarHBondContact OG1-OE2 3Å; E625-L632 HydrophobicContact CB-CD1 3.85Å; E625-L632 HydrophobicContact CG-CD1 4.36Å; E625-F662 CarbonylContact O-C 3.51Å; E625-F662 WeakPolarHBondContact O-CA 3.01Å; E625-I663 PolarHBondContact N-O 3.22Å; E625-I663 PolarHBondContact O-N 3.2Å
626	S	94.3	Very high	92.2	Very high	6 Å²	6	40.3 Å²	40.3	4%	0.042	23%	0.23	C	C	.	.			trans	-157.7	148.4	169.4	-175.8	0	0	0	0	110.2	G628 I629 K661	S626-G628 PolarHBondContact O-N 3.15Å; S626-G628 VanDerWaalsContact O-N 3.1Å; S626-G628 PolarHBondContact OG-N 2.92Å; S626-I629 VanDerWaalsContact O-CG1 3.31Å; S626-I629 WeakPolarHBondContact O-CG1 3.42Å; S626-I629 PolarHBondContact O-N 3.07Å; S626-I629 VanDerWaalsContact O-N 3.15Å; S626-K661 VanDerWaalsContact CB-O 3.24Å; S626-K661 WeakPolarHBondContact CB-O 3.31Å; S626-K661 PolarHBondContact OG-O 3.49Å
627	L	93.4	Very high	92.3	Very high	16 Å²	16	40.3 Å²	40.3	8%	0.084	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-10.4	164.5	-62.7	178.8	0	0	0	112.7	D162 T163 N180 E185 K656	D162-L627 HydrophobicContact CB-CD1 3.99Å; D162-L627 WeakPolarHBondContact OD2-CD1 3.3Å; T163-L627 HydrophobicContact CG2-CD1 4.05Å; N180-L627 HydrophobicContact CB-CD1 4.36Å; N180-L627 HydrophobicContact CB-CD2 4.06Å; N180-L627 HydrophobicContact CB-CG 4.1Å; E185-L627 HydrophobicContact CG-CD2 3.86Å; L627-K656 WeakPolarHBondContact O-CD 3.45Å; L627-K656 VanDerWaalsContact O-CE 3.24Å; L627-K656 WeakPolarHBondContact O-CE 3.48Å; L627-K656 PolarHBondContact O-NZ 2.81Å
628	G	91.3	Very high	92.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-4.3	174.3	0	0	0	0	0	115.7	S626 P654 I655	S626-G628 PolarHBondContact O-N 3.15Å; S626-G628 VanDerWaalsContact O-N 3.1Å; S626-G628 PolarHBondContact OG-N 2.92Å; G628-P654 CarbonylContact O-C 3.59Å; G628-P654 WeakPolarHBondContact O-CA 2.99Å; G628-I655 VanDerWaalsContact O-CG1 3.31Å; G628-I655 WeakPolarHBondContact O-CG1 3.23Å; G628-I655 PolarHBondContact O-N 3.09Å
629	I	92.3	Very high	92.6	Very high	14 Å²	14	43.5 Å²	43.5	7%	0.072	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-123.5	164.8	-179.5	66.1	173.8	0	0	0	111.2	L624 S626 S631 Q633 C652 F662	L624-I629 HydrophobicContact CD2-CD1 3.62Å; S626-I629 VanDerWaalsContact O-CG1 3.31Å; S626-I629 WeakPolarHBondContact O-CG1 3.42Å; S626-I629 PolarHBondContact O-N 3.07Å; S626-I629 VanDerWaalsContact O-N 3.15Å; I629-S631 VanDerWaalsContact CD1-O 3.3Å; I629-S631 WeakPolarHBondContact CD1-O 3.24Å; I629-Q633 HydrophobicContact CD1-CG 4.38Å; I629-C652 HydrophobicContact CD1-CB 4.29Å; I629-C652 HydrophobicContact CG2-CB 4.14Å; I629-F662 HydrophobicContact CG2-CE1 3.81Å; I629-F662 HydrophobicContact CG2-CZ 4.23Å
630	S	84.4	Confident	92.8	Very high	94 Å²	94	40.2 Å²	40.2	66%	0.657	23%	0.234	S	C	*	.	S	Bend	trans	-76.9	-32.9	-174.9	56.2	0	0	0	0	114.7
631	S	85.6	Confident	92.9	Very high	63 Å²	63	44.8 Å²	44.8	44%	0.441	26%	0.256	S	S	.	.	S	Bend	trans	-158.5	155.1	-173	54.9	0	0	0	0	111.6	I629 Q633	I629-S631 VanDerWaalsContact CD1-O 3.3Å; I629-S631 WeakPolarHBondContact CD1-O 3.24Å; S631-Q633 PolarHBondContact O-N 3.44Å; S631-Q633 PolarHBondContact O-NE2 3.38Å; S631-Q633 PolarHBondContact OG-NE2 2.95Å
632	L	88.3	Confident	93	Very high	88 Å²	88	45.1 Å²	45.1	46%	0.461	26%	0.263	S	S	.	.			trans	-53.2	131.3	171	-176	70.7	0	0	0	110.4	E625 T634	E625-L632 HydrophobicContact CB-CD1 3.85Å; E625-L632 HydrophobicContact CG-CD1 4.36Å; L632-T634 HydrophobicContact CD2-CG2 4.04Å; L632-T634 HydrophobicContact CG-CG2 4.09Å
633	Q	93.5	Very high	93.1	Very high	57 Å²	57	46.9 Å²	46.9	27%	0.266	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	138.1	173.1	-57	-57	-54	0	0	109.2	S623 L624 I629 S631 I650 C652	S623-Q633 CarbonylContact C-O 3.44Å; S623-Q633 WeakPolarHBondContact CA-O 3.27Å; L624-Q633 HydrophobicContact CB-CB 4.5Å; L624-Q633 PolarHBondContact N-O 2.91Å; L624-Q633 PolarHBondContact O-N 2.86Å; I629-Q633 HydrophobicContact CD1-CG 4.38Å; S631-Q633 PolarHBondContact O-N 3.44Å; S631-Q633 PolarHBondContact O-NE2 3.38Å; S631-Q633 PolarHBondContact OG-NE2 2.95Å; Q633-I650 HydrophobicContact CB-CG2 3.56Å; Q633-C652 HydrophobicContact CG-CB 4Å
634	T	92.6	Very high	93.3	Very high	87 Å²	87	50 Å²	50	53%	0.534	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	156.8	-178.9	60.6	0	0	0	0	112.6	F622 L632	F622-T634 CarbonylContact O-C 3.56Å; F622-T634 VanDerWaalsContact O-CA 3.25Å; F622-T634 WeakPolarHBondContact O-CA 3.39Å; L632-T634 HydrophobicContact CD2-CG2 4.04Å; L632-T634 HydrophobicContact CG-CG2 4.09Å
635	S	94.1	Very high	93.4	Very high	30 Å²	30	53.4 Å²	53.4	21%	0.21	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	126.9	172.9	172.6	0	0	0	0	109.2	K621 F622 H637 S648	K621-S635 CarbonylContact C-O 3.58Å; K621-S635 WeakPolarHBondContact CA-O 3.47Å; F622-S635 PolarHBondContact N-O 3.44Å; F622-S635 PolarHBondContact O-N 3.34Å; S635-H637 PolarHBondContact OG-NE2 3.27Å; S635-S648 WeakPolarHBondContact CB-OG 3.49Å; S635-S648 PolarHBondContact OG-OG 3.13Å
636	E	94.9	Very high	93.6	Very high	127 Å²	127	52.9 Å²	52.9	59%	0.593	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	141.3	-177	-53.6	-166.7	154.2	0	0	111.3	K621	K621-E636 HydrophobicContact CD-CG 4.04Å; K621-E636 WeakPolarHBondContact CE-OE1 3.36Å; K621-E636 HydrophobicContact CG-CG 4.09Å; K621-E636 IonicContact NZ-OE1 3.33Å; K621-E636 PolarHBondContact NZ-OE1 3.46Å
637	H	95.1	Very high	93.7	Very high	54 Å²	54	59.6 Å²	59.6	25%	0.25	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	1.3	-174.4	-70.5	-96.4	0	0	0	113.3	V620 F622 S635 T639 I646 S648	V620-H637 HydrophobicContact CB-CB 4.29Å; V620-H637 HydrophobicContact CG1-CB 4.32Å; V620-H637 PolarHBondContact O-N 2.86Å; F622-H637 AromaticContact CD2-CD2 3.86Å; F622-H637 AromaticContact CD2-NE2 3.88Å; S635-H637 PolarHBondContact OG-NE2 3.27Å; H637-T639 PolarHBondContact O-N 3.08Å; H637-I646 HydrophobicContact CB-CD1 3.8Å; H637-S648 WeakPolarHBondContact NE2-CB 3.26Å; H637-S648 PolarHBondContact NE2-OG 2.96Å
638	G	94.5	Very high	93.7	Very high	37 Å²	37	59.1 Å²	59.1	38%	0.381	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	66.9	-124	176.5	0	0	0	0	0	112.7	D619 V620	D619-G638 WeakPolarHBondContact CA-O 3.33Å; D619-G638 PolarHBondContact N-O 3.35Å; V620-G638 PolarHBondContact N-O 2.79Å
639	T	96.3	Very high	93.9	Very high	67 Å²	67	65.1 Å²	65.1	41%	0.411	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	128.8	-178.4	-60.6	0	0	0	0	110.8	P616 L617 T618 H637	P616-T639 HydrophobicContact CB-CG2 4.21Å; L617-T639 CarbonylContact O-C 3.51Å; L617-T639 VanDerWaalsContact O-CA 3.26Å; L617-T639 WeakPolarHBondContact O-CA 3.34Å; T618-T639 HydrophobicContact CG2-CG2 3.96Å; H637-T639 PolarHBondContact O-N 3.08Å
640	V	96.3	Very high	94.1	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.006	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	116.7	175.9	-175.6	0	0	0	0	109.3	F609 N611 L617 V620 E644 I646	F609-V640 HydrophobicContact CE1-CG1 4.44Å; N611-V640 HydrophobicContact CB-CG1 3.76Å; N611-V640 PolarHBondContact ND2-O 3.19Å; L617-V640 PolarHBondContact N-O 2.93Å; L617-V640 PolarHBondContact O-N 3.32Å; V620-V640 HydrophobicContact CB-CG2 4.01Å; V620-V640 HydrophobicContact CG1-CG2 4.22Å; V620-V640 HydrophobicContact CG2-CB 4.21Å; V620-V640 HydrophobicContact CG2-CG2 3.71Å; V640-E644 HydrophobicContact CG1-CB 3.91Å; V640-E644 HydrophobicContact CG1-CG 4.19Å; V640-I646 HydrophobicContact CG1-CG2 4.24Å; V640-I646 HydrophobicContact CG2-CD1 3.9Å; V640-I646 HydrophobicContact CG2-CG1 4.42Å; V640-I646 HydrophobicContact CG2-CG2 3.81Å
641	Q	96.7	Very high	94.5	Very high	97 Å²	97	65.5 Å²	65.5	45%	0.453	36%	0.36	S	S	.	.			trans	-74.1	158.7	-176.6	-62.1	-60.6	-26.9	0	0	112.4	N611 G643 E644	N611-Q641 WeakPolarHBondContact CB-O 3.35Å; N611-Q641 PolarHBondContact ND2-O 3.22Å; Q641-G643 PolarHBondContact O-N 2.96Å; Q641-E644 HydrophobicContact CB-CB 4.28Å; Q641-E644 PolarHBondContact N-OE2 2.56Å; Q641-E644 VanDerWaalsContact O-CB 3.23Å; Q641-E644 WeakPolarHBondContact O-CB 3.22Å; Q641-E644 PolarHBondContact O-N 2.82Å; Q641-E644 VanDerWaalsContact O-N 3.08Å
642	P	95.4	Very high	95	Very high	62 Å²	62	62.7 Å²	62.7	40%	0.403	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	127.7	171.4	-28.3	36.8	0	0	0	112.1	L613 E644	L613-P642 WeakPolarHBondContact O-CB 3.49Å; P642-E644 VanDerWaalsContact C-N 3.26Å; P642-E644 PolarHBondContact O-N 3.06Å
643	G	95.5	Very high	95.4	Very high	38 Å²	38	62.7 Å²	62.7	39%	0.392	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	-13.8	-179.7	0	0	0	0	0	115.7	R610 N611 Q641	R610-G643 PolarHBondContact NE-O 2.79Å; N611-G643 WeakPolarHBondContact O-CA 3.46Å; N611-G643 PolarHBondContact O-N 2.82Å; Q641-G643 PolarHBondContact O-N 2.96Å
644	E	97.4	Very high	95.5	Very high	83 Å²	83	60 Å²	60	39%	0.388	33%	0.326	S	S	.	.			trans	-68.2	146.6	179.1	-172.7	178.1	-179	0	0	111.6	R610 N611 V640 Q641 P642	R610-E644 WeakPolarHBondContact CA-O 3.37Å; N611-E644 PolarHBondContact N-O 3.35Å; V640-E644 HydrophobicContact CG1-CB 3.91Å; V640-E644 HydrophobicContact CG1-CG 4.19Å; Q641-E644 HydrophobicContact CB-CB 4.28Å; Q641-E644 PolarHBondContact N-OE2 2.56Å; Q641-E644 VanDerWaalsContact O-CB 3.23Å; Q641-E644 WeakPolarHBondContact O-CB 3.22Å; Q641-E644 PolarHBondContact O-N 2.82Å; Q641-E644 VanDerWaalsContact O-N 3.08Å; P642-E644 VanDerWaalsContact C-N 3.26Å; P642-E644 PolarHBondContact O-N 3.06Å
645	T	97.1	Very high	95.6	Very high	73 Å²	73	60 Å²	60	45%	0.448	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.2	176.5	-56.8	0	0	0	0	110	I608 F609 R610	I608-T645 HydrophobicContact CG2-CG2 3.76Å; F609-T645 CarbonylContact O-C 3.6Å; F609-T645 VanDerWaalsContact O-CA 3.32Å; F609-T645 WeakPolarHBondContact O-CA 3.14Å; R610-T645 HydrophobicContact CB-CG2 4.42Å; R610-T645 WeakPolarHBondContact CG-OG1 3.42Å
646	I	96.9	Very high	95.5	Very high	17 Å²	17	60.2 Å²	60.2	9%	0.087	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	149.7	174.5	59.8	166.9	0	0	0	110.7	I608 F609 V620 F622 H637 V640	I608-I646 WeakPolarHBondContact CA-O 3.14Å; F609-I646 HydrophobicContact CB-CD1 4.49Å; F609-I646 HydrophobicContact CB-CG1 4.02Å; F609-I646 HydrophobicContact CD1-CD1 4.16Å; F609-I646 HydrophobicContact CD1-CG1 4.02Å; F609-I646 PolarHBondContact N-O 2.9Å; F609-I646 PolarHBondContact O-N 2.85Å; V620-I646 HydrophobicContact CG1-CD1 3.87Å; F622-I646 HydrophobicContact CE2-CD1 3.75Å; F622-I646 HydrophobicContact CE2-CG1 4.35Å; F622-I646 HydrophobicContact CZ-CD1 4.46Å; H637-I646 HydrophobicContact CB-CD1 3.8Å; V640-I646 HydrophobicContact CG1-CG2 4.24Å; V640-I646 HydrophobicContact CG2-CD1 3.9Å; V640-I646 HydrophobicContact CG2-CG1 4.42Å; V640-I646 HydrophobicContact CG2-CG2 3.81Å
647	Q	95.7	Very high	95.5	Very high	147 Å²	147	57.5 Å²	57.5	69%	0.687	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	135.8	173.4	-61.2	-173.6	-2.8	0	0	109.2	C607 I608	C607-Q647 CarbonylContact O-C 3.48Å; C607-Q647 WeakPolarHBondContact O-CA 3.46Å; I608-Q647 HydrophobicContact CG1-CG 4.16Å; I608-Q647 HydrophobicContact CG2-CG 4.21Å
648	S	94.6	Very high	95.4	Very high	6 Å²	6	56 Å²	56	4%	0.042	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140.1	-178.7	-171.4	0	0	0	0	110.9	N606 C607 S635 H637	N606-S648 CarbonylContact C-O 3.5Å; N606-S648 WeakPolarHBondContact CA-O 3.49Å; C607-S648 PolarHBondContact N-O 3.32Å; C607-S648 PolarHBondContact O-N 2.82Å; S635-S648 WeakPolarHBondContact CB-OG 3.49Å; S635-S648 PolarHBondContact OG-OG 3.13Å; H637-S648 WeakPolarHBondContact NE2-CB 3.26Å; H637-S648 PolarHBondContact NE2-OG 2.96Å
649	Q	95.1	Very high	95.3	Very high	126 Å²	126	58.7 Å²	58.7	59%	0.589	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.5	110.7	170.5	-65.9	-165.1	-22.5	0	0	109.6	V604 C605 N606	V604-Q649 HydrophobicContact CG1-CB 4.29Å; C605-Q649 WeakPolarHBondContact O-CA 3.43Å; N606-Q649 WeakPolarHBondContact OD1-CG 3.28Å; N606-Q649 PolarHBondContact OD1-NE2 3.1Å
650	I	95.2	Very high	95.2	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.026	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	126.5	176.3	-46.7	171	0	0	0	108.1	C605 F622 L624 Q633	C605-I650 HydrophobicContact CB-CB 4.26Å; C605-I650 PolarHBondContact N-O 3.02Å; C605-I650 PolarHBondContact O-N 3.1Å; F622-I650 HydrophobicContact CB-CD1 3.62Å; F622-I650 HydrophobicContact CB-CG1 4.43Å; F622-I650 HydrophobicContact CG-CD1 4.49Å; L624-I650 HydrophobicContact CB-CB 4.49Å; L624-I650 HydrophobicContact CB-CD1 4.09Å; L624-I650 HydrophobicContact CB-CG2 3.86Å; L624-I650 HydrophobicContact CD1-CB 4.4Å; L624-I650 HydrophobicContact CD1-CG2 4.33Å; Q633-I650 HydrophobicContact CB-CG2 3.56Å
651	K	94.4	Very high	95.1	Very high	111 Å²	111	57.3 Å²	57.3	48%	0.483	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	135.3	-176.8	-67.4	177.8	-177.9	175.5	0	109.5	L602 V604	L602-K651 HydrophobicContact CD1-CB 3.87Å; L602-K651 HydrophobicContact CD1-CD 4.46Å; L602-K651 HydrophobicContact CD1-CG 4.38Å; L602-K651 HydrophobicContact CD2-CD 4.24Å; V604-K651 HydrophobicContact CG2-CG 4.31Å
652	C	95.2	Very high	94.9	Very high	4 Å²	4	52.7 Å²	52.7	3%	0.027	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	162.4	175.9	66.3	0	0	0	0	111.2	L603 L624 I629 Q633	L603-C652 PolarHBondContact N-O 3.47Å; L603-C652 PolarHBondContact O-N 2.85Å; L624-C652 HydrophobicContact CD2-CB 4.07Å; I629-C652 HydrophobicContact CD1-CB 4.29Å; I629-C652 HydrophobicContact CG2-CB 4.14Å; Q633-C652 HydrophobicContact CG-CB 4Å
653	I	96.2	Very high	94.8	Very high	87 Å²	87	49.8 Å²	49.8	45%	0.446	27%	0.269	S	S	.	.			trans	-122.1	111.1	178.3	-60	176.4	0	0	0	108	L602	L602-I653 HydrophobicContact CD1-CG1 4.37Å
654	P	96.1	Very high	94.8	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-62.6	139.3	174.6	-22.5	35	0	0	0	111.9	V599 G600 Q601 L603 G628 I682	V599-P654 WeakPolarHBondContact CA-O 3.49Å; G600-P654 PolarHBondContact N-O 2.86Å; Q601-P654 WeakPolarHBondContact O-CD 3.5Å; L603-P654 HydrophobicContact CB-CG 4.21Å; L603-P654 HydrophobicContact CD2-CG 4.29Å; G628-P654 CarbonylContact O-C 3.59Å; G628-P654 WeakPolarHBondContact O-CA 2.99Å; P654-I682 HydrophobicContact CB-CD1 3.85Å; P654-I682 HydrophobicContact CB-CG1 4.04Å; P654-I682 HydrophobicContact CB-CG2 3.66Å; P654-I682 HydrophobicContact CG-CD1 3.72Å; P654-I682 HydrophobicContact CG-CG1 4.46Å; P654-I682 HydrophobicContact CG-CG2 4.48Å
655	I	94.9	Very high	94.5	Very high	88 Å²	88	44.6 Å²	44.6	45%	0.451	24%	0.235	S	C	.	.			trans	-119.7	-9.4	179.8	57.6	158.5	0	0	0	113.2	G628	G628-I655 VanDerWaalsContact O-CG1 3.31Å; G628-I655 WeakPolarHBondContact O-CG1 3.23Å; G628-I655 PolarHBondContact O-N 3.09Å
656	K	92.4	Very high	94.3	Very high	35 Å²	35	41.1 Å²	41.1	15%	0.152	21%	0.213	C	C	.	.	S	Bend	trans	-128.3	139.8	179.2	-59.7	-173.5	-160.9	-178.7	0	111.2	E185 L627 I682	E185-K656 IonicContact OE1-NZ 2.7Å; E185-K656 PolarHBondContact OE1-NZ 3.13Å; E185-K656 IonicContact OE2-NZ 3.51Å; E185-K656 PolarHBondContact OE2-NZ 2.84Å; L627-K656 WeakPolarHBondContact O-CD 3.45Å; L627-K656 VanDerWaalsContact O-CE 3.24Å; L627-K656 WeakPolarHBondContact O-CE 3.48Å; L627-K656 PolarHBondContact O-NZ 2.81Å; K656-I682 VanDerWaalsContact O-CB 3.28Å; K656-I682 WeakPolarHBondContact O-CB 3.46Å; K656-I682 WeakPolarHBondContact O-CG2 3.29Å
657	T	93.9	Very high	94	Very high	70 Å²	70	42 Å²	42	43%	0.429	22%	0.221	S	C	.	.			trans	-79.8	168	176.4	59.5	0	0	0	0	112.3	V599 K660 I682 K684	V599-T657 HydrophobicContact CG2-CG2 3.68Å; T657-K660 WeakPolarHBondContact O-CE 3.26Å; T657-I682 CarbonylContact C-O 3.51Å; T657-I682 VanDerWaalsContact CA-O 3.3Å; T657-I682 WeakPolarHBondContact CA-O 3.45Å; T657-K684 HydrophobicContact CG2-CG 3.85Å
658	G	93.3	Very high	93.7	Very high	21 Å²	21	35.5 Å²	35.5	22%	0.216	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	94.9	-179.2	179	0	0	0	0	0	113.2	K660 I682	G658-K660 PolarHBondContact O-N 2.93Å; G658-I682 PolarHBondContact N-O 3.41Å; G658-I682 PolarHBondContact O-N 3.07Å
659	P	93.3	Very high	93.2	Very high	94 Å²	94	41 Å²	41	61%	0.61	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65	124.5	172.8	27.5	-32.8	0	0	0	109.6	I679	P659-I679 HydrophobicContact CB-CG2 3.88Å
660	K	93.8	Very high	92.7	Very high	26 Å²	26	36.5 Å²	36.5	11%	0.113	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	129.1	178.1	-63.1	-62.5	167.1	-165.5	0	110.3	T657 G658 F662 I679 V680 I682	T657-K660 WeakPolarHBondContact O-CE 3.26Å; G658-K660 PolarHBondContact O-N 2.93Å; K660-F662 HydrophobicContact CB-CE2 3.93Å; K660-F662 WeakPolarHBondContact O-CD2 3.4Å; K660-I679 WeakPolarHBondContact O-CA 2.99Å; K660-V680 PolarHBondContact N-O 2.96Å; K660-V680 PolarHBondContact O-N 2.79Å; K660-I682 HydrophobicContact CB-CG1 4.26Å; K660-I682 HydrophobicContact CG-CG1 4.02Å
661	K	93.2	Very high	92.2	Very high	13 Å²	13	36.3 Å²	36.3	6%	0.057	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	125.3	173.8	-173.7	175.3	-76.3	176.5	0	108.6	T163 D429 S626 I663	T163-K661 HydrophobicContact CG2-CB 4.18Å; T163-K661 HydrophobicContact CG2-CD 4.46Å; T163-K661 PolarHBondContact OG1-NZ 2.92Å; D429-K661 VanDerWaalsContact CG-NZ 3.28Å; D429-K661 IonicContact OD1-NZ 2.69Å; D429-K661 PolarHBondContact OD1-NZ 3.15Å; D429-K661 WeakPolarHBondContact OD2-CE 3.26Å; D429-K661 IonicContact OD2-NZ 3.53Å; D429-K661 PolarHBondContact OD2-NZ 3.33Å; S626-K661 VanDerWaalsContact CB-O 3.24Å; S626-K661 WeakPolarHBondContact CB-O 3.31Å; S626-K661 PolarHBondContact OG-O 3.49Å; K661-I663 HydrophobicContact CG-CG1 4.5Å
662	F	94	Very high	91.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126	171.6	-72.9	-100.9	0	0	0	107.8	L593 L603 L624 E625 I629 K660 I664 Q677 K678 V680 I682	L593-F662 HydrophobicContact CD2-CB 3.68Å; L593-F662 HydrophobicContact CD2-CD1 4.19Å; L593-F662 HydrophobicContact CD2-CD2 4.01Å; L593-F662 HydrophobicContact CD2-CG 3.69Å; L603-F662 HydrophobicContact CD2-CE1 3.99Å; L603-F662 HydrophobicContact CD2-CE2 4.31Å; L603-F662 HydrophobicContact CD2-CZ 3.76Å; L624-F662 HydrophobicContact CD1-CD1 4.48Å; L624-F662 HydrophobicContact CD2-CD1 3.81Å; L624-F662 HydrophobicContact CD2-CE1 4.25Å; L624-F662 HydrophobicContact CG-CD1 4.3Å; E625-F662 CarbonylContact O-C 3.51Å; E625-F662 WeakPolarHBondContact O-CA 3.01Å; I629-F662 HydrophobicContact CG2-CE1 3.81Å; I629-F662 HydrophobicContact CG2-CZ 4.23Å; K660-F662 HydrophobicContact CB-CE2 3.93Å; K660-F662 WeakPolarHBondContact O-CD2 3.4Å; F662-I664 HydrophobicContact CB-CD1 4.21Å; F662-Q677 CarbonylContact O-C 3.59Å; F662-Q677 WeakPolarHBondContact O-CA 3.49Å; F662-K678 PolarHBondContact N-O 2.86Å; F662-K678 PolarHBondContact O-N 3.38Å; F662-V680 HydrophobicContact CD2-CB 3.94Å; F662-V680 HydrophobicContact CD2-CG2 3.59Å; F662-V680 HydrophobicContact CE2-CB 3.73Å; F662-V680 HydrophobicContact CE2-CG2 3.82Å; F662-V680 HydrophobicContact CG-CG2 4.44Å; F662-I682 HydrophobicContact CE2-CD1 4.38Å; F662-I682 HydrophobicContact CZ-CD1 4.43Å
663	I	93.4	Very high	90.6	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	121.5	176.3	-60.8	163.2	0	0	0	106.8	P178 N180 L624 E625 K661 K665	P178-I663 HydrophobicContact CB-CD1 3.68Å; P178-I663 HydrophobicContact CB-CG1 3.74Å; P178-I663 HydrophobicContact CB-CG2 4.11Å; P178-I663 HydrophobicContact CG-CG1 4.38Å; P178-I663 HydrophobicContact CG-CG2 3.97Å; N180-I663 WeakPolarHBondContact OD1-CD1 3.49Å; L624-I663 WeakPolarHBondContact CA-O 3.46Å; E625-I663 PolarHBondContact N-O 3.22Å; E625-I663 PolarHBondContact O-N 3.2Å; K661-I663 HydrophobicContact CG-CG1 4.5Å; I663-K665 HydrophobicContact CG2-CG 4.13Å
664	I	93.8	Very high	90.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.9	176.1	-56.8	78.3	0	0	0	107	F589 V591 F622 S623 L624 F662 N675 A676	F589-I664 HydrophobicContact CE2-CB 4.24Å; F589-I664 HydrophobicContact CE2-CG2 3.63Å; F589-I664 HydrophobicContact CZ-CB 4.28Å; F589-I664 HydrophobicContact CZ-CG2 3.95Å; V591-I664 HydrophobicContact CG1-CD1 3.98Å; V591-I664 HydrophobicContact CG1-CG1 4.11Å; V591-I664 HydrophobicContact CG2-CB 4.19Å; V591-I664 HydrophobicContact CG2-CG1 4.37Å; V591-I664 HydrophobicContact CG2-CG2 4.18Å; F622-I664 HydrophobicContact CD1-CG2 4.48Å; S623-I664 CarbonylContact O-C 3.52Å; S623-I664 VanDerWaalsContact O-CA 3.26Å; S623-I664 WeakPolarHBondContact O-CA 3.48Å; L624-I664 HydrophobicContact CD1-CG1 4.24Å; L624-I664 HydrophobicContact CG-CG1 4.38Å; F662-I664 HydrophobicContact CB-CD1 4.21Å; I664-N675 CarbonylContact O-C 3.58Å; I664-N675 WeakPolarHBondContact O-CA 3.35Å; I664-A676 PolarHBondContact N-O 2.79Å; I664-A676 PolarHBondContact O-N 2.8Å; I664-A676 VanDerWaalsContact O-O 3.11Å
665	K	92.2	Very high	89.9	Confident	13 Å²	13	31.2 Å²	31.2	6%	0.057	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142.9	176.8	-45.8	-166.7	154.4	178.5	0	110.9	W246 T247 F622 S623 I663 E673 I674 N675	W246-K665 PolarHBondContact O-NZ 3.36Å; T247-K665 HydrophobicContact CG2-CD 4.06Å; T247-K665 VanDerWaalsContact CG2-CE 3.42Å; F622-K665 CarbonylContact C-O 3.6Å; F622-K665 VanDerWaalsContact CA-O 3.25Å; F622-K665 WeakPolarHBondContact CA-O 3.32Å; S623-K665 PolarHBondContact N-O 3.21Å; S623-K665 PolarHBondContact O-N 3.01Å; S623-K665 WeakPolarHBondContact OG-CB 3.4Å; I663-K665 HydrophobicContact CG2-CG 4.13Å; K665-E673 IonicContact NZ-OE2 3.66Å; K665-I674 WeakPolarHBondContact CA-O 3.42Å; K665-N675 VanDerWaalsContact CD-OD1 3.3Å; K665-N675 WeakPolarHBondContact CD-OD1 3.31Å; K665-N675 VanDerWaalsContact CE-OD1 3.28Å; K665-N675 WeakPolarHBondContact CE-OD1 3.48Å; K665-N675 WeakPolarHBondContact CG-OD1 3.36Å
666	L	92.8	Very high	89.7	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	132.1	160.2	-178.8	144.1	0	0	0	108.8	F589 F609 V620 K621 F622 I674	F589-L666 HydrophobicContact CD1-CB 4.28Å; F589-L666 HydrophobicContact CE1-CB 4.26Å; F609-L666 HydrophobicContact CB-CD1 3.74Å; F609-L666 HydrophobicContact CD1-CD1 3.73Å; F609-L666 HydrophobicContact CD2-CD1 3.7Å; F609-L666 HydrophobicContact CD2-CD2 4.48Å; F609-L666 HydrophobicContact CE1-CD1 4.23Å; F609-L666 HydrophobicContact CE2-CD1 4.16Å; F609-L666 HydrophobicContact CE2-CD2 4.14Å; F609-L666 HydrophobicContact CG-CD1 3.43Å; F609-L666 VanDerWaalsContact CG-CD1 3.43Å; F609-L666 HydrophobicContact CZ-CD1 4.42Å; F609-L666 HydrophobicContact CZ-CD2 4.21Å; V620-L666 HydrophobicContact CG1-CD1 4.1Å; V620-L666 HydrophobicContact CG1-CG 4.29Å; K621-L666 WeakPolarHBondContact O-CA 3.18Å; F622-L666 HydrophobicContact CD1-CB 4.07Å; F622-L666 HydrophobicContact CD1-CD1 4.2Å; F622-L666 HydrophobicContact CE1-CB 3.97Å; F622-L666 HydrophobicContact CE1-CD1 3.54Å; F622-L666 HydrophobicContact CE1-CG 4.28Å; F622-L666 HydrophobicContact CE2-CD1 4.04Å; F622-L666 HydrophobicContact CZ-CD1 3.48Å; F622-L666 VanDerWaalsContact CZ-CD1 3.48Å; L666-I674 HydrophobicContact CD2-CD1 3.84Å; L666-I674 PolarHBondContact N-O 2.82Å; L666-I674 PolarHBondContact O-N 2.79Å
667	S	90.3	Very high	89.6	Confident	36 Å²	36	29.4 Å²	29.4	25%	0.252	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	151.7	176.7	60.9	0	0	0	0	110.9	V620 K621 V671 K672	V620-S667 CarbonylContact C-O 3.42Å; V620-S667 WeakPolarHBondContact CA-O 3.31Å; K621-S667 PolarHBondContact N-O 3.35Å; K621-S667 PolarHBondContact O-N 3.18Å; S667-V671 CarbonylContact C-O 3.59Å; S667-K672 WeakPolarHBondContact CB-O 3.31Å
668	S	89.2	Confident	89.5	Confident	10 Å²	10	29 Å²	29	7%	0.07	16%	0.156	C	C	.	.			trans	-146.3	-180	172.1	75.9	0	0	0	0	109.9	T618 Q670 V671	T618-S668 WeakPolarHBondContact O-CB 3.16Å; S668-Q670 VanDerWaalsContact C-N 3.31Å; S668-Q670 PolarHBondContact O-N 3.24Å; S668-Q670 PolarHBondContact OG-N 3.43Å; S668-V671 PolarHBondContact N-O 3.27Å; S668-V671 VanDerWaalsContact O-O 3.13Å; S668-V671 PolarHBondContact OG-N 2.93Å; S668-V671 PolarHBondContact OG-O 3.17Å
669	K	85	Confident	89.5	Confident	120 Å²	120	32.6 Å²	32.6	52%	0.522	17%	0.17	S	C	.	.	S	Bend	trans	-64.2	-35.4	173.6	-71.5	-168.8	176.1	-174.9	0	112.9	T618 D619 K672	T618-K669 PolarHBondContact O-N 3.4Å; D619-K669 HydrophobicContact CB-CG 4.15Å; K669-K672 WeakPolarHBondContact O-CE 3.23Å; K669-K672 PolarHBondContact O-NZ 2.97Å
670	Q	85.1	Confident	89.7	Confident	33 Å²	33	28.1 Å²	28.1	15%	0.154	14%	0.141	C	C	.	.	S	Bend	trans	-92.5	-29.9	-176	-61.5	74	16.9	0	0	112.5	L484 I615 L617 T618 S668	L484-Q670 HydrophobicContact CD2-CB 4.17Å; L484-Q670 WeakPolarHBondContact CD2-O 3.41Å; I615-Q670 HydrophobicContact CD1-CB 4.24Å; I615-Q670 HydrophobicContact CD1-CG 4.15Å; L617-Q670 HydrophobicContact CD2-CB 3.81Å; L617-Q670 HydrophobicContact CD2-CG 4.49Å; T618-Q670 PolarHBondContact OG1-NE2 2.87Å; T618-Q670 VanDerWaalsContact OG1-NE2 3.09Å; T618-Q670 PolarHBondContact OG1-OE1 3.49Å; S668-Q670 VanDerWaalsContact C-N 3.31Å; S668-Q670 PolarHBondContact O-N 3.24Å; S668-Q670 PolarHBondContact OG-N 3.43Å
671	V	83.7	Confident	89.8	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.			trans	-118.4	103.3	-179.4	177.8	0	0	0	0	108.1	L484 Y586 L613 L617 S667 S668 I674	L484-V671 HydrophobicContact CD2-CG2 4.17Å; Y586-V671 HydrophobicContact CD1-CB 4.46Å; Y586-V671 HydrophobicContact CD1-CG1 3.9Å; Y586-V671 HydrophobicContact CD1-CG2 3.91Å; Y586-V671 HydrophobicContact CD2-CG1 3.94Å; Y586-V671 HydrophobicContact CE1-CG1 4.3Å; Y586-V671 HydrophobicContact CE1-CG2 4.17Å; Y586-V671 HydrophobicContact CE2-CG1 4.34Å; Y586-V671 HydrophobicContact CG-CG1 3.72Å; L613-V671 HydrophobicContact CD1-CG2 3.75Å; L617-V671 HydrophobicContact CD1-CG2 4.32Å; L617-V671 HydrophobicContact CD2-CB 4.5Å; L617-V671 HydrophobicContact CD2-CG2 3.7Å; S667-V671 CarbonylContact C-O 3.59Å; S668-V671 PolarHBondContact N-O 3.27Å; S668-V671 VanDerWaalsContact O-O 3.13Å; S668-V671 PolarHBondContact OG-N 2.93Å; S668-V671 PolarHBondContact OG-O 3.17Å; V671-I674 HydrophobicContact CG1-CD1 3.58Å; V671-I674 HydrophobicContact CG1-CG1 3.75Å
672	K	77.4	Confident	90	Very high	10 Å²	10	30.6 Å²	30.6	4%	0.043	16%	0.155	C	C	.	.			trans	-68.4	-43.9	-169.4	-57.8	-51.9	-176.2	-178.1	0	112.9	Y244 L555 D556 D557 S667 K669	Y244-K672 HydrophobicContact CD2-CB 4.37Å; L555-K672 WeakPolarHBondContact O-CE 3.37Å; L555-K672 PolarHBondContact O-NZ 3.46Å; D556-K672 VanDerWaalsContact O-CD 3.3Å; D556-K672 WeakPolarHBondContact O-CD 3.36Å; D556-K672 WeakPolarHBondContact O-CE 3.19Å; D556-K672 IonicContact OD1-NZ 2.64Å; D557-K672 VanDerWaalsContact O-CE 3.31Å; D557-K672 WeakPolarHBondContact O-CE 3.33Å; S667-K672 WeakPolarHBondContact CB-O 3.31Å; K669-K672 WeakPolarHBondContact O-CE 3.23Å; K669-K672 PolarHBondContact O-NZ 2.97Å
673	E	79.1	Confident	90.1	Very high	26 Å²	26	33.3 Å²	33.3	12%	0.121	17%	0.172	C	C	.	.			trans	-153.7	137	172.4	65	178.8	178.6	0	0	113.2	K177 K665 N675	K177-E673 IonicContact NZ-OE1 3.07Å; K177-E673 PolarHBondContact NZ-OE1 3.26Å; K177-E673 IonicContact NZ-OE2 2.74Å; K177-E673 PolarHBondContact NZ-OE2 3.39Å; K665-E673 IonicContact NZ-OE2 3.66Å; E673-N675 PolarHBondContact OE2-ND2 2.7Å
674	I	87.3	Confident	90.1	Very high	21 Å²	21	43.4 Å²	43.4	11%	0.108	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.3	156.6	-55.4	146.8	0	0	0	105.8	Y586 P587 F589 F609 K665 L666 V671	Y586-I674 HydrophobicContact CD2-CG1 4.37Å; Y586-I674 HydrophobicContact CG-CG1 4.36Å; P587-I674 WeakPolarHBondContact O-CD1 3.37Å; F589-I674 HydrophobicContact CD1-CB 4.21Å; F589-I674 HydrophobicContact CD1-CG2 3.69Å; F589-I674 HydrophobicContact CE1-CB 4.15Å; F589-I674 HydrophobicContact CE1-CG2 3.77Å; F589-I674 WeakPolarHBondContact CE1-O 3.31Å; F609-I674 HydrophobicContact CE2-CD1 4.29Å; K665-I674 WeakPolarHBondContact CA-O 3.42Å; L666-I674 HydrophobicContact CD2-CD1 3.84Å; L666-I674 PolarHBondContact N-O 2.82Å; L666-I674 PolarHBondContact O-N 2.79Å; V671-I674 HydrophobicContact CG1-CD1 3.58Å; V671-I674 HydrophobicContact CG1-CG1 3.75Å
675	N	90.3	Very high	89.9	Confident	38 Å²	38	45.6 Å²	45.6	20%	0.203	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143	-172.8	-57.8	-54.5	0	0	0	110.7	P178 I664 K665 E673	P178-N675 HydrophobicContact CG-CB 4.12Å; I664-N675 CarbonylContact O-C 3.58Å; I664-N675 WeakPolarHBondContact O-CA 3.35Å; K665-N675 VanDerWaalsContact CD-OD1 3.3Å; K665-N675 WeakPolarHBondContact CD-OD1 3.31Å; K665-N675 VanDerWaalsContact CE-OD1 3.28Å; K665-N675 WeakPolarHBondContact CE-OD1 3.48Å; K665-N675 WeakPolarHBondContact CG-OD1 3.36Å; E673-N675 PolarHBondContact OE2-ND2 2.7Å
676	A	90.8	Very high	89.8	Confident	23 Å²	23	47.3 Å²	47.3	19%	0.19	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	154.7	166.5	0	0	0	0	0	108.7	F589 V591 I664	F589-A676 HydrophobicContact CE1-CB 4.1Å; F589-A676 HydrophobicContact CE2-CB 3.95Å; F589-A676 HydrophobicContact CZ-CB 3.54Å; V591-A676 HydrophobicContact CB-CB 4.43Å; V591-A676 HydrophobicContact CG2-CB 3.68Å; I664-A676 PolarHBondContact N-O 2.79Å; I664-A676 PolarHBondContact O-N 2.8Å; I664-A676 VanDerWaalsContact O-O 3.11Å
677	Q	90.9	Very high	89.6	Confident	63 Å²	63	49.9 Å²	49.9	29%	0.294	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	149.7	177.2	57.1	164.3	36.9	0	0	111.6	Y176 D429 F662	Y176-Q677 HydrophobicContact CE1-CG 4.37Å; Y176-Q677 VanDerWaalsContact CE1-OE1 3.28Å; Y176-Q677 PolarHBondContact OH-NE2 2.89Å; Y176-Q677 PolarHBondContact OH-OE1 2.89Å; D429-Q677 PolarHBondContact OD2-NE2 3.27Å; F662-Q677 CarbonylContact O-C 3.59Å; F662-Q677 WeakPolarHBondContact O-CA 3.49Å
678	K	91.8	Very high	89.6	Confident	61 Å²	61	50.8 Å²	50.8	27%	0.265	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	138	174.9	-179.1	149.8	172.9	174.5	0	111	L593 N595 F662 V680	L593-K678 HydrophobicContact CB-CD 4.03Å; L593-K678 HydrophobicContact CD2-CB 4.35Å; L593-K678 WeakPolarHBondContact O-CE 3.34Å; L593-K678 PolarHBondContact O-NZ 2.63Å; N595-K678 WeakPolarHBondContact OD1-CE 3.45Å; N595-K678 PolarHBondContact OD1-NZ 3.22Å; F662-K678 PolarHBondContact N-O 2.86Å; F662-K678 PolarHBondContact O-N 3.38Å; K678-V680 HydrophobicContact CG-CG2 4.44Å
679	I	93.1	Very high	89.6	Confident	97 Å²	97	53.3 Å²	53.3	50%	0.497	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	130.3	169.8	-61.4	175.7	0	0	0	108.3	P659 K660	P659-I679 HydrophobicContact CB-CG2 3.88Å; K660-I679 WeakPolarHBondContact O-CA 2.99Å
680	V	95.7	Very high	89.9	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.2	174.9	-174.2	0	0	0	0	108.5	L593 P594 L603 K660 F662 K678 I682	L593-V680 HydrophobicContact CD2-CG2 3.34Å; L593-V680 HydrophobicContact CG-CG2 3.83Å; P594-V680 WeakPolarHBondContact O-CG1 3.5Å; P594-V680 VanDerWaalsContact O-CG2 3.29Å; P594-V680 WeakPolarHBondContact O-CG2 3.3Å; L603-V680 HydrophobicContact CD2-CG1 4.38Å; K660-V680 PolarHBondContact N-O 2.96Å; K660-V680 PolarHBondContact O-N 2.79Å; F662-V680 HydrophobicContact CD2-CB 3.94Å; F662-V680 HydrophobicContact CD2-CG2 3.59Å; F662-V680 HydrophobicContact CE2-CB 3.73Å; F662-V680 HydrophobicContact CE2-CG2 3.82Å; F662-V680 HydrophobicContact CG-CG2 4.44Å; K678-V680 HydrophobicContact CG-CG2 4.44Å; V680-I682 HydrophobicContact CB-CD1 4.23Å; V680-I682 HydrophobicContact CG1-CD1 3.72Å; V680-I682 PolarHBondContact O-N 2.86Å
681	L	97.1	Very high	90.2	Very high	87 Å²	87	50 Å²	50	46%	0.455	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	112	173.5	178.8	63.3	0	0	0	109.8	N595 T596 G597	N595-L681 PolarHBondContact O-N 2.88Å; T596-L681 CarbonylContact C-O 3.52Å; T596-L681 VanDerWaalsContact CA-O 3.25Å; T596-L681 WeakPolarHBondContact CA-O 3.3Å; T596-L681 HydrophobicContact CG2-CB 4.4Å; G597-L681 PolarHBondContact N-O 2.91Å
682	I	97.4	Very high	90.8	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.015	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	118.9	177.7	-51.5	-56.1	0	0	0	110.1	G597 V599 P654 K656 T657 G658 K660 F662 V680	G597-I682 CarbonylContact O-C 3.58Å; G597-I682 WeakPolarHBondContact O-CA 3.19Å; V599-I682 HydrophobicContact CG2-CG2 3.77Å; P654-I682 HydrophobicContact CB-CD1 3.85Å; P654-I682 HydrophobicContact CB-CG1 4.04Å; P654-I682 HydrophobicContact CB-CG2 3.66Å; P654-I682 HydrophobicContact CG-CD1 3.72Å; P654-I682 HydrophobicContact CG-CG1 4.46Å; P654-I682 HydrophobicContact CG-CG2 4.48Å; K656-I682 VanDerWaalsContact O-CB 3.28Å; K656-I682 WeakPolarHBondContact O-CB 3.46Å; K656-I682 WeakPolarHBondContact O-CG2 3.29Å; T657-I682 CarbonylContact C-O 3.51Å; T657-I682 VanDerWaalsContact CA-O 3.3Å; T657-I682 WeakPolarHBondContact CA-O 3.45Å; G658-I682 PolarHBondContact N-O 3.41Å; G658-I682 PolarHBondContact O-N 3.07Å; K660-I682 HydrophobicContact CB-CG1 4.26Å; K660-I682 HydrophobicContact CG-CG1 4.02Å; F662-I682 HydrophobicContact CE2-CD1 4.38Å; F662-I682 HydrophobicContact CZ-CD1 4.43Å; V680-I682 HydrophobicContact CB-CD1 4.23Å; V680-I682 HydrophobicContact CG1-CD1 3.72Å; V680-I682 PolarHBondContact O-N 2.86Å
683	T	96.3	Very high	91.9	Very high	58 Å²	58	57.5 Å²	57.5	36%	0.356	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	169.5	174.6	73.8	0	0	0	0	111.4	G597 R598 V599	G597-T683 PolarHBondContact O-N 2.71Å; R598-T683 WeakPolarHBondContact CA-O 3.21Å; R598-T683 WeakPolarHBondContact CG-OG1 3.25Å; V599-T683 PolarHBondContact N-O 2.78Å
684	K	92.8	Very high	93	Very high	213 Å²	213	60.4 Å²	60.4	93%	0.926	30%	0.301	S	S	*	.			trans	-62	0	169.6	-68.1	-176.8	-179.5	-179.7	0	111.7	T657	T657-K684 HydrophobicContact CG2-CG 3.85Å

Retrieved 684 of 684 residues in 4585.2 ms (Link to these results)

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