A0A087YCK2_POEFO Loading...

F-box/LRR-repeat protein 13-like

AlphaFold DB , UniProt , Accession A0A087YCK2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 797 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	41.9	Very low	43.4	Very low	200 Å²	200	109.1 Å²	109.1	99%	0.985	60%	0.602	S	S	*	*				0	-49.6	0	-68.6	-166.7	-48.8	0	0	111.9	A3 A4 E5	M1-A3 VanDerWaalsContact C-N 3.32Å; M1-A3 PolarHBondContact O-N 3.16Å; M1-A4 PolarHBondContact O-N 3.48Å; M1-E5 PolarHBondContact O-N 3.39Å; M1-E5 VanDerWaalsContact O-N 3.16Å
2	A	38.1	Very low	44	Very low	76 Å²	76	110.5 Å²	110.5	63%	0.628	60%	0.604	S	S	*	*	H	α-helix	trans	-58.1	-36.1	178.8	0	0	0	0	0	114.6	A4 E5 T6	A2-A4 VanDerWaalsContact C-N 3.34Å; A2-A4 PolarHBondContact O-N 3.15Å; A2-E5 PolarHBondContact O-N 3.07Å; A2-T6 PolarHBondContact O-N 2.96Å; A2-T6 PolarHBondContact O-OG1 3.3Å
3	A	37.5	Very low	44.5	Very low	80 Å²	80	106.7 Å²	106.7	66%	0.661	59%	0.59	S	S	*	*	H	α-helix	trans	-72.3	-21.3	175.4	0	0	0	0	0	114.5	M1 T6	M1-A3 VanDerWaalsContact C-N 3.32Å; M1-A3 PolarHBondContact O-N 3.16Å; A3-T6 WeakPolarHBondContact CA-OG1 3.49Å; A3-T6 PolarHBondContact O-OG1 3.43Å
4	A	40.8	Very low	45.1	Very low	60 Å²	60	102.4 Å²	102.4	50%	0.496	56%	0.564	S	S	.	*	H	α-helix	trans	-88.1	-23.4	177.3	0	0	0	0	0	112	M1 A2 R8	M1-A4 PolarHBondContact O-N 3.48Å; A2-A4 VanDerWaalsContact C-N 3.34Å; A2-A4 PolarHBondContact O-N 3.15Å; A4-R8 WeakPolarHBondContact O-CG 3.36Å; A4-R8 PolarHBondContact O-N 3.45Å
5	E	39.4	Very low	45.7	Very low	138 Å²	138	100.4 Å²	100.4	65%	0.645	55%	0.551	S	S	*	*	H	α-helix	trans	-78	-36.7	173.4	-80.5	173.3	146.8	0	0	112	M1 A2 S9	M1-E5 PolarHBondContact O-N 3.39Å; M1-E5 VanDerWaalsContact O-N 3.16Å; A2-E5 PolarHBondContact O-N 3.07Å; E5-S9 WeakPolarHBondContact O-CB 3.25Å; E5-S9 PolarHBondContact O-N 3.08Å
6	T	40.6	Very low	46.1	Very low	80 Å²	80	103.8 Å²	103.8	49%	0.491	56%	0.559	S	S	.	*	H	α-helix	trans	-64.9	-42.8	172.7	33.1	0	0	0	0	112.2	A2 A3 R8 S9 L10	A2-T6 PolarHBondContact O-N 2.96Å; A2-T6 PolarHBondContact O-OG1 3.3Å; A3-T6 WeakPolarHBondContact CA-OG1 3.49Å; A3-T6 PolarHBondContact O-OG1 3.43Å; T6-R8 PolarHBondContact O-N 3.22Å; T6-S9 PolarHBondContact O-N 2.95Å; T6-S9 PolarHBondContact O-OG 3.25Å; T6-L10 PolarHBondContact O-N 2.81Å
7	D	44.8	Very low	46.6	Very low	97 Å²	97	106 Å²	106	52%	0.519	56%	0.564	S	S	.	*	H	α-helix	trans	-67.4	-35.7	179.4	-158.2	21.7	0	0	0	112.7	K11	D7-K11 PolarHBondContact O-N 2.97Å
8	R	48.5	Very low	46.9	Very low	201 Å²	201	100.6 Å²	100.6	76%	0.758	54%	0.536	S	S	*	.	H	α-helix	trans	-67.3	-35.4	170.4	-82.3	-178.5	177.7	178	0.4	113.2	A4 T6 M12	A4-R8 WeakPolarHBondContact O-CG 3.36Å; A4-R8 PolarHBondContact O-N 3.45Å; T6-R8 PolarHBondContact O-N 3.22Å; R8-M12 PolarHBondContact O-N 3.27Å; R8-M12 VanDerWaalsContact O-N 3.12Å
9	S	44.8	Very low	47.2	Very low	72 Å²	72	100.1 Å²	100.1	50%	0.503	53%	0.533	S	S	.	.	H	α-helix	trans	-70.9	-36.5	179	78.7	0	0	0	0	112.5	E5 T6 M12 S13	E5-S9 WeakPolarHBondContact O-CB 3.25Å; E5-S9 PolarHBondContact O-N 3.08Å; T6-S9 PolarHBondContact O-N 2.95Å; T6-S9 PolarHBondContact O-OG 3.25Å; S9-M12 PolarHBondContact O-N 3.24Å; S9-S13 PolarHBondContact O-N 3.34Å
10	L	47.8	Very low	47.4	Very low	99 Å²	99	99.6 Å²	99.6	52%	0.518	54%	0.536	S	S	.	.	H	α-helix	trans	-64.6	-50.7	174.3	-96	139.9	0	0	0	111.2	T6 M12 S13 E14	T6-L10 PolarHBondContact O-N 2.81Å; L10-M12 VanDerWaalsContact C-N 3.31Å; L10-M12 PolarHBondContact O-N 3.43Å; L10-S13 PolarHBondContact O-N 3.01Å; L10-S13 PolarHBondContact O-OG 3.32Å; L10-E14 PolarHBondContact O-N 2.86Å
11	K	53.6	Low	47.6	Very low	97 Å²	97	100 Å²	100	42%	0.422	53%	0.534	S	S	.	.	H	α-helix	trans	-58.8	-37.3	175.4	-77.2	-173.5	174	-172.8	0	113.4	D7 S13 I15	D7-K11 PolarHBondContact O-N 2.97Å; K11-S13 VanDerWaalsContact C-N 3.33Å; K11-S13 PolarHBondContact O-N 2.87Å; K11-I15 WeakPolarHBondContact O-CD1 3.22Å; K11-I15 VanDerWaalsContact O-CG1 3.24Å; K11-I15 WeakPolarHBondContact O-CG1 3.23Å; K11-I15 PolarHBondContact O-N 3.42Å
12	M	50.7	Low	48.2	Very low	126 Å²	126	91.3 Å²	91.3	62%	0.621	49%	0.492	S	S	*	.	H	α-helix	trans	-69	-28.6	175.7	-102.2	-140.9	122.9	0	0	113.7	R8 S9 L10 K16	R8-M12 PolarHBondContact O-N 3.27Å; R8-M12 VanDerWaalsContact O-N 3.12Å; S9-M12 PolarHBondContact O-N 3.24Å; L10-M12 VanDerWaalsContact C-N 3.31Å; L10-M12 PolarHBondContact O-N 3.43Å; M12-K16 PolarHBondContact O-N 3.12Å
13	S	50.2	Low	48.9	Very low	61 Å²	61	90.1 Å²	90.1	43%	0.427	48%	0.478	S	S	.	.	H	α-helix	trans	-74.8	-38.2	177.6	85.7	0	0	0	0	112	S9 L10 K11 K16 Q17	S9-S13 PolarHBondContact O-N 3.34Å; L10-S13 PolarHBondContact O-N 3.01Å; L10-S13 PolarHBondContact O-OG 3.32Å; K11-S13 VanDerWaalsContact C-N 3.33Å; K11-S13 PolarHBondContact O-N 2.87Å; S13-K16 PolarHBondContact O-N 2.97Å; S13-Q17 PolarHBondContact O-N 2.89Å
14	E	52.6	Low	49.7	Very low	47 Å²	47	93.6 Å²	93.6	22%	0.22	48%	0.479	C	S	.	.	H	α-helix	trans	-66.9	-43.3	176.8	-69.3	173.5	168.3	0	0	111.6	L10 K16 Q17 C18	L10-E14 PolarHBondContact O-N 2.86Å; E14-K16 VanDerWaalsContact C-N 3.28Å; E14-K16 PolarHBondContact O-N 3.43Å; E14-Q17 PolarHBondContact O-N 3.28Å; E14-Q17 VanDerWaalsContact O-N 3.16Å; E14-C18 PolarHBondContact O-N 2.92Å; E14-C18 VanDerWaalsContact O-N 3.11Å
15	I	53.9	Low	50.4	Low	72 Å²	72	91.2 Å²	91.2	37%	0.369	46%	0.459	S	S	.	.	H	α-helix	trans	-60.5	-37.9	175.1	-68	166.9	0	0	0	111.3	K11 L19 L55	K11-I15 WeakPolarHBondContact O-CD1 3.22Å; K11-I15 VanDerWaalsContact O-CG1 3.24Å; K11-I15 WeakPolarHBondContact O-CG1 3.23Å; K11-I15 PolarHBondContact O-N 3.42Å; I15-L19 HydrophobicContact CG2-CD1 4.24Å; I15-L19 WeakPolarHBondContact O-CB 3.4Å; I15-L19 PolarHBondContact O-N 3.25Å; I15-L55 HydrophobicContact CG1-CD1 3.82Å
16	K	53.1	Low	51.2	Low	155 Å²	155	85.3 Å²	85.3	67%	0.674	43%	0.432	S	S	*	.	H	α-helix	trans	-67.5	-34.1	177.3	-86.7	-177.5	177.1	177.9	0	112.8	M12 S13 E14	M12-K16 PolarHBondContact O-N 3.12Å; S13-K16 PolarHBondContact O-N 2.97Å; E14-K16 VanDerWaalsContact C-N 3.28Å; E14-K16 PolarHBondContact O-N 3.43Å
17	Q	54	Low	51.8	Low	141 Å²	141	86.3 Å²	86.3	66%	0.659	43%	0.434	S	S	*	.	H	α-helix	trans	-73.2	-38.8	177.3	-86.3	-177.8	-20.7	0	0	112.6	S13 E14 P20	S13-Q17 PolarHBondContact O-N 2.89Å; E14-Q17 PolarHBondContact O-N 3.28Å; E14-Q17 VanDerWaalsContact O-N 3.16Å; Q17-P20 WeakPolarHBondContact O-CD 3.33Å
18	C	51.2	Low	52.2	Low	9 Å²	9	84.2 Å²	84.2	6%	0.061	43%	0.427	C	S	.	.	H	α-helix	trans	-85.4	-9.6	-179.5	-64.2	0	0	0	0	114	E14 P20 Q21 M22	E14-C18 PolarHBondContact O-N 2.92Å; E14-C18 VanDerWaalsContact O-N 3.11Å; C18-P20 VanDerWaalsContact C-CD 3.44Å; C18-Q21 PolarHBondContact O-N 3.43Å; C18-Q21 VanDerWaalsContact O-N 3.12Å; C18-M22 HydrophobicContact CB-SD 4.32Å; C18-M22 WeakPolarHBondContact O-CG 3.24Å; C18-M22 PolarHBondContact O-N 2.98Å
19	L	53.5	Low	52.4	Low	90 Å²	90	75.5 Å²	75.5	47%	0.471	40%	0.397	S	S	.	.	H	α-helix	trans	-51	-43.7	-177	-151.6	81.7	0	0	0	114.5	I15 Q21 S23	I15-L19 HydrophobicContact CG2-CD1 4.24Å; I15-L19 WeakPolarHBondContact O-CB 3.4Å; I15-L19 PolarHBondContact O-N 3.25Å; L19-Q21 PolarHBondContact O-N 3.48Å; L19-S23 WeakPolarHBondContact O-CB 3.3Å; L19-S23 PolarHBondContact O-N 3.44Å; L19-S23 PolarHBondContact O-OG 3.33Å
20	P	50.3	Low	52.9	Low	91 Å²	91	73 Å²	73	59%	0.591	38%	0.381	S	S	*	.	H	α-helix	trans	-67.5	-35.7	-179.2	-20	34	0	0	0	112.9	Q17 C18 K24	Q17-P20 WeakPolarHBondContact O-CD 3.33Å; C18-P20 VanDerWaalsContact C-CD 3.44Å; P20-K24 WeakPolarHBondContact O-CB 3.36Å; P20-K24 PolarHBondContact O-N 2.89Å
21	Q	52.2	Low	53.1	Low	108 Å²	108	70.7 Å²	70.7	51%	0.505	37%	0.373	S	S	.	.	H	α-helix	trans	-73.9	-44.6	179.3	-67.9	175.8	-12	0	0	110.9	C18 L19 S23 K24 A25	C18-Q21 PolarHBondContact O-N 3.43Å; C18-Q21 VanDerWaalsContact O-N 3.12Å; L19-Q21 PolarHBondContact O-N 3.48Å; Q21-S23 PolarHBondContact O-N 2.82Å; Q21-K24 PolarHBondContact O-N 2.94Å; Q21-A25 PolarHBondContact O-N 2.86Å
22	M	54.4	Low	52.8	Low	18 Å²	18	72 Å²	72	9%	0.089	38%	0.384	C	S	.	.	H	α-helix	trans	-59.7	-44.6	172.7	-70.1	178.6	77	0	0	111.8	C18 K24 A25 L26 F49 L55 W60	C18-M22 HydrophobicContact CB-SD 4.32Å; C18-M22 WeakPolarHBondContact O-CG 3.24Å; C18-M22 PolarHBondContact O-N 2.98Å; M22-K24 VanDerWaalsContact C-N 3.35Å; M22-K24 PolarHBondContact O-N 3.34Å; M22-A25 PolarHBondContact O-N 3.41Å; M22-L26 VanDerWaalsContact O-CB 3.28Å; M22-L26 WeakPolarHBondContact O-CB 3.49Å; M22-L26 WeakPolarHBondContact O-CD1 3.47Å; M22-L26 VanDerWaalsContact O-CG 3.22Å; M22-L26 WeakPolarHBondContact O-CG 3.49Å; M22-L26 PolarHBondContact O-N 3.46Å; M22-F49 HydrophobicContact CE-CB 4.32Å; M22-F49 HydrophobicContact CE-CD1 4.08Å; M22-F49 HydrophobicContact CE-CD2 4.19Å; M22-F49 HydrophobicContact CE-CE1 4.47Å; M22-F49 HydrophobicContact CE-CG 3.94Å; M22-L55 HydrophobicContact CE-CD2 4.5Å; M22-W60 HydrophobicContact CG-CH2 3.43Å; M22-W60 VanDerWaalsContact CG-CH2 3.43Å; M22-W60 HydrophobicContact CG-CZ2 3.93Å; M22-W60 HydrophobicContact CG-CZ3 4.01Å; M22-W60 HydrophobicContact SD-CH2 4.3Å
23	S	52.5	Low	52.7	Low	50 Å²	50	69 Å²	69	35%	0.35	37%	0.369	S	S	.	.	H	α-helix	trans	-62.2	-43.5	178.2	-58.6	0	0	0	0	111.1	L19 Q21 L27	L19-S23 WeakPolarHBondContact O-CB 3.3Å; L19-S23 PolarHBondContact O-N 3.44Å; L19-S23 PolarHBondContact O-OG 3.33Å; Q21-S23 PolarHBondContact O-N 2.82Å; S23-L27 VanDerWaalsContact O-CB 3.24Å; S23-L27 WeakPolarHBondContact O-CB 3.44Å; S23-L27 WeakPolarHBondContact O-CD1 3.36Å; S23-L27 PolarHBondContact O-N 3.32Å
24	K	54.2	Low	52.6	Low	154 Å²	154	70.3 Å²	70.3	67%	0.67	38%	0.377	S	S	*	.	H	α-helix	trans	-65.8	-41.2	178.6	-170.5	179.8	177.8	-172.4	0	112.3	P20 Q21 M22 S28	P20-K24 WeakPolarHBondContact O-CB 3.36Å; P20-K24 PolarHBondContact O-N 2.89Å; Q21-K24 PolarHBondContact O-N 2.94Å; M22-K24 VanDerWaalsContact C-N 3.35Å; M22-K24 PolarHBondContact O-N 3.34Å; K24-S28 VanDerWaalsContact O-CB 3.29Å; K24-S28 WeakPolarHBondContact O-CB 3.11Å; K24-S28 PolarHBondContact O-N 3.43Å; K24-S28 PolarHBondContact O-OG 3.46Å
25	A	55.7	Low	52.5	Low	9 Å²	9	69.5 Å²	69.5	7%	0.074	38%	0.377	C	S	.	.	H	α-helix	trans	-67	-46.4	175.9	0	0	0	0	0	111.9	Q21 M22 L27 S28 A29	Q21-A25 PolarHBondContact O-N 2.86Å; M22-A25 PolarHBondContact O-N 3.41Å; A25-L27 PolarHBondContact O-N 2.83Å; A25-S28 PolarHBondContact O-N 2.96Å; A25-A29 WeakPolarHBondContact O-CB 3.4Å; A25-A29 PolarHBondContact O-N 2.89Å
26	L	55.9	Low	52	Low	15 Å²	15	74 Å²	74	8%	0.079	40%	0.402	C	S	.	.	H	α-helix	trans	-64.1	-41.2	178.6	-73.9	168.3	0	0	0	112.6	M22 A30 L42 V45 L46 F49	M22-L26 VanDerWaalsContact O-CB 3.28Å; M22-L26 WeakPolarHBondContact O-CB 3.49Å; M22-L26 WeakPolarHBondContact O-CD1 3.47Å; M22-L26 VanDerWaalsContact O-CG 3.22Å; M22-L26 WeakPolarHBondContact O-CG 3.49Å; M22-L26 PolarHBondContact O-N 3.46Å; L26-A30 VanDerWaalsContact O-CB 3.26Å; L26-A30 WeakPolarHBondContact O-CB 3.31Å; L26-A30 PolarHBondContact O-N 2.66Å; L26-L42 HydrophobicContact CB-CD2 4Å; L26-L42 HydrophobicContact CD2-CD2 4.19Å; L26-V45 HydrophobicContact CD2-CB 4.01Å; L26-V45 HydrophobicContact CD2-CG1 3.42Å; L26-V45 VanDerWaalsContact CD2-CG1 3.42Å; L26-L46 HydrophobicContact CD1-CD2 3.84Å; L26-L46 HydrophobicContact CD1-CG 4.34Å; L26-F49 HydrophobicContact CD2-CE2 4.21Å
27	L	54.6	Low	51.9	Low	101 Å²	101	73 Å²	73	53%	0.529	40%	0.399	S	S	.	.	H	α-helix	trans	-67	-39	174.4	-93	145.4	0	0	0	111.8	S23 A25 C31	S23-L27 VanDerWaalsContact O-CB 3.24Å; S23-L27 WeakPolarHBondContact O-CB 3.44Å; S23-L27 WeakPolarHBondContact O-CD1 3.36Å; S23-L27 PolarHBondContact O-N 3.32Å; A25-L27 PolarHBondContact O-N 2.83Å; L27-C31 VanDerWaalsContact O-CB 3.27Å; L27-C31 WeakPolarHBondContact O-CB 3.44Å; L27-C31 PolarHBondContact O-N 2.73Å; L27-C31 PolarHBondContact O-SG 2.84Å
28	S	53.5	Low	51.8	Low	53 Å²	53	68.9 Å²	68.9	37%	0.371	38%	0.384	S	S	.	.	H	α-helix	trans	-65.9	-45.5	177.7	-57.2	0	0	0	0	110.8	K24 A25 C31 L32	K24-S28 VanDerWaalsContact O-CB 3.29Å; K24-S28 WeakPolarHBondContact O-CB 3.11Å; K24-S28 PolarHBondContact O-N 3.43Å; K24-S28 PolarHBondContact O-OG 3.46Å; A25-S28 PolarHBondContact O-N 2.96Å; S28-C31 PolarHBondContact O-N 2.76Å; S28-L32 WeakPolarHBondContact O-CB 3.46Å; S28-L32 WeakPolarHBondContact O-CD1 3.49Å; S28-L32 PolarHBondContact O-N 3.39Å
29	A	52.4	Low	51.8	Low	17 Å²	17	73.2 Å²	73.2	14%	0.14	41%	0.411	C	S	.	.	H	α-helix	trans	-62.3	-44.7	175.2	0	0	0	0	0	112.3	A25 C31 L32 I33 V67	A25-A29 WeakPolarHBondContact O-CB 3.4Å; A25-A29 PolarHBondContact O-N 2.89Å; A29-C31 VanDerWaalsContact C-N 3.35Å; A29-C31 PolarHBondContact O-N 3.15Å; A29-L32 PolarHBondContact O-N 3.46Å; A29-I33 HydrophobicContact CB-CD1 4.34Å; A29-I33 VanDerWaalsContact O-CB 3.3Å; A29-I33 WeakPolarHBondContact O-CB 3.44Å; A29-I33 WeakPolarHBondContact O-CD1 3.49Å; A29-I33 WeakPolarHBondContact O-CG1 3.3Å; A29-I33 PolarHBondContact O-N 3.11Å; A29-V67 HydrophobicContact CB-CG1 4.48Å
30	A	53.8	Low	51.7	Low	20 Å²	20	72.7 Å²	72.7	17%	0.165	41%	0.406	C	S	.	.	H	α-helix	trans	-65.9	-35.5	177.4	0	0	0	0	0	112.8	L26 C34 F41	L26-A30 VanDerWaalsContact O-CB 3.26Å; L26-A30 WeakPolarHBondContact O-CB 3.31Å; L26-A30 PolarHBondContact O-N 2.66Å; A30-C34 PolarHBondContact O-N 3.38Å; A30-F41 HydrophobicContact CB-CE1 4.29Å
31	C	52.2	Low	51.9	Low	51 Å²	51	70.7 Å²	70.7	35%	0.345	39%	0.388	S	S	.	.	H	α-helix	trans	-72.3	-31.8	176.1	-69.7	0	0	0	0	112.8	L27 S28 A29 C34 L108	L27-C31 VanDerWaalsContact O-CB 3.27Å; L27-C31 WeakPolarHBondContact O-CB 3.44Å; L27-C31 PolarHBondContact O-N 2.73Å; L27-C31 PolarHBondContact O-SG 2.84Å; S28-C31 PolarHBondContact O-N 2.76Å; A29-C31 VanDerWaalsContact C-N 3.35Å; A29-C31 PolarHBondContact O-N 3.15Å; C31-C34 PolarHBondContact O-SG 2.81Å; C31-L108 HydrophobicContact CB-CD2 4.02Å
32	L	48.2	Very low	52	Low	124 Å²	124	68.2 Å²	68.2	65%	0.649	38%	0.378	S	S	*	.	H	α-helix	trans	-76	-40.6	175.8	-87.4	152.4	0	0	0	112.3	S28 A29	S28-L32 WeakPolarHBondContact O-CB 3.46Å; S28-L32 WeakPolarHBondContact O-CD1 3.49Å; S28-L32 PolarHBondContact O-N 3.39Å; A29-L32 PolarHBondContact O-N 3.46Å
33	I	48.2	Very low	51.9	Low	63 Å²	63	72.8 Å²	72.8	32%	0.323	40%	0.399	S	S	.	.	H	α-helix	trans	-87.5	-24.7	-172.2	-63.1	163.4	0	0	0	112.3	A29 P35 F41 V67 I71	A29-I33 HydrophobicContact CB-CD1 4.34Å; A29-I33 VanDerWaalsContact O-CB 3.3Å; A29-I33 WeakPolarHBondContact O-CB 3.44Å; A29-I33 WeakPolarHBondContact O-CD1 3.49Å; A29-I33 WeakPolarHBondContact O-CG1 3.3Å; A29-I33 PolarHBondContact O-N 3.11Å; I33-P35 HydrophobicContact CG2-CB 4.49Å; I33-F41 HydrophobicContact CD1-CE1 4.5Å; I33-F41 HydrophobicContact CD1-CE2 4Å; I33-F41 HydrophobicContact CD1-CZ 3.56Å; I33-V67 HydrophobicContact CD1-CG1 4.41Å; I33-I71 HydrophobicContact CD1-CD1 3.79Å; I33-I71 HydrophobicContact CG1-CD1 3.61Å
34	C	47.8	Very low	51.9	Low	88 Å²	88	78.1 Å²	78.1	60%	0.595	41%	0.411	S	S	*	.			trans	43.1	55	-177.2	-72.9	0	0	0	0	113.8	A30 C31	A30-C34 PolarHBondContact O-N 3.38Å; C31-C34 PolarHBondContact O-SG 2.81Å
35	P	50.7	Low	51.8	Low	31 Å²	31	72.4 Å²	72.4	20%	0.201	39%	0.389	C	S	.	.			trans	-66.2	143.1	-176.2	28.4	-35.4	0	0	0	111.8	I33 E37 P38 F41	I33-P35 HydrophobicContact CG2-CB 4.49Å; P35-E37 PolarHBondContact O-N 3.34Å; P35-P38 HydrophobicContact CG-CB 4.29Å; P35-F41 HydrophobicContact CB-CB 4.05Å; P35-F41 HydrophobicContact CB-CD2 4.47Å; P35-F41 HydrophobicContact CB-CG 4.18Å; P35-F41 HydrophobicContact CG-CB 3.87Å; P35-F41 HydrophobicContact CG-CD1 3.91Å; P35-F41 HydrophobicContact CG-CD2 4.44Å; P35-F41 HydrophobicContact CG-CG 3.81Å
36	N	43.5	Very low	51.8	Low	167 Å²	167	75.6 Å²	75.6	89%	0.893	41%	0.405	S	S	*	.	S	Bend	trans	-59.3	-31.1	179.2	-68.9	-27.1	0	0	0	112.7
37	E	51.2	Low	51.7	Low	132 Å²	132	80.1 Å²	80.1	62%	0.617	43%	0.428	S	S	*	.	S	Bend	trans	-123.7	85.5	174.8	-64.6	-151.4	-170	0	0	110.8	P35 V39 E40 F41	P35-E37 PolarHBondContact O-N 3.34Å; E37-V39 VanDerWaalsContact C-N 3.27Å; E37-V39 PolarHBondContact O-N 3.1Å; E37-E40 HydrophobicContact CB-CB 4.24Å; E37-E40 PolarHBondContact O-N 2.7Å; E37-F41 PolarHBondContact O-N 3.47Å; E37-F41 VanDerWaalsContact O-N 3.12Å
38	P	51.7	Low	51.5	Low	55 Å²	55	78.5 Å²	78.5	36%	0.357	43%	0.429	S	S	.	.	H	α-helix	trans	-68	-26.3	-170.8	23.7	-32.1	0	0	0	113.5	P35 L42	P35-P38 HydrophobicContact CG-CB 4.29Å; P38-L42 WeakPolarHBondContact O-CB 3.33Å; P38-L42 WeakPolarHBondContact O-CD1 3.22Å; P38-L42 WeakPolarHBondContact O-CG 3.45Å; P38-L42 PolarHBondContact O-N 2.7Å
39	V	50.9	Low	51.3	Low	101 Å²	101	77 Å²	77	61%	0.612	42%	0.416	S	S	*	.	H	α-helix	trans	-74.5	-41.6	179.1	-179.2	0	0	0	0	111.1	E37 L42 Q43	E37-V39 VanDerWaalsContact C-N 3.27Å; E37-V39 PolarHBondContact O-N 3.1Å; V39-L42 PolarHBondContact O-N 3.01Å; V39-Q43 WeakPolarHBondContact O-CB 3.25Å; V39-Q43 WeakPolarHBondContact O-CG 3.27Å; V39-Q43 PolarHBondContact O-N 3.46Å
40	E	51	Low	51.3	Low	78 Å²	78	84 Å²	84	36%	0.364	45%	0.446	S	S	.	.	H	α-helix	trans	-69.5	-38.5	177.7	-158.6	-169.5	170	0	0	111.1	E37 Q43 R44	E37-E40 HydrophobicContact CB-CB 4.24Å; E37-E40 PolarHBondContact O-N 2.7Å; E40-Q43 PolarHBondContact O-N 3.07Å; E40-R44 WeakPolarHBondContact O-CG 3.4Å; E40-R44 PolarHBondContact O-N 2.8Å; E40-R44 IonicContact OE1-CZ 3.18Å; E40-R44 IonicContact OE1-NE 3.14Å; E40-R44 PolarHBondContact OE1-NE 3.13Å; E40-R44 IonicContact OE1-NH2 3Å; E40-R44 PolarHBondContact OE1-NH2 3.33Å
41	F	55.4	Low	51.1	Low	49 Å²	49	86 Å²	86	22%	0.215	47%	0.469	C	S	.	.	H	α-helix	trans	-57.7	-50.7	171.5	173.9	-100.1	0	0	0	111.8	A30 I33 P35 E37 Q43 R44 V45	A30-F41 HydrophobicContact CB-CE1 4.29Å; I33-F41 HydrophobicContact CD1-CE1 4.5Å; I33-F41 HydrophobicContact CD1-CE2 4Å; I33-F41 HydrophobicContact CD1-CZ 3.56Å; P35-F41 HydrophobicContact CB-CB 4.05Å; P35-F41 HydrophobicContact CB-CD2 4.47Å; P35-F41 HydrophobicContact CB-CG 4.18Å; P35-F41 HydrophobicContact CG-CB 3.87Å; P35-F41 HydrophobicContact CG-CD1 3.91Å; P35-F41 HydrophobicContact CG-CD2 4.44Å; P35-F41 HydrophobicContact CG-CG 3.81Å; E37-F41 PolarHBondContact O-N 3.47Å; E37-F41 VanDerWaalsContact O-N 3.12Å; F41-Q43 VanDerWaalsContact C-N 3.32Å; F41-Q43 PolarHBondContact O-N 3.29Å; F41-R44 PolarHBondContact O-N 3Å; F41-V45 HydrophobicContact CD2-CG2 4.5Å; F41-V45 HydrophobicContact CE1-CG2 4.35Å; F41-V45 HydrophobicContact CE2-CG2 4.12Å; F41-V45 HydrophobicContact CZ-CG2 4.03Å; F41-V45 WeakPolarHBondContact O-CG2 3.26Å; F41-V45 PolarHBondContact O-N 2.84Å; F41-V45 VanDerWaalsContact O-N 3.1Å
42	L	54.1	Low	51.1	Low	57 Å²	57	89.8 Å²	89.8	30%	0.298	48%	0.481	S	S	.	.	H	α-helix	trans	-62.8	-38.1	177.8	-72.9	169.3	0	0	0	112	L26 P38 V39 L46	L26-L42 HydrophobicContact CB-CD2 4Å; L26-L42 HydrophobicContact CD2-CD2 4.19Å; P38-L42 WeakPolarHBondContact O-CB 3.33Å; P38-L42 WeakPolarHBondContact O-CD1 3.22Å; P38-L42 WeakPolarHBondContact O-CG 3.45Å; P38-L42 PolarHBondContact O-N 2.7Å; V39-L42 PolarHBondContact O-N 3.01Å; L42-L46 VanDerWaalsContact O-CB 3.28Å; L42-L46 WeakPolarHBondContact O-CB 3.46Å; L42-L46 WeakPolarHBondContact O-CD1 3.13Å; L42-L46 WeakPolarHBondContact O-CG 3.32Å; L42-L46 PolarHBondContact O-N 3.37Å
43	Q	52.4	Low	51.1	Low	114 Å²	114	90.5 Å²	90.5	53%	0.533	49%	0.486	S	S	.	.	H	α-helix	trans	-63.8	-44.8	175.8	-82.2	-180	-20.1	0	0	112.4	V39 E40 F41 V45 L46 I47	V39-Q43 WeakPolarHBondContact O-CB 3.25Å; V39-Q43 WeakPolarHBondContact O-CG 3.27Å; V39-Q43 PolarHBondContact O-N 3.46Å; E40-Q43 PolarHBondContact O-N 3.07Å; F41-Q43 VanDerWaalsContact C-N 3.32Å; F41-Q43 PolarHBondContact O-N 3.29Å; Q43-V45 PolarHBondContact O-N 3.42Å; Q43-L46 PolarHBondContact O-N 2.83Å; Q43-I47 WeakPolarHBondContact O-CD1 3.47Å; Q43-I47 WeakPolarHBondContact O-CG1 3.4Å; Q43-I47 PolarHBondContact O-N 2.74Å
44	R	52.4	Low	51.3	Low	162 Å²	162	91.2 Å²	91.2	61%	0.611	49%	0.49	S	S	*	.	H	α-helix	trans	-64	-41.3	178.6	-71.3	179.4	-173.1	-169.8	4	112.3	E40 F41 I47 A48	E40-R44 WeakPolarHBondContact O-CG 3.4Å; E40-R44 PolarHBondContact O-N 2.8Å; E40-R44 IonicContact OE1-CZ 3.18Å; E40-R44 IonicContact OE1-NE 3.14Å; E40-R44 PolarHBondContact OE1-NE 3.13Å; E40-R44 IonicContact OE1-NH2 3Å; E40-R44 PolarHBondContact OE1-NH2 3.33Å; F41-R44 PolarHBondContact O-N 3Å; R44-I47 PolarHBondContact O-N 2.8Å; R44-A48 PolarHBondContact O-N 3.48Å; R44-A48 VanDerWaalsContact O-N 3.09Å
45	V	52.6	Low	51.6	Low	34 Å²	34	88.1 Å²	88.1	21%	0.206	47%	0.468	C	S	.	.	H	α-helix	trans	-68	-39.8	177.1	-178.8	0	0	0	0	110.8	L26 F41 Q43 I47 A48 F49	L26-V45 HydrophobicContact CD2-CB 4.01Å; L26-V45 HydrophobicContact CD2-CG1 3.42Å; L26-V45 VanDerWaalsContact CD2-CG1 3.42Å; F41-V45 HydrophobicContact CD2-CG2 4.5Å; F41-V45 HydrophobicContact CE1-CG2 4.35Å; F41-V45 HydrophobicContact CE2-CG2 4.12Å; F41-V45 HydrophobicContact CZ-CG2 4.03Å; F41-V45 WeakPolarHBondContact O-CG2 3.26Å; F41-V45 PolarHBondContact O-N 2.84Å; F41-V45 VanDerWaalsContact O-N 3.1Å; Q43-V45 PolarHBondContact O-N 3.42Å; V45-I47 VanDerWaalsContact C-N 3.35Å; V45-I47 PolarHBondContact O-N 3.24Å; V45-A48 WeakPolarHBondContact O-CB 3.44Å; V45-A48 PolarHBondContact O-N 2.89Å; V45-F49 HydrophobicContact CG1-CD2 4.13Å; V45-F49 HydrophobicContact CG1-CE2 3.72Å; V45-F49 WeakPolarHBondContact O-CD2 3.41Å; V45-F49 PolarHBondContact O-N 2.96Å
46	L	54.5	Low	51.6	Low	76 Å²	76	91.6 Å²	91.6	40%	0.398	48%	0.481	S	S	.	.	H	α-helix	trans	-65.8	-33	174.4	-74.9	168.2	0	0	0	113.4	L26 L42 Q43 F49 Q50	L26-L46 HydrophobicContact CD1-CD2 3.84Å; L26-L46 HydrophobicContact CD1-CG 4.34Å; L42-L46 VanDerWaalsContact O-CB 3.28Å; L42-L46 WeakPolarHBondContact O-CB 3.46Å; L42-L46 WeakPolarHBondContact O-CD1 3.13Å; L42-L46 WeakPolarHBondContact O-CG 3.32Å; L42-L46 PolarHBondContact O-N 3.37Å; Q43-L46 PolarHBondContact O-N 2.83Å; L46-F49 WeakPolarHBondContact O-CB 3.44Å; L46-F49 PolarHBondContact O-N 2.98Å; L46-Q50 PolarHBondContact O-N 2.86Å
47	I	53.7	Low	51.8	Low	109 Å²	109	89 Å²	89	56%	0.559	47%	0.472	S	S	*	.	H	α-helix	trans	-68.1	-39.1	173.5	-70.6	163.2	0	0	0	110.6	Q43 R44 V45 F49 Q50	Q43-I47 WeakPolarHBondContact O-CD1 3.47Å; Q43-I47 WeakPolarHBondContact O-CG1 3.4Å; Q43-I47 PolarHBondContact O-N 2.74Å; R44-I47 PolarHBondContact O-N 2.8Å; V45-I47 VanDerWaalsContact C-N 3.35Å; V45-I47 PolarHBondContact O-N 3.24Å; I47-F49 VanDerWaalsContact C-N 3.26Å; I47-F49 PolarHBondContact O-N 3.27Å; I47-Q50 WeakPolarHBondContact O-CB 3.46Å; I47-Q50 PolarHBondContact O-N 3.3Å; I47-Q50 VanDerWaalsContact O-N 3.1Å
48	A	50.9	Low	51.9	Low	68 Å²	68	84.5 Å²	84.5	56%	0.562	45%	0.453	S	S	*	.	H	α-helix	trans	-62.1	-33.3	174.2	0	0	0	0	0	112.4	R44 V45 Q50 G51	R44-A48 PolarHBondContact O-N 3.48Å; R44-A48 VanDerWaalsContact O-N 3.09Å; V45-A48 WeakPolarHBondContact O-CB 3.44Å; V45-A48 PolarHBondContact O-N 2.89Å; A48-Q50 VanDerWaalsContact C-N 3.28Å; A48-Q50 PolarHBondContact O-N 3.19Å; A48-G51 PolarHBondContact O-N 3.41Å
49	F	50.6	Low	52	Low	22 Å²	22	86.3 Å²	86.3	10%	0.096	46%	0.46	C	S	.	.	H	α-helix	trans	-67.2	-22.8	174	-82	-67.8	0	0	0	114.3	M22 L26 V45 L46 I47 G51 L55 W60 F63	M22-F49 HydrophobicContact CE-CB 4.32Å; M22-F49 HydrophobicContact CE-CD1 4.08Å; M22-F49 HydrophobicContact CE-CD2 4.19Å; M22-F49 HydrophobicContact CE-CE1 4.47Å; M22-F49 HydrophobicContact CE-CG 3.94Å; L26-F49 HydrophobicContact CD2-CE2 4.21Å; V45-F49 HydrophobicContact CG1-CD2 4.13Å; V45-F49 HydrophobicContact CG1-CE2 3.72Å; V45-F49 WeakPolarHBondContact O-CD2 3.41Å; V45-F49 PolarHBondContact O-N 2.96Å; L46-F49 WeakPolarHBondContact O-CB 3.44Å; L46-F49 PolarHBondContact O-N 2.98Å; I47-F49 VanDerWaalsContact C-N 3.26Å; I47-F49 PolarHBondContact O-N 3.27Å; F49-G51 PolarHBondContact O-N 2.84Å; F49-L55 HydrophobicContact CD1-CD2 4.2Å; F49-W60 AromaticContact CE1-CH2 3.79Å; F49-W60 HydrophobicContact CE1-CH2 3.79Å; F49-W60 AromaticContact CE1-CZ3 3.6Å; F49-W60 HydrophobicContact CE1-CZ3 3.6Å; F49-W60 HydrophobicContact CZ-CH2 4.35Å; F49-W60 AromaticContact CZ-CZ3 3.79Å; F49-W60 HydrophobicContact CZ-CZ3 3.79Å; F49-F63 HydrophobicContact CE1-CE2 4.47Å; F49-F63 HydrophobicContact CE1-CZ 4.41Å; F49-F63 HydrophobicContact CE2-CZ 4.03Å; F49-F63 AromaticContact CZ-CE1 3.88Å; F49-F63 HydrophobicContact CZ-CE1 3.88Å; F49-F63 AromaticContact CZ-CE2 3.96Å; F49-F63 HydrophobicContact CZ-CE2 3.96Å; F49-F63 AromaticContact CZ-CZ 3.5Å; F49-F63 HydrophobicContact CZ-CZ 3.5Å
50	Q	51.6	Low	52.1	Low	163 Å²	163	83 Å²	83	76%	0.762	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-9.7	179.9	-70.9	-179.2	-17.5	0	0	113.7	L46 I47 A48	L46-Q50 PolarHBondContact O-N 2.86Å; I47-Q50 WeakPolarHBondContact O-CB 3.46Å; I47-Q50 PolarHBondContact O-N 3.3Å; I47-Q50 VanDerWaalsContact O-N 3.1Å; A48-Q50 VanDerWaalsContact C-N 3.28Å; A48-Q50 PolarHBondContact O-N 3.19Å
51	G	48.8	Very low	52.1	Low	63 Å²	63	86 Å²	86	65%	0.649	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-2.7	178.8	0	0	0	0	0	115.8	A48 F49	A48-G51 PolarHBondContact O-N 3.41Å; F49-G51 PolarHBondContact O-N 2.84Å
52	H	52.3	Low	51.9	Low	129 Å²	129	90.2 Å²	90.2	60%	0.597	47%	0.47	S	S	*	.			trans	-102.4	123.2	178.8	-81.4	-84.1	0	0	0	111.1	N54	H52-N54 VanDerWaalsContact C-N 3.28Å; H52-N54 PolarHBondContact O-N 3.4Å
53	D	48.5	Very low	51.7	Low	140 Å²	140	90 Å²	90	75%	0.749	47%	0.467	S	S	*	.	S	Bend	trans	-76.8	-7.8	-172.6	-75.5	-41.9	0	0	0	114.7
54	N	52.8	Low	51.6	Low	78 Å²	78	87.9 Å²	87.9	42%	0.417	46%	0.459	S	S	.	.			trans	-149.1	107	178.1	-144.5	-16.4	0	0	0	112.8	H52 T57	H52-N54 VanDerWaalsContact C-N 3.28Å; H52-N54 PolarHBondContact O-N 3.4Å; N54-T57 PolarHBondContact O-OG1 2.79Å
55	L	53.4	Low	51.6	Low	23 Å²	23	84.9 Å²	84.9	12%	0.12	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-81.7	-11.8	-173.7	-73.2	164.3	0	0	0	113.9	I15 M22 F49	I15-L55 HydrophobicContact CG1-CD1 3.82Å; M22-L55 HydrophobicContact CE-CD2 4.5Å; F49-L55 HydrophobicContact CD1-CD2 4.2Å
56	Q	50.2	Low	51.4	Low	104 Å²	104	90.2 Å²	90.2	49%	0.486	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-83.4	-15	179.9	-65.4	-163.5	-7.1	0	0	114
57	T	48	Very low	51.1	Low	113 Å²	113	88.1 Å²	88.1	69%	0.693	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-99.1	5.2	-179.4	54.1	0	0	0	0	113.4	N54 D59	N54-T57 PolarHBondContact O-OG1 2.79Å; T57-D59 PolarHBondContact O-N 3.4Å
58	V	54	Low	50.7	Low	36 Å²	36	86.2 Å²	86.2	22%	0.218	45%	0.453	C	S	.	.			trans	-78.1	119.2	-179.5	179.4	0	0	0	0	109.3	W60	V58-W60 HydrophobicContact CB-CD2 4.43Å; V58-W60 HydrophobicContact CB-CH2 4.31Å; V58-W60 HydrophobicContact CB-CZ2 3.93Å; V58-W60 HydrophobicContact CG1-CD2 3.99Å; V58-W60 HydrophobicContact CG1-CE3 3.98Å; V58-W60 HydrophobicContact CG1-CH2 4.08Å; V58-W60 HydrophobicContact CG1-CZ2 4.09Å; V58-W60 HydrophobicContact CG1-CZ3 4.04Å; V58-W60 VanDerWaalsContact O-CD1 3.23Å; V58-W60 PolarHBondContact O-N 3.35Å; V58-W60 VanDerWaalsContact O-N 3.17Å; V58-W60 PolarHBondContact O-NE1 3.04Å
59	D	54.1	Low	50.4	Low	94 Å²	94	89.8 Å²	89.8	50%	0.503	46%	0.459	S	S	.	.			trans	-74.9	100.8	168.1	-168.7	-24.3	0	0	0	109.2	T57 Q61 E62 F63	T57-D59 PolarHBondContact O-N 3.4Å; D59-Q61 PolarHBondContact O-N 3.3Å; D59-Q61 WeakPolarHBondContact OD1-CB 3.21Å; D59-Q61 PolarHBondContact OD1-N 3.47Å; D59-E62 HydrophobicContact CB-CB 4.13Å; D59-E62 PolarHBondContact O-N 2.95Å; D59-E62 PolarHBondContact OD1-N 2.87Å; D59-F63 PolarHBondContact O-N 2.95Å; D59-F63 VanDerWaalsContact O-N 3.13Å
60	W	53.5	Low	50.1	Low	31 Å²	31	96.2 Å²	96.2	12%	0.117	49%	0.487	C	S	.	.	H	α-helix	trans	-68.2	-18.3	-176.1	-61.5	102.7	0	0	0	113.4	M22 F49 V58 F63 I64	M22-W60 HydrophobicContact CG-CH2 3.43Å; M22-W60 VanDerWaalsContact CG-CH2 3.43Å; M22-W60 HydrophobicContact CG-CZ2 3.93Å; M22-W60 HydrophobicContact CG-CZ3 4.01Å; M22-W60 HydrophobicContact SD-CH2 4.3Å; F49-W60 AromaticContact CE1-CH2 3.79Å; F49-W60 HydrophobicContact CE1-CH2 3.79Å; F49-W60 AromaticContact CE1-CZ3 3.6Å; F49-W60 HydrophobicContact CE1-CZ3 3.6Å; F49-W60 HydrophobicContact CZ-CH2 4.35Å; F49-W60 AromaticContact CZ-CZ3 3.79Å; F49-W60 HydrophobicContact CZ-CZ3 3.79Å; V58-W60 HydrophobicContact CB-CD2 4.43Å; V58-W60 HydrophobicContact CB-CH2 4.31Å; V58-W60 HydrophobicContact CB-CZ2 3.93Å; V58-W60 HydrophobicContact CG1-CD2 3.99Å; V58-W60 HydrophobicContact CG1-CE3 3.98Å; V58-W60 HydrophobicContact CG1-CH2 4.08Å; V58-W60 HydrophobicContact CG1-CZ2 4.09Å; V58-W60 HydrophobicContact CG1-CZ3 4.04Å; V58-W60 VanDerWaalsContact O-CD1 3.23Å; V58-W60 PolarHBondContact O-N 3.35Å; V58-W60 VanDerWaalsContact O-N 3.17Å; V58-W60 PolarHBondContact O-NE1 3.04Å; W60-F63 HydrophobicContact CE3-CD1 4.45Å; W60-I64 WeakPolarHBondContact O-CD1 3.49Å; W60-I64 VanDerWaalsContact O-CG1 3.29Å; W60-I64 WeakPolarHBondContact O-CG1 3.44Å; W60-I64 PolarHBondContact O-N 3.16Å
61	Q	50.8	Low	49.6	Very low	140 Å²	140	92.6 Å²	92.6	65%	0.654	47%	0.472	S	S	*	.	H	α-helix	trans	-75.8	-46.6	173.9	-111.3	86.3	-14.4	0	0	110.6	D59 F63 I64 D65	D59-Q61 PolarHBondContact O-N 3.3Å; D59-Q61 WeakPolarHBondContact OD1-CB 3.21Å; D59-Q61 PolarHBondContact OD1-N 3.47Å; Q61-F63 VanDerWaalsContact C-N 3.27Å; Q61-F63 PolarHBondContact O-N 3.47Å; Q61-I64 PolarHBondContact O-N 3Å; Q61-I64 VanDerWaalsContact O-N 3.14Å; Q61-D65 PolarHBondContact O-N 2.88Å
62	E	50.1	Low	49.3	Very low	139 Å²	139	94.5 Å²	94.5	65%	0.65	47%	0.471	S	S	*	.	H	α-helix	trans	-62.9	-33.9	176.3	-164.6	178.9	-165.3	0	0	111.8	D59 D65 Y66	D59-E62 HydrophobicContact CB-CB 4.13Å; D59-E62 PolarHBondContact O-N 2.95Å; D59-E62 PolarHBondContact OD1-N 2.87Å; E62-D65 PolarHBondContact O-N 3.39Å; E62-Y66 WeakPolarHBondContact O-CB 3.36Å; E62-Y66 PolarHBondContact O-N 2.99Å
63	F	51	Low	48.7	Very low	51 Å²	51	97.3 Å²	97.3	22%	0.224	48%	0.481	C	S	.	.	H	α-helix	trans	-65.2	-39.8	173.5	177.9	-102.1	0	0	0	113.1	F49 D59 W60 Q61 D65 Y66 V67	F49-F63 HydrophobicContact CE1-CE2 4.47Å; F49-F63 HydrophobicContact CE1-CZ 4.41Å; F49-F63 HydrophobicContact CE2-CZ 4.03Å; F49-F63 AromaticContact CZ-CE1 3.88Å; F49-F63 HydrophobicContact CZ-CE1 3.88Å; F49-F63 AromaticContact CZ-CE2 3.96Å; F49-F63 HydrophobicContact CZ-CE2 3.96Å; F49-F63 AromaticContact CZ-CZ 3.5Å; F49-F63 HydrophobicContact CZ-CZ 3.5Å; D59-F63 PolarHBondContact O-N 2.95Å; D59-F63 VanDerWaalsContact O-N 3.13Å; W60-F63 HydrophobicContact CE3-CD1 4.45Å; Q61-F63 VanDerWaalsContact C-N 3.27Å; Q61-F63 PolarHBondContact O-N 3.47Å; F63-D65 VanDerWaalsContact C-N 3.3Å; F63-Y66 PolarHBondContact O-N 3.23Å; F63-V67 HydrophobicContact CE1-CG2 4.19Å; F63-V67 HydrophobicContact CE2-CG2 4.35Å; F63-V67 HydrophobicContact CZ-CG2 4.08Å; F63-V67 VanDerWaalsContact O-CG2 3.27Å; F63-V67 WeakPolarHBondContact O-CG2 3.33Å; F63-V67 PolarHBondContact O-N 3.39Å
64	I	50.2	Low	48.1	Very low	71 Å²	71	98.2 Å²	98.2	36%	0.364	49%	0.486	S	S	.	.	H	α-helix	trans	-66.8	-37.8	175.4	-70.7	168.4	0	0	0	109.8	W60 Q61 V67 N68	W60-I64 WeakPolarHBondContact O-CD1 3.49Å; W60-I64 VanDerWaalsContact O-CG1 3.29Å; W60-I64 WeakPolarHBondContact O-CG1 3.44Å; W60-I64 PolarHBondContact O-N 3.16Å; Q61-I64 PolarHBondContact O-N 3Å; Q61-I64 VanDerWaalsContact O-N 3.14Å; I64-V67 PolarHBondContact O-N 3.4Å; I64-N68 WeakPolarHBondContact O-CB 3.49Å; I64-N68 PolarHBondContact O-N 3.42Å; I64-N68 PolarHBondContact O-ND2 3.45Å
65	D	51.3	Low	47.1	Very low	99 Å²	99	99 Å²	99	53%	0.529	50%	0.498	S	S	.	.	H	α-helix	trans	-70	-37.1	176.3	-69.7	-23.8	0	0	0	112.8	Q61 E62 F63 N68 E69	Q61-D65 PolarHBondContact O-N 2.88Å; E62-D65 PolarHBondContact O-N 3.39Å; F63-D65 VanDerWaalsContact C-N 3.3Å; D65-N68 CarbonylContact O-C 3.58Å; D65-N68 WeakPolarHBondContact O-CB 3.44Å; D65-N68 PolarHBondContact O-N 3.28Å; D65-E69 PolarHBondContact O-N 2.83Å
66	Y	49.4	Very low	46	Very low	145 Å²	145	106.2 Å²	106.2	57%	0.569	54%	0.536	S	S	*	.	H	α-helix	trans	-62.9	-40.7	171.2	178.8	-99.1	0	0	0	112.1	E62 F63 N68 E69 F70	E62-Y66 WeakPolarHBondContact O-CB 3.36Å; E62-Y66 PolarHBondContact O-N 2.99Å; F63-Y66 PolarHBondContact O-N 3.23Å; Y66-N68 VanDerWaalsContact C-N 3.33Å; Y66-E69 PolarHBondContact O-N 3.43Å; Y66-F70 WeakPolarHBondContact O-CB 3.3Å; Y66-F70 PolarHBondContact O-N 3.25Å
67	V	47.1	Very low	45.2	Very low	32 Å²	32	110.6 Å²	110.6	19%	0.194	55%	0.553	C	S	.	*	H	α-helix	trans	-67.8	-34.2	174.1	173.4	0	0	0	0	111	A29 I33 F63 I64 I71	A29-V67 HydrophobicContact CB-CG1 4.48Å; I33-V67 HydrophobicContact CD1-CG1 4.41Å; F63-V67 HydrophobicContact CE1-CG2 4.19Å; F63-V67 HydrophobicContact CE2-CG2 4.35Å; F63-V67 HydrophobicContact CZ-CG2 4.08Å; F63-V67 VanDerWaalsContact O-CG2 3.27Å; F63-V67 WeakPolarHBondContact O-CG2 3.33Å; F63-V67 PolarHBondContact O-N 3.39Å; I64-V67 PolarHBondContact O-N 3.4Å; V67-I71 HydrophobicContact CG1-CD1 4.12Å; V67-I71 VanDerWaalsContact O-CD1 3.26Å; V67-I71 WeakPolarHBondContact O-CD1 3.33Å; V67-I71 VanDerWaalsContact O-CG1 3.26Å; V67-I71 WeakPolarHBondContact O-CG1 3.36Å; V67-I71 PolarHBondContact O-N 3.43Å
68	N	45.5	Very low	44.3	Very low	69 Å²	69	115.4 Å²	115.4	37%	0.369	57%	0.565	S	S	.	*	H	α-helix	trans	-68.1	-38.7	171.9	-72.4	-32.6	0	0	0	112.6	I64 D65 Y66 I71 T72	I64-N68 WeakPolarHBondContact O-CB 3.49Å; I64-N68 PolarHBondContact O-N 3.42Å; I64-N68 PolarHBondContact O-ND2 3.45Å; D65-N68 CarbonylContact O-C 3.58Å; D65-N68 WeakPolarHBondContact O-CB 3.44Å; D65-N68 PolarHBondContact O-N 3.28Å; Y66-N68 VanDerWaalsContact C-N 3.33Å; N68-I71 PolarHBondContact O-N 3.01Å; N68-T72 PolarHBondContact O-N 2.61Å; N68-T72 VanDerWaalsContact O-N 3.17Å; N68-T72 PolarHBondContact O-OG1 3.47Å
69	E	45.3	Very low	43.2	Very low	143 Å²	143	123.2 Å²	123.2	67%	0.668	60%	0.596	S	S	*	*	H	α-helix	trans	-66.2	-37.3	174.3	-107.9	-164.9	161.5	0	0	112.2	D65 Y66 I71 T72	D65-E69 PolarHBondContact O-N 2.83Å; Y66-E69 PolarHBondContact O-N 3.43Å; E69-I71 PolarHBondContact O-N 2.89Å; E69-T72 WeakPolarHBondContact CA-OG1 3.43Å; E69-T72 PolarHBondContact O-N 2.96Å; E69-T72 PolarHBondContact O-OG1 3.47Å
70	F	43.3	Very low	42.3	Very low	158 Å²	158	123 Å²	123	69%	0.693	61%	0.607	S	S	*	*	H	α-helix	trans	-64.2	-25.1	177.4	-150.1	-90.1	0	0	0	112.6	Y66	Y66-F70 WeakPolarHBondContact O-CB 3.3Å; Y66-F70 PolarHBondContact O-N 3.25Å
71	I	43	Very low	41.2	Very low	87 Å²	87	128.7 Å²	128.7	45%	0.446	65%	0.645	S	S	.	*	H	α-helix	trans	-96.1	-25.4	-176.1	-64.6	166	0	0	0	112.3	I33 V67 N68 E69 K73	I33-I71 HydrophobicContact CD1-CD1 3.79Å; I33-I71 HydrophobicContact CG1-CD1 3.61Å; V67-I71 HydrophobicContact CG1-CD1 4.12Å; V67-I71 VanDerWaalsContact O-CD1 3.26Å; V67-I71 WeakPolarHBondContact O-CD1 3.33Å; V67-I71 VanDerWaalsContact O-CG1 3.26Å; V67-I71 WeakPolarHBondContact O-CG1 3.36Å; V67-I71 PolarHBondContact O-N 3.43Å; N68-I71 PolarHBondContact O-N 3.01Å; E69-I71 PolarHBondContact O-N 2.89Å; I71-K73 PolarHBondContact O-N 3.24Å
72	T	42.7	Very low	40.4	Very low	102 Å²	102	129.2 Å²	129.2	63%	0.626	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-79.1	5	-176.9	39.9	0	0	0	0	114.7	N68 E69 D74	N68-T72 PolarHBondContact O-N 2.61Å; N68-T72 VanDerWaalsContact O-N 3.17Å; N68-T72 PolarHBondContact O-OG1 3.47Å; E69-T72 WeakPolarHBondContact CA-OG1 3.43Å; E69-T72 PolarHBondContact O-N 2.96Å; E69-T72 PolarHBondContact O-OG1 3.47Å; T72-D74 VanDerWaalsContact C-N 3.32Å; T72-D74 PolarHBondContact O-N 3.5Å
73	K	38.4	Very low	39.8	Very low	189 Å²	189	126.8 Å²	126.8	82%	0.822	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-77.1	-6.7	175	-98.2	-176.8	179.1	173.2	0	116	I71	I71-K73 PolarHBondContact O-N 3.24Å
74	D	36.3	Very low	39	Very low	158 Å²	158	129.5 Å²	129.5	85%	0.845	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-140.5	67.1	172.9	-95.3	-32	0	0	0	112	T72	T72-D74 VanDerWaalsContact C-N 3.32Å; T72-D74 PolarHBondContact O-N 3.5Å
75	S	30.8	Very low	38.4	Very low	95 Å²	95	130.6 Å²	130.6	66%	0.664	70%	0.695	S	S	*	*	S	Bend	trans	-177.6	105	143.9	29.6	0	0	0	0	113
76	L	32.1	Very low	38.4	Very low	175 Å²	175	134.9 Å²	134.9	92%	0.916	71%	0.712	S	S	*	*			trans	67.3	100.6	146.1	-68.7	158.3	0	0	0	119.7
77	K	33.3	Very low	38.2	Very low	195 Å²	195	133.2 Å²	133.2	85%	0.848	72%	0.721	S	S	*	*			trans	-39	132	151.2	-60.5	169.3	177.5	172	0	112.8
78	F	28	Very low	38.1	Very low	215 Å²	215	135.1 Å²	135.1	94%	0.943	74%	0.741	S	S	*	*			trans	-137.3	123.7	144.7	-127.2	-91.2	0	0	0	110.3
79	K	31.5	Very low	38.1	Very low	200 Å²	200	137.2 Å²	137.2	87%	0.87	75%	0.748	S	S	*	*			trans	-81.5	154.7	-178	-86	-178.3	171.2	-176.9	0	111.2
80	A	34.4	Very low	38	Very low	89 Å²	89	137.8 Å²	137.8	74%	0.736	75%	0.753	S	S	*	*			trans	-45.5	153.2	176.3	0	0	0	0	0	116.9
81	V	31.3	Very low	38	Very low	151 Å²	151	137.3 Å²	137.3	92%	0.915	75%	0.753	S	S	*	*			trans	-141.3	133.8	138.6	179.8	0	0	0	0	109.2
82	D	32.7	Very low	38.1	Very low	150 Å²	150	138 Å²	138	80%	0.802	76%	0.757	S	S	*	*			trans	-73.1	153.1	-178.2	-84.7	-45.6	0	0	0	115.5
83	A	37.9	Very low	38.3	Very low	88 Å²	88	141.6 Å²	141.6	73%	0.727	76%	0.76	S	S	*	*			trans	51.9	106.9	139.4	0	0	0	0	0	120.7
84	S	35.4	Very low	38.7	Very low	109 Å²	109	135.9 Å²	135.9	76%	0.762	74%	0.743	S	S	*	*				169.4	152.7	102.8	49.4	0	0	0	0	112.5
85	S	37.8	Very low	39	Very low	94 Å²	94	134.9 Å²	134.9	66%	0.657	73%	0.733	S	S	*	*			trans	85.4	79	-178.7	87	0	0	0	0	117.1	S87	S85-S87 PolarHBondContact O-N 3.47Å
86	Q	50	Low	39.5	Very low	188 Å²	188	135.8 Å²	135.8	88%	0.879	73%	0.729	S	S	*	*	S	Bend	trans	-77.2	95.5	167	-76.7	174.6	-27	0	0	110.2
87	S	45.6	Very low	40	Very low	110 Å²	110	132.6 Å²	132.6	77%	0.769	71%	0.713	S	S	*	*	S	Bend	trans	-170.7	-39.7	158.2	161.5	0	0	0	0	110.8	S85	S85-S87 PolarHBondContact O-N 3.47Å
88	A	44.4	Very low	40.7	Very low	72 Å²	72	130.4 Å²	130.4	60%	0.595	70%	0.703	S	S	*	*	S	Bend	trans	-80.6	-15.7	177	0	0	0	0	0	114.2	L92	A88-L92 PolarHBondContact O-N 2.95Å
89	Q	45.3	Very low	41.4	Very low	114 Å²	114	123 Å²	123	53%	0.533	68%	0.682	S	S	.	*	H	α-helix	trans	-73.6	-28	-175.2	-76	179.5	-29	0	0	113.9	Y93	Q89-Y93 WeakPolarHBondContact O-CB 3.48Å; Q89-Y93 PolarHBondContact O-N 2.76Å
90	M	43.9	Very low	42.1	Very low	154 Å²	154	117.5 Å²	117.5	76%	0.759	67%	0.665	S	S	*	*	H	α-helix	trans	-74.4	-33.5	-178.4	-112.1	-60.3	171.8	0	0	113.1	C94	M90-C94 PolarHBondContact O-N 3.02Å
91	E	43.7	Very low	42.5	Very low	149 Å²	149	115.9 Å²	115.9	70%	0.696	65%	0.648	S	S	*	*	H	α-helix	trans	-76.6	-34.9	178.2	-149.1	163.3	-161	0	0	111.3	Q95	E91-Q95 WeakPolarHBondContact O-CG 3.35Å; E91-Q95 PolarHBondContact O-N 2.91Å; E91-Q95 VanDerWaalsContact O-N 3.12Å
92	L	44.6	Very low	43.2	Very low	101 Å²	101	112.1 Å²	112.1	53%	0.529	63%	0.628	S	S	.	*	H	α-helix	trans	-67.3	-40.5	172.2	-161.3	75.4	0	0	0	112	A88 Q95 M96	A88-L92 PolarHBondContact O-N 2.95Å; L92-Q95 PolarHBondContact O-N 2.6Å; L92-M96 HydrophobicContact CG-SD 4.42Å; L92-M96 VanDerWaalsContact O-CB 3.3Å; L92-M96 WeakPolarHBondContact O-CB 3.44Å; L92-M96 VanDerWaalsContact O-CG 3.3Å; L92-M96 WeakPolarHBondContact O-CG 3.31Å; L92-M96 PolarHBondContact O-N 3.02Å
93	Y	46.7	Very low	43.6	Very low	177 Å²	177	112.5 Å²	112.5	69%	0.694	62%	0.619	S	S	*	*	H	α-helix	trans	-64	-42.4	177.2	-127.9	-92.7	0	0	0	112	Q89 M96 D97	Q89-Y93 WeakPolarHBondContact O-CB 3.48Å; Q89-Y93 PolarHBondContact O-N 2.76Å; Y93-M96 PolarHBondContact O-N 3.4Å; Y93-D97 VanDerWaalsContact O-CB 3.29Å; Y93-D97 WeakPolarHBondContact O-CB 3.36Å; Y93-D97 PolarHBondContact O-N 2.8Å
94	C	47.6	Very low	43.9	Very low	70 Å²	70	111.4 Å²	111.4	47%	0.473	60%	0.603	S	S	.	*	H	α-helix	trans	-72.3	-31.1	-179.7	-155.9	0	0	0	0	112.6	M90 K98	M90-C94 PolarHBondContact O-N 3.02Å; C94-K98 WeakPolarHBondContact O-CG 3.34Å; C94-K98 PolarHBondContact O-N 2.89Å; C94-K98 VanDerWaalsContact O-N 3.17Å
95	Q	41.8	Very low	44.4	Very low	136 Å²	136	113.6 Å²	113.6	64%	0.636	60%	0.595	S	S	*	*	H	α-helix	trans	-74.1	-38.7	171	-73	-160.1	2.1	0	0	112.7	E91 L92 K98 A99	E91-Q95 WeakPolarHBondContact O-CG 3.35Å; E91-Q95 PolarHBondContact O-N 2.91Å; E91-Q95 VanDerWaalsContact O-N 3.12Å; L92-Q95 PolarHBondContact O-N 2.6Å; Q95-K98 PolarHBondContact O-N 3.49Å; Q95-A99 VanDerWaalsContact O-CB 3.29Å; Q95-A99 WeakPolarHBondContact O-CB 3.49Å; Q95-A99 PolarHBondContact O-N 3.18Å
96	M	40.9	Very low	44.8	Very low	114 Å²	114	115.4 Å²	115.4	56%	0.562	59%	0.593	S	S	*	*	H	α-helix	trans	-63.2	-41.4	172.5	-79.6	-176	155.3	0	0	111.4	L92 Y93 A99 V100	L92-M96 HydrophobicContact CG-SD 4.42Å; L92-M96 VanDerWaalsContact O-CB 3.3Å; L92-M96 WeakPolarHBondContact O-CB 3.44Å; L92-M96 VanDerWaalsContact O-CG 3.3Å; L92-M96 WeakPolarHBondContact O-CG 3.31Å; L92-M96 PolarHBondContact O-N 3.02Å; Y93-M96 PolarHBondContact O-N 3.4Å; M96-A99 PolarHBondContact O-N 3.39Å; M96-V100 WeakPolarHBondContact O-CB 3.41Å; M96-V100 WeakPolarHBondContact O-CG2 3.25Å; M96-V100 PolarHBondContact O-N 2.78Å
97	D	43.7	Very low	44.5	Very low	109 Å²	109	110.4 Å²	110.4	58%	0.583	57%	0.571	S	S	*	*	H	α-helix	trans	-68	-38	179.3	-162.1	43	0	0	0	112.2	Y93 S101	Y93-D97 VanDerWaalsContact O-CB 3.29Å; Y93-D97 WeakPolarHBondContact O-CB 3.36Å; Y93-D97 PolarHBondContact O-N 2.8Å; D97-S101 WeakPolarHBondContact O-CB 3.32Å; D97-S101 PolarHBondContact O-N 2.85Å
98	K	47.8	Very low	44.5	Very low	148 Å²	148	108.9 Å²	108.9	64%	0.643	55%	0.554	S	S	*	*	H	α-helix	trans	-66.7	-38.9	170.7	-76.4	176.5	-177.5	172.5	0	112.6	C94 Q95 C102	C94-K98 WeakPolarHBondContact O-CG 3.34Å; C94-K98 PolarHBondContact O-N 2.89Å; C94-K98 VanDerWaalsContact O-N 3.17Å; Q95-K98 PolarHBondContact O-N 3.49Å; K98-C102 VanDerWaalsContact O-CB 3.27Å; K98-C102 WeakPolarHBondContact O-CB 3.38Å; K98-C102 PolarHBondContact O-N 3.48Å
99	A	42.2	Very low	44.4	Very low	61 Å²	61	106.4 Å²	106.4	50%	0.504	54%	0.536	S	S	.	.	H	α-helix	trans	-68.3	-43.7	177.4	0	0	0	0	0	111.7	Q95 M96 C102 Y103	Q95-A99 VanDerWaalsContact O-CB 3.29Å; Q95-A99 WeakPolarHBondContact O-CB 3.49Å; Q95-A99 PolarHBondContact O-N 3.18Å; M96-A99 PolarHBondContact O-N 3.39Å; A99-C102 PolarHBondContact O-N 3.49Å; A99-Y103 VanDerWaalsContact O-CB 3.28Å; A99-Y103 WeakPolarHBondContact O-CB 3.5Å; A99-Y103 PolarHBondContact O-N 2.91Å
100	V	45.3	Very low	44.4	Very low	83 Å²	83	102.8 Å²	102.8	50%	0.503	53%	0.525	S	S	.	.	H	α-helix	trans	-64.7	-45.3	174.6	171.1	0	0	0	0	110.3	M96 C102 Y103 V104	M96-V100 WeakPolarHBondContact O-CB 3.41Å; M96-V100 WeakPolarHBondContact O-CG2 3.25Å; M96-V100 PolarHBondContact O-N 2.78Å; V100-C102 VanDerWaalsContact C-N 3.31Å; V100-C102 PolarHBondContact O-N 3.17Å; V100-Y103 PolarHBondContact O-N 3.01Å; V100-V104 HydrophobicContact CG1-CG2 4.13Å; V100-V104 VanDerWaalsContact O-CB 3.31Å; V100-V104 WeakPolarHBondContact O-CB 3.45Å; V100-V104 WeakPolarHBondContact O-CG2 3.46Å; V100-V104 PolarHBondContact O-N 3.15Å
101	S	44.1	Very low	44.5	Very low	56 Å²	56	98.4 Å²	98.4	39%	0.392	51%	0.509	S	S	.	.	H	α-helix	trans	-60.9	-38.4	175.3	-174.3	0	0	0	0	112.6	D97 R105	D97-S101 WeakPolarHBondContact O-CB 3.32Å; D97-S101 PolarHBondContact O-N 2.85Å; S101-R105 VanDerWaalsContact O-CB 3.22Å; S101-R105 WeakPolarHBondContact O-CB 3.43Å; S101-R105 PolarHBondContact O-N 3.49Å; S101-R105 PolarHBondContact OG-NH2 3.37Å
102	C	44.7	Very low	44.5	Very low	72 Å²	72	96.4 Å²	96.4	49%	0.486	50%	0.498	S	S	.	.	H	α-helix	trans	-70.1	-44	175.5	-163.7	0	0	0	0	111.9	K98 A99 V100 R105 H106	K98-C102 VanDerWaalsContact O-CB 3.27Å; K98-C102 WeakPolarHBondContact O-CB 3.38Å; K98-C102 PolarHBondContact O-N 3.48Å; A99-C102 PolarHBondContact O-N 3.49Å; V100-C102 VanDerWaalsContact C-N 3.31Å; V100-C102 PolarHBondContact O-N 3.17Å; C102-R105 PolarHBondContact O-N 3.47Å; C102-H106 WeakPolarHBondContact O-CB 3.45Å; C102-H106 PolarHBondContact O-N 2.88Å
103	Y	41.8	Very low	44.7	Very low	157 Å²	157	98.5 Å²	98.5	62%	0.616	50%	0.499	S	S	*	.	H	α-helix	trans	-62	-47.5	176.6	-179	-101.2	0	0	0	111.5	A99 V100 R105 H106 L107	A99-Y103 VanDerWaalsContact O-CB 3.28Å; A99-Y103 WeakPolarHBondContact O-CB 3.5Å; A99-Y103 PolarHBondContact O-N 2.91Å; V100-Y103 PolarHBondContact O-N 3.01Å; Y103-R105 PolarHBondContact O-N 3.29Å; Y103-H106 PolarHBondContact O-N 3.4Å; Y103-L107 HydrophobicContact CE1-CD2 4.33Å; Y103-L107 VanDerWaalsContact O-CB 3.24Å; Y103-L107 WeakPolarHBondContact O-CB 3.41Å; Y103-L107 PolarHBondContact O-N 3.38Å
104	V	45.2	Very low	44.6	Very low	66 Å²	66	93.1 Å²	93.1	40%	0.4	49%	0.491	S	S	.	.	H	α-helix	trans	-61.8	-43.4	176.3	170.7	0	0	0	0	110.9	V100 H106 L107 L108	V100-V104 HydrophobicContact CG1-CG2 4.13Å; V100-V104 VanDerWaalsContact O-CB 3.31Å; V100-V104 WeakPolarHBondContact O-CB 3.45Å; V100-V104 WeakPolarHBondContact O-CG2 3.46Å; V100-V104 PolarHBondContact O-N 3.15Å; V104-H106 PolarHBondContact O-N 3.01Å; V104-L107 PolarHBondContact O-N 3.18Å; V104-L108 HydrophobicContact CG1-CD1 3.72Å; V104-L108 HydrophobicContact CG1-CG 4.27Å; V104-L108 VanDerWaalsContact O-CB 3.26Å; V104-L108 WeakPolarHBondContact O-CB 3.39Å; V104-L108 VanDerWaalsContact O-CG 3.27Å; V104-L108 WeakPolarHBondContact O-CG 3.45Å; V104-L108 PolarHBondContact O-N 3.02Å
105	R	46	Very low	44.7	Very low	154 Å²	154	96.1 Å²	96.1	58%	0.581	49%	0.493	S	S	*	.	H	α-helix	trans	-64.4	-39.3	176.4	-167.8	-174.9	-52.6	111.6	9.2	112.3	S101 C102 Y103 G109	S101-R105 VanDerWaalsContact O-CB 3.22Å; S101-R105 WeakPolarHBondContact O-CB 3.43Å; S101-R105 PolarHBondContact O-N 3.49Å; S101-R105 PolarHBondContact OG-NH2 3.37Å; C102-R105 PolarHBondContact O-N 3.47Å; Y103-R105 PolarHBondContact O-N 3.29Å; R105-G109 PolarHBondContact O-N 3.29Å
106	H	45	Very low	44.9	Very low	133 Å²	133	96.3 Å²	96.3	62%	0.616	49%	0.491	S	S	*	.	H	α-helix	trans	-70.2	-43.5	177.7	-168.4	82.8	0	0	0	111.7	C102 Y103 V104 G109 A110	C102-H106 WeakPolarHBondContact O-CB 3.45Å; C102-H106 PolarHBondContact O-N 2.88Å; Y103-H106 PolarHBondContact O-N 3.4Å; V104-H106 PolarHBondContact O-N 3.01Å; H106-G109 PolarHBondContact O-N 2.78Å; H106-A110 WeakPolarHBondContact O-CB 3.45Å; H106-A110 PolarHBondContact O-N 3.36Å
107	L	44.7	Very low	45.5	Very low	82 Å²	82	98.4 Å²	98.4	43%	0.429	50%	0.497	S	S	.	.	H	α-helix	trans	-64.8	-48.4	177.8	-165	77.9	0	0	0	111	Y103 V104 G109 A110 C111	Y103-L107 HydrophobicContact CE1-CD2 4.33Å; Y103-L107 VanDerWaalsContact O-CB 3.24Å; Y103-L107 WeakPolarHBondContact O-CB 3.41Å; Y103-L107 PolarHBondContact O-N 3.38Å; V104-L107 PolarHBondContact O-N 3.18Å; L107-G109 VanDerWaalsContact C-N 3.3Å; L107-G109 PolarHBondContact O-N 3.1Å; L107-A110 PolarHBondContact O-N 3.25Å; L107-A110 VanDerWaalsContact O-N 3.12Å; L107-C111 WeakPolarHBondContact O-CB 3.42Å; L107-C111 PolarHBondContact O-N 2.88Å; L107-C111 PolarHBondContact O-SG 3.36Å
108	L	45.3	Very low	46.2	Very low	79 Å²	79	99 Å²	99	41%	0.414	50%	0.495	S	S	.	.	H	α-helix	trans	-59.8	-40.9	173.8	-74.5	171.2	0	0	0	111.5	C31 V104 F112	C31-L108 HydrophobicContact CB-CD2 4.02Å; V104-L108 HydrophobicContact CG1-CD1 3.72Å; V104-L108 HydrophobicContact CG1-CG 4.27Å; V104-L108 VanDerWaalsContact O-CB 3.26Å; V104-L108 WeakPolarHBondContact O-CB 3.39Å; V104-L108 VanDerWaalsContact O-CG 3.27Å; V104-L108 WeakPolarHBondContact O-CG 3.45Å; V104-L108 PolarHBondContact O-N 3.02Å; L108-F112 WeakPolarHBondContact O-CB 3.26Å; L108-F112 PolarHBondContact O-N 3.43Å
109	G	42.1	Very low	46.6	Very low	20 Å²	20	94.8 Å²	94.8	21%	0.206	48%	0.479	C	S	.	.	H	α-helix	trans	-63.8	-38.9	174.3	0	0	0	0	0	113.2	R105 H106 L107 R113	R105-G109 PolarHBondContact O-N 3.29Å; H106-G109 PolarHBondContact O-N 2.78Å; L107-G109 VanDerWaalsContact C-N 3.3Å; L107-G109 PolarHBondContact O-N 3.1Å; G109-R113 WeakPolarHBondContact O-CB 3.45Å; G109-R113 VanDerWaalsContact O-CG 3.31Å; G109-R113 WeakPolarHBondContact O-CG 3.17Å; G109-R113 VanDerWaalsContact O-CZ 3.26Å; G109-R113 PolarHBondContact O-N 3.18Å; G109-R113 VanDerWaalsContact O-N 3.09Å; G109-R113 PolarHBondContact O-NE 2.99Å; G109-R113 PolarHBondContact O-NH1 3.47Å
110	A	45.8	Very low	47.2	Very low	37 Å²	37	96.7 Å²	96.7	31%	0.306	48%	0.477	S	S	.	.	H	α-helix	trans	-70.2	-47	177	0	0	0	0	0	111.6	H106 L107 F112 R113 A114	H106-A110 WeakPolarHBondContact O-CB 3.45Å; H106-A110 PolarHBondContact O-N 3.36Å; L107-A110 PolarHBondContact O-N 3.25Å; L107-A110 VanDerWaalsContact O-N 3.12Å; A110-F112 PolarHBondContact O-N 3.33Å; A110-R113 PolarHBondContact O-N 3.46Å; A110-A114 WeakPolarHBondContact O-CB 3.21Å; A110-A114 PolarHBondContact O-N 3.1Å
111	C	45	Very low	48.1	Very low	63 Å²	63	97.6 Å²	97.6	43%	0.426	48%	0.476	S	S	.	.	H	α-helix	trans	-61.4	-42.2	175.5	-67.8	0	0	0	0	111.5	L107 R113 A114 W115	L107-C111 WeakPolarHBondContact O-CB 3.42Å; L107-C111 PolarHBondContact O-N 2.88Å; L107-C111 PolarHBondContact O-SG 3.36Å; C111-R113 PolarHBondContact O-N 3.47Å; C111-A114 PolarHBondContact O-N 3.04Å; C111-W115 VanDerWaalsContact O-CB 3.28Å; C111-W115 WeakPolarHBondContact O-CB 3.5Å; C111-W115 PolarHBondContact O-N 3.3Å
112	F	44.2	Very low	49.2	Very low	106 Å²	106	101.2 Å²	101.2	47%	0.465	48%	0.481	S	S	.	.	H	α-helix	trans	-65.7	-39	176.9	-172.6	-101.9	0	0	0	112.5	L108 A110 W115 K116	L108-F112 WeakPolarHBondContact O-CB 3.26Å; L108-F112 PolarHBondContact O-N 3.43Å; A110-F112 PolarHBondContact O-N 3.33Å; F112-W115 HydrophobicContact CD2-CE3 4.11Å; F112-W115 HydrophobicContact CD2-CZ3 4.48Å; F112-W115 AromaticContact CE2-CE3 3.95Å; F112-W115 HydrophobicContact CE2-CE3 3.95Å; F112-W115 AromaticContact CE2-CZ3 3.88Å; F112-W115 HydrophobicContact CE2-CZ3 3.88Å; F112-W115 HydrophobicContact CZ-CZ3 4.49Å; F112-K116 VanDerWaalsContact O-CB 3.28Å; F112-K116 WeakPolarHBondContact O-CB 3.4Å; F112-K116 PolarHBondContact O-N 3.42Å
113	R	48.4	Very low	50	Low	146 Å²	146	103.8 Å²	103.8	55%	0.551	48%	0.484	S	S	*	.	H	α-helix	trans	-65.4	-41.7	173.6	-77	-175	-65.2	-93.3	1.3	111.9	G109 A110 C111 K116 K117	G109-R113 WeakPolarHBondContact O-CB 3.45Å; G109-R113 VanDerWaalsContact O-CG 3.31Å; G109-R113 WeakPolarHBondContact O-CG 3.17Å; G109-R113 VanDerWaalsContact O-CZ 3.26Å; G109-R113 PolarHBondContact O-N 3.18Å; G109-R113 VanDerWaalsContact O-N 3.09Å; G109-R113 PolarHBondContact O-NE 2.99Å; G109-R113 PolarHBondContact O-NH1 3.47Å; A110-R113 PolarHBondContact O-N 3.46Å; C111-R113 PolarHBondContact O-N 3.47Å; R113-K116 PolarHBondContact O-N 3.04Å; R113-K117 WeakPolarHBondContact O-CB 3.15Å; R113-K117 PolarHBondContact O-N 3.38Å
114	A	45.4	Very low	51.4	Low	63 Å²	63	101.4 Å²	101.4	52%	0.521	48%	0.479	S	S	.	.	H	α-helix	trans	-64.4	-45.7	176.1	0	0	0	0	0	111.5	A110 C111 K117 F118	A110-A114 WeakPolarHBondContact O-CB 3.21Å; A110-A114 PolarHBondContact O-N 3.1Å; C111-A114 PolarHBondContact O-N 3.04Å; A114-K117 PolarHBondContact O-N 2.95Å; A114-F118 WeakPolarHBondContact O-CB 3.25Å; A114-F118 PolarHBondContact O-N 3.34Å
115	W	48.8	Very low	52.7	Low	134 Å²	134	101.5 Å²	101.5	51%	0.508	48%	0.475	S	S	.	.	H	α-helix	trans	-61.5	-45	175.6	178.9	78	0	0	0	112.1	C111 F112 K117 F118 I119	C111-W115 VanDerWaalsContact O-CB 3.28Å; C111-W115 WeakPolarHBondContact O-CB 3.5Å; C111-W115 PolarHBondContact O-N 3.3Å; F112-W115 HydrophobicContact CD2-CE3 4.11Å; F112-W115 HydrophobicContact CD2-CZ3 4.48Å; F112-W115 AromaticContact CE2-CE3 3.95Å; F112-W115 HydrophobicContact CE2-CE3 3.95Å; F112-W115 AromaticContact CE2-CZ3 3.88Å; F112-W115 HydrophobicContact CE2-CZ3 3.88Å; F112-W115 HydrophobicContact CZ-CZ3 4.49Å; W115-K117 VanDerWaalsContact C-N 3.3Å; W115-K117 PolarHBondContact O-N 2.89Å; W115-F118 PolarHBondContact O-N 2.89Å; W115-I119 HydrophobicContact CD2-CG1 4.08Å; W115-I119 HydrophobicContact CG-CG1 4.44Å; W115-I119 HydrophobicContact CZ2-CD1 4.32Å; W115-I119 HydrophobicContact CZ2-CG1 3.91Å; W115-I119 WeakPolarHBondContact O-CG1 3.43Å; W115-I119 PolarHBondContact O-N 2.83Å
116	K	45.7	Very low	53.6	Low	140 Å²	140	96.9 Å²	96.9	61%	0.609	47%	0.469	S	S	*	.	H	α-helix	trans	-59.1	-41.9	175.4	-174.4	178.4	178.8	-179.1	0	111.6	F112 R113 Q120	F112-K116 VanDerWaalsContact O-CB 3.28Å; F112-K116 WeakPolarHBondContact O-CB 3.4Å; F112-K116 PolarHBondContact O-N 3.42Å; R113-K116 PolarHBondContact O-N 3.04Å; K116-Q120 WeakPolarHBondContact O-CB 3.48Å; K116-Q120 PolarHBondContact O-N 2.81Å
117	K	54.8	Low	55	Low	158 Å²	158	95.8 Å²	95.8	69%	0.687	47%	0.467	S	S	*	.	H	α-helix	trans	-66.3	-42.6	176.7	-167.4	178.2	179.9	-176.8	0	111.7	R113 A114 W115 Q120 Q121	R113-K117 WeakPolarHBondContact O-CB 3.15Å; R113-K117 PolarHBondContact O-N 3.38Å; A114-K117 PolarHBondContact O-N 2.95Å; W115-K117 VanDerWaalsContact C-N 3.3Å; W115-K117 PolarHBondContact O-N 2.89Å; K117-Q120 PolarHBondContact O-N 3.44Å; K117-Q121 WeakPolarHBondContact O-CB 3.39Å; K117-Q121 PolarHBondContact O-N 2.83Å
118	F	57.8	Low	56.8	Low	122 Å²	122	97.5 Å²	97.5	54%	0.535	47%	0.473	S	S	.	.	H	α-helix	trans	-62.1	-46	176.4	176.1	-100	0	0	0	112.5	A114 W115 Q120 Q121 R122	A114-F118 WeakPolarHBondContact O-CB 3.25Å; A114-F118 PolarHBondContact O-N 3.34Å; W115-F118 PolarHBondContact O-N 2.89Å; F118-Q120 VanDerWaalsContact C-N 3.34Å; F118-Q120 PolarHBondContact O-N 2.87Å; F118-Q121 PolarHBondContact O-N 3.49Å; F118-R122 HydrophobicContact CD1-CG 4.47Å; F118-R122 HydrophobicContact CE1-CG 4.09Å; F118-R122 HydrophobicContact CE2-CG 4.26Å; F118-R122 HydrophobicContact CZ-CG 3.98Å; F118-R122 WeakPolarHBondContact O-CG 3.39Å; F118-R122 PolarHBondContact O-N 3.4Å
119	I	56.6	Low	58.2	Low	59 Å²	59	97.8 Å²	97.8	30%	0.303	48%	0.477	S	S	.	.	H	α-helix	trans	-64.9	-39	177	-67	-64	0	0	0	111.5	W115 R122 K123	W115-I119 HydrophobicContact CD2-CG1 4.08Å; W115-I119 HydrophobicContact CG-CG1 4.44Å; W115-I119 HydrophobicContact CZ2-CD1 4.32Å; W115-I119 HydrophobicContact CZ2-CG1 3.91Å; W115-I119 WeakPolarHBondContact O-CG1 3.43Å; W115-I119 PolarHBondContact O-N 2.83Å; I119-R122 PolarHBondContact O-N 2.87Å; I119-K123 WeakPolarHBondContact O-CG 3.3Å; I119-K123 PolarHBondContact O-N 3.43Å
120	Q	55.2	Low	59.8	Low	100 Å²	100	99.6 Å²	99.6	47%	0.467	49%	0.491	S	S	.	.	H	α-helix	trans	-62.3	-46.5	176	-175.7	62.9	25.9	0	0	111.1	K116 K117 F118 R122 K123 E124	K116-Q120 WeakPolarHBondContact O-CB 3.48Å; K116-Q120 PolarHBondContact O-N 2.81Å; K117-Q120 PolarHBondContact O-N 3.44Å; F118-Q120 VanDerWaalsContact C-N 3.34Å; F118-Q120 PolarHBondContact O-N 2.87Å; Q120-R122 PolarHBondContact O-N 3.32Å; Q120-K123 WeakPolarHBondContact O-CB 3.47Å; Q120-K123 PolarHBondContact O-N 3.45Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.36Å; Q120-E124 PolarHBondContact NE2-OE1 3.48Å; Q120-E124 WeakPolarHBondContact O-CG 3.18Å; Q120-E124 PolarHBondContact O-N 3.32Å
121	Q	64.1	Low	61.6	Low	103 Å²	103	102 Å²	102	48%	0.481	50%	0.501	S	S	.	.	H	α-helix	trans	-62.2	-43	177.5	-171.2	174.3	-5.9	0	0	112.1	K117 F118 K123 E124 E125	K117-Q121 WeakPolarHBondContact O-CB 3.39Å; K117-Q121 PolarHBondContact O-N 2.83Å; F118-Q121 PolarHBondContact O-N 3.49Å; Q121-K123 VanDerWaalsContact C-N 3.33Å; Q121-K123 PolarHBondContact O-N 3.48Å; Q121-E124 PolarHBondContact O-N 2.97Å; Q121-E125 WeakPolarHBondContact O-CG 3.29Å; Q121-E125 PolarHBondContact O-N 3.34Å
122	R	66.6	Low	63.2	Low	131 Å²	131	104.6 Å²	104.6	49%	0.494	51%	0.507	S	S	.	.	H	α-helix	trans	-63.7	-35.3	175.7	-74.2	-102.3	63.9	-164.6	-1.2	113.1	F118 I119 Q120 E125 A126	F118-R122 HydrophobicContact CD1-CG 4.47Å; F118-R122 HydrophobicContact CE1-CG 4.09Å; F118-R122 HydrophobicContact CE2-CG 4.26Å; F118-R122 HydrophobicContact CZ-CG 3.98Å; F118-R122 WeakPolarHBondContact O-CG 3.39Å; F118-R122 PolarHBondContact O-N 3.4Å; I119-R122 PolarHBondContact O-N 2.87Å; Q120-R122 PolarHBondContact O-N 3.32Å; R122-E125 IonicContact CZ-OE2 3.55Å; R122-E125 IonicContact NE-OE2 3.31Å; R122-E125 PolarHBondContact NE-OE2 2.9Å; R122-E125 IonicContact NH2-OE2 2.9Å; R122-E125 PolarHBondContact NH2-OE2 3.46Å; R122-A126 VanDerWaalsContact O-CB 3.31Å; R122-A126 WeakPolarHBondContact O-CB 3.42Å; R122-A126 PolarHBondContact O-N 2.7Å
123	K	61.5	Low	64.9	Low	127 Å²	127	105.2 Å²	105.2	55%	0.552	51%	0.513	S	S	*	.	H	α-helix	trans	-66.1	-42.6	173.7	-81	-177.1	176	-177.3	0	111.5	I119 Q120 Q121 A126 I127	I119-K123 WeakPolarHBondContact O-CG 3.3Å; I119-K123 PolarHBondContact O-N 3.43Å; Q120-K123 WeakPolarHBondContact O-CB 3.47Å; Q120-K123 PolarHBondContact O-N 3.45Å; Q121-K123 VanDerWaalsContact C-N 3.33Å; Q121-K123 PolarHBondContact O-N 3.48Å; K123-A126 PolarHBondContact O-N 3.32Å; K123-I127 WeakPolarHBondContact O-CD1 3.37Å; K123-I127 VanDerWaalsContact O-CG1 3.25Å; K123-I127 WeakPolarHBondContact O-CG1 3.19Å; K123-I127 PolarHBondContact O-N 2.93Å
124	E	70.8	Confident	66.3	Low	107 Å²	107	103.3 Å²	103.3	50%	0.5	51%	0.51	S	S	.	.	H	α-helix	trans	-63.2	-46.5	177.5	-72.9	165.3	-168.4	0	0	111.1	Q120 Q121 A126 I127 E128	Q120-E124 WeakPolarHBondContact CG-OE1 3.36Å; Q120-E124 PolarHBondContact NE2-OE1 3.48Å; Q120-E124 WeakPolarHBondContact O-CG 3.18Å; Q120-E124 PolarHBondContact O-N 3.32Å; Q121-E124 PolarHBondContact O-N 2.97Å; E124-A126 VanDerWaalsContact C-N 3.35Å; E124-A126 PolarHBondContact O-N 3.32Å; E124-I127 PolarHBondContact O-N 2.94Å; E124-E128 PolarHBondContact O-N 2.99Å
125	E	72.2	Confident	68.1	Low	68 Å²	68	104.9 Å²	104.9	32%	0.318	51%	0.513	S	S	.	.	H	α-helix	trans	-60.3	-40.2	174.4	-72.1	170.3	-174.3	0	0	113	Q121 R122 E128 T129	Q121-E125 WeakPolarHBondContact O-CG 3.29Å; Q121-E125 PolarHBondContact O-N 3.34Å; R122-E125 IonicContact CZ-OE2 3.55Å; R122-E125 IonicContact NE-OE2 3.31Å; R122-E125 PolarHBondContact NE-OE2 2.9Å; R122-E125 IonicContact NH2-OE2 2.9Å; R122-E125 PolarHBondContact NH2-OE2 3.46Å; E125-E128 PolarHBondContact O-N 3.37Å; E125-T129 WeakPolarHBondContact O-CB 3.31Å; E125-T129 PolarHBondContact O-N 3.48Å; E125-T129 PolarHBondContact O-OG1 3.39Å
126	A	66	Low	69.4	Low	56 Å²	56	101.2 Å²	101.2	46%	0.463	51%	0.511	S	S	.	.	H	α-helix	trans	-67.6	-38.6	178.6	0	0	0	0	0	112	R122 K123 E124 A130	R122-A126 VanDerWaalsContact O-CB 3.31Å; R122-A126 WeakPolarHBondContact O-CB 3.42Å; R122-A126 PolarHBondContact O-N 2.7Å; K123-A126 PolarHBondContact O-N 3.32Å; E124-A126 VanDerWaalsContact C-N 3.35Å; E124-A126 PolarHBondContact O-N 3.32Å; A126-A130 WeakPolarHBondContact O-CB 3.49Å; A126-A130 PolarHBondContact O-N 2.95Å
127	I	74.7	Confident	70.9	Confident	110 Å²	110	100.6 Å²	100.6	56%	0.564	51%	0.509	S	S	*	.	H	α-helix	trans	-65	-45.7	174.2	-69.1	164.7	0	0	0	109.9	K123 E124 T129 A130 V131	K123-I127 WeakPolarHBondContact O-CD1 3.37Å; K123-I127 VanDerWaalsContact O-CG1 3.25Å; K123-I127 WeakPolarHBondContact O-CG1 3.19Å; K123-I127 PolarHBondContact O-N 2.93Å; E124-I127 PolarHBondContact O-N 2.94Å; I127-T129 PolarHBondContact O-N 3.49Å; I127-A130 PolarHBondContact O-N 3.4Å; I127-V131 WeakPolarHBondContact O-CG2 3.38Å; I127-V131 PolarHBondContact O-N 3.43Å
128	E	81.5	Confident	71.9	Confident	119 Å²	119	97 Å²	97	56%	0.556	50%	0.5	S	S	*	.	H	α-helix	trans	-61	-44.8	178.4	-170.7	173.8	-173.7	0	0	111.8	E124 E125 A130 V131 Q132	E124-E128 PolarHBondContact O-N 2.99Å; E125-E128 PolarHBondContact O-N 3.37Å; E128-A130 VanDerWaalsContact C-N 3.34Å; E128-A130 PolarHBondContact O-N 3.23Å; E128-V131 PolarHBondContact O-N 2.94Å; E128-Q132 WeakPolarHBondContact O-CG 3.45Å; E128-Q132 PolarHBondContact O-N 3.47Å
129	T	75.6	Confident	72.8	Confident	84 Å²	84	97 Å²	97	52%	0.515	50%	0.502	S	S	.	.	H	α-helix	trans	-62.8	-40.2	176.4	-52.8	0	0	0	0	111.6	E125 I127 Q132 M133	E125-T129 WeakPolarHBondContact O-CB 3.31Å; E125-T129 PolarHBondContact O-N 3.48Å; E125-T129 PolarHBondContact O-OG1 3.39Å; I127-T129 PolarHBondContact O-N 3.49Å; T129-Q132 PolarHBondContact O-N 2.94Å; T129-M133 WeakPolarHBondContact O-CB 3.35Å; T129-M133 PolarHBondContact O-N 3.41Å
130	A	75.6	Confident	73.7	Confident	59 Å²	59	96.7 Å²	96.7	49%	0.488	51%	0.508	S	S	.	.	H	α-helix	trans	-65.6	-39.8	176.8	0	0	0	0	0	112.2	A126 I127 E128 M133 E134	A126-A130 WeakPolarHBondContact O-CB 3.49Å; A126-A130 PolarHBondContact O-N 2.95Å; I127-A130 PolarHBondContact O-N 3.4Å; E128-A130 VanDerWaalsContact C-N 3.34Å; E128-A130 PolarHBondContact O-N 3.23Å; A130-M133 PolarHBondContact O-N 2.87Å; A130-E134 PolarHBondContact O-N 3.46Å
131	V	82.4	Confident	74.6	Confident	86 Å²	86	98.6 Å²	98.6	52%	0.521	51%	0.514	S	S	.	.	H	α-helix	trans	-63.2	-46.1	174.6	171.1	0	0	0	0	110.6	I127 E128 M133 E134 V135	I127-V131 WeakPolarHBondContact O-CG2 3.38Å; I127-V131 PolarHBondContact O-N 3.43Å; E128-V131 PolarHBondContact O-N 2.94Å; V131-M133 VanDerWaalsContact C-N 3.33Å; V131-M133 PolarHBondContact O-N 3.26Å; V131-E134 PolarHBondContact O-N 3.24Å; V131-V135 WeakPolarHBondContact O-CG2 3.41Å; V131-V135 PolarHBondContact O-N 3.49Å
132	Q	79.9	Confident	75.1	Confident	119 Å²	119	99.9 Å²	99.9	56%	0.556	52%	0.518	S	S	*	.	H	α-helix	trans	-61.8	-40.4	176.6	-70.8	-177	5.7	0	0	112.1	E128 T129 E134 V135 A136	E128-Q132 WeakPolarHBondContact O-CG 3.45Å; E128-Q132 PolarHBondContact O-N 3.47Å; T129-Q132 PolarHBondContact O-N 2.94Å; Q132-E134 VanDerWaalsContact C-N 3.34Å; Q132-E134 PolarHBondContact O-N 3.41Å; Q132-V135 PolarHBondContact O-N 2.98Å; Q132-A136 WeakPolarHBondContact O-CB 3.46Å; Q132-A136 PolarHBondContact O-N 3.27Å
133	M	78.5	Confident	75.5	Confident	118 Å²	118	102.4 Å²	102.4	58%	0.581	53%	0.528	S	S	*	.	H	α-helix	trans	-62.6	-39.9	175.8	-168.7	99.9	92.4	0	0	111.9	T129 A130 V131 A136 K137	T129-M133 WeakPolarHBondContact O-CB 3.35Å; T129-M133 PolarHBondContact O-N 3.41Å; A130-M133 PolarHBondContact O-N 2.87Å; V131-M133 VanDerWaalsContact C-N 3.33Å; V131-M133 PolarHBondContact O-N 3.26Å; M133-A136 PolarHBondContact O-N 2.95Å; M133-K137 WeakPolarHBondContact O-CG 3.25Å; M133-K137 PolarHBondContact O-N 3.33Å
134	E	79.7	Confident	76	Confident	107 Å²	107	100.5 Å²	100.5	50%	0.5	53%	0.53	S	S	.	.	H	α-helix	trans	-71.3	-38.1	179.1	-163.1	59.1	-157.2	0	0	112	A130 V131 Q132 A136 K137 T138	A130-E134 PolarHBondContact O-N 3.46Å; V131-E134 PolarHBondContact O-N 3.24Å; Q132-E134 VanDerWaalsContact C-N 3.34Å; Q132-E134 PolarHBondContact O-N 3.41Å; E134-A136 VanDerWaalsContact C-N 3.33Å; E134-A136 PolarHBondContact O-N 3.42Å; E134-K137 PolarHBondContact O-N 3.07Å; E134-K137 IonicContact OE2-NZ 3.39Å; E134-T138 WeakPolarHBondContact O-CB 3.38Å; E134-T138 PolarHBondContact O-N 2.9Å; E134-T138 PolarHBondContact O-OG1 3.38Å
135	V	81.3	Confident	76	Confident	95 Å²	95	100.8 Å²	100.8	58%	0.576	53%	0.531	S	S	*	.	H	α-helix	trans	-60.6	-43.7	171.1	173	0	0	0	0	110.6	V131 Q132 T138 H139	V131-V135 WeakPolarHBondContact O-CG2 3.41Å; V131-V135 PolarHBondContact O-N 3.49Å; Q132-V135 PolarHBondContact O-N 2.98Å; V135-T138 PolarHBondContact O-N 2.96Å; V135-H139 WeakPolarHBondContact O-CB 3.36Å; V135-H139 PolarHBondContact O-N 2.92Å
136	A	76.3	Confident	76.1	Confident	57 Å²	57	101.9 Å²	101.9	47%	0.471	54%	0.539	S	S	.	.	H	α-helix	trans	-63	-43.7	177.1	0	0	0	0	0	112.5	Q132 M133 E134 T138 H139 A140	Q132-A136 WeakPolarHBondContact O-CB 3.46Å; Q132-A136 PolarHBondContact O-N 3.27Å; M133-A136 PolarHBondContact O-N 2.95Å; E134-A136 VanDerWaalsContact C-N 3.33Å; E134-A136 PolarHBondContact O-N 3.42Å; A136-T138 PolarHBondContact O-N 3.36Å; A136-H139 PolarHBondContact O-N 3.43Å; A136-A140 WeakPolarHBondContact O-CB 3.42Å; A136-A140 PolarHBondContact O-N 3.01Å
137	K	77.2	Confident	76.3	Confident	127 Å²	127	102.4 Å²	102.4	55%	0.552	54%	0.543	S	S	*	.	H	α-helix	trans	-61.1	-43.7	174.2	-76.9	177.1	-175.4	170.4	0	112.1	M133 E134 H139 A140 K141	M133-K137 WeakPolarHBondContact O-CG 3.25Å; M133-K137 PolarHBondContact O-N 3.33Å; E134-K137 PolarHBondContact O-N 3.07Å; E134-K137 IonicContact OE2-NZ 3.39Å; K137-H139 VanDerWaalsContact C-N 3.33Å; K137-H139 PolarHBondContact O-N 2.98Å; K137-A140 PolarHBondContact O-N 3.37Å; K137-K141 WeakPolarHBondContact O-CB 3.37Å; K137-K141 PolarHBondContact O-N 3.01Å
138	T	77.3	Confident	76.1	Confident	84 Å²	84	102.4 Å²	102.4	52%	0.515	55%	0.548	S	S	.	.	H	α-helix	trans	-63.4	-42.2	178.9	-50.7	0	0	0	0	110.8	E134 V135 A136 K141 K142	E134-T138 WeakPolarHBondContact O-CB 3.38Å; E134-T138 PolarHBondContact O-N 2.9Å; E134-T138 PolarHBondContact O-OG1 3.38Å; V135-T138 PolarHBondContact O-N 2.96Å; A136-T138 PolarHBondContact O-N 3.36Å; T138-K141 PolarHBondContact O-N 3Å; T138-K142 WeakPolarHBondContact O-CB 3.48Å; T138-K142 PolarHBondContact O-N 3.04Å
139	H	76.8	Confident	75.4	Confident	122 Å²	122	102.4 Å²	102.4	57%	0.565	55%	0.546	S	S	*	.	H	α-helix	trans	-64.5	-43.9	175.7	-174.7	-96	0	0	0	112.3	V135 A136 K137 K141 K142 R143	V135-H139 WeakPolarHBondContact O-CB 3.36Å; V135-H139 PolarHBondContact O-N 2.92Å; A136-H139 PolarHBondContact O-N 3.43Å; K137-H139 VanDerWaalsContact C-N 3.33Å; K137-H139 PolarHBondContact O-N 2.98Å; H139-K141 PolarHBondContact O-N 2.91Å; H139-K142 PolarHBondContact O-N 3.41Å; H139-R143 WeakPolarHBondContact O-CB 3.47Å; H139-R143 PolarHBondContact O-N 3.48Å
140	A	74.4	Confident	75.3	Confident	51 Å²	51	101.9 Å²	101.9	42%	0.421	54%	0.543	S	S	.	.	H	α-helix	trans	-61.3	-44.5	175.9	0	0	0	0	0	112.1	A136 K137 K142 R143 C144	A136-A140 WeakPolarHBondContact O-CB 3.42Å; A136-A140 PolarHBondContact O-N 3.01Å; K137-A140 PolarHBondContact O-N 3.37Å; A140-K142 PolarHBondContact O-N 3.23Å; A140-R143 WeakPolarHBondContact O-CB 3.33Å; A140-R143 PolarHBondContact O-N 3.46Å; A140-C144 PolarHBondContact O-N 3.35Å; A140-C144 PolarHBondContact O-SG 2.97Å
141	K	74.7	Confident	74.8	Confident	140 Å²	140	101.1 Å²	101.1	61%	0.609	54%	0.541	S	S	*	.	H	α-helix	trans	-61.2	-44.6	175.7	-172.4	176.8	-178.2	178.3	0	111.8	K137 T138 H139 R143 C144 Q145	K137-K141 WeakPolarHBondContact O-CB 3.37Å; K137-K141 PolarHBondContact O-N 3.01Å; T138-K141 PolarHBondContact O-N 3Å; H139-K141 PolarHBondContact O-N 2.91Å; K141-R143 VanDerWaalsContact C-N 3.33Å; K141-R143 PolarHBondContact O-N 2.96Å; K141-C144 PolarHBondContact O-N 2.94Å; K141-Q145 WeakPolarHBondContact O-CG 3.34Å; K141-Q145 PolarHBondContact O-N 3.22Å
142	K	75.1	Confident	74.1	Confident	131 Å²	131	103.6 Å²	103.6	57%	0.57	54%	0.541	S	S	*	.	H	α-helix	trans	-63	-38.6	176.6	-167.4	171.5	-174.2	176.7	0	111.8	T138 H139 A140 Q145 N146	T138-K142 WeakPolarHBondContact O-CB 3.48Å; T138-K142 PolarHBondContact O-N 3.04Å; H139-K142 PolarHBondContact O-N 3.41Å; A140-K142 PolarHBondContact O-N 3.23Å; K142-Q145 PolarHBondContact O-N 3.01Å; K142-N146 VanDerWaalsContact O-CB 3.32Å; K142-N146 WeakPolarHBondContact O-CB 3.31Å; K142-N146 PolarHBondContact O-N 3.04Å
143	R	74.6	Confident	73.4	Confident	184 Å²	184	100.7 Å²	100.7	69%	0.694	53%	0.529	S	S	*	.	H	α-helix	trans	-64.1	-44.5	175.2	-170.4	178.4	176	112.5	-2.8	112	H139 A140 K141 N146 A147	H139-R143 WeakPolarHBondContact O-CB 3.47Å; H139-R143 PolarHBondContact O-N 3.48Å; A140-R143 WeakPolarHBondContact O-CB 3.33Å; A140-R143 PolarHBondContact O-N 3.46Å; K141-R143 VanDerWaalsContact C-N 3.33Å; K141-R143 PolarHBondContact O-N 2.96Å; R143-N146 PolarHBondContact O-N 2.88Å; R143-A147 PolarHBondContact O-N 3.37Å
144	C	72.5	Confident	73.1	Confident	87 Å²	87	99 Å²	99	59%	0.588	52%	0.523	S	S	*	.	H	α-helix	trans	-63.3	-44.5	175	-70.1	0	0	0	0	112.1	A140 K141 N146 A147 V148	A140-C144 PolarHBondContact O-N 3.35Å; A140-C144 PolarHBondContact O-SG 2.97Å; K141-C144 PolarHBondContact O-N 2.94Å; C144-N146 PolarHBondContact O-N 3.22Å; C144-A147 PolarHBondContact O-N 3.24Å; C144-V148 WeakPolarHBondContact O-CG2 3.46Å; C144-V148 PolarHBondContact O-N 3.03Å
145	Q	70.9	Confident	72.7	Confident	113 Å²	113	100 Å²	100	53%	0.528	53%	0.526	S	S	.	.	H	α-helix	trans	-60.8	-45	175.7	-74.4	176.5	-24.5	0	0	111.5	K141 K142 A147 V148 F149	K141-Q145 WeakPolarHBondContact O-CG 3.34Å; K141-Q145 PolarHBondContact O-N 3.22Å; K142-Q145 PolarHBondContact O-N 3.01Å; Q145-A147 VanDerWaalsContact C-N 3.32Å; Q145-A147 PolarHBondContact O-N 3.48Å; Q145-V148 PolarHBondContact O-N 3.37Å; Q145-F149 VanDerWaalsContact O-CB 3.25Å; Q145-F149 WeakPolarHBondContact O-CB 3.46Å; Q145-F149 PolarHBondContact O-N 3.5Å
146	N	72.7	Confident	71.6	Confident	91 Å²	91	97.2 Å²	97.2	49%	0.487	51%	0.508	S	S	.	.	H	α-helix	trans	-62.3	-38.8	176.5	-75.8	-8.1	0	0	0	111.9	K142 R143 C144 F149 T150	K142-N146 VanDerWaalsContact O-CB 3.32Å; K142-N146 WeakPolarHBondContact O-CB 3.31Å; K142-N146 PolarHBondContact O-N 3.04Å; R143-N146 PolarHBondContact O-N 2.88Å; C144-N146 PolarHBondContact O-N 3.22Å; N146-F149 PolarHBondContact O-N 2.87Å; N146-T150 VanDerWaalsContact O-CB 3.25Å; N146-T150 WeakPolarHBondContact O-CB 3.47Å; N146-T150 PolarHBondContact O-N 2.87Å; N146-T150 PolarHBondContact O-OG1 3.49Å
147	A	71.3	Confident	71.2	Confident	67 Å²	67	101.8 Å²	101.8	55%	0.554	51%	0.513	S	S	*	.	H	α-helix	trans	-62.6	-46.6	176.4	0	0	0	0	0	111.9	R143 C144 Q145 T150 G151	R143-A147 PolarHBondContact O-N 3.37Å; C144-A147 PolarHBondContact O-N 3.24Å; Q145-A147 VanDerWaalsContact C-N 3.32Å; Q145-A147 PolarHBondContact O-N 3.48Å; A147-T150 PolarHBondContact O-N 2.91Å; A147-G151 PolarHBondContact O-N 3.09Å
148	V	69.2	Low	70.6	Confident	109 Å²	109	98.1 Å²	98.1	66%	0.661	50%	0.504	S	S	*	.	H	α-helix	trans	-64.1	-44.3	176.3	175.7	0	0	0	0	111.2	C144 Q145 T150 G151 W152	C144-V148 WeakPolarHBondContact O-CG2 3.46Å; C144-V148 PolarHBondContact O-N 3.03Å; Q145-V148 PolarHBondContact O-N 3.37Å; V148-T150 VanDerWaalsContact C-N 3.34Å; V148-T150 PolarHBondContact O-N 3.3Å; V148-G151 PolarHBondContact O-N 3.48Å; V148-W152 WeakPolarHBondContact O-CB 3.45Å; V148-W152 PolarHBondContact O-N 2.82Å
149	F	68.6	Low	69.7	Low	119 Å²	119	97 Å²	97	52%	0.522	49%	0.494	S	S	.	.	H	α-helix	trans	-67.1	-36.3	-179	-155.7	-96.6	0	0	0	112	Q145 N146 W152 L153	Q145-F149 VanDerWaalsContact O-CB 3.25Å; Q145-F149 WeakPolarHBondContact O-CB 3.46Å; Q145-F149 PolarHBondContact O-N 3.5Å; N146-F149 PolarHBondContact O-N 2.87Å; F149-W152 HydrophobicContact CE2-CE3 4.4Å; F149-W152 HydrophobicContact CE2-CZ3 4.45Å; F149-W152 HydrophobicContact CZ-CE3 4.46Å; F149-W152 HydrophobicContact CZ-CZ3 4.25Å; F149-W152 PolarHBondContact O-N 3.12Å; F149-L153 HydrophobicContact CD1-CD1 3.57Å; F149-L153 HydrophobicContact CD1-CG 3.97Å; F149-L153 HydrophobicContact CE1-CD1 3.69Å; F149-L153 HydrophobicContact CE1-CD2 4.41Å; F149-L153 HydrophobicContact CE1-CG 3.95Å; F149-L153 VanDerWaalsContact O-CB 3.31Å; F149-L153 WeakPolarHBondContact O-CB 3.4Å; F149-L153 WeakPolarHBondContact O-CG 3.41Å; F149-L153 PolarHBondContact O-N 3.33Å
150	T	72.4	Confident	69	Low	74 Å²	74	98.2 Å²	98.2	45%	0.454	50%	0.498	S	S	.	.	H	α-helix	trans	-67.9	-41.7	174.7	-52.1	0	0	0	0	110.8	N146 A147 V148 L153 N154	N146-T150 VanDerWaalsContact O-CB 3.25Å; N146-T150 WeakPolarHBondContact O-CB 3.47Å; N146-T150 PolarHBondContact O-N 2.87Å; N146-T150 PolarHBondContact O-OG1 3.49Å; A147-T150 PolarHBondContact O-N 2.91Å; V148-T150 VanDerWaalsContact C-N 3.34Å; V148-T150 PolarHBondContact O-N 3.3Å; T150-L153 PolarHBondContact O-N 3.28Å; T150-N154 WeakPolarHBondContact O-CB 3.35Å; T150-N154 VanDerWaalsContact O-CG 3.29Å; T150-N154 PolarHBondContact O-N 2.99Å; T150-N154 PolarHBondContact O-ND2 2.89Å
151	G	66.1	Low	68.8	Low	42 Å²	42	99.6 Å²	99.6	43%	0.433	50%	0.502	S	S	.	.	H	α-helix	trans	-60.5	-45.1	172.8	0	0	0	0	0	112.6	A147 V148 N154 F155	A147-G151 PolarHBondContact O-N 3.09Å; V148-G151 PolarHBondContact O-N 3.48Å; G151-N154 PolarHBondContact O-N 3.47Å; G151-F155 PolarHBondContact O-N 2.8Å
152	W	66.1	Low	68.4	Low	138 Å²	138	101.6 Å²	101.6	52%	0.523	51%	0.505	S	S	.	.	H	α-helix	trans	-66	-42.8	176.3	-179.6	83.3	0	0	0	112.6	V148 F149 N154 F155 V156	V148-W152 WeakPolarHBondContact O-CB 3.45Å; V148-W152 PolarHBondContact O-N 2.82Å; F149-W152 HydrophobicContact CE2-CE3 4.4Å; F149-W152 HydrophobicContact CE2-CZ3 4.45Å; F149-W152 HydrophobicContact CZ-CE3 4.46Å; F149-W152 HydrophobicContact CZ-CZ3 4.25Å; F149-W152 PolarHBondContact O-N 3.12Å; W152-N154 VanDerWaalsContact C-N 3.3Å; W152-N154 PolarHBondContact O-N 3.25Å; W152-F155 WeakPolarHBondContact O-CB 3.31Å; W152-F155 PolarHBondContact O-N 2.86Å; W152-F155 VanDerWaalsContact O-N 3.16Å; W152-V156 HydrophobicContact CD2-CG2 3.83Å; W152-V156 VanDerWaalsContact CE2-CG2 3.5Å; W152-V156 HydrophobicContact CE3-CG2 4.18Å; W152-V156 HydrophobicContact CG-CG2 4.44Å; W152-V156 HydrophobicContact CH2-CG2 3.97Å; W152-V156 HydrophobicContact CZ2-CG2 3.58Å; W152-V156 HydrophobicContact CZ3-CG2 4.24Å; W152-V156 WeakPolarHBondContact O-CG2 3.5Å; W152-V156 PolarHBondContact O-N 3.3Å
153	L	65.4	Low	67.6	Low	58 Å²	58	103.5 Å²	103.5	30%	0.304	51%	0.509	S	S	.	.	H	α-helix	trans	-60.2	-40.6	175.3	-84.7	170.4	0	0	0	111.9	F149 T150 V156 R157	F149-L153 HydrophobicContact CD1-CD1 3.57Å; F149-L153 HydrophobicContact CD1-CG 3.97Å; F149-L153 HydrophobicContact CE1-CD1 3.69Å; F149-L153 HydrophobicContact CE1-CD2 4.41Å; F149-L153 HydrophobicContact CE1-CG 3.95Å; F149-L153 VanDerWaalsContact O-CB 3.31Å; F149-L153 WeakPolarHBondContact O-CB 3.4Å; F149-L153 WeakPolarHBondContact O-CG 3.41Å; F149-L153 PolarHBondContact O-N 3.33Å; T150-L153 PolarHBondContact O-N 3.28Å; L153-V156 PolarHBondContact O-N 3.39Å; L153-R157 WeakPolarHBondContact O-CB 3.48Å; L153-R157 WeakPolarHBondContact O-CG 3.38Å; L153-R157 PolarHBondContact O-N 2.84Å
154	N	73.2	Confident	67.1	Low	84 Å²	84	97 Å²	97	45%	0.449	50%	0.495	S	S	.	.	H	α-helix	trans	-66.3	-39.5	175.5	-72.8	-19.3	0	0	0	111.6	T150 G151 W152 R157 S158	T150-N154 WeakPolarHBondContact O-CB 3.35Å; T150-N154 VanDerWaalsContact O-CG 3.29Å; T150-N154 PolarHBondContact O-N 2.99Å; T150-N154 PolarHBondContact O-ND2 2.89Å; G151-N154 PolarHBondContact O-N 3.47Å; W152-N154 VanDerWaalsContact C-N 3.3Å; W152-N154 PolarHBondContact O-N 3.25Å; N154-R157 PolarHBondContact O-N 2.8Å; N154-S158 WeakPolarHBondContact O-CB 3.46Å; N154-S158 PolarHBondContact O-N 3.27Å
155	F	69.9	Low	66.8	Low	128 Å²	128	97.1 Å²	97.1	56%	0.561	49%	0.489	S	S	*	.	H	α-helix	trans	-61.9	-47.7	172.6	174	-104.5	0	0	0	112.1	G151 W152 R157 S158 L159	G151-F155 PolarHBondContact O-N 2.8Å; W152-F155 WeakPolarHBondContact O-CB 3.31Å; W152-F155 PolarHBondContact O-N 2.86Å; W152-F155 VanDerWaalsContact O-N 3.16Å; F155-R157 PolarHBondContact O-N 3.44Å; F155-S158 WeakPolarHBondContact O-CB 3.36Å; F155-S158 PolarHBondContact O-N 2.83Å; F155-L159 HydrophobicContact CD1-CD1 4.15Å; F155-L159 HydrophobicContact CE1-CD1 3.42Å; F155-L159 VanDerWaalsContact CE1-CD1 3.42Å; F155-L159 HydrophobicContact CE2-CD1 4.08Å; F155-L159 HydrophobicContact CZ-CD1 3.39Å; F155-L159 PolarHBondContact O-N 3.38Å
156	V	58.3	Low	66.1	Low	36 Å²	36	98.2 Å²	98.2	22%	0.218	49%	0.492	C	S	.	.	H	α-helix	trans	-63.1	-41.2	177.9	172.1	0	0	0	0	111.4	W152 L153 L159 K160	W152-V156 HydrophobicContact CD2-CG2 3.83Å; W152-V156 VanDerWaalsContact CE2-CG2 3.5Å; W152-V156 HydrophobicContact CE3-CG2 4.18Å; W152-V156 HydrophobicContact CG-CG2 4.44Å; W152-V156 HydrophobicContact CH2-CG2 3.97Å; W152-V156 HydrophobicContact CZ2-CG2 3.58Å; W152-V156 HydrophobicContact CZ3-CG2 4.24Å; W152-V156 WeakPolarHBondContact O-CG2 3.5Å; W152-V156 PolarHBondContact O-N 3.3Å; L153-V156 PolarHBondContact O-N 3.39Å; V156-L159 PolarHBondContact O-N 2.8Å; V156-K160 WeakPolarHBondContact O-CG 3.28Å; V156-K160 PolarHBondContact O-N 3.37Å
157	R	67.8	Low	65.4	Low	152 Å²	152	98.1 Å²	98.1	57%	0.574	49%	0.491	S	S	*	.	H	α-helix	trans	-59.2	-50.8	173	-77.5	179.8	-159.1	156.2	3.2	110.5	L153 N154 F155 L159 K160 T161	L153-R157 WeakPolarHBondContact O-CB 3.48Å; L153-R157 WeakPolarHBondContact O-CG 3.38Å; L153-R157 PolarHBondContact O-N 2.84Å; N154-R157 PolarHBondContact O-N 2.8Å; F155-R157 PolarHBondContact O-N 3.44Å; R157-L159 VanDerWaalsContact C-N 3.28Å; R157-L159 PolarHBondContact O-N 2.79Å; R157-K160 CarbonylContact O-C 3.58Å; R157-K160 WeakPolarHBondContact O-CA 3.43Å; R157-K160 WeakPolarHBondContact O-CB 3.47Å; R157-K160 PolarHBondContact O-N 3.48Å; R157-T161 PolarHBondContact O-N 2.78Å; R157-T161 PolarHBondContact O-OG1 3.48Å
158	S	65.1	Low	65.2	Low	50 Å²	50	100.9 Å²	100.9	35%	0.35	49%	0.494	S	S	.	.	H	α-helix	trans	-56.4	-40.4	177.1	-176.5	0	0	0	0	112.7	N154 F155 T161 R162	N154-S158 WeakPolarHBondContact O-CB 3.46Å; N154-S158 PolarHBondContact O-N 3.27Å; F155-S158 WeakPolarHBondContact O-CB 3.36Å; F155-S158 PolarHBondContact O-N 2.83Å; S158-T161 PolarHBondContact O-N 3.23Å; S158-R162 WeakPolarHBondContact O-CB 3.45Å; S158-R162 WeakPolarHBondContact O-CG 3.35Å; S158-R162 PolarHBondContact O-N 3.43Å
159	L	58.9	Low	64.9	Low	61 Å²	61	102.6 Å²	102.6	32%	0.319	49%	0.493	S	S	.	.	H	α-helix	trans	-66	-40.5	175	-120.9	155.8	0	0	0	112.4	F155 V156 R157 R163	F155-L159 HydrophobicContact CD1-CD1 4.15Å; F155-L159 HydrophobicContact CE1-CD1 3.42Å; F155-L159 VanDerWaalsContact CE1-CD1 3.42Å; F155-L159 HydrophobicContact CE2-CD1 4.08Å; F155-L159 HydrophobicContact CZ-CD1 3.39Å; F155-L159 PolarHBondContact O-N 3.38Å; V156-L159 PolarHBondContact O-N 2.8Å; R157-L159 VanDerWaalsContact C-N 3.28Å; R157-L159 PolarHBondContact O-N 2.79Å; L159-R163 WeakPolarHBondContact O-CB 3.27Å; L159-R163 VanDerWaalsContact O-CG 3.31Å; L159-R163 WeakPolarHBondContact O-CG 3.28Å; L159-R163 PolarHBondContact O-N 2.85Å
160	K	62.1	Low	64.1	Low	147 Å²	147	100.5 Å²	100.5	64%	0.639	49%	0.487	S	S	*	.	H	α-helix	trans	-64.4	-42.9	173.7	-76.8	-175.2	178	-173.4	0	111.4	V156 R157 R163 A164	V156-K160 WeakPolarHBondContact O-CG 3.28Å; V156-K160 PolarHBondContact O-N 3.37Å; R157-K160 CarbonylContact O-C 3.58Å; R157-K160 WeakPolarHBondContact O-CA 3.43Å; R157-K160 WeakPolarHBondContact O-CB 3.47Å; R157-K160 PolarHBondContact O-N 3.48Å; K160-R163 PolarHBondContact O-N 3.35Å; K160-A164 WeakPolarHBondContact O-CB 3.41Å; K160-A164 PolarHBondContact O-N 3.41Å
161	T	69.9	Low	63.3	Low	81 Å²	81	101.9 Å²	101.9	50%	0.497	49%	0.488	S	S	.	.	H	α-helix	trans	-63.2	-46	176.9	-19.2	0	0	0	0	111.2	R157 S158 R163 A164 D165	R157-T161 PolarHBondContact O-N 2.78Å; R157-T161 PolarHBondContact O-OG1 3.48Å; S158-T161 PolarHBondContact O-N 3.23Å; T161-R163 VanDerWaalsContact C-N 3.34Å; T161-R163 PolarHBondContact O-N 2.91Å; T161-A164 PolarHBondContact O-N 3.01Å; T161-D165 PolarHBondContact O-N 3.48Å
162	R	66.4	Low	62.9	Low	182 Å²	182	102.6 Å²	102.6	69%	0.687	49%	0.486	S	S	*	.	H	α-helix	trans	-62.1	-39	176.4	-72.8	176.7	-176.2	-172.3	0.5	112.8	S158 F166	S158-R162 WeakPolarHBondContact O-CB 3.45Å; S158-R162 WeakPolarHBondContact O-CG 3.35Å; S158-R162 PolarHBondContact O-N 3.43Å; R162-F166 WeakPolarHBondContact O-CB 3.37Å; R162-F166 PolarHBondContact O-N 3.22Å
163	R	58.8	Low	62.3	Low	170 Å²	170	100.8 Å²	100.8	64%	0.642	49%	0.486	S	S	*	.	H	α-helix	trans	-67	-41.7	174.1	-77.5	178.8	178.8	-175	0	111.6	L159 K160 T161 F166 I167	L159-R163 WeakPolarHBondContact O-CB 3.27Å; L159-R163 VanDerWaalsContact O-CG 3.31Å; L159-R163 WeakPolarHBondContact O-CG 3.28Å; L159-R163 PolarHBondContact O-N 2.85Å; K160-R163 PolarHBondContact O-N 3.35Å; T161-R163 VanDerWaalsContact C-N 3.34Å; T161-R163 PolarHBondContact O-N 2.91Å; R163-F166 PolarHBondContact O-N 3.26Å; R163-I167 WeakPolarHBondContact O-CB 3.24Å; R163-I167 WeakPolarHBondContact O-CD1 3.2Å; R163-I167 WeakPolarHBondContact O-CG1 3.31Å; R163-I167 PolarHBondContact O-N 2.64Å
164	A	62.7	Low	61.4	Low	48 Å²	48	102.4 Å²	102.4	40%	0.397	49%	0.493	S	S	.	.	H	α-helix	trans	-62.6	-44.9	175.8	0	0	0	0	0	111.4	K160 T161 F166 I167 M168	K160-A164 WeakPolarHBondContact O-CB 3.41Å; K160-A164 PolarHBondContact O-N 3.41Å; T161-A164 PolarHBondContact O-N 3.01Å; A164-F166 VanDerWaalsContact C-N 3.32Å; A164-F166 PolarHBondContact O-N 3.43Å; A164-I167 PolarHBondContact O-N 3.24Å; A164-M168 WeakPolarHBondContact O-CB 3.29Å; A164-M168 WeakPolarHBondContact O-CG 3.45Å; A164-M168 PolarHBondContact O-N 3.06Å
165	D	67.6	Low	60.6	Low	89 Å²	89	102.8 Å²	102.8	48%	0.476	50%	0.495	S	S	.	.	H	α-helix	trans	-61.3	-39.8	174.4	-75.6	-14.9	0	0	0	112.1	T161 K169	T161-D165 PolarHBondContact O-N 3.48Å; D165-K169 WeakPolarHBondContact O-CB 3.34Å; D165-K169 VanDerWaalsContact O-CG 3.3Å; D165-K169 WeakPolarHBondContact O-CG 3.21Å; D165-K169 PolarHBondContact O-N 3.32Å
166	F	55.6	Low	59.9	Low	136 Å²	136	103.5 Å²	103.5	60%	0.596	50%	0.498	S	S	*	.	H	α-helix	trans	-68.1	-41.6	176.8	-168	-103.7	0	0	0	111.9	R162 R163 A164 K169 L170	R162-F166 WeakPolarHBondContact O-CB 3.37Å; R162-F166 PolarHBondContact O-N 3.22Å; R163-F166 PolarHBondContact O-N 3.26Å; A164-F166 VanDerWaalsContact C-N 3.32Å; A164-F166 PolarHBondContact O-N 3.43Å; F166-K169 PolarHBondContact O-N 3.02Å; F166-L170 HydrophobicContact CD1-CD1 3.59Å; F166-L170 HydrophobicContact CD1-CG 4.41Å; F166-L170 HydrophobicContact CE1-CD1 3.39Å; F166-L170 HydrophobicContact CE1-CG 4.2Å; F166-L170 HydrophobicContact CZ-CD1 4.2Å; F166-L170 WeakPolarHBondContact O-CB 3.3Å; F166-L170 PolarHBondContact O-N 3.48Å
167	I	57.3	Low	60	Low	89 Å²	89	106.6 Å²	106.6	46%	0.456	51%	0.512	S	S	.	.	H	α-helix	trans	-64.9	-42.9	175.1	-71.2	165.8	0	0	0	110.4	R163 A164 K169 L170 Q171	R163-I167 WeakPolarHBondContact O-CB 3.24Å; R163-I167 WeakPolarHBondContact O-CD1 3.2Å; R163-I167 WeakPolarHBondContact O-CG1 3.31Å; R163-I167 PolarHBondContact O-N 2.64Å; A164-I167 PolarHBondContact O-N 3.24Å; I167-K169 PolarHBondContact O-N 2.58Å; I167-L170 CarbonylContact O-C 3.59Å; I167-L170 WeakPolarHBondContact O-CB 3.28Å; I167-L170 PolarHBondContact O-N 3.49Å; I167-Q171 HydrophobicContact CG2-CG 4.38Å; I167-Q171 WeakPolarHBondContact O-CB 3.3Å; I167-Q171 WeakPolarHBondContact O-CG 3.49Å; I167-Q171 PolarHBondContact O-N 3.05Å
168	M	67.4	Low	59.3	Low	126 Å²	126	104.9 Å²	104.9	62%	0.621	51%	0.507	S	S	*	.	H	α-helix	trans	-63.8	-39.5	175.6	-77.1	-171.4	68.9	0	0	112	A164 Q171 S172	A164-M168 WeakPolarHBondContact O-CB 3.29Å; A164-M168 WeakPolarHBondContact O-CG 3.45Å; A164-M168 PolarHBondContact O-N 3.06Å; M168-Q171 PolarHBondContact O-N 3.25Å; M168-S172 WeakPolarHBondContact O-CB 3.45Å; M168-S172 PolarHBondContact O-N 3.47Å
169	K	64	Low	58.5	Low	144 Å²	144	107.6 Å²	107.6	63%	0.626	52%	0.516	S	S	*	.	H	α-helix	trans	-64.3	-42.3	173.4	-77	175.1	-177.7	178.8	0	111.7	D165 F166 I167 L173	D165-K169 WeakPolarHBondContact O-CB 3.34Å; D165-K169 VanDerWaalsContact O-CG 3.3Å; D165-K169 WeakPolarHBondContact O-CG 3.21Å; D165-K169 PolarHBondContact O-N 3.32Å; F166-K169 PolarHBondContact O-N 3.02Å; I167-K169 PolarHBondContact O-N 2.58Å; K169-L173 WeakPolarHBondContact O-CB 3.36Å; K169-L173 WeakPolarHBondContact O-CG 3.44Å; K169-L173 PolarHBondContact O-N 3.14Å
170	L	50.3	Low	58.2	Low	76 Å²	76	112.2 Å²	112.2	40%	0.398	53%	0.534	S	S	.	.	H	α-helix	trans	-64.3	-42.5	174.4	-84.8	167.3	0	0	0	112	F166 I167 L173 M174	F166-L170 HydrophobicContact CD1-CD1 3.59Å; F166-L170 HydrophobicContact CD1-CG 4.41Å; F166-L170 HydrophobicContact CE1-CD1 3.39Å; F166-L170 HydrophobicContact CE1-CG 4.2Å; F166-L170 HydrophobicContact CZ-CD1 4.2Å; F166-L170 WeakPolarHBondContact O-CB 3.3Å; F166-L170 PolarHBondContact O-N 3.48Å; I167-L170 CarbonylContact O-C 3.59Å; I167-L170 WeakPolarHBondContact O-CB 3.28Å; I167-L170 PolarHBondContact O-N 3.49Å; L170-L173 PolarHBondContact O-N 3.28Å; L170-M174 WeakPolarHBondContact O-CB 3.23Å; L170-M174 VanDerWaalsContact O-CG 3.29Å; L170-M174 WeakPolarHBondContact O-CG 3.48Å; L170-M174 PolarHBondContact O-N 3.19Å
171	Q	55.7	Low	57.7	Low	103 Å²	103	113.1 Å²	113.1	48%	0.481	53%	0.533	S	S	.	.	H	α-helix	trans	-65.3	-44.4	176.1	-81.5	170.9	-39.4	0	0	111.2	I167 M168 L173 M174 D175	I167-Q171 HydrophobicContact CG2-CG 4.38Å; I167-Q171 WeakPolarHBondContact O-CB 3.3Å; I167-Q171 WeakPolarHBondContact O-CG 3.49Å; I167-Q171 PolarHBondContact O-N 3.05Å; M168-Q171 PolarHBondContact O-N 3.25Å; Q171-L173 VanDerWaalsContact C-N 3.29Å; Q171-L173 PolarHBondContact O-N 3.07Å; Q171-M174 CarbonylContact O-C 3.57Å; Q171-M174 PolarHBondContact O-N 3Å; Q171-M174 VanDerWaalsContact O-N 3.13Å; Q171-D175 WeakPolarHBondContact O-CB 3.1Å; Q171-D175 PolarHBondContact O-N 3.19Å
172	S	58.8	Low	56.7	Low	56 Å²	56	117.1 Å²	117.1	39%	0.392	54%	0.54	S	S	.	.	H	α-helix	trans	-59.7	-38.2	173	151.7	0	0	0	0	112.5	M168 K176	M168-S172 WeakPolarHBondContact O-CB 3.45Å; M168-S172 PolarHBondContact O-N 3.47Å; S172-K176 WeakPolarHBondContact O-CB 3.48Å; S172-K176 VanDerWaalsContact O-CG 3.3Å; S172-K176 WeakPolarHBondContact O-CG 3.26Å; S172-K176 PolarHBondContact O-N 3.16Å
173	L	54.1	Low	55.9	Low	101 Å²	101	113.5 Å²	113.5	53%	0.529	53%	0.534	S	S	.	.	H	α-helix	trans	-68.4	-42.9	174.2	-75.7	167.7	0	0	0	111.4	K169 L170 Q171 K176 I177	K169-L173 WeakPolarHBondContact O-CB 3.36Å; K169-L173 WeakPolarHBondContact O-CG 3.44Å; K169-L173 PolarHBondContact O-N 3.14Å; L170-L173 PolarHBondContact O-N 3.28Å; Q171-L173 VanDerWaalsContact C-N 3.29Å; Q171-L173 PolarHBondContact O-N 3.07Å; L173-K176 PolarHBondContact O-N 2.87Å; L173-I177 WeakPolarHBondContact O-CD1 3.18Å; L173-I177 WeakPolarHBondContact O-CG1 3.47Å; L173-I177 PolarHBondContact O-N 3.16Å
174	M	46.6	Very low	55.7	Low	91 Å²	91	109 Å²	109	45%	0.448	53%	0.525	S	S	.	.	H	α-helix	trans	-65.3	-41.8	176.3	-77	-178.9	54.1	0	0	111.9	L170 Q171 I177 Y178	L170-M174 WeakPolarHBondContact O-CB 3.23Å; L170-M174 VanDerWaalsContact O-CG 3.29Å; L170-M174 WeakPolarHBondContact O-CG 3.48Å; L170-M174 PolarHBondContact O-N 3.19Å; Q171-M174 CarbonylContact O-C 3.57Å; Q171-M174 PolarHBondContact O-N 3Å; Q171-M174 VanDerWaalsContact O-N 3.13Å; M174-I177 CarbonylContact O-C 3.46Å; M174-I177 WeakPolarHBondContact O-CA 3.48Å; M174-I177 WeakPolarHBondContact O-CB 3.46Å; M174-I177 PolarHBondContact O-N 2.79Å; M174-I177 VanDerWaalsContact O-N 3.1Å; M174-Y178 HydrophobicContact CB-CD2 4.26Å; M174-Y178 HydrophobicContact CB-CE2 4.36Å; M174-Y178 HydrophobicContact CE-CE2 3.7Å; M174-Y178 WeakPolarHBondContact O-CB 3.18Å; M174-Y178 WeakPolarHBondContact O-CD2 3.29Å; M174-Y178 PolarHBondContact O-N 3.24Å
175	D	55.1	Low	55	Low	92 Å²	92	109.5 Å²	109.5	49%	0.492	53%	0.526	S	S	.	.	H	α-helix	trans	-66.3	-38.9	178.1	-70.5	-19.4	0	0	0	110.8	Q171 I177 Y178 I179	Q171-D175 WeakPolarHBondContact O-CB 3.1Å; Q171-D175 PolarHBondContact O-N 3.19Å; D175-I177 VanDerWaalsContact C-N 3.32Å; D175-I177 PolarHBondContact O-N 2.83Å; D175-Y178 PolarHBondContact O-N 2.99Å; D175-I179 WeakPolarHBondContact O-CB 3.49Å; D175-I179 VanDerWaalsContact O-CG1 3.24Å; D175-I179 WeakPolarHBondContact O-CG1 3.46Å; D175-I179 PolarHBondContact O-N 3.46Å
176	K	56.2	Low	54	Low	143 Å²	143	114.4 Å²	114.4	62%	0.622	54%	0.538	S	S	*	.	H	α-helix	trans	-61.7	-39.9	169.7	-77.1	177.7	-177.4	-177.8	0	112	S172 L173 K180	S172-K176 WeakPolarHBondContact O-CB 3.48Å; S172-K176 VanDerWaalsContact O-CG 3.3Å; S172-K176 WeakPolarHBondContact O-CG 3.26Å; S172-K176 PolarHBondContact O-N 3.16Å; L173-K176 PolarHBondContact O-N 2.87Å; K176-K180 VanDerWaalsContact O-CB 3.26Å; K176-K180 WeakPolarHBondContact O-CB 3.28Å; K176-K180 PolarHBondContact O-N 3.11Å; K176-K180 VanDerWaalsContact O-N 3.11Å
177	I	59.1	Low	53.7	Low	101 Å²	101	113.6 Å²	113.6	52%	0.518	54%	0.535	S	S	.	.	H	α-helix	trans	-70.5	-39.2	176.4	-68	163.4	0	0	0	111.1	L173 M174 D175 K180 R181	L173-I177 WeakPolarHBondContact O-CD1 3.18Å; L173-I177 WeakPolarHBondContact O-CG1 3.47Å; L173-I177 PolarHBondContact O-N 3.16Å; M174-I177 CarbonylContact O-C 3.46Å; M174-I177 WeakPolarHBondContact O-CA 3.48Å; M174-I177 WeakPolarHBondContact O-CB 3.46Å; M174-I177 PolarHBondContact O-N 2.79Å; M174-I177 VanDerWaalsContact O-N 3.1Å; D175-I177 VanDerWaalsContact C-N 3.32Å; D175-I177 PolarHBondContact O-N 2.83Å; I177-K180 PolarHBondContact O-N 2.94Å; I177-R181 WeakPolarHBondContact O-CB 3.4Å; I177-R181 PolarHBondContact O-N 3.33Å
178	Y	52.7	Low	53.8	Low	116 Å²	116	114 Å²	114	46%	0.455	54%	0.537	S	S	.	.	H	α-helix	trans	-69.2	-47.5	178.8	-87.4	-65.5	0	0	0	111.4	M174 D175 K180 R181 Y182	M174-Y178 HydrophobicContact CB-CD2 4.26Å; M174-Y178 HydrophobicContact CB-CE2 4.36Å; M174-Y178 HydrophobicContact CE-CE2 3.7Å; M174-Y178 WeakPolarHBondContact O-CB 3.18Å; M174-Y178 WeakPolarHBondContact O-CD2 3.29Å; M174-Y178 PolarHBondContact O-N 3.24Å; D175-Y178 PolarHBondContact O-N 2.99Å; Y178-K180 VanDerWaalsContact C-N 3.27Å; Y178-K180 PolarHBondContact O-N 3.38Å; Y178-R181 CarbonylContact O-C 3.49Å; Y178-R181 PolarHBondContact O-N 3.01Å; Y178-R181 VanDerWaalsContact O-N 3.15Å; Y178-Y182 HydrophobicContact CD1-CE2 4.42Å; Y178-Y182 WeakPolarHBondContact O-CB 3.31Å; Y178-Y182 VanDerWaalsContact O-CD2 3.27Å; Y178-Y182 WeakPolarHBondContact O-CD2 3.32Å; Y178-Y182 PolarHBondContact O-N 3.09Å
179	I	50.2	Low	53.2	Low	107 Å²	107	113.5 Å²	113.5	55%	0.549	54%	0.536	S	S	.	.	H	α-helix	trans	-59.3	-42.5	174.8	-69.9	166.8	0	0	0	109.7	D175 Y182 I183	D175-I179 WeakPolarHBondContact O-CB 3.49Å; D175-I179 VanDerWaalsContact O-CG1 3.24Å; D175-I179 WeakPolarHBondContact O-CG1 3.46Å; D175-I179 PolarHBondContact O-N 3.46Å; I179-Y182 PolarHBondContact O-N 3.27Å; I179-I183 HydrophobicContact CG2-CD1 3.72Å; I179-I183 HydrophobicContact CG2-CG1 4.4Å; I179-I183 WeakPolarHBondContact O-CB 3.34Å; I179-I183 VanDerWaalsContact O-CG1 3.23Å; I179-I183 WeakPolarHBondContact O-CG1 3.41Å; I179-I183 PolarHBondContact O-N 2.58Å
180	K	52.8	Low	52.6	Low	158 Å²	158	109 Å²	109	69%	0.687	53%	0.526	S	S	*	.	H	α-helix	trans	-62	-46.1	174.9	-159.6	174.2	-175.7	-178.2	0	111.3	K176 I177 Y178 I183 T184	K176-K180 VanDerWaalsContact O-CB 3.26Å; K176-K180 WeakPolarHBondContact O-CB 3.28Å; K176-K180 PolarHBondContact O-N 3.11Å; K176-K180 VanDerWaalsContact O-N 3.11Å; I177-K180 PolarHBondContact O-N 2.94Å; Y178-K180 VanDerWaalsContact C-N 3.27Å; Y178-K180 PolarHBondContact O-N 3.38Å; K180-I183 PolarHBondContact O-N 3.29Å; K180-T184 PolarHBondContact O-N 2.98Å; K180-T184 PolarHBondContact O-OG1 3.3Å
181	R	51.3	Low	52.8	Low	166 Å²	166	109.9 Å²	109.9	63%	0.626	53%	0.529	S	S	*	.	H	α-helix	trans	-64	-40.1	175.3	-82.1	179.7	88.8	168.6	7.2	113.2	I177 Y178 T184 S185	I177-R181 WeakPolarHBondContact O-CB 3.4Å; I177-R181 PolarHBondContact O-N 3.33Å; Y178-R181 CarbonylContact O-C 3.49Å; Y178-R181 PolarHBondContact O-N 3.01Å; Y178-R181 VanDerWaalsContact O-N 3.15Å; R181-T184 PolarHBondContact O-N 2.79Å; R181-S185 VanDerWaalsContact O-CB 3.25Å; R181-S185 WeakPolarHBondContact O-CB 3.41Å; R181-S185 PolarHBondContact O-N 3.17Å; R181-S185 PolarHBondContact O-OG 3.32Å
182	Y	48.3	Very low	52.7	Low	166 Å²	166	108.9 Å²	108.9	65%	0.651	53%	0.527	S	S	*	.	H	α-helix	trans	-65.1	-45	177	-92.5	-73.5	0	0	0	111.1	Y178 I179 S185 W186	Y178-Y182 HydrophobicContact CD1-CE2 4.42Å; Y178-Y182 WeakPolarHBondContact O-CB 3.31Å; Y178-Y182 VanDerWaalsContact O-CD2 3.27Å; Y178-Y182 WeakPolarHBondContact O-CD2 3.32Å; Y178-Y182 PolarHBondContact O-N 3.09Å; I179-Y182 PolarHBondContact O-N 3.27Å; Y182-S185 PolarHBondContact O-N 3.11Å; Y182-W186 VanDerWaalsContact O-CB 3.22Å; Y182-W186 WeakPolarHBondContact O-CB 3.43Å; Y182-W186 PolarHBondContact O-N 2.84Å
183	I	49.4	Very low	52.4	Low	106 Å²	106	108.4 Å²	108.4	54%	0.544	52%	0.523	S	S	.	.	H	α-helix	trans	-61.4	-45.7	174.8	-69.3	169.2	0	0	0	110.1	I179 K180 S185 W186 H187	I179-I183 HydrophobicContact CG2-CD1 3.72Å; I179-I183 HydrophobicContact CG2-CG1 4.4Å; I179-I183 WeakPolarHBondContact O-CB 3.34Å; I179-I183 VanDerWaalsContact O-CG1 3.23Å; I179-I183 WeakPolarHBondContact O-CG1 3.41Å; I179-I183 PolarHBondContact O-N 2.58Å; K180-I183 PolarHBondContact O-N 3.29Å; I183-S185 PolarHBondContact O-N 3.42Å; I183-W186 PolarHBondContact O-N 3.36Å; I183-H187 WeakPolarHBondContact O-CB 3.26Å; I183-H187 PolarHBondContact O-N 2.94Å
184	T	53.9	Low	52.5	Low	76 Å²	76	109.7 Å²	109.7	47%	0.466	53%	0.525	S	S	.	.	H	α-helix	trans	-64.4	-39.8	178	-45.2	0	0	0	0	112	K180 R181 H187 I188	K180-T184 PolarHBondContact O-N 2.98Å; K180-T184 PolarHBondContact O-OG1 3.3Å; R181-T184 PolarHBondContact O-N 2.79Å; T184-H187 WeakPolarHBondContact O-CB 3.42Å; T184-H187 PolarHBondContact O-N 3.32Å; T184-I188 HydrophobicContact CG2-CD1 4.26Å; T184-I188 WeakPolarHBondContact O-CD1 3.5Å; T184-I188 VanDerWaalsContact O-CG1 3.22Å; T184-I188 WeakPolarHBondContact O-CG1 3.35Å; T184-I188 PolarHBondContact O-N 2.89Å
185	S	49.4	Very low	52.9	Low	58 Å²	58	112.9 Å²	112.9	41%	0.406	53%	0.532	S	S	.	.	H	α-helix	trans	-70.2	-39.4	179.5	-55.9	0	0	0	0	111.4	R181 Y182 I183 H187 I188 I189	R181-S185 VanDerWaalsContact O-CB 3.25Å; R181-S185 WeakPolarHBondContact O-CB 3.41Å; R181-S185 PolarHBondContact O-N 3.17Å; R181-S185 PolarHBondContact O-OG 3.32Å; Y182-S185 PolarHBondContact O-N 3.11Å; I183-S185 PolarHBondContact O-N 3.42Å; S185-H187 VanDerWaalsContact C-N 3.33Å; S185-I188 PolarHBondContact O-N 2.91Å; S185-I189 VanDerWaalsContact O-CG1 3.3Å; S185-I189 WeakPolarHBondContact O-CG1 3.43Å; S185-I189 PolarHBondContact O-N 3.27Å
186	W	46.7	Very low	52.6	Low	192 Å²	192	114.3 Å²	114.3	73%	0.727	54%	0.536	S	S	*	.	H	α-helix	trans	-65.9	-37.7	173.4	-163.7	72.1	0	0	0	111.4	Y182 I183 I189 A190	Y182-W186 VanDerWaalsContact O-CB 3.22Å; Y182-W186 WeakPolarHBondContact O-CB 3.43Å; Y182-W186 PolarHBondContact O-N 2.84Å; I183-W186 PolarHBondContact O-N 3.36Å; W186-I189 PolarHBondContact O-N 3.01Å; W186-A190 VanDerWaalsContact O-CB 3.25Å; W186-A190 WeakPolarHBondContact O-CB 3.41Å; W186-A190 PolarHBondContact O-N 2.98Å
187	H	49.2	Very low	52.5	Low	118 Å²	118	115.9 Å²	115.9	55%	0.546	54%	0.538	S	S	.	.	H	α-helix	trans	-63.9	-41.7	173.5	-146.1	65.9	0	0	0	111.9	I183 T184 S185 A190 M191	I183-H187 WeakPolarHBondContact O-CB 3.26Å; I183-H187 PolarHBondContact O-N 2.94Å; T184-H187 WeakPolarHBondContact O-CB 3.42Å; T184-H187 PolarHBondContact O-N 3.32Å; S185-H187 VanDerWaalsContact C-N 3.33Å; H187-A190 PolarHBondContact O-N 3.21Å; H187-M191 WeakPolarHBondContact O-CB 2.83Å; H187-M191 VanDerWaalsContact O-CG 3.31Å; H187-M191 WeakPolarHBondContact O-CG 3.48Å; H187-M191 PolarHBondContact O-N 3.44Å
188	I	59.1	Low	52.5	Low	98 Å²	98	115.5 Å²	115.5	50%	0.503	53%	0.534	S	S	.	.	H	α-helix	trans	-62.8	-47.2	175.7	-69.9	162.2	0	0	0	110.9	T184 S185 A190 M191 D192	T184-I188 HydrophobicContact CG2-CD1 4.26Å; T184-I188 WeakPolarHBondContact O-CD1 3.5Å; T184-I188 VanDerWaalsContact O-CG1 3.22Å; T184-I188 WeakPolarHBondContact O-CG1 3.35Å; T184-I188 PolarHBondContact O-N 2.89Å; S185-I188 PolarHBondContact O-N 2.91Å; I188-A190 PolarHBondContact O-N 3.03Å; I188-M191 PolarHBondContact O-N 3.49Å; I188-D192 PolarHBondContact O-N 3.35Å
189	I	54.5	Low	52.4	Low	115 Å²	115	116.8 Å²	116.8	59%	0.59	54%	0.539	S	S	*	.	H	α-helix	trans	-65.3	-39.8	179	-66.6	167.2	0	0	0	111.2	S185 W186 D192 S193	S185-I189 VanDerWaalsContact O-CG1 3.3Å; S185-I189 WeakPolarHBondContact O-CG1 3.43Å; S185-I189 PolarHBondContact O-N 3.27Å; W186-I189 PolarHBondContact O-N 3.01Å; I189-D192 PolarHBondContact O-N 3.12Å; I189-S193 WeakPolarHBondContact O-CB 3.25Å; I189-S193 PolarHBondContact O-N 3.47Å
190	A	51.6	Low	52.1	Low	50 Å²	50	117.5 Å²	117.5	41%	0.413	54%	0.538	S	S	.	.	H	α-helix	trans	-65.2	-39.1	175.9	0	0	0	0	0	112.2	W186 H187 I188 K194	W186-A190 VanDerWaalsContact O-CB 3.25Å; W186-A190 WeakPolarHBondContact O-CB 3.41Å; W186-A190 PolarHBondContact O-N 2.98Å; H187-A190 PolarHBondContact O-N 3.21Å; I188-A190 PolarHBondContact O-N 3.03Å; A190-K194 PolarHBondContact O-N 3.4Å; A190-K194 VanDerWaalsContact O-N 3.12Å
191	M	55	Low	52.2	Low	94 Å²	94	117.4 Å²	117.4	46%	0.463	54%	0.538	S	S	.	.	H	α-helix	trans	-69.3	-39	175	-73.8	-162.6	84.3	0	0	112.6	H187 I188 K194 R195	H187-M191 WeakPolarHBondContact O-CB 2.83Å; H187-M191 VanDerWaalsContact O-CG 3.31Å; H187-M191 WeakPolarHBondContact O-CG 3.48Å; H187-M191 PolarHBondContact O-N 3.44Å; I188-M191 PolarHBondContact O-N 3.49Å; M191-K194 PolarHBondContact O-N 3.26Å; M191-R195 WeakPolarHBondContact O-CB 3.22Å; M191-R195 WeakPolarHBondContact O-CG 3.49Å; M191-R195 PolarHBondContact O-N 3.49Å
192	D	52.4	Low	52.3	Low	83 Å²	83	116 Å²	116	44%	0.444	54%	0.536	S	S	.	.	H	α-helix	trans	-66	-38.9	175.1	-88.4	-4.5	0	0	0	111.8	I188 I189 K194 R195 Q196	I188-D192 PolarHBondContact O-N 3.35Å; I189-D192 PolarHBondContact O-N 3.12Å; D192-K194 VanDerWaalsContact C-N 3.31Å; D192-K194 PolarHBondContact O-N 2.87Å; D192-R195 PolarHBondContact O-N 3.33Å; D192-Q196 WeakPolarHBondContact O-CB 3.27Å; D192-Q196 WeakPolarHBondContact O-CG 3.26Å; D192-Q196 PolarHBondContact O-N 3.26Å
193	S	54	Low	52.4	Low	45 Å²	45	111.5 Å²	111.5	32%	0.315	52%	0.523	S	S	.	.	H	α-helix	trans	-63.3	-36.2	173	-173.3	0	0	0	0	112.3	I189 R197	I189-S193 WeakPolarHBondContact O-CB 3.25Å; I189-S193 PolarHBondContact O-N 3.47Å; S193-R197 WeakPolarHBondContact O-CG 3.12Å; S193-R197 PolarHBondContact O-N 3.16Å; S193-R197 PolarHBondContact OG-NH2 3.41Å; S193-R197 VanDerWaalsContact OG-NH2 3.16Å
194	K	54.8	Low	52.2	Low	129 Å²	129	113.3 Å²	113.3	56%	0.561	53%	0.529	S	S	*	.	H	α-helix	trans	-69.3	-44.5	174.7	-171.2	-179.8	176.6	-176	0	111.5	A190 M191 D192 R197 E198	A190-K194 PolarHBondContact O-N 3.4Å; A190-K194 VanDerWaalsContact O-N 3.12Å; M191-K194 PolarHBondContact O-N 3.26Å; D192-K194 VanDerWaalsContact C-N 3.31Å; D192-K194 PolarHBondContact O-N 2.87Å; K194-R197 PolarHBondContact O-N 3.26Å; K194-E198 WeakPolarHBondContact CE-OE1 3.18Å; K194-E198 PolarHBondContact O-N 3.39Å
195	R	55.3	Low	52.1	Low	158 Å²	158	112.1 Å²	112.1	60%	0.596	53%	0.527	S	S	*	.	H	α-helix	trans	-64	-38.7	177	-78.5	176.9	173.2	173.1	-2.2	112.6	M191 D192 E198 Y199	M191-R195 WeakPolarHBondContact O-CB 3.22Å; M191-R195 WeakPolarHBondContact O-CG 3.49Å; M191-R195 PolarHBondContact O-N 3.49Å; D192-R195 PolarHBondContact O-N 3.33Å; R195-E198 PolarHBondContact O-N 2.94Å; R195-Y199 VanDerWaalsContact O-CB 3.25Å; R195-Y199 WeakPolarHBondContact O-CB 3.29Å; R195-Y199 PolarHBondContact O-N 3.5Å
196	Q	49.3	Very low	51.9	Low	122 Å²	122	114 Å²	114	57%	0.57	53%	0.532	S	S	*	.	H	α-helix	trans	-63.3	-43.6	173.8	-81.2	-173.3	-36.5	0	0	111.6	D192 E198 Y199 F200	D192-Q196 WeakPolarHBondContact O-CB 3.27Å; D192-Q196 WeakPolarHBondContact O-CG 3.26Å; D192-Q196 PolarHBondContact O-N 3.26Å; Q196-E198 VanDerWaalsContact C-N 3.33Å; Q196-E198 PolarHBondContact O-N 3.19Å; Q196-Y199 PolarHBondContact O-N 3.03Å; Q196-F200 WeakPolarHBondContact O-CD2 3.41Å; Q196-F200 PolarHBondContact O-N 2.85Å
197	R	54.6	Low	51.8	Low	175 Å²	175	110.6 Å²	110.6	66%	0.66	53%	0.533	S	S	*	.	H	α-helix	trans	-61.2	-40.3	174.5	-76	-180	-124.1	178.6	-1.6	112.7	S193 K194 K201	S193-R197 WeakPolarHBondContact O-CG 3.12Å; S193-R197 PolarHBondContact O-N 3.16Å; S193-R197 PolarHBondContact OG-NH2 3.41Å; S193-R197 VanDerWaalsContact OG-NH2 3.16Å; K194-R197 PolarHBondContact O-N 3.26Å; R197-K201 WeakPolarHBondContact O-CB 3.37Å; R197-K201 PolarHBondContact O-N 2.8Å; R197-K201 VanDerWaalsContact O-N 3.08Å
198	E	58.1	Low	51.6	Low	93 Å²	93	113.7 Å²	113.7	44%	0.435	55%	0.545	S	S	.	.	H	α-helix	trans	-70.3	-34.3	176.2	-73.5	173.6	-174.3	0	0	112.6	K194 R195 Q196 K202	K194-E198 WeakPolarHBondContact CE-OE1 3.18Å; K194-E198 PolarHBondContact O-N 3.39Å; R195-E198 PolarHBondContact O-N 2.94Å; Q196-E198 VanDerWaalsContact C-N 3.33Å; Q196-E198 PolarHBondContact O-N 3.19Å; E198-K202 WeakPolarHBondContact O-CB 3.41Å; E198-K202 WeakPolarHBondContact O-CG 3.27Å; E198-K202 PolarHBondContact O-N 3.28Å
199	Y	49.9	Very low	50.8	Low	144 Å²	144	116.3 Å²	116.3	57%	0.565	56%	0.555	S	S	*	*	H	α-helix	trans	-66.4	-45.7	175	175.5	-104.7	0	0	0	112	R195 Q196 K202 L203	R195-Y199 VanDerWaalsContact O-CB 3.25Å; R195-Y199 WeakPolarHBondContact O-CB 3.29Å; R195-Y199 PolarHBondContact O-N 3.5Å; Q196-Y199 PolarHBondContact O-N 3.03Å; Y199-K202 PolarHBondContact O-N 3.06Å; Y199-L203 HydrophobicContact CD1-CD1 3.67Å; Y199-L203 HydrophobicContact CD2-CD1 4.37Å; Y199-L203 HydrophobicContact CE1-CD1 3.2Å; Y199-L203 HydrophobicContact CE2-CD1 3.96Å; Y199-L203 HydrophobicContact CG-CD1 4.24Å; Y199-L203 PolarHBondContact O-N 3.46Å
200	F	45	Very low	49.9	Very low	122 Å²	122	120.5 Å²	120.5	54%	0.535	57%	0.569	S	S	.	*	H	α-helix	trans	-67	-37.7	175.5	-75.1	-68.7	0	0	0	112.3	Q196 K202 L203 E204	Q196-F200 WeakPolarHBondContact O-CD2 3.41Å; Q196-F200 PolarHBondContact O-N 2.85Å; F200-K202 VanDerWaalsContact C-N 3.33Å; F200-K202 PolarHBondContact O-N 3.45Å; F200-L203 HydrophobicContact CD1-CD1 4.48Å; F200-L203 PolarHBondContact O-N 2.61Å; F200-E204 PolarHBondContact O-N 2.93Å
201	K	55	Low	49.1	Very low	155 Å²	155	126.2 Å²	126.2	67%	0.674	59%	0.593	S	S	*	*	H	α-helix	trans	-60.8	-38.4	170.3	-88.6	-173.7	171.8	-174.3	0	113.1	R197 A205	R197-K201 WeakPolarHBondContact O-CB 3.37Å; R197-K201 PolarHBondContact O-N 2.8Å; R197-K201 VanDerWaalsContact O-N 3.08Å; K201-A205 WeakPolarHBondContact O-CB 3.21Å; K201-A205 PolarHBondContact O-N 3.33Å; K201-A205 VanDerWaalsContact O-N 3.07Å
202	K	53.6	Low	48	Very low	136 Å²	136	124.6 Å²	124.6	59%	0.591	60%	0.6	S	S	*	*	H	α-helix	trans	-73.6	-32.8	176.7	-78.5	178.8	177.5	-178.7	0	112.6	E198 Y199 F200 A205 N206	E198-K202 WeakPolarHBondContact O-CB 3.41Å; E198-K202 WeakPolarHBondContact O-CG 3.27Å; E198-K202 PolarHBondContact O-N 3.28Å; Y199-K202 PolarHBondContact O-N 3.06Å; F200-K202 VanDerWaalsContact C-N 3.33Å; F200-K202 PolarHBondContact O-N 3.45Å; K202-A205 PolarHBondContact O-N 3.48Å; K202-N206 WeakPolarHBondContact O-CB 3.3Å; K202-N206 PolarHBondContact O-N 3.02Å; K202-N206 PolarHBondContact O-ND2 2.83Å; K202-N206 PolarHBondContact O-OD1 3.17Å
203	L	48.7	Very low	47	Very low	72 Å²	72	130.2 Å²	130.2	38%	0.377	62%	0.621	S	S	.	*	H	α-helix	trans	-65.6	-41.6	170.8	-95.7	148.5	0	0	0	111.7	Y199 F200 A205 N206 V207	Y199-L203 HydrophobicContact CD1-CD1 3.67Å; Y199-L203 HydrophobicContact CD2-CD1 4.37Å; Y199-L203 HydrophobicContact CE1-CD1 3.2Å; Y199-L203 HydrophobicContact CE2-CD1 3.96Å; Y199-L203 HydrophobicContact CG-CD1 4.24Å; Y199-L203 PolarHBondContact O-N 3.46Å; F200-L203 HydrophobicContact CD1-CD1 4.48Å; F200-L203 PolarHBondContact O-N 2.61Å; L203-A205 VanDerWaalsContact C-N 3.3Å; L203-A205 PolarHBondContact O-N 3.43Å; L203-N206 PolarHBondContact O-N 2.94Å; L203-V207 WeakPolarHBondContact O-CG2 3.26Å; L203-V207 PolarHBondContact O-N 3.44Å
204	E	46.8	Very low	46	Very low	144 Å²	144	133 Å²	133	67%	0.673	64%	0.64	S	S	*	*	H	α-helix	trans	-66.2	-31	174.1	-75.4	177.4	165.6	0	0	113	F200	F200-E204 PolarHBondContact O-N 2.93Å
205	A	50.5	Low	44.8	Very low	52 Å²	52	135.8 Å²	135.8	43%	0.43	66%	0.655	S	S	.	*	H	α-helix	trans	-76.2	-41.4	173.2	0	0	0	0	0	112.6	K201 K202 L203 V207 K208	K201-A205 WeakPolarHBondContact O-CB 3.21Å; K201-A205 PolarHBondContact O-N 3.33Å; K201-A205 VanDerWaalsContact O-N 3.07Å; K202-A205 PolarHBondContact O-N 3.48Å; L203-A205 VanDerWaalsContact C-N 3.3Å; L203-A205 PolarHBondContact O-N 3.43Å; A205-V207 PolarHBondContact O-N 3.04Å; A205-K208 WeakPolarHBondContact O-CB 3.26Å; A205-K208 PolarHBondContact O-N 3.07Å; A205-K208 VanDerWaalsContact O-N 3.15Å
206	N	46.1	Very low	43.5	Very low	96 Å²	96	136.9 Å²	136.9	51%	0.513	67%	0.667	S	S	.	*	H	α-helix	trans	-80	-13.4	-176.4	-68.8	-10.4	0	0	0	113.9	K202 L203 K208	K202-N206 WeakPolarHBondContact O-CB 3.3Å; K202-N206 PolarHBondContact O-N 3.02Å; K202-N206 PolarHBondContact O-ND2 2.83Å; K202-N206 PolarHBondContact O-OD1 3.17Å; L203-N206 PolarHBondContact O-N 2.94Å; N206-K208 PolarHBondContact O-N 3.12Å
207	V	45	Very low	42.7	Very low	122 Å²	122	137.1 Å²	137.1	74%	0.739	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-12.9	166.8	170.6	0	0	0	0	111.5	L203 A205	L203-V207 WeakPolarHBondContact O-CG2 3.26Å; L203-V207 PolarHBondContact O-N 3.44Å; A205-V207 PolarHBondContact O-N 3.04Å
208	K	43.8	Very low	41.6	Very low	183 Å²	183	134 Å²	134	80%	0.796	68%	0.684	S	S	*	*	S	Bend	trans	-95.8	-9.7	176.1	-68.8	-175.2	176.2	-179.3	0	114.7	A205 N206	A205-K208 WeakPolarHBondContact O-CB 3.26Å; A205-K208 PolarHBondContact O-N 3.07Å; A205-K208 VanDerWaalsContact O-N 3.15Å; N206-K208 PolarHBondContact O-N 3.12Å
209	E	43.5	Very low	40.6	Very low	152 Å²	152	138.8 Å²	138.8	71%	0.71	71%	0.707	S	S	*	*			trans	-136.6	75.5	-174.3	-71.9	-177.5	168.6	0	0	111
210	F	35.7	Very low	39.9	Very low	204 Å²	204	139 Å²	139	90%	0.895	72%	0.722	S	S	*	*			trans	-140.6	73.8	159.6	-114	-84.9	0	0	0	109.4
211	D	33.5	Very low	39.4	Very low	170 Å²	170	137.6 Å²	137.6	91%	0.909	73%	0.734	S	S	*	*			trans	-127.6	131.8	150.2	-165.5	13.1	0	0	0	107.2
212	G	33	Very low	38.2	Very low	60 Å²	60	138.2 Å²	138.2	62%	0.619	74%	0.743	S	S	*	*			trans	96.5	96.5	167.3	0	0	0	0	0	119.8
213	K	31.3	Very low	37.7	Very low	201 Å²	201	137.4 Å²	137.4	87%	0.874	75%	0.752	S	S	*	*			trans	54.8	119.7	131.5	-65.1	-177.9	-179.8	176	0	122.6
214	S	31.7	Very low	37.3	Very low	103 Å²	103	143.5 Å²	143.5	72%	0.72	78%	0.779	S	S	*	*				83.6	137.6	122.1	77.1	0	0	0	0	122.4
215	Q	30.4	Very low	37.2	Very low	187 Å²	187	146 Å²	146	87%	0.874	79%	0.787	S	S	*	*			trans	102.3	116	151.3	-60.8	-172	-5.7	0	0	120.6
216	Q	28.2	Very low	37.1	Very low	181 Å²	181	155.5 Å²	155.5	85%	0.846	81%	0.812	S	S	*	*			trans	33.6	138.6	152.7	-64.9	-166.6	-8.1	0	0	123.5
217	P	32.1	Very low	37.4	Very low	127 Å²	127	157.4 Å²	157.4	83%	0.825	82%	0.821	S	S	*	*			trans	-96.9	130.5	173.9	36	-27.1	0	0	0	112.7
218	S	31.2	Very low	38.2	Very low	109 Å²	109	153.6 Å²	153.6	76%	0.762	80%	0.796	S	S	*	*			trans	-132.4	120.5	161.1	-66.2	0	0	0	0	110.3
219	Q	38.3	Very low	39.2	Very low	195 Å²	195	147.3 Å²	147.3	91%	0.911	78%	0.783	S	S	*	*			trans	66.9	95.3	156.6	-62.6	179.2	-8.5	0	0	118.2
220	V	35.2	Very low	40.3	Very low	147 Å²	147	141.4 Å²	141.4	89%	0.891	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-103	118.6	158.1	176.4	0	0	0	0	108.8
221	A	33.3	Very low	41.6	Very low	94 Å²	94	134.2 Å²	134.2	78%	0.777	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-69.8	145.6	169.2	0	0	0	0	0	111.4
222	L	31.2	Very low	43.3	Very low	168 Å²	168	133 Å²	133	88%	0.88	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-60	149.1	-171.3	-72.3	147.3	0	0	0	114.8
223	P	42.2	Very low	45.4	Very low	118 Å²	118	133.2 Å²	133.2	77%	0.766	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-85.3	139.5	176.4	31.2	-27	0	0	0	112.9
224	E	40.5	Very low	47.8	Very low	201 Å²	201	126.7 Å²	126.7	94%	0.939	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-65.8	132.7	177.5	-75.6	-179.2	148	0	0	113.1
225	K	44.5	Very low	49.8	Very low	195 Å²	195	126.7 Å²	126.7	85%	0.848	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-69.1	132	-173	-96.7	172.8	169.4	174.6	0	113.7	I227	K225-I227 PolarHBondContact O-N 3.32Å
226	R	48.4	Very low	52.1	Low	253 Å²	253	123.9 Å²	123.9	96%	0.955	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-61.3	126.3	155.2	-83.9	-177.7	177.7	-179.4	-0.5	109.3
227	I	52.4	Low	54.6	Low	136 Å²	136	119 Å²	119	70%	0.697	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-88.7	123.6	-175.9	-55.8	171.2	0	0	0	109.6	K225 E232	K225-I227 PolarHBondContact O-N 3.32Å; I227-E232 HydrophobicContact CG2-CG 4.34Å; I227-E232 WeakPolarHBondContact CG2-OE1 3.29Å
228	D	61.3	Low	56.9	Low	41 Å²	41	113 Å²	113	22%	0.219	60%	0.604	C	S	.	*			trans	-84.2	115.2	176	178.1	-5.8	0	0	0	109.2	I230 A231 S257 W260	D228-I230 PolarHBondContact O-N 3.45Å; D228-I230 PolarHBondContact OD1-N 3.34Å; D228-I230 VanDerWaalsContact OD1-N 3.14Å; D228-A231 HydrophobicContact CB-CB 4Å; D228-A231 WeakPolarHBondContact O-CA 3.42Å; D228-A231 WeakPolarHBondContact O-CB 3.22Å; D228-A231 PolarHBondContact O-N 2.97Å; D228-S257 PolarHBondContact OD2-OG 3.06Å; D228-W260 PolarHBondContact OD1-NE1 3.47Å; D228-W260 VanDerWaalsContact OD1-NE1 3.08Å; D228-W260 PolarHBondContact OD2-NE1 2.92Å
229	G	64.3	Low	59.3	Low	52 Å²	52	108.8 Å²	108.8	54%	0.536	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.6	-19.3	-176	0	0	0	0	0	114.8
230	I	67.6	Low	61.2	Low	27 Å²	27	104.4 Å²	104.4	14%	0.138	55%	0.55	C	S	.	*	T	Hydrogen-bonded Turn	trans	-77.7	-25.8	171.2	-63.8	-152.3	0	0	0	111.2	D228 E232 L233 F242 W260 I263	D228-I230 PolarHBondContact O-N 3.45Å; D228-I230 PolarHBondContact OD1-N 3.34Å; D228-I230 VanDerWaalsContact OD1-N 3.14Å; I230-E232 PolarHBondContact O-N 2.86Å; I230-L233 PolarHBondContact O-N 3.04Å; I230-F242 HydrophobicContact CD1-CE2 3.81Å; I230-F242 HydrophobicContact CD1-CZ 4.2Å; I230-F242 HydrophobicContact CG2-CE2 4.17Å; I230-W260 HydrophobicContact CB-CZ2 4.38Å; I230-W260 HydrophobicContact CD1-CD2 4.25Å; I230-W260 VanDerWaalsContact CD1-CE2 3.44Å; I230-W260 HydrophobicContact CD1-CH2 3.68Å; I230-W260 HydrophobicContact CD1-CZ2 3.14Å; I230-W260 HydrophobicContact CD1-CZ3 4.44Å; I230-W260 HydrophobicContact CG1-CZ2 3.62Å; I230-I263 HydrophobicContact CG2-CD1 3.65Å
231	A	62.7	Low	63.5	Low	53 Å²	53	101.1 Å²	101.1	44%	0.438	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-20.5	176.6	0	0	0	0	0	113	D228 T259	D228-A231 HydrophobicContact CB-CB 4Å; D228-A231 WeakPolarHBondContact O-CA 3.42Å; D228-A231 WeakPolarHBondContact O-CB 3.22Å; D228-A231 PolarHBondContact O-N 2.97Å; A231-T259 HydrophobicContact CB-CG2 3.8Å
232	E	69.9	Low	65.8	Low	144 Å²	144	96.7 Å²	96.7	67%	0.673	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-17.4	175.7	-65.9	-173.4	165.6	0	0	113.1	I227 I230	I227-E232 HydrophobicContact CG2-CG 4.34Å; I227-E232 WeakPolarHBondContact CG2-OE1 3.29Å; I230-E232 PolarHBondContact O-N 2.86Å
233	L	77.1	Confident	68.2	Low	65 Å²	65	93.2 Å²	93.2	34%	0.34	47%	0.47	S	S	.	.	S	Bend	trans	-76.4	139.3	179.4	-69.3	172.9	0	0	0	110.6	I230 H235 S238 I241	I230-L233 PolarHBondContact O-N 3.04Å; L233-H235 PolarHBondContact O-N 3.19Å; L233-S238 WeakPolarHBondContact CB-OG 3.41Å; L233-I241 HydrophobicContact CD1-CD1 3.66Å
234	P	80.8	Confident	70	Confident	65 Å²	65	96.2 Å²	96.2	42%	0.422	47%	0.467	S	S	.	.			trans	-50.2	135.8	167.2	-26.3	32.4	0	0	0	111.2	H236 L237 S238	P234-H236 WeakPolarHBondContact CB-CE1 3.39Å; P234-H236 PolarHBondContact O-N 3.12Å; P234-L237 HydrophobicContact CB-CG 4.44Å; P234-L237 HydrophobicContact CG-CD1 4.22Å; P234-L237 PolarHBondContact O-N 3.36Å; P234-S238 PolarHBondContact O-N 3.33Å
235	H	74.9	Confident	71.8	Confident	102 Å²	102	89.4 Å²	89.4	47%	0.472	44%	0.437	S	S	.	.	H	α-helix	trans	-51.5	-36.4	-173.4	-173.7	52.5	0	0	0	113.6	L233 L237 S238 L239	L233-H235 PolarHBondContact O-N 3.19Å; H235-L237 PolarHBondContact O-N 2.92Å; H235-S238 PolarHBondContact O-N 3.21Å; H235-L239 WeakPolarHBondContact O-CB 3.18Å; H235-L239 VanDerWaalsContact O-CG 3.3Å; H235-L239 WeakPolarHBondContact O-CG 3.48Å; H235-L239 PolarHBondContact O-N 3.25Å
236	H	78.5	Confident	73.2	Confident	128 Å²	128	81.9 Å²	81.9	59%	0.593	41%	0.414	S	S	*	.	H	α-helix	trans	-66.9	-33.7	177.3	66.9	-96.9	0	0	0	113.7	P234 K240	P234-H236 WeakPolarHBondContact CB-CE1 3.39Å; P234-H236 PolarHBondContact O-N 3.12Å; H236-K240 WeakPolarHBondContact O-CB 3.4Å; H236-K240 PolarHBondContact O-N 3.25Å
237	L	79.3	Confident	74.7	Confident	78 Å²	78	70.8 Å²	70.8	41%	0.408	37%	0.374	S	S	.	.	H	α-helix	trans	-73	-41.1	175.4	-65.8	-175.1	0	0	0	110.5	P234 H235 K240 I241	P234-L237 HydrophobicContact CB-CG 4.44Å; P234-L237 HydrophobicContact CG-CD1 4.22Å; P234-L237 PolarHBondContact O-N 3.36Å; H235-L237 PolarHBondContact O-N 2.92Å; L237-K240 PolarHBondContact O-N 2.95Å; L237-K240 VanDerWaalsContact O-N 3.15Å; L237-I241 VanDerWaalsContact O-CG1 3.3Å; L237-I241 WeakPolarHBondContact O-CG1 3.47Å; L237-I241 PolarHBondContact O-N 3.17Å
238	S	82	Confident	75.9	Confident	2 Å²	2	70.9 Å²	70.9	1%	0.014	37%	0.366	C	S	.	.	H	α-helix	trans	-61.5	-46	174.5	-50.5	0	0	0	0	110.8	L233 P234 H235 K240 I241 F242	L233-S238 WeakPolarHBondContact CB-OG 3.41Å; P234-S238 PolarHBondContact O-N 3.33Å; H235-S238 PolarHBondContact O-N 3.21Å; S238-K240 VanDerWaalsContact C-N 3.3Å; S238-K240 PolarHBondContact O-N 3.46Å; S238-I241 PolarHBondContact O-N 3.25Å; S238-F242 WeakPolarHBondContact O-CD2 3.4Å; S238-F242 PolarHBondContact O-N 3.3Å
239	L	80.3	Confident	76.8	Confident	20 Å²	20	72.6 Å²	72.6	11%	0.105	38%	0.375	C	S	.	.	H	α-helix	trans	-58.2	-42.5	172.8	-72.3	173.4	0	0	0	111.9	H235 I241 F242 Q243 I263 L269	H235-L239 WeakPolarHBondContact O-CB 3.18Å; H235-L239 VanDerWaalsContact O-CG 3.3Å; H235-L239 WeakPolarHBondContact O-CG 3.48Å; H235-L239 PolarHBondContact O-N 3.25Å; L239-I241 VanDerWaalsContact C-N 3.33Å; L239-I241 PolarHBondContact O-N 2.95Å; L239-F242 PolarHBondContact O-N 3.47Å; L239-Q243 WeakPolarHBondContact O-CG 3.44Å; L239-Q243 PolarHBondContact O-N 2.9Å; L239-I263 HydrophobicContact CD2-CG2 4.04Å; L239-L269 HydrophobicContact CD2-CD1 3.93Å; L239-L269 HydrophobicContact CD2-CD2 4.36Å; L239-L269 HydrophobicContact CD2-CG 3.91Å
240	K	79.6	Confident	77.6	Confident	103 Å²	103	71.2 Å²	71.2	45%	0.448	35%	0.353	S	S	.	.	H	α-helix	trans	-64.2	-37.3	179.5	-168.2	59.1	175.1	178.3	0	112.6	H236 L237 S238 Y244	H236-K240 WeakPolarHBondContact O-CB 3.4Å; H236-K240 PolarHBondContact O-N 3.25Å; L237-K240 PolarHBondContact O-N 2.95Å; L237-K240 VanDerWaalsContact O-N 3.15Å; S238-K240 VanDerWaalsContact C-N 3.3Å; S238-K240 PolarHBondContact O-N 3.46Å; K240-Y244 HydrophobicContact CD-CE2 4.47Å; K240-Y244 HydrophobicContact CG-CE2 4.31Å; K240-Y244 WeakPolarHBondContact O-CD2 3.47Å; K240-Y244 VanDerWaalsContact O-CE2 3.32Å; K240-Y244 WeakPolarHBondContact O-CE2 3.07Å
241	I	82.8	Confident	78.2	Confident	79 Å²	79	72.4 Å²	72.4	41%	0.405	36%	0.36	S	S	.	.	H	α-helix	trans	-63.6	-49.1	174.5	-69.3	163.4	0	0	0	110	L233 L237 S238 L239 Q243 Y244	L233-I241 HydrophobicContact CD1-CD1 3.66Å; L237-I241 VanDerWaalsContact O-CG1 3.3Å; L237-I241 WeakPolarHBondContact O-CG1 3.47Å; L237-I241 PolarHBondContact O-N 3.17Å; S238-I241 PolarHBondContact O-N 3.25Å; L239-I241 VanDerWaalsContact C-N 3.33Å; L239-I241 PolarHBondContact O-N 2.95Å; I241-Q243 VanDerWaalsContact C-N 3.28Å; I241-Q243 PolarHBondContact O-N 2.85Å; I241-Y244 PolarHBondContact O-N 3.08Å; I241-Y244 VanDerWaalsContact O-N 3.16Å
242	F	82.5	Confident	79	Confident	1 Å²	1	73.7 Å²	73.7	0%	0.004	36%	0.359	C	S	.	.	H	α-helix	trans	-69	-26	-176.9	-78.2	-115.4	0	0	0	112.4	I230 S238 L239 Y244 L245 W250 C253 W260 I263 I264 L269	I230-F242 HydrophobicContact CD1-CE2 3.81Å; I230-F242 HydrophobicContact CD1-CZ 4.2Å; I230-F242 HydrophobicContact CG2-CE2 4.17Å; S238-F242 WeakPolarHBondContact O-CD2 3.4Å; S238-F242 PolarHBondContact O-N 3.3Å; L239-F242 PolarHBondContact O-N 3.47Å; F242-Y244 PolarHBondContact O-N 3.5Å; F242-Y244 VanDerWaalsContact O-N 3.15Å; F242-L245 HydrophobicContact CD1-CD1 4.06Å; F242-L245 HydrophobicContact CG-CD1 4.24Å; F242-L245 WeakPolarHBondContact O-CB 3.49Å; F242-L245 PolarHBondContact O-N 2.54Å; F242-W250 PolarHBondContact O-NE1 3.29Å; F242-C253 HydrophobicContact CD1-CB 4.47Å; F242-C253 HydrophobicContact CE1-CB 3.79Å; F242-W260 HydrophobicContact CE1-CD2 4.47Å; F242-W260 AromaticContact CE1-CE3 4Å; F242-W260 HydrophobicContact CE1-CE3 4Å; F242-W260 HydrophobicContact CZ-CB 4.33Å; F242-W260 AromaticContact CZ-CD2 3.76Å; F242-W260 HydrophobicContact CZ-CD2 3.76Å; F242-W260 AromaticContact CZ-CE3 3.6Å; F242-W260 HydrophobicContact CZ-CE3 3.6Å; F242-W260 HydrophobicContact CZ-CG 4.08Å; F242-W260 HydrophobicContact CZ-CZ3 4.12Å; F242-I263 HydrophobicContact CD2-CG2 4.27Å; F242-I263 HydrophobicContact CE2-CG2 4.4Å; F242-I263 HydrophobicContact CG-CG2 4.35Å; F242-I264 HydrophobicContact CD1-CD1 3.97Å; F242-I264 HydrophobicContact CD1-CG1 3.62Å; F242-I264 HydrophobicContact CE1-CD1 3.61Å; F242-I264 HydrophobicContact CE1-CG1 3.7Å; F242-L269 HydrophobicContact CB-CD1 4.1Å; F242-L269 HydrophobicContact CB-CD2 4.18Å
243	Q	80.5	Confident	79.6	Confident	94 Å²	94	67.7 Å²	67.7	44%	0.439	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.9	172.5	-80	177.4	-5.4	0	0	114.1	L239 I241 L245 L269	L239-Q243 WeakPolarHBondContact O-CG 3.44Å; L239-Q243 PolarHBondContact O-N 2.9Å; I241-Q243 VanDerWaalsContact C-N 3.28Å; I241-Q243 PolarHBondContact O-N 2.85Å; Q243-L245 VanDerWaalsContact C-N 3.33Å; Q243-L269 HydrophobicContact CG-CD2 3.66Å
244	Y	79.5	Confident	79.7	Confident	181 Å²	181	65.8 Å²	65.8	71%	0.71	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-6.7	175.4	-68.4	-78.3	0	0	0	113.4	K240 I241 F242	K240-Y244 HydrophobicContact CD-CE2 4.47Å; K240-Y244 HydrophobicContact CG-CE2 4.31Å; K240-Y244 WeakPolarHBondContact O-CD2 3.47Å; K240-Y244 VanDerWaalsContact O-CE2 3.32Å; K240-Y244 WeakPolarHBondContact O-CE2 3.07Å; I241-Y244 PolarHBondContact O-N 3.08Å; I241-Y244 VanDerWaalsContact O-N 3.16Å; F242-Y244 PolarHBondContact O-N 3.5Å; F242-Y244 VanDerWaalsContact O-N 3.15Å
245	L	78.9	Confident	79.6	Confident	58 Å²	58	70.5 Å²	70.5	30%	0.304	34%	0.342	S	S	.	.	S	Bend	trans	-91.4	150.4	-179.8	-59	178.8	0	0	0	111	F242 Q243 D249 W250	F242-L245 HydrophobicContact CD1-CD1 4.06Å; F242-L245 HydrophobicContact CG-CD1 4.24Å; F242-L245 WeakPolarHBondContact O-CB 3.49Å; F242-L245 PolarHBondContact O-N 2.54Å; Q243-L245 VanDerWaalsContact C-N 3.33Å; L245-D249 HydrophobicContact CB-CB 3.91Å; L245-W250 PolarHBondContact O-NE1 3.18Å; L245-W250 VanDerWaalsContact O-NE1 3.15Å
246	G	73.1	Confident	79.9	Confident	37 Å²	37	69.9 Å²	69.9	38%	0.381	35%	0.345	S	S	.	.			trans	-79.1	167.5	176	0	0	0	0	0	113.1	R248 D249 W250	G246-R248 VanDerWaalsContact C-N 3.26Å; G246-R248 PolarHBondContact O-N 3.33Å; G246-D249 PolarHBondContact N-OD2 2.93Å; G246-D249 WeakPolarHBondContact O-CA 3.4Å; G246-D249 WeakPolarHBondContact O-CB 3.44Å; G246-D249 PolarHBondContact O-N 3.31Å; G246-W250 PolarHBondContact O-N 3.42Å
247	L	79.9	Confident	79.9	Confident	21 Å²	21	65.3 Å²	65.3	11%	0.11	33%	0.327	C	S	.	.	H	α-helix	trans	-52.8	-42	179.5	-180	64.8	0	0	0	112.9	W250 L251 W270 I273 F275 W281 I290	L247-W250 HydrophobicContact CD1-CE3 3.93Å; L247-W250 HydrophobicContact CD1-CZ3 4.27Å; L247-W250 PolarHBondContact O-N 3.19Å; L247-L251 WeakPolarHBondContact O-CG 3.39Å; L247-L251 PolarHBondContact O-N 3.18Å; L247-W270 HydrophobicContact CD1-CE3 4.47Å; L247-W270 HydrophobicContact CD1-CH2 4Å; L247-W270 HydrophobicContact CD1-CZ3 3.57Å; L247-I273 HydrophobicContact CD2-CG2 4.47Å; L247-F275 HydrophobicContact CD2-CD1 3.58Å; L247-F275 HydrophobicContact CD2-CE1 3.63Å; L247-W281 HydrophobicContact CD2-CH2 4.37Å; L247-W281 HydrophobicContact CD2-CZ2 4.45Å; L247-W281 HydrophobicContact CG-CH2 4.47Å; L247-I290 HydrophobicContact CD1-CD1 4.42Å
248	R	78	Confident	79.8	Confident	138 Å²	138	68.3 Å²	68.3	52%	0.521	34%	0.344	S	S	.	.	H	α-helix	trans	-66.7	-39	177.9	-171.4	174.6	-175	168.6	3.8	111.9	G246 L251 N252 W281	G246-R248 VanDerWaalsContact C-N 3.26Å; G246-R248 PolarHBondContact O-N 3.33Å; R248-L251 PolarHBondContact O-N 3.34Å; R248-N252 VanDerWaalsContact O-CG 3.32Å; R248-N252 PolarHBondContact O-N 3.19Å; R248-N252 PolarHBondContact O-ND2 3.21Å; R248-W281 HydrophobicContact CB-CZ2 3.93Å; R248-W281 HydrophobicContact CG-CZ2 4.38Å
249	D	80.6	Confident	79.6	Confident	76 Å²	76	70.9 Å²	70.9	41%	0.406	36%	0.359	S	S	.	.	H	α-helix	trans	-69.3	-36	178.8	-62.6	-39	0	0	0	111.3	L245 G246 L251 N252 C253	L245-D249 HydrophobicContact CB-CB 3.91Å; G246-D249 PolarHBondContact N-OD2 2.93Å; G246-D249 WeakPolarHBondContact O-CA 3.4Å; G246-D249 WeakPolarHBondContact O-CB 3.44Å; G246-D249 PolarHBondContact O-N 3.31Å; D249-L251 VanDerWaalsContact C-N 3.32Å; D249-L251 PolarHBondContact O-N 3.45Å; D249-N252 PolarHBondContact O-N 2.62Å; D249-C253 WeakPolarHBondContact O-CB 3.4Å; D249-C253 PolarHBondContact O-N 3.13Å; D249-C253 PolarHBondContact O-SG 2.94Å
250	W	81.3	Confident	79.7	Confident	23 Å²	23	72.3 Å²	72.3	9%	0.087	36%	0.363	C	S	.	.	H	α-helix	trans	-57.8	-45.4	170.5	-64.4	-17.9	0	0	0	111.6	F242 L245 G246 L247 C253 S254 I264 L269	F242-W250 PolarHBondContact O-NE1 3.29Å; L245-W250 PolarHBondContact O-NE1 3.18Å; L245-W250 VanDerWaalsContact O-NE1 3.15Å; G246-W250 PolarHBondContact O-N 3.42Å; L247-W250 HydrophobicContact CD1-CE3 3.93Å; L247-W250 HydrophobicContact CD1-CZ3 4.27Å; L247-W250 PolarHBondContact O-N 3.19Å; W250-C253 PolarHBondContact O-N 2.8Å; W250-S254 PolarHBondContact O-N 3.35Å; W250-I264 HydrophobicContact CB-CG2 4.3Å; W250-I264 WeakPolarHBondContact O-CD1 3.18Å; W250-L269 VanDerWaalsContact CH2-O 3.23Å; W250-L269 WeakPolarHBondContact CH2-O 3.16Å; W250-L269 WeakPolarHBondContact CZ3-O 3.38Å
251	L	79.3	Confident	79.7	Confident	52 Å²	52	72 Å²	72	27%	0.272	36%	0.362	S	S	.	.	H	α-helix	trans	-62.1	-47.7	178	-64.3	176.7	0	0	0	111.2	L247 R248 D249 C253 S254 W270 W281	L247-L251 WeakPolarHBondContact O-CG 3.39Å; L247-L251 PolarHBondContact O-N 3.18Å; R248-L251 PolarHBondContact O-N 3.34Å; D249-L251 VanDerWaalsContact C-N 3.32Å; D249-L251 PolarHBondContact O-N 3.45Å; L251-C253 PolarHBondContact O-N 3.34Å; L251-S254 WeakPolarHBondContact O-CB 3.48Å; L251-S254 PolarHBondContact O-N 3.26Å; L251-S254 PolarHBondContact O-OG 3.14Å; L251-W270 HydrophobicContact CD2-CH2 4.2Å; L251-W281 HydrophobicContact CD1-CH2 3.71Å; L251-W281 HydrophobicContact CD1-CZ3 3.95Å
252	N	79.5	Confident	79.6	Confident	81 Å²	81	72.2 Å²	72.2	43%	0.433	37%	0.37	S	S	.	.	H	α-helix	trans	-61.2	-44	177.3	-65	-24.4	0	0	0	112	R248 D249 S254 E255	R248-N252 VanDerWaalsContact O-CG 3.32Å; R248-N252 PolarHBondContact O-N 3.19Å; R248-N252 PolarHBondContact O-ND2 3.21Å; D249-N252 PolarHBondContact O-N 2.62Å; N252-S254 PolarHBondContact O-N 3.13Å; N252-E255 WeakPolarHBondContact O-CB 3.37Å; N252-E255 PolarHBondContact O-N 3.27Å; N252-E255 VanDerWaalsContact O-N 3.09Å
253	C	82.5	Confident	79.5	Confident	18 Å²	18	72.5 Å²	72.5	12%	0.122	37%	0.372	C	S	.	.	H	α-helix	trans	-64.1	-27.7	179	-74.4	0	0	0	0	112.1	F242 D249 W250 L251 E255 V256 W260 I264	F242-C253 HydrophobicContact CD1-CB 4.47Å; F242-C253 HydrophobicContact CE1-CB 3.79Å; D249-C253 WeakPolarHBondContact O-CB 3.4Å; D249-C253 PolarHBondContact O-N 3.13Å; D249-C253 PolarHBondContact O-SG 2.94Å; W250-C253 PolarHBondContact O-N 2.8Å; L251-C253 PolarHBondContact O-N 3.34Å; C253-E255 PolarHBondContact O-N 3.3Å; C253-V256 WeakPolarHBondContact O-CB 3.48Å; C253-V256 PolarHBondContact O-N 3.33Å; C253-W260 HydrophobicContact CB-CE3 3.75Å; C253-W260 HydrophobicContact CB-CZ3 4.09Å; C253-W260 WeakPolarHBondContact O-CB 3.49Å; C253-I264 VanDerWaalsContact C-CD1 3.43Å; C253-I264 HydrophobicContact CB-CD1 3.49Å; C253-I264 VanDerWaalsContact CB-CD1 3.49Å
254	S	80.6	Confident	79.6	Confident	25 Å²	25	68.1 Å²	68.1	18%	0.175	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-16.8	176.7	81.3	0	0	0	0	113.2	W250 L251 N252 K261	W250-S254 PolarHBondContact O-N 3.35Å; L251-S254 WeakPolarHBondContact O-CB 3.48Å; L251-S254 PolarHBondContact O-N 3.26Å; L251-S254 PolarHBondContact O-OG 3.14Å; N252-S254 PolarHBondContact O-N 3.13Å; S254-K261 WeakPolarHBondContact O-CB 3.32Å
255	E	79	Confident	79.4	Confident	164 Å²	164	63.6 Å²	63.6	77%	0.766	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-8	178.7	-57.5	-173.2	162.4	0	0	112.7	N252 C253	N252-E255 WeakPolarHBondContact O-CB 3.37Å; N252-E255 PolarHBondContact O-N 3.27Å; N252-E255 VanDerWaalsContact O-N 3.09Å; C253-E255 PolarHBondContact O-N 3.3Å
256	V	80.2	Confident	79.3	Confident	89 Å²	89	62 Å²	62	54%	0.539	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-49.5	-174.5	176.5	0	0	0	0	112.5	C253 W260	C253-V256 WeakPolarHBondContact O-CB 3.48Å; C253-V256 PolarHBondContact O-N 3.33Å; V256-W260 HydrophobicContact CB-CD2 4.06Å; V256-W260 HydrophobicContact CB-CE3 3.87Å; V256-W260 HydrophobicContact CB-CG 4.42Å; V256-W260 HydrophobicContact CB-CZ3 4.42Å; V256-W260 HydrophobicContact CG1-CD2 3.99Å; V256-W260 HydrophobicContact CG1-CE3 4.07Å; V256-W260 HydrophobicContact CG1-CG 4.49Å; V256-W260 HydrophobicContact CG1-CZ2 4.39Å; V256-W260 HydrophobicContact CG1-CZ3 4.36Å; V256-W260 HydrophobicContact CG2-CE3 4Å; V256-W260 HydrophobicContact CG2-CZ3 4.18Å
257	S	78.6	Confident	79.1	Confident	32 Å²	32	60.7 Å²	60.7	22%	0.224	32%	0.317	C	S	.	.			trans	-155.3	160.2	179.3	90.1	0	0	0	0	111.5	D228 T259 W260 K261	D228-S257 PolarHBondContact OD2-OG 3.06Å; S257-T259 PolarHBondContact O-N 2.78Å; S257-T259 PolarHBondContact OG-N 3Å; S257-W260 PolarHBondContact O-N 3.12Å; S257-W260 PolarHBondContact OG-N 3.49Å; S257-W260 VanDerWaalsContact OG-N 3.15Å; S257-K261 WeakPolarHBondContact O-CB 3.18Å; S257-K261 PolarHBondContact O-N 2.88Å
258	N	76.5	Confident	78.9	Confident	140 Å²	140	63.2 Å²	63.2	75%	0.749	33%	0.333	S	S	*	.	H	α-helix	trans	-60.9	-30.5	174.2	-75	-29.2	0	0	0	112.3	S262	N258-S262 WeakPolarHBondContact O-CB 3.49Å; N258-S262 PolarHBondContact O-N 3.33Å
259	T	78.8	Confident	79	Confident	56 Å²	56	57 Å²	57	34%	0.344	31%	0.31	S	S	.	.	H	α-helix	trans	-68.2	-48.2	176.2	-42.6	0	0	0	0	110.8	A231 S257 K261 S262 I263	A231-T259 HydrophobicContact CB-CG2 3.8Å; S257-T259 PolarHBondContact O-N 2.78Å; S257-T259 PolarHBondContact OG-N 3Å; T259-K261 VanDerWaalsContact C-N 3.33Å; T259-K261 PolarHBondContact O-N 3.44Å; T259-S262 WeakPolarHBondContact O-CB 3.43Å; T259-S262 PolarHBondContact O-N 2.82Å; T259-S262 VanDerWaalsContact O-N 3.16Å; T259-I263 HydrophobicContact CG2-CD1 4.19Å; T259-I263 VanDerWaalsContact O-CG1 3.32Å; T259-I263 WeakPolarHBondContact O-CG1 3.41Å; T259-I263 PolarHBondContact O-N 2.93Å
260	W	82.6	Confident	79.3	Confident	51 Å²	51	53.4 Å²	53.4	19%	0.193	29%	0.291	C	S	.	.	H	α-helix	trans	-64.6	-41.8	178.3	-71.6	40.6	0	0	0	110.9	D228 I230 F242 C253 V256 S257 S262 I263 I264	D228-W260 PolarHBondContact OD1-NE1 3.47Å; D228-W260 VanDerWaalsContact OD1-NE1 3.08Å; D228-W260 PolarHBondContact OD2-NE1 2.92Å; I230-W260 HydrophobicContact CB-CZ2 4.38Å; I230-W260 HydrophobicContact CD1-CD2 4.25Å; I230-W260 VanDerWaalsContact CD1-CE2 3.44Å; I230-W260 HydrophobicContact CD1-CH2 3.68Å; I230-W260 HydrophobicContact CD1-CZ2 3.14Å; I230-W260 HydrophobicContact CD1-CZ3 4.44Å; I230-W260 HydrophobicContact CG1-CZ2 3.62Å; F242-W260 HydrophobicContact CE1-CD2 4.47Å; F242-W260 AromaticContact CE1-CE3 4Å; F242-W260 HydrophobicContact CE1-CE3 4Å; F242-W260 HydrophobicContact CZ-CB 4.33Å; F242-W260 AromaticContact CZ-CD2 3.76Å; F242-W260 HydrophobicContact CZ-CD2 3.76Å; F242-W260 AromaticContact CZ-CE3 3.6Å; F242-W260 HydrophobicContact CZ-CE3 3.6Å; F242-W260 HydrophobicContact CZ-CG 4.08Å; F242-W260 HydrophobicContact CZ-CZ3 4.12Å; C253-W260 HydrophobicContact CB-CE3 3.75Å; C253-W260 HydrophobicContact CB-CZ3 4.09Å; C253-W260 WeakPolarHBondContact O-CB 3.49Å; V256-W260 HydrophobicContact CB-CD2 4.06Å; V256-W260 HydrophobicContact CB-CE3 3.87Å; V256-W260 HydrophobicContact CB-CG 4.42Å; V256-W260 HydrophobicContact CB-CZ3 4.42Å; V256-W260 HydrophobicContact CG1-CD2 3.99Å; V256-W260 HydrophobicContact CG1-CE3 4.07Å; V256-W260 HydrophobicContact CG1-CG 4.49Å; V256-W260 HydrophobicContact CG1-CZ2 4.39Å; V256-W260 HydrophobicContact CG1-CZ3 4.36Å; V256-W260 HydrophobicContact CG2-CE3 4Å; V256-W260 HydrophobicContact CG2-CZ3 4.18Å; S257-W260 PolarHBondContact O-N 3.12Å; S257-W260 PolarHBondContact OG-N 3.49Å; S257-W260 VanDerWaalsContact OG-N 3.15Å; W260-S262 VanDerWaalsContact C-N 3.34Å; W260-S262 PolarHBondContact O-N 3.06Å; W260-I263 PolarHBondContact O-N 3.23Å; W260-I264 WeakPolarHBondContact O-CD1 3.33Å; W260-I264 WeakPolarHBondContact O-CG1 3.19Å; W260-I264 PolarHBondContact O-N 3.31Å
261	K	80.2	Confident	79.6	Confident	97 Å²	97	54 Å²	54	42%	0.422	30%	0.299	S	S	.	.	H	α-helix	trans	-54.7	-50.4	170.8	-168.1	174.4	179.8	177.3	0	110.7	S254 S257 T259 I263 I264 H265	S254-K261 WeakPolarHBondContact O-CB 3.32Å; S257-K261 WeakPolarHBondContact O-CB 3.18Å; S257-K261 PolarHBondContact O-N 2.88Å; T259-K261 VanDerWaalsContact C-N 3.33Å; T259-K261 PolarHBondContact O-N 3.44Å; K261-I263 VanDerWaalsContact C-N 3.32Å; K261-I263 PolarHBondContact O-N 3.14Å; K261-I264 PolarHBondContact O-N 2.76Å; K261-H265 WeakPolarHBondContact CG-CE1 3.26Å; K261-H265 PolarHBondContact O-N 3.1Å; K261-H265 PolarHBondContact O-ND1 3.28Å
262	S	79.4	Confident	80	Confident	82 Å²	82	57.3 Å²	57.3	57%	0.573	31%	0.313	S	S	*	.	H	α-helix	trans	-60.3	-38.8	178	-171.6	0	0	0	0	113	N258 T259 W260 S266	N258-S262 WeakPolarHBondContact O-CB 3.49Å; N258-S262 PolarHBondContact O-N 3.33Å; T259-S262 WeakPolarHBondContact O-CB 3.43Å; T259-S262 PolarHBondContact O-N 2.82Å; T259-S262 VanDerWaalsContact O-N 3.16Å; W260-S262 VanDerWaalsContact C-N 3.34Å; W260-S262 PolarHBondContact O-N 3.06Å; S262-S266 PolarHBondContact O-N 3.45Å
263	I	80.6	Confident	80.5	Confident	8 Å²	8	53.6 Å²	53.6	4%	0.041	29%	0.293	C	S	.	.	H	α-helix	trans	-66.3	-44.7	177.3	-67.3	159.6	0	0	0	110.3	I230 L239 F242 T259 W260 K261 H265 S266 L269	I230-I263 HydrophobicContact CG2-CD1 3.65Å; L239-I263 HydrophobicContact CD2-CG2 4.04Å; F242-I263 HydrophobicContact CD2-CG2 4.27Å; F242-I263 HydrophobicContact CE2-CG2 4.4Å; F242-I263 HydrophobicContact CG-CG2 4.35Å; T259-I263 HydrophobicContact CG2-CD1 4.19Å; T259-I263 VanDerWaalsContact O-CG1 3.32Å; T259-I263 WeakPolarHBondContact O-CG1 3.41Å; T259-I263 PolarHBondContact O-N 2.93Å; W260-I263 PolarHBondContact O-N 3.23Å; K261-I263 VanDerWaalsContact C-N 3.32Å; K261-I263 PolarHBondContact O-N 3.14Å; I263-H265 VanDerWaalsContact C-N 3.33Å; I263-H265 PolarHBondContact O-N 2.88Å; I263-S266 WeakPolarHBondContact O-CB 3.47Å; I263-S266 PolarHBondContact O-N 3.2Å; I263-S266 VanDerWaalsContact O-N 3.1Å; I263-L269 WeakPolarHBondContact O-CD1 3.48Å
264	I	81.9	Confident	80.6	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-66.1	-36.5	178.7	-72.6	156.3	0	0	0	111.7	F242 W250 C253 W260 K261 S266 W270	F242-I264 HydrophobicContact CD1-CD1 3.97Å; F242-I264 HydrophobicContact CD1-CG1 3.62Å; F242-I264 HydrophobicContact CE1-CD1 3.61Å; F242-I264 HydrophobicContact CE1-CG1 3.7Å; W250-I264 HydrophobicContact CB-CG2 4.3Å; W250-I264 WeakPolarHBondContact O-CD1 3.18Å; C253-I264 VanDerWaalsContact C-CD1 3.43Å; C253-I264 HydrophobicContact CB-CD1 3.49Å; C253-I264 VanDerWaalsContact CB-CD1 3.49Å; W260-I264 WeakPolarHBondContact O-CD1 3.33Å; W260-I264 WeakPolarHBondContact O-CG1 3.19Å; W260-I264 PolarHBondContact O-N 3.31Å; K261-I264 PolarHBondContact O-N 2.76Å; I264-S266 PolarHBondContact O-N 2.8Å; I264-W270 HydrophobicContact CG2-CZ2 3.97Å; I264-W270 PolarHBondContact O-NE1 2.7Å
265	H	76.8	Confident	80.8	Confident	86 Å²	86	54.7 Å²	54.7	40%	0.398	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-0.1	176.8	-69.7	64.9	0	0	0	112.7	K261 I263 G267 Y294	K261-H265 WeakPolarHBondContact CG-CE1 3.26Å; K261-H265 PolarHBondContact O-N 3.1Å; K261-H265 PolarHBondContact O-ND1 3.28Å; I263-H265 VanDerWaalsContact C-N 3.33Å; I263-H265 PolarHBondContact O-N 2.88Å; H265-G267 PolarHBondContact O-N 2.92Å; H265-Y294 PolarHBondContact CD2-OH 3.02Å; H265-Y294 PolarHBondContact NE2-OH 3.06Å
266	S	75.7	Confident	80.9	Confident	24 Å²	24	48.2 Å²	48.2	17%	0.168	27%	0.268	C	S	.	.	S	Bend	trans	-61.9	125.1	167.3	179.6	0	0	0	0	110	S262 I263 I264 T268 L269	S262-S266 PolarHBondContact O-N 3.45Å; I263-S266 WeakPolarHBondContact O-CB 3.47Å; I263-S266 PolarHBondContact O-N 3.2Å; I263-S266 VanDerWaalsContact O-N 3.1Å; I264-S266 PolarHBondContact O-N 2.8Å; S266-T268 PolarHBondContact O-N 2.9Å; S266-T268 PolarHBondContact OG-OG1 3.23Å; S266-L269 PolarHBondContact O-N 3.06Å
267	G	68.4	Low	80.5	Confident	10 Å²	10	47.3 Å²	47.3	10%	0.103	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-23.9	-178	0	0	0	0	0	114.5	H265 L269 W270 F297	H265-G267 PolarHBondContact O-N 2.92Å; G267-L269 VanDerWaalsContact C-N 3.34Å; G267-L269 PolarHBondContact O-N 2.91Å; G267-W270 PolarHBondContact O-N 2.99Å; G267-F297 VanDerWaalsContact CA-CD2 3.49Å; G267-F297 VanDerWaalsContact CA-CG 3.44Å; G267-F297 VanDerWaalsContact O-CB 3.32Å; G267-F297 WeakPolarHBondContact O-CB 3.19Å
268	T	77.1	Confident	79.8	Confident	74 Å²	74	46 Å²	46	45%	0.454	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-36.6	-179.8	48.4	0	0	0	0	113.9	S266 W270 S271	S266-T268 PolarHBondContact O-N 2.9Å; S266-T268 PolarHBondContact OG-OG1 3.23Å; T268-W270 VanDerWaalsContact C-N 3.33Å; T268-S271 PolarHBondContact O-OG 2.95Å
269	L	80.3	Confident	79.5	Confident	6 Å²	6	46.4 Å²	46.4	3%	0.031	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-71.1	-29.8	179.8	-67.3	170.9	0	0	0	112.3	L239 F242 Q243 W250 I263 S266 G267 S271	L239-L269 HydrophobicContact CD2-CD1 3.93Å; L239-L269 HydrophobicContact CD2-CD2 4.36Å; L239-L269 HydrophobicContact CD2-CG 3.91Å; F242-L269 HydrophobicContact CB-CD1 4.1Å; F242-L269 HydrophobicContact CB-CD2 4.18Å; Q243-L269 HydrophobicContact CG-CD2 3.66Å; W250-L269 VanDerWaalsContact CH2-O 3.23Å; W250-L269 WeakPolarHBondContact CH2-O 3.16Å; W250-L269 WeakPolarHBondContact CZ3-O 3.38Å; I263-L269 WeakPolarHBondContact O-CD1 3.48Å; S266-L269 PolarHBondContact O-N 3.06Å; G267-L269 VanDerWaalsContact C-N 3.34Å; G267-L269 PolarHBondContact O-N 2.91Å; L269-S271 VanDerWaalsContact C-N 3.31Å; L269-S271 PolarHBondContact O-N 3.49Å
270	W	87	Confident	79.1	Confident	1 Å²	1	49.9 Å²	49.9	0%	0.004	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-90.4	8.3	-176.2	-61.4	91.8	0	0	0	114	L247 L251 I264 G267 T268 Q272 I273 I290 Y294	L247-W270 HydrophobicContact CD1-CE3 4.47Å; L247-W270 HydrophobicContact CD1-CH2 4Å; L247-W270 HydrophobicContact CD1-CZ3 3.57Å; L251-W270 HydrophobicContact CD2-CH2 4.2Å; I264-W270 HydrophobicContact CG2-CZ2 3.97Å; I264-W270 PolarHBondContact O-NE1 2.7Å; G267-W270 PolarHBondContact O-N 2.99Å; T268-W270 VanDerWaalsContact C-N 3.33Å; W270-Q272 VanDerWaalsContact C-N 3.32Å; W270-I273 HydrophobicContact CE3-CD1 3.96Å; W270-I273 HydrophobicContact CE3-CG1 4.26Å; W270-I273 WeakPolarHBondContact O-CG1 3.24Å; W270-I290 HydrophobicContact CE3-CG2 3.78Å; W270-I290 HydrophobicContact CH2-CG1 4.41Å; W270-I290 HydrophobicContact CH2-CG2 4.49Å; W270-I290 HydrophobicContact CZ3-CB 4.42Å; W270-I290 HydrophobicContact CZ3-CD1 4.23Å; W270-I290 HydrophobicContact CZ3-CG1 4.1Å; W270-I290 HydrophobicContact CZ3-CG2 3.5Å; W270-Y294 HydrophobicContact CB-CD1 4.27Å; W270-Y294 HydrophobicContact CB-CG 3.97Å; W270-Y294 AromaticContact CD1-CD1 3.54Å; W270-Y294 AromaticContact CD1-CE1 3.65Å; W270-Y294 AromaticContact CD1-CG 3.88Å; W270-Y294 HydrophobicContact CD2-CD1 4.11Å; W270-Y294 AromaticContact CD2-CD2 3.46Å; W270-Y294 HydrophobicContact CD2-CD2 3.46Å; W270-Y294 VanDerWaalsContact CD2-CD2 3.46Å; W270-Y294 HydrophobicContact CD2-CE1 4.32Å; W270-Y294 AromaticContact CD2-CE2 3.71Å; W270-Y294 HydrophobicContact CD2-CE2 3.71Å; W270-Y294 AromaticContact CD2-CG 3.68Å; W270-Y294 HydrophobicContact CD2-CG 3.68Å; W270-Y294 AromaticContact CE2-CD2 3.71Å; W270-Y294 AromaticContact CE2-CE1 3.93Å; W270-Y294 AromaticContact CE2-CE2 3.4Å; W270-Y294 AromaticContact CE2-CZ 3.51Å; W270-Y294 AromaticContact CE3-CD2 3.66Å; W270-Y294 HydrophobicContact CE3-CD2 3.66Å; W270-Y294 HydrophobicContact CE3-CE2 4.05Å; W270-Y294 HydrophobicContact CE3-CG 4.18Å; W270-Y294 AromaticContact CG-CD1 3.71Å; W270-Y294 HydrophobicContact CG-CD1 3.71Å; W270-Y294 AromaticContact CG-CD2 3.9Å; W270-Y294 HydrophobicContact CG-CD2 3.9Å; W270-Y294 HydrophobicContact CG-CE1 4.16Å; W270-Y294 HydrophobicContact CG-CE2 4.33Å; W270-Y294 AromaticContact CG-CG 3.55Å; W270-Y294 HydrophobicContact CG-CG 3.55Å; W270-Y294 HydrophobicContact CH2-CD2 4.28Å; W270-Y294 AromaticContact CH2-CE2 3.86Å; W270-Y294 HydrophobicContact CH2-CE2 3.86Å; W270-Y294 HydrophobicContact CZ2-CD2 4.12Å; W270-Y294 AromaticContact CZ2-CE2 3.49Å; W270-Y294 HydrophobicContact CZ2-CE2 3.49Å; W270-Y294 VanDerWaalsContact CZ2-CE2 3.49Å; W270-Y294 AromaticContact CZ2-CZ 3.78Å; W270-Y294 HydrophobicContact CZ3-CD2 4.06Å; W270-Y294 HydrophobicContact CZ3-CE2 4.11Å; W270-Y294 AromaticContact NE1-CD1 3.85Å; W270-Y294 AromaticContact NE1-CE1 3.49Å; W270-Y294 AromaticContact NE1-CE2 3.86Å; W270-Y294 AromaticContact NE1-CZ 3.48Å
271	S	87.4	Confident	78.7	Confident	37 Å²	37	51 Å²	51	26%	0.259	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-66.6	-34.9	176.4	56.8	0	0	0	0	112.8	T268 L269 F297 T299 H300	T268-S271 PolarHBondContact O-OG 2.95Å; L269-S271 VanDerWaalsContact C-N 3.31Å; L269-S271 PolarHBondContact O-N 3.49Å; S271-F297 VanDerWaalsContact CA-O 3.3Å; S271-F297 WeakPolarHBondContact CA-O 3.23Å; S271-T299 PolarHBondContact O-N 2.91Å; S271-T299 PolarHBondContact O-OG1 2.64Å; S271-T299 VanDerWaalsContact O-OG1 3.1Å; S271-H300 PolarHBondContact O-N 3.32Å
272	Q	87.8	Confident	78.4	Confident	120 Å²	120	46.6 Å²	46.6	56%	0.561	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	107.3	178.2	-58.7	-172.1	-13.5	0	0	109.9	W270 H300	W270-Q272 VanDerWaalsContact C-N 3.32Å; Q272-H300 HydrophobicContact CB-CB 4.25Å; Q272-H300 HydrophobicContact CG-CB 3.97Å
273	I	88.4	Confident	78.5	Confident	3 Å²	3	45.7 Å²	45.7	2%	0.015	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.5	-178.7	-56.7	177	0	0	0	109.2	L247 W270 F275 I290 L291 V298 H300 L301 N302	L247-I273 HydrophobicContact CD2-CG2 4.47Å; W270-I273 HydrophobicContact CE3-CD1 3.96Å; W270-I273 HydrophobicContact CE3-CG1 4.26Å; W270-I273 WeakPolarHBondContact O-CG1 3.24Å; I273-F275 HydrophobicContact CG2-CD1 4.44Å; I273-F275 HydrophobicContact CG2-CD2 3.79Å; I273-F275 HydrophobicContact CG2-CE1 4.14Å; I273-F275 HydrophobicContact CG2-CE2 3.45Å; I273-F275 VanDerWaalsContact CG2-CE2 3.45Å; I273-F275 HydrophobicContact CG2-CG 4.29Å; I273-F275 HydrophobicContact CG2-CZ 3.64Å; I273-I290 HydrophobicContact CD1-CG2 3.92Å; I273-L291 HydrophobicContact CD1-CD2 4.37Å; I273-V298 HydrophobicContact CD1-CG1 4.44Å; I273-V298 HydrophobicContact CD1-CG2 3.7Å; I273-H300 PolarHBondContact N-O 3.43Å; I273-L301 HydrophobicContact CB-CD1 4.01Å; I273-L301 HydrophobicContact CG2-CD1 4.14Å; I273-L301 WeakPolarHBondContact O-CA 3.38Å; I273-N302 PolarHBondContact O-N 3.31Å
274	N	85.4	Confident	78.5	Confident	66 Å²	66	46.5 Å²	46.5	35%	0.353	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	100.6	175.7	-172.2	-1	0	0	0	111.1	S276 N302	N274-S276 WeakPolarHBondContact OD1-CB 3.4Å; N274-S276 PolarHBondContact OD1-N 3.42Å; N274-S276 VanDerWaalsContact OD1-N 3.12Å; N274-S276 PolarHBondContact OD1-OG 3.31Å; N274-N302 HydrophobicContact CB-CB 4.45Å
275	F	85.4	Confident	78.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.27	C	S	.	.			trans	-83	-20.4	175.7	-71	-65	0	0	0	113.3	L247 I273 V277 G278 R279 V282 V287 I290 L301 N302 M303	L247-F275 HydrophobicContact CD2-CD1 3.58Å; L247-F275 HydrophobicContact CD2-CE1 3.63Å; I273-F275 HydrophobicContact CG2-CD1 4.44Å; I273-F275 HydrophobicContact CG2-CD2 3.79Å; I273-F275 HydrophobicContact CG2-CE1 4.14Å; I273-F275 HydrophobicContact CG2-CE2 3.45Å; I273-F275 VanDerWaalsContact CG2-CE2 3.45Å; I273-F275 HydrophobicContact CG2-CG 4.29Å; I273-F275 HydrophobicContact CG2-CZ 3.64Å; F275-V277 VanDerWaalsContact C-N 3.27Å; F275-V277 PolarHBondContact O-N 3.18Å; F275-G278 CarbonylContact O-C 3.35Å; F275-G278 WeakPolarHBondContact O-CA 3.43Å; F275-G278 PolarHBondContact O-N 2.69Å; F275-R279 PolarHBondContact O-N 3.42Å; F275-V282 HydrophobicContact CB-CG1 4.38Å; F275-V282 HydrophobicContact CD1-CB 4.46Å; F275-V282 HydrophobicContact CD1-CG1 3.73Å; F275-V282 HydrophobicContact CD1-CG2 3.79Å; F275-V282 HydrophobicContact CE1-CG1 4.31Å; F275-V282 HydrophobicContact CG-CG1 4.26Å; F275-V287 HydrophobicContact CD1-CG2 4.41Å; F275-V287 HydrophobicContact CE1-CG2 4.16Å; F275-V287 HydrophobicContact CE2-CG1 4.38Å; F275-V287 HydrophobicContact CE2-CG2 4.37Å; F275-V287 HydrophobicContact CZ-CG1 4.48Å; F275-V287 HydrophobicContact CZ-CG2 4.13Å; F275-I290 HydrophobicContact CE1-CD1 3.76Å; F275-I290 HydrophobicContact CZ-CB 4.35Å; F275-I290 HydrophobicContact CZ-CD1 4.01Å; F275-I290 HydrophobicContact CZ-CG2 4.1Å; F275-L301 HydrophobicContact CD2-CD1 3.64Å; F275-L301 HydrophobicContact CE2-CD1 3.61Å; F275-N302 PolarHBondContact N-O 2.94Å; F275-M303 HydrophobicContact CB-CG 4.32Å; F275-M303 HydrophobicContact CD2-CG 3.85Å; F275-M303 HydrophobicContact CD2-SD 4.36Å
276	S	80.8	Confident	78.7	Confident	28 Å²	28	47.1 Å²	47.1	20%	0.196	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-59.1	-36	-176.1	69.6	0	0	0	0	113.3	N274 G278 R279 N302 R304	N274-S276 WeakPolarHBondContact OD1-CB 3.4Å; N274-S276 PolarHBondContact OD1-N 3.42Å; N274-S276 VanDerWaalsContact OD1-N 3.12Å; N274-S276 PolarHBondContact OD1-OG 3.31Å; S276-G278 PolarHBondContact O-N 3.41Å; S276-R279 PolarHBondContact O-N 3.19Å; S276-N302 PolarHBondContact N-O 3.1Å; S276-R304 WeakPolarHBondContact CB-O 3.48Å
277	V	70.9	Confident	79.2	Confident	70 Å²	70	46 Å²	46	42%	0.424	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-68.8	-19.2	177.5	-175.4	0	0	0	0	112	F275	F275-V277 VanDerWaalsContact C-N 3.27Å; F275-V277 PolarHBondContact O-N 3.18Å
278	G	65.5	Low	80	Confident	6 Å²	6	48.5 Å²	48.5	6%	0.062	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-110.6	14.9	-177.8	0	0	0	0	0	114.9	F275 S276 D280 W281 V282	F275-G278 CarbonylContact O-C 3.35Å; F275-G278 WeakPolarHBondContact O-CA 3.43Å; F275-G278 PolarHBondContact O-N 2.69Å; S276-G278 PolarHBondContact O-N 3.41Å; G278-D280 PolarHBondContact O-N 2.92Å; G278-W281 VanDerWaalsContact CA-NE1 3.28Å; G278-W281 VanDerWaalsContact O-CD1 3.26Å; G278-W281 PolarHBondContact O-N 3.45Å; G278-V282 WeakPolarHBondContact O-CB 3.17Å; G278-V282 WeakPolarHBondContact O-CG2 3.26Å; G278-V282 PolarHBondContact O-N 3.4Å
279	R	70.3	Confident	80.4	Confident	148 Å²	148	52.6 Å²	52.6	56%	0.558	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-28.8	-171	67.6	-175.3	-178.1	-173.5	-2.3	115.1	F275 S276	F275-R279 PolarHBondContact O-N 3.42Å; S276-R279 PolarHBondContact O-N 3.19Å
280	D	69.1	Low	80.8	Confident	128 Å²	128	52.6 Å²	52.6	68%	0.684	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-25.9	-178.6	-57	-19.9	0	0	0	113.9	G278	G278-D280 PolarHBondContact O-N 2.92Å
281	W	73.5	Confident	80.9	Confident	76 Å²	76	52.6 Å²	52.6	29%	0.288	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-13.3	-176.8	69.5	-90.6	0	0	0	113.5	L247 R248 L251 G278 T283 T286	L247-W281 HydrophobicContact CD2-CH2 4.37Å; L247-W281 HydrophobicContact CD2-CZ2 4.45Å; L247-W281 HydrophobicContact CG-CH2 4.47Å; R248-W281 HydrophobicContact CB-CZ2 3.93Å; R248-W281 HydrophobicContact CG-CZ2 4.38Å; L251-W281 HydrophobicContact CD1-CH2 3.71Å; L251-W281 HydrophobicContact CD1-CZ3 3.95Å; G278-W281 VanDerWaalsContact CA-NE1 3.28Å; G278-W281 VanDerWaalsContact O-CD1 3.26Å; G278-W281 PolarHBondContact O-N 3.45Å; W281-T283 PolarHBondContact O-N 3.03Å; W281-T286 HydrophobicContact CH2-CG2 4.43Å; W281-T286 HydrophobicContact CZ3-CG2 3.79Å
282	V	75.6	Confident	80.8	Confident	4 Å²	4	55 Å²	55	2%	0.024	28%	0.279	C	S	.	.			trans	-72	112.7	177.6	172	0	0	0	0	109.1	F275 G278 V287	F275-V282 HydrophobicContact CB-CG1 4.38Å; F275-V282 HydrophobicContact CD1-CB 4.46Å; F275-V282 HydrophobicContact CD1-CG1 3.73Å; F275-V282 HydrophobicContact CD1-CG2 3.79Å; F275-V282 HydrophobicContact CE1-CG1 4.31Å; F275-V282 HydrophobicContact CG-CG1 4.26Å; G278-V282 WeakPolarHBondContact O-CB 3.17Å; G278-V282 WeakPolarHBondContact O-CG2 3.26Å; G278-V282 PolarHBondContact O-N 3.4Å; V282-V287 HydrophobicContact CG1-CG2 3.49Å; V282-V287 VanDerWaalsContact CG1-CG2 3.49Å
283	T	80.1	Confident	80.7	Confident	62 Å²	62	52.7 Å²	52.7	38%	0.38	28%	0.276	S	S	.	.			trans	-106	164.8	175	68.3	0	0	0	0	110.7	W281 A285 T286 V287	W281-T283 PolarHBondContact O-N 3.03Å; T283-A285 PolarHBondContact O-N 2.82Å; T283-T286 WeakPolarHBondContact O-CB 3.29Å; T283-T286 PolarHBondContact O-N 3.27Å; T283-T286 PolarHBondContact OG1-N 3.49Å; T283-T286 PolarHBondContact OG1-OG1 3.08Å; T283-T286 VanDerWaalsContact OG1-OG1 3.12Å; T283-V287 PolarHBondContact O-N 3.35Å
284	D	80.6	Confident	80.6	Confident	26 Å²	26	53.5 Å²	53.5	14%	0.139	28%	0.279	C	S	.	.	H	α-helix	trans	-53.1	-40.2	172.8	-80.4	-32.8	0	0	0	113.5	T286 V287 Q288 T309 K310 S313	D284-T286 VanDerWaalsContact C-N 3.29Å; D284-T286 PolarHBondContact O-N 2.68Å; D284-V287 PolarHBondContact O-N 2.96Å; D284-Q288 WeakPolarHBondContact O-CB 3.48Å; D284-Q288 PolarHBondContact O-N 3.06Å; D284-T309 VanDerWaalsContact OD1-C 3.29Å; D284-T309 WeakPolarHBondContact OD1-CA 3.37Å; D284-T309 WeakPolarHBondContact OD1-CB 3.09Å; D284-K310 PolarHBondContact OD1-N 3.49Å; D284-K310 WeakPolarHBondContact OD2-CB 3.16Å; D284-K310 WeakPolarHBondContact OD2-CG 3.1Å; D284-K310 PolarHBondContact OD2-N 3.16Å; D284-S313 WeakPolarHBondContact OD1-CB 3.43Å; D284-S313 PolarHBondContact OD1-OG 3.21Å
285	A	82.1	Confident	80.7	Confident	69 Å²	69	54.6 Å²	54.6	57%	0.57	28%	0.278	S	S	*	.	H	α-helix	trans	-63.3	-39	178.9	0	0	0	0	0	111.2	T283 K289	T283-A285 PolarHBondContact O-N 2.82Å; A285-K289 VanDerWaalsContact O-CB 3.31Å; A285-K289 WeakPolarHBondContact O-CB 3.27Å; A285-K289 PolarHBondContact O-N 3.35Å
286	T	82.2	Confident	80.8	Confident	31 Å²	31	58 Å²	58	19%	0.19	30%	0.3	C	S	.	.	H	α-helix	trans	-64.8	-52.4	176	-54.5	0	0	0	0	111	W281 T283 D284 Q288 K289 I290	W281-T286 HydrophobicContact CH2-CG2 4.43Å; W281-T286 HydrophobicContact CZ3-CG2 3.79Å; T283-T286 WeakPolarHBondContact O-CB 3.29Å; T283-T286 PolarHBondContact O-N 3.27Å; T283-T286 PolarHBondContact OG1-N 3.49Å; T283-T286 PolarHBondContact OG1-OG1 3.08Å; T283-T286 VanDerWaalsContact OG1-OG1 3.12Å; D284-T286 VanDerWaalsContact C-N 3.29Å; D284-T286 PolarHBondContact O-N 2.68Å; T286-Q288 VanDerWaalsContact C-N 3.33Å; T286-Q288 PolarHBondContact O-N 3.07Å; T286-K289 PolarHBondContact O-N 2.97Å; T286-I290 HydrophobicContact CG2-CD1 3.81Å; T286-I290 WeakPolarHBondContact O-CG1 3.4Å; T286-I290 PolarHBondContact O-N 3.17Å
287	V	85.4	Confident	81.1	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-58.6	-47.6	179.6	175.3	0	0	0	0	110.4	F275 V282 T283 D284 K289 I290 L291 T309	F275-V287 HydrophobicContact CD1-CG2 4.41Å; F275-V287 HydrophobicContact CE1-CG2 4.16Å; F275-V287 HydrophobicContact CE2-CG1 4.38Å; F275-V287 HydrophobicContact CE2-CG2 4.37Å; F275-V287 HydrophobicContact CZ-CG1 4.48Å; F275-V287 HydrophobicContact CZ-CG2 4.13Å; V282-V287 HydrophobicContact CG1-CG2 3.49Å; V282-V287 VanDerWaalsContact CG1-CG2 3.49Å; T283-V287 PolarHBondContact O-N 3.35Å; D284-V287 PolarHBondContact O-N 2.96Å; V287-K289 PolarHBondContact O-N 3.23Å; V287-I290 PolarHBondContact O-N 3.37Å; V287-L291 HydrophobicContact CG1-CD1 3.7Å; V287-L291 HydrophobicContact CG1-CG 4.19Å; V287-L291 WeakPolarHBondContact O-CB 3.39Å; V287-L291 WeakPolarHBondContact O-CG 3.41Å; V287-L291 PolarHBondContact O-N 3.3Å; V287-T309 HydrophobicContact CG2-CG2 4.03Å
288	Q	86.3	Confident	82.1	Confident	63 Å²	63	58.3 Å²	58.3	29%	0.294	29%	0.292	S	S	.	.	H	α-helix	trans	-57.7	-47.9	177.2	171	173.7	-34.7	0	0	111.9	D284 T286 I290 K292 Y316	D284-Q288 WeakPolarHBondContact O-CB 3.48Å; D284-Q288 PolarHBondContact O-N 3.06Å; T286-Q288 VanDerWaalsContact C-N 3.33Å; T286-Q288 PolarHBondContact O-N 3.07Å; Q288-I290 VanDerWaalsContact C-N 3.31Å; Q288-I290 PolarHBondContact O-N 2.81Å; Q288-K292 HydrophobicContact CG-CD 3.95Å; Q288-K292 HydrophobicContact CG-CG 4.33Å; Q288-K292 WeakPolarHBondContact O-CB 3.47Å; Q288-K292 VanDerWaalsContact O-CG 3.23Å; Q288-K292 WeakPolarHBondContact O-CG 3.35Å; Q288-K292 PolarHBondContact O-N 2.73Å; Q288-Y316 HydrophobicContact CB-CD2 4.23Å; Q288-Y316 HydrophobicContact CB-CE2 4.16Å; Q288-Y316 HydrophobicContact CG-CD2 4.01Å; Q288-Y316 HydrophobicContact CG-CE2 3.52Å
289	K	85.3	Confident	83.5	Confident	160 Å²	160	59.4 Å²	59.4	70%	0.696	30%	0.298	S	S	*	.	H	α-helix	trans	-62	-41.9	-178.4	-174.3	178.7	179.2	-177.1	0	111.4	A285 T286 V287 S293	A285-K289 VanDerWaalsContact O-CB 3.31Å; A285-K289 WeakPolarHBondContact O-CB 3.27Å; A285-K289 PolarHBondContact O-N 3.35Å; T286-K289 PolarHBondContact O-N 2.97Å; V287-K289 PolarHBondContact O-N 3.23Å; K289-S293 WeakPolarHBondContact O-CB 3.27Å; K289-S293 PolarHBondContact O-N 3.11Å; K289-S293 PolarHBondContact O-OG 2.93Å
290	I	87.6	Confident	84.6	Confident	7 Å²	7	54.4 Å²	54.4	4%	0.036	28%	0.281	C	S	.	.	H	α-helix	trans	-67.9	-56.2	179.7	-70.3	168.6	0	0	0	110.5	L247 W270 I273 F275 T286 V287 Q288 K292 S293 Y294	L247-I290 HydrophobicContact CD1-CD1 4.42Å; W270-I290 HydrophobicContact CE3-CG2 3.78Å; W270-I290 HydrophobicContact CH2-CG1 4.41Å; W270-I290 HydrophobicContact CH2-CG2 4.49Å; W270-I290 HydrophobicContact CZ3-CB 4.42Å; W270-I290 HydrophobicContact CZ3-CD1 4.23Å; W270-I290 HydrophobicContact CZ3-CG1 4.1Å; W270-I290 HydrophobicContact CZ3-CG2 3.5Å; I273-I290 HydrophobicContact CD1-CG2 3.92Å; F275-I290 HydrophobicContact CE1-CD1 3.76Å; F275-I290 HydrophobicContact CZ-CB 4.35Å; F275-I290 HydrophobicContact CZ-CD1 4.01Å; F275-I290 HydrophobicContact CZ-CG2 4.1Å; T286-I290 HydrophobicContact CG2-CD1 3.81Å; T286-I290 WeakPolarHBondContact O-CG1 3.4Å; T286-I290 PolarHBondContact O-N 3.17Å; V287-I290 PolarHBondContact O-N 3.37Å; Q288-I290 VanDerWaalsContact C-N 3.31Å; Q288-I290 PolarHBondContact O-N 2.81Å; I290-K292 VanDerWaalsContact C-N 3.32Å; I290-K292 PolarHBondContact O-N 3.06Å; I290-S293 PolarHBondContact O-N 2.78Å; I290-Y294 HydrophobicContact CG2-CD2 4.15Å; I290-Y294 VanDerWaalsContact O-CD2 3.24Å; I290-Y294 WeakPolarHBondContact O-CD2 3.33Å; I290-Y294 PolarHBondContact O-N 3.11Å
291	L	88.6	Confident	85.8	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.9	-35.6	-176.4	-64.8	-178	0	0	0	111.9	I273 V287 S293 Y294 R295 V298 I317	I273-L291 HydrophobicContact CD1-CD2 4.37Å; V287-L291 HydrophobicContact CG1-CD1 3.7Å; V287-L291 HydrophobicContact CG1-CG 4.19Å; V287-L291 WeakPolarHBondContact O-CB 3.39Å; V287-L291 WeakPolarHBondContact O-CG 3.41Å; V287-L291 PolarHBondContact O-N 3.3Å; L291-S293 PolarHBondContact O-N 3.23Å; L291-Y294 PolarHBondContact O-N 3.45Å; L291-R295 WeakPolarHBondContact O-CA 3.5Å; L291-R295 WeakPolarHBondContact O-CB 3.48Å; L291-R295 WeakPolarHBondContact O-CG 3.48Å; L291-R295 PolarHBondContact O-N 3.46Å; L291-V298 HydrophobicContact CD2-CG2 4.29Å; L291-I317 HydrophobicContact CD1-CG1 3.82Å
292	K	86.9	Confident	86.5	Confident	89 Å²	89	46.8 Å²	46.8	39%	0.387	25%	0.246	S	C	.	.	H	α-helix	trans	-58.5	-36.7	171.9	-81.7	-175.2	177.3	-176.2	0	113.3	Q288 I290 R295 Y316	Q288-K292 HydrophobicContact CG-CD 3.95Å; Q288-K292 HydrophobicContact CG-CG 4.33Å; Q288-K292 WeakPolarHBondContact O-CB 3.47Å; Q288-K292 VanDerWaalsContact O-CG 3.23Å; Q288-K292 WeakPolarHBondContact O-CG 3.35Å; Q288-K292 PolarHBondContact O-N 2.73Å; I290-K292 VanDerWaalsContact C-N 3.32Å; I290-K292 PolarHBondContact O-N 3.06Å; K292-R295 PolarHBondContact O-NH1 3Å; K292-Y316 HydrophobicContact CD-CE1 4.19Å; K292-Y316 WeakPolarHBondContact CE-OH 3.39Å; K292-Y316 HydrophobicContact CG-CD1 3.85Å; K292-Y316 HydrophobicContact CG-CE1 3.65Å; K292-Y316 HydrophobicContact CG-CG 4.41Å; K292-Y316 PolarHBondContact NZ-OH 3.05Å
293	S	85.2	Confident	87.2	Confident	70 Å²	70	46.6 Å²	46.6	49%	0.49	24%	0.244	S	C	.	.	H	α-helix	trans	-85.2	-33.1	-173.9	-53.5	0	0	0	0	111.8	K289 I290 L291	K289-S293 WeakPolarHBondContact O-CB 3.27Å; K289-S293 PolarHBondContact O-N 3.11Å; K289-S293 PolarHBondContact O-OG 2.93Å; I290-S293 PolarHBondContact O-N 2.78Å; L291-S293 PolarHBondContact O-N 3.23Å
294	Y	86.4	Confident	87.5	Confident	21 Å²	21	49.6 Å²	49.6	8%	0.082	25%	0.249	C	C	.	.	H	α-helix	trans	-122.8	0.8	-166.7	-53.8	-66.9	0	0	0	115.3	H265 W270 I290 L291 P296 F297 V298	H265-Y294 PolarHBondContact CD2-OH 3.02Å; H265-Y294 PolarHBondContact NE2-OH 3.06Å; W270-Y294 HydrophobicContact CB-CD1 4.27Å; W270-Y294 HydrophobicContact CB-CG 3.97Å; W270-Y294 AromaticContact CD1-CD1 3.54Å; W270-Y294 AromaticContact CD1-CE1 3.65Å; W270-Y294 AromaticContact CD1-CG 3.88Å; W270-Y294 HydrophobicContact CD2-CD1 4.11Å; W270-Y294 AromaticContact CD2-CD2 3.46Å; W270-Y294 HydrophobicContact CD2-CD2 3.46Å; W270-Y294 VanDerWaalsContact CD2-CD2 3.46Å; W270-Y294 HydrophobicContact CD2-CE1 4.32Å; W270-Y294 AromaticContact CD2-CE2 3.71Å; W270-Y294 HydrophobicContact CD2-CE2 3.71Å; W270-Y294 AromaticContact CD2-CG 3.68Å; W270-Y294 HydrophobicContact CD2-CG 3.68Å; W270-Y294 AromaticContact CE2-CD2 3.71Å; W270-Y294 AromaticContact CE2-CE1 3.93Å; W270-Y294 AromaticContact CE2-CE2 3.4Å; W270-Y294 AromaticContact CE2-CZ 3.51Å; W270-Y294 AromaticContact CE3-CD2 3.66Å; W270-Y294 HydrophobicContact CE3-CD2 3.66Å; W270-Y294 HydrophobicContact CE3-CE2 4.05Å; W270-Y294 HydrophobicContact CE3-CG 4.18Å; W270-Y294 AromaticContact CG-CD1 3.71Å; W270-Y294 HydrophobicContact CG-CD1 3.71Å; W270-Y294 AromaticContact CG-CD2 3.9Å; W270-Y294 HydrophobicContact CG-CD2 3.9Å; W270-Y294 HydrophobicContact CG-CE1 4.16Å; W270-Y294 HydrophobicContact CG-CE2 4.33Å; W270-Y294 AromaticContact CG-CG 3.55Å; W270-Y294 HydrophobicContact CG-CG 3.55Å; W270-Y294 HydrophobicContact CH2-CD2 4.28Å; W270-Y294 AromaticContact CH2-CE2 3.86Å; W270-Y294 HydrophobicContact CH2-CE2 3.86Å; W270-Y294 HydrophobicContact CZ2-CD2 4.12Å; W270-Y294 AromaticContact CZ2-CE2 3.49Å; W270-Y294 HydrophobicContact CZ2-CE2 3.49Å; W270-Y294 VanDerWaalsContact CZ2-CE2 3.49Å; W270-Y294 AromaticContact CZ2-CZ 3.78Å; W270-Y294 HydrophobicContact CZ3-CD2 4.06Å; W270-Y294 HydrophobicContact CZ3-CE2 4.11Å; W270-Y294 AromaticContact NE1-CD1 3.85Å; W270-Y294 AromaticContact NE1-CE1 3.49Å; W270-Y294 AromaticContact NE1-CE2 3.86Å; W270-Y294 AromaticContact NE1-CZ 3.48Å; I290-Y294 HydrophobicContact CG2-CD2 4.15Å; I290-Y294 VanDerWaalsContact O-CD2 3.24Å; I290-Y294 WeakPolarHBondContact O-CD2 3.33Å; I290-Y294 PolarHBondContact O-N 3.11Å; L291-Y294 PolarHBondContact O-N 3.45Å; Y294-P296 VanDerWaalsContact C-N 3.27Å; Y294-P296 VanDerWaalsContact O-CD 3.28Å; Y294-P296 WeakPolarHBondContact O-CD 3.43Å; Y294-F297 PolarHBondContact O-N 3.07Å; Y294-V298 WeakPolarHBondContact O-CG2 3.31Å
295	R	87.1	Confident	87.5	Confident	89 Å²	89	48.8 Å²	48.8	34%	0.336	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.8	-34.6	179.3	60.5	178.7	-171.9	-79.2	-0.7	116.7	L291 K292 F297 E319	L291-R295 WeakPolarHBondContact O-CA 3.5Å; L291-R295 WeakPolarHBondContact O-CB 3.48Å; L291-R295 WeakPolarHBondContact O-CG 3.48Å; L291-R295 PolarHBondContact O-N 3.46Å; K292-R295 PolarHBondContact O-NH1 3Å; R295-F297 PolarHBondContact O-N 2.86Å; R295-E319 IonicContact CZ-OE2 3.09Å; R295-E319 IonicContact NE-OE2 2.89Å
296	P	87.3	Confident	87.4	Confident	72 Å²	72	45.8 Å²	45.8	47%	0.468	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-22.5	-179.8	-20.4	35.4	0	0	0	113.4	Y294 N322	Y294-P296 VanDerWaalsContact C-N 3.27Å; Y294-P296 VanDerWaalsContact O-CD 3.28Å; Y294-P296 WeakPolarHBondContact O-CD 3.43Å; P296-N322 PolarHBondContact O-ND2 2.8Å
297	F	87.9	Confident	86.8	Confident	103 Å²	103	51.4 Å²	51.4	45%	0.452	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-17.6	-174.7	-53.2	-70.8	0	0	0	113.4	G267 S271 Y294 R295 T299	G267-F297 VanDerWaalsContact CA-CD2 3.49Å; G267-F297 VanDerWaalsContact CA-CG 3.44Å; G267-F297 VanDerWaalsContact O-CB 3.32Å; G267-F297 WeakPolarHBondContact O-CB 3.19Å; S271-F297 VanDerWaalsContact CA-O 3.3Å; S271-F297 WeakPolarHBondContact CA-O 3.23Å; Y294-F297 PolarHBondContact O-N 3.07Å; R295-F297 PolarHBondContact O-N 2.86Å; F297-T299 PolarHBondContact O-N 3.14Å
298	V	91.4	Very high	85.9	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.27	C	S	.	.			trans	-68.3	119.1	-174.6	-175.2	0	0	0	0	110	I273 L291 Y294 L301 N322 L323	I273-V298 HydrophobicContact CD1-CG1 4.44Å; I273-V298 HydrophobicContact CD1-CG2 3.7Å; L291-V298 HydrophobicContact CD2-CG2 4.29Å; Y294-V298 WeakPolarHBondContact O-CG2 3.31Å; V298-L301 HydrophobicContact CG1-CB 4.26Å; V298-N322 CarbonylContact O-C 3.57Å; V298-L323 HydrophobicContact CG1-CD1 3.92Å
299	T	93.9	Very high	84.9	Confident	30 Å²	30	52.2 Å²	52.2	18%	0.184	26%	0.258	C	S	.	.			trans	-114.6	-29.1	173.5	56.3	0	0	0	0	111.8	S271 F297 Q324 E325	S271-T299 PolarHBondContact O-N 2.91Å; S271-T299 PolarHBondContact O-OG1 2.64Å; S271-T299 VanDerWaalsContact O-OG1 3.1Å; F297-T299 PolarHBondContact O-N 3.14Å; T299-Q324 PolarHBondContact O-N 2.96Å; T299-E325 PolarHBondContact O-N 3.45Å
300	H	94.6	Very high	84.2	Confident	42 Å²	42	51.7 Å²	51.7	19%	0.194	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127.5	178.3	-52.7	54.8	0	0	0	109.9	S271 Q272 I273 E325	S271-H300 PolarHBondContact O-N 3.32Å; Q272-H300 HydrophobicContact CB-CB 4.25Å; Q272-H300 HydrophobicContact CG-CB 3.97Å; I273-H300 PolarHBondContact N-O 3.43Å; H300-E325 WeakPolarHBondContact CA-O 3.28Å; H300-E325 HydrophobicContact CB-CB 4.28Å; H300-E325 IonicContact CD2-OE1 2.73Å; H300-E325 IonicContact CD2-OE2 3.71Å; H300-E325 PolarHBondContact CD2-OE2 2.96Å; H300-E325 IonicContact NE2-OE1 3.69Å; H300-E325 IonicContact NE2-OE2 3.53Å
301	L	92.9	Very high	83.2	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.016	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	115.4	179.5	-178.8	61.1	0	0	0	110.3	I273 F275 V298 M303 I317 L323 E325 L326 N327	I273-L301 HydrophobicContact CB-CD1 4.01Å; I273-L301 HydrophobicContact CG2-CD1 4.14Å; I273-L301 WeakPolarHBondContact O-CA 3.38Å; F275-L301 HydrophobicContact CD2-CD1 3.64Å; F275-L301 HydrophobicContact CE2-CD1 3.61Å; V298-L301 HydrophobicContact CG1-CB 4.26Å; L301-M303 HydrophobicContact CD1-CG 4.15Å; L301-M303 HydrophobicContact CD2-CG 4.48Å; L301-M303 HydrophobicContact CD2-SD 4.2Å; L301-M303 HydrophobicContact CG-CG 4.09Å; L301-M303 HydrophobicContact CG-SD 4.44Å; L301-I317 HydrophobicContact CD2-CB 4.5Å; L301-I317 HydrophobicContact CD2-CD1 3.84Å; L301-I317 HydrophobicContact CD2-CG1 3.73Å; L301-I317 HydrophobicContact CD2-CG2 4.12Å; L301-L323 HydrophobicContact CB-CD1 3.81Å; L301-E325 PolarHBondContact N-O 2.6Å; L301-L326 HydrophobicContact CB-CD1 4.08Å; L301-L326 HydrophobicContact CD2-CD1 3.97Å; L301-L326 HydrophobicContact CG-CD1 4.1Å; L301-L326 WeakPolarHBondContact O-CA 3.36Å; L301-N327 PolarHBondContact O-N 3.17Å
302	N	89.6	Confident	82.2	Confident	41 Å²	41	58.2 Å²	58.2	22%	0.219	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	115.9	174.6	-176.9	-8.5	0	0	0	110.7	I273 N274 F275 S276 R304 N327	I273-N302 PolarHBondContact O-N 3.31Å; N274-N302 HydrophobicContact CB-CB 4.45Å; F275-N302 PolarHBondContact N-O 2.94Å; S276-N302 PolarHBondContact N-O 3.1Å; N302-R304 WeakPolarHBondContact OD1-CB 3.34Å; N302-R304 PolarHBondContact OD1-N 2.95Å; N302-N327 HydrophobicContact CB-CB 4.4Å
303	M	89.3	Confident	81.3	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.271	C	S	.	.			trans	-121.1	20.1	178.6	-70.2	-165.9	61.8	0	0	112.7	F275 L301 G305 C306 T309 L314 I317 N327 L328 C331	F275-M303 HydrophobicContact CB-CG 4.32Å; F275-M303 HydrophobicContact CD2-CG 3.85Å; F275-M303 HydrophobicContact CD2-SD 4.36Å; L301-M303 HydrophobicContact CD1-CG 4.15Å; L301-M303 HydrophobicContact CD2-CG 4.48Å; L301-M303 HydrophobicContact CD2-SD 4.2Å; L301-M303 HydrophobicContact CG-CG 4.09Å; L301-M303 HydrophobicContact CG-SD 4.44Å; M303-G305 PolarHBondContact O-N 3.15Å; M303-C306 HydrophobicContact CE-CB 4.21Å; M303-C306 VanDerWaalsContact O-CB 3.26Å; M303-C306 WeakPolarHBondContact O-CB 3.2Å; M303-C306 PolarHBondContact O-N 3.08Å; M303-C306 VanDerWaalsContact O-N 3.12Å; M303-C306 PolarHBondContact O-SG 2.98Å; M303-T309 HydrophobicContact CE-CG2 3.99Å; M303-L314 HydrophobicContact CE-CD2 3.55Å; M303-L314 HydrophobicContact SD-CD2 3.84Å; M303-I317 HydrophobicContact SD-CD1 3.72Å; M303-N327 WeakPolarHBondContact CA-O 3.49Å; M303-N327 PolarHBondContact N-O 2.84Å; M303-L328 HydrophobicContact CB-CD2 4.04Å; M303-L328 HydrophobicContact SD-CD2 4.48Å; M303-C331 PolarHBondContact O-SG 3.08Å
304	R	86.9	Confident	80.6	Confident	126 Å²	126	51 Å²	51	48%	0.475	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	129.9	-178.9	176.1	175.3	-179.9	-172.8	2.3	112.2	S276 N302 C306 S329 E330	S276-R304 WeakPolarHBondContact CB-O 3.48Å; N302-R304 WeakPolarHBondContact OD1-CB 3.34Å; N302-R304 PolarHBondContact OD1-N 2.95Å; R304-C306 PolarHBondContact O-N 3.06Å; R304-S329 CarbonylContact C-O 3.36Å; R304-S329 VanDerWaalsContact CA-O 3.26Å; R304-S329 WeakPolarHBondContact CA-O 3.13Å; R304-S329 WeakPolarHBondContact CD-OG 3.28Å; R304-S329 WeakPolarHBondContact CG-OG 3.35Å; R304-E330 IonicContact CZ-OE1 3.32Å; R304-E330 IonicContact NE-OE1 3.9Å; R304-E330 PolarHBondContact NE-OE1 2.84Å; R304-E330 IonicContact NH2-OE1 2.76Å; R304-E330 PolarHBondContact NH2-OE1 3.24Å
305	G	79.9	Confident	80.3	Confident	8 Å²	8	54.2 Å²	54.2	8%	0.082	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	15.2	175.5	0	0	0	0	0	115.2	M303 Q307 S329	M303-G305 PolarHBondContact O-N 3.15Å; G305-Q307 VanDerWaalsContact C-N 3.34Å; G305-Q307 PolarHBondContact O-N 3.28Å; G305-S329 PolarHBondContact N-O 3Å
306	C	80.3	Confident	80.3	Confident	6 Å²	6	50.9 Å²	50.9	4%	0.041	25%	0.251	C	S	.	.			trans	-75.3	83.2	176.7	-68.5	0	0	0	0	110.8	M303 R304 T309	M303-C306 HydrophobicContact CE-CB 4.21Å; M303-C306 VanDerWaalsContact O-CB 3.26Å; M303-C306 WeakPolarHBondContact O-CB 3.2Å; M303-C306 PolarHBondContact O-N 3.08Å; M303-C306 VanDerWaalsContact O-N 3.12Å; M303-C306 PolarHBondContact O-SG 2.98Å; R304-C306 PolarHBondContact O-N 3.06Å; C306-T309 HydrophobicContact CB-CG2 4.34Å; C306-T309 PolarHBondContact O-OG1 2.89Å; C306-T309 VanDerWaalsContact O-OG1 3.05Å
307	Q	70.3	Confident	80.4	Confident	149 Å²	149	47.5 Å²	47.5	70%	0.696	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-25.6	-176.5	-64.1	-177.1	-3	0	0	113.9	G305 T309	G305-Q307 VanDerWaalsContact C-N 3.34Å; G305-Q307 PolarHBondContact O-N 3.28Å; Q307-T309 VanDerWaalsContact C-N 3.28Å; Q307-T309 PolarHBondContact O-N 2.99Å
308	S	66.4	Low	80.5	Confident	75 Å²	75	43.9 Å²	43.9	52%	0.524	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-9.7	-177.1	-172.7	0	0	0	0	113.7
309	T	64.8	Low	80.5	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.031	23%	0.234	C	C	.	.			trans	-88.7	117.4	-173.6	52.1	0	0	0	0	112	D284 V287 M303 C306 Q307	D284-T309 VanDerWaalsContact OD1-C 3.29Å; D284-T309 WeakPolarHBondContact OD1-CA 3.37Å; D284-T309 WeakPolarHBondContact OD1-CB 3.09Å; V287-T309 HydrophobicContact CG2-CG2 4.03Å; M303-T309 HydrophobicContact CE-CG2 3.99Å; C306-T309 HydrophobicContact CB-CG2 4.34Å; C306-T309 PolarHBondContact O-OG1 2.89Å; C306-T309 VanDerWaalsContact O-OG1 3.05Å; Q307-T309 VanDerWaalsContact C-N 3.28Å; Q307-T309 PolarHBondContact O-N 2.99Å
310	K	70.8	Confident	80.4	Confident	149 Å²	149	46.2 Å²	46.2	65%	0.648	23%	0.225	S	C	*	.			trans	-87.8	162.9	175.2	-56.6	176.4	179.9	179.2	0	111.1	D284 S312 S313	D284-K310 PolarHBondContact OD1-N 3.49Å; D284-K310 WeakPolarHBondContact OD2-CB 3.16Å; D284-K310 WeakPolarHBondContact OD2-CG 3.1Å; D284-K310 PolarHBondContact OD2-N 3.16Å; K310-S312 PolarHBondContact O-N 3.01Å; K310-S313 PolarHBondContact O-N 3.15Å; K310-S313 PolarHBondContact O-OG 2.86Å
311	W	66.2	Low	80.3	Confident	82 Å²	82	53.4 Å²	53.4	31%	0.311	25%	0.251	S	S	.	.	H	α-helix	trans	-49.4	-32.5	179.5	-177.2	-130.7	0	0	0	115.9	S313 L314 K315 M338 R341	W311-S313 PolarHBondContact O-N 3.44Å; W311-S313 VanDerWaalsContact O-N 3.09Å; W311-L314 HydrophobicContact CE3-CB 3.59Å; W311-L314 HydrophobicContact CE3-CD1 4.4Å; W311-L314 HydrophobicContact CZ3-CB 3.81Å; W311-L314 PolarHBondContact O-N 3.21Å; W311-L314 VanDerWaalsContact O-N 3.11Å; W311-K315 HydrophobicContact CZ2-CB 4.39Å; W311-K315 PolarHBondContact O-N 3.45Å; W311-M338 HydrophobicContact CB-CE 3.51Å; W311-M338 HydrophobicContact CB-SD 4.12Å; W311-M338 HydrophobicContact CD2-CB 4.35Å; W311-M338 HydrophobicContact CD2-CE 4.03Å; W311-M338 HydrophobicContact CD2-CG 3.55Å; W311-M338 HydrophobicContact CD2-SD 3.8Å; W311-M338 HydrophobicContact CE3-CB 3.54Å; W311-M338 HydrophobicContact CE3-CE 4.08Å; W311-M338 HydrophobicContact CE3-CG 3.1Å; W311-M338 HydrophobicContact CE3-SD 3.23Å; W311-M338 HydrophobicContact CG-CE 3.81Å; W311-M338 HydrophobicContact CG-CG 4.3Å; W311-M338 HydrophobicContact CG-SD 4.18Å; W311-M338 VanDerWaalsContact CH2-CA 3.41Å; W311-M338 HydrophobicContact CH2-CB 3.76Å; W311-M338 HydrophobicContact CH2-CG 3.99Å; W311-M338 HydrophobicContact CZ2-CB 4.49Å; W311-M338 HydrophobicContact CZ2-CG 4.32Å; W311-M338 VanDerWaalsContact CZ3-CA 3.46Å; W311-M338 HydrophobicContact CZ3-CB 3.21Å; W311-M338 HydrophobicContact CZ3-CG 3.38Å; W311-M338 HydrophobicContact CZ3-SD 3.97Å; W311-R341 HydrophobicContact CH2-CB 3.91Å; W311-R341 HydrophobicContact CH2-CG 4.33Å; W311-R341 HydrophobicContact CZ2-CB 4.19Å; W311-R341 HydrophobicContact CZ2-CG 4.13Å
312	S	68.8	Low	80.2	Confident	63 Å²	63	57.2 Å²	57.2	44%	0.441	27%	0.271	S	S	.	.	H	α-helix	trans	-55.8	-27.6	179.6	42.4	0	0	0	0	113.6	K310	K310-S312 PolarHBondContact O-N 3.01Å
313	S	67.9	Low	80.5	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-91.8	-35.3	175.1	66.4	0	0	0	0	113.1	D284 K310 W311 K315 Y316	D284-S313 WeakPolarHBondContact OD1-CB 3.43Å; D284-S313 PolarHBondContact OD1-OG 3.21Å; K310-S313 PolarHBondContact O-N 3.15Å; K310-S313 PolarHBondContact O-OG 2.86Å; W311-S313 PolarHBondContact O-N 3.44Å; W311-S313 VanDerWaalsContact O-N 3.09Å; S313-K315 VanDerWaalsContact C-N 3.32Å; S313-K315 PolarHBondContact O-N 2.86Å; S313-Y316 WeakPolarHBondContact O-CD2 3.38Å; S313-Y316 PolarHBondContact O-N 3.4Å
314	L	69.9	Low	80.9	Confident	7 Å²	7	59 Å²	59	4%	0.037	28%	0.278	C	S	.	.	H	α-helix	trans	-69.8	-22.9	-176.9	-63.2	177.2	0	0	0	113.8	M303 W311 Y316 I317 M338	M303-L314 HydrophobicContact CE-CD2 3.55Å; M303-L314 HydrophobicContact SD-CD2 3.84Å; W311-L314 HydrophobicContact CE3-CB 3.59Å; W311-L314 HydrophobicContact CE3-CD1 4.4Å; W311-L314 HydrophobicContact CZ3-CB 3.81Å; W311-L314 PolarHBondContact O-N 3.21Å; W311-L314 VanDerWaalsContact O-N 3.11Å; L314-Y316 PolarHBondContact O-N 2.77Å; L314-Y316 VanDerWaalsContact O-N 3.13Å; L314-I317 HydrophobicContact CB-CD1 4.31Å; L314-I317 HydrophobicContact CD2-CD1 3.53Å; L314-I317 WeakPolarHBondContact O-CB 3.42Å; L314-I317 WeakPolarHBondContact O-CG1 3.4Å; L314-I317 PolarHBondContact O-N 2.99Å; L314-M338 HydrophobicContact CD1-SD 4.07Å
315	K	80.3	Confident	81.4	Confident	88 Å²	88	56.9 Å²	56.9	38%	0.383	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-30.1	173.7	73.4	178	-177.7	176.9	0	113.1	W311 S313 I317 S318	W311-K315 HydrophobicContact CZ2-CB 4.39Å; W311-K315 PolarHBondContact O-N 3.45Å; S313-K315 VanDerWaalsContact C-N 3.32Å; S313-K315 PolarHBondContact O-N 2.86Å; K315-I317 PolarHBondContact O-N 3.01Å; K315-S318 WeakPolarHBondContact O-CB 3.24Å; K315-S318 PolarHBondContact O-N 3.15Å; K315-S318 VanDerWaalsContact O-N 3.13Å; K315-S318 PolarHBondContact O-OG 3.5Å
316	Y	86.4	Confident	82.2	Confident	20 Å²	20	56.5 Å²	56.5	8%	0.078	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-17.1	178.7	-66	-70.2	0	0	0	112.9	Q288 K292 S313 L314 S318 E319 C320	Q288-Y316 HydrophobicContact CB-CD2 4.23Å; Q288-Y316 HydrophobicContact CB-CE2 4.16Å; Q288-Y316 HydrophobicContact CG-CD2 4.01Å; Q288-Y316 HydrophobicContact CG-CE2 3.52Å; K292-Y316 HydrophobicContact CD-CE1 4.19Å; K292-Y316 WeakPolarHBondContact CE-OH 3.39Å; K292-Y316 HydrophobicContact CG-CD1 3.85Å; K292-Y316 HydrophobicContact CG-CE1 3.65Å; K292-Y316 HydrophobicContact CG-CG 4.41Å; K292-Y316 PolarHBondContact NZ-OH 3.05Å; S313-Y316 WeakPolarHBondContact O-CD2 3.38Å; S313-Y316 PolarHBondContact O-N 3.4Å; L314-Y316 PolarHBondContact O-N 2.77Å; L314-Y316 VanDerWaalsContact O-N 3.13Å; Y316-S318 VanDerWaalsContact C-N 3.35Å; Y316-E319 PolarHBondContact O-N 3.06Å; Y316-C320 PolarHBondContact O-SG 2.8Å
317	I	90	Very high	82.8	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-43.5	170.9	-57.2	177.6	0	0	0	109.4	L291 L301 M303 L314 K315 E319 C320 L323 L326 I342 C346	L291-I317 HydrophobicContact CD1-CG1 3.82Å; L301-I317 HydrophobicContact CD2-CB 4.5Å; L301-I317 HydrophobicContact CD2-CD1 3.84Å; L301-I317 HydrophobicContact CD2-CG1 3.73Å; L301-I317 HydrophobicContact CD2-CG2 4.12Å; M303-I317 HydrophobicContact SD-CD1 3.72Å; L314-I317 HydrophobicContact CB-CD1 4.31Å; L314-I317 HydrophobicContact CD2-CD1 3.53Å; L314-I317 WeakPolarHBondContact O-CB 3.42Å; L314-I317 WeakPolarHBondContact O-CG1 3.4Å; L314-I317 PolarHBondContact O-N 2.99Å; K315-I317 PolarHBondContact O-N 3.01Å; I317-E319 PolarHBondContact O-N 3.01Å; I317-C320 VanDerWaalsContact O-CB 3.24Å; I317-C320 WeakPolarHBondContact O-CB 3.36Å; I317-C320 PolarHBondContact O-N 2.85Å; I317-L323 HydrophobicContact CG2-CD2 3.77Å; I317-L326 HydrophobicContact CG2-CD1 4.23Å; I317-L326 HydrophobicContact CG2-CD2 3.99Å; I317-I342 HydrophobicContact CB-CD1 4.45Å; I317-I342 HydrophobicContact CB-CG1 4.32Å; I317-I342 HydrophobicContact CG2-CD1 4.32Å; I317-I342 HydrophobicContact CG2-CG1 4.22Å; I317-I342 HydrophobicContact CG2-CG2 4.21Å; I317-C346 PolarHBondContact O-SG 3.38Å
318	S	89.9	Confident	83.9	Confident	27 Å²	27	50.3 Å²	50.3	19%	0.189	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-15.6	176.8	72	0	0	0	0	113.8	K315 Y316 R341 G345	K315-S318 WeakPolarHBondContact O-CB 3.24Å; K315-S318 PolarHBondContact O-N 3.15Å; K315-S318 VanDerWaalsContact O-N 3.13Å; K315-S318 PolarHBondContact O-OG 3.5Å; Y316-S318 VanDerWaalsContact C-N 3.35Å; S318-R341 WeakPolarHBondContact CB-O 3.41Å; S318-G345 CarbonylContact O-C 3.46Å; S318-G345 WeakPolarHBondContact O-CA 3.43Å
319	E	91.4	Very high	85.1	Confident	79 Å²	79	47 Å²	47	37%	0.369	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-6.2	174.8	-59.1	178.1	-158.3	0	0	112.8	R295 Y316 I317 R321	R295-E319 IonicContact CZ-OE2 3.09Å; R295-E319 IonicContact NE-OE2 2.89Å; Y316-E319 PolarHBondContact O-N 3.06Å; I317-E319 PolarHBondContact O-N 3.01Å; E319-R321 PolarHBondContact O-N 2.94Å; E319-R321 VanDerWaalsContact O-N 3.12Å
320	C	92.3	Very high	86.1	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.229	C	C	.	.			trans	-83.4	79.1	178.3	-60.2	0	0	0	0	110.3	Y316 I317 N322 L323 C346	Y316-C320 PolarHBondContact O-SG 2.8Å; I317-C320 VanDerWaalsContact O-CB 3.24Å; I317-C320 WeakPolarHBondContact O-CB 3.36Å; I317-C320 PolarHBondContact O-N 2.85Å; C320-N322 PolarHBondContact O-N 3.04Å; C320-L323 HydrophobicContact CB-CB 4.04Å; C320-L323 WeakPolarHBondContact O-CB 3.36Å; C320-L323 PolarHBondContact O-N 3.34Å; C320-L323 VanDerWaalsContact O-N 3.1Å; C320-C346 PolarHBondContact O-SG 2.84Å
321	R	91.3	Very high	86.8	Confident	193 Å²	193	42.7 Å²	42.7	73%	0.728	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.5	-174.1	-65.6	-172.1	178.3	177.1	-1.1	115.1	E319 L323	E319-R321 PolarHBondContact O-N 2.94Å; E319-R321 VanDerWaalsContact O-N 3.12Å; R321-L323 VanDerWaalsContact C-N 3.33Å
322	N	92.1	Very high	87.6	Confident	84 Å²	84	43.4 Å²	43.4	45%	0.449	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	7.1	178.9	-66.1	-32.5	0	0	0	112.9	P296 V298 C320 Q324	P296-N322 PolarHBondContact O-ND2 2.8Å; V298-N322 CarbonylContact O-C 3.57Å; C320-N322 PolarHBondContact O-N 3.04Å; N322-Q324 PolarHBondContact O-N 3.09Å
323	L	95.4	Very high	88.3	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.21	C	C	.	.			trans	-66.1	124.2	-178.5	-170.2	68	0	0	0	110.3	V298 L301 I317 C320 R321 L326 C346 C348 L349	V298-L323 HydrophobicContact CG1-CD1 3.92Å; L301-L323 HydrophobicContact CB-CD1 3.81Å; I317-L323 HydrophobicContact CG2-CD2 3.77Å; C320-L323 HydrophobicContact CB-CB 4.04Å; C320-L323 WeakPolarHBondContact O-CB 3.36Å; C320-L323 PolarHBondContact O-N 3.34Å; C320-L323 VanDerWaalsContact O-N 3.1Å; R321-L323 VanDerWaalsContact C-N 3.33Å; L323-L326 HydrophobicContact CD2-CB 4.06Å; L323-L326 HydrophobicContact CD2-CD1 4.3Å; L323-L326 HydrophobicContact CD2-CD2 4.06Å; L323-L326 HydrophobicContact CD2-CG 4.37Å; L323-C346 HydrophobicContact CB-CB 4.32Å; L323-C346 HydrophobicContact CD2-CB 4.47Å; L323-C348 CarbonylContact O-C 3.36Å; L323-L349 HydrophobicContact CB-CD2 4.46Å; L323-L349 HydrophobicContact CD2-CD2 4.1Å; L323-L349 HydrophobicContact CG-CD2 3.92Å; L323-L349 PolarHBondContact O-N 3.08Å
324	Q	96.7	Very high	89.2	Confident	78 Å²	78	43.2 Å²	43.2	36%	0.364	21%	0.211	S	C	.	.			trans	-111.5	-37.2	-179.5	-68	174.7	8.6	0	0	111.2	T299 N322 L350 Y351	T299-Q324 PolarHBondContact O-N 2.96Å; N322-Q324 PolarHBondContact O-N 3.09Å; Q324-L350 HydrophobicContact CB-CD1 4.45Å; Q324-L350 HydrophobicContact CB-CG 4.39Å; Q324-L350 PolarHBondContact O-N 3.37Å; Q324-Y351 PolarHBondContact O-N 3.39Å
325	E	97.9	Very high	90.2	Very high	82 Å²	82	46.2 Å²	46.2	38%	0.383	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	124.8	179	-52.9	-164.6	174.8	0	0	111.8	T299 H300 L301 Y351	T299-E325 PolarHBondContact O-N 3.45Å; H300-E325 WeakPolarHBondContact CA-O 3.28Å; H300-E325 HydrophobicContact CB-CB 4.28Å; H300-E325 IonicContact CD2-OE1 2.73Å; H300-E325 IonicContact CD2-OE2 3.71Å; H300-E325 PolarHBondContact CD2-OE2 2.96Å; H300-E325 IonicContact NE2-OE1 3.69Å; H300-E325 IonicContact NE2-OE2 3.53Å; L301-E325 PolarHBondContact N-O 2.6Å; E325-Y351 HydrophobicContact CB-CD1 4.29Å; E325-Y351 HydrophobicContact CB-CG 4.42Å; E325-Y351 HydrophobicContact CG-CG 4.48Å
326	L	96.5	Very high	90.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	118.1	177.6	-179.3	56.7	0	0	0	110.7	L301 I317 L323 L328 I342 L349 Y351 L352 N353	L301-L326 HydrophobicContact CB-CD1 4.08Å; L301-L326 HydrophobicContact CD2-CD1 3.97Å; L301-L326 HydrophobicContact CG-CD1 4.1Å; L301-L326 WeakPolarHBondContact O-CA 3.36Å; I317-L326 HydrophobicContact CG2-CD1 4.23Å; I317-L326 HydrophobicContact CG2-CD2 3.99Å; L323-L326 HydrophobicContact CD2-CB 4.06Å; L323-L326 HydrophobicContact CD2-CD1 4.3Å; L323-L326 HydrophobicContact CD2-CD2 4.06Å; L323-L326 HydrophobicContact CD2-CG 4.37Å; L326-L328 HydrophobicContact CD1-CD1 4.2Å; L326-L328 HydrophobicContact CD1-CD2 4.22Å; L326-L328 HydrophobicContact CD1-CG 3.85Å; L326-L328 HydrophobicContact CD2-CD1 3.69Å; L326-L328 HydrophobicContact CD2-CG 4.23Å; L326-L328 HydrophobicContact CG-CD1 3.87Å; L326-L328 HydrophobicContact CG-CG 3.85Å; L326-I342 HydrophobicContact CD2-CG2 3.59Å; L326-L349 HydrophobicContact CB-CD2 3.89Å; L326-Y351 PolarHBondContact N-O 2.95Å; L326-L352 HydrophobicContact CB-CD1 4.1Å; L326-L352 HydrophobicContact CD2-CD1 4.04Å; L326-L352 HydrophobicContact CG-CD1 4.1Å; L326-L352 WeakPolarHBondContact O-CA 3.41Å; L326-N353 PolarHBondContact O-N 2.91Å
327	N	93.8	Very high	91.1	Very high	23 Å²	23	46.7 Å²	46.7	12%	0.123	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	115.3	172.3	-170.5	-18.4	0	0	0	110.4	L301 N302 M303 S329 Y351 N353	L301-N327 PolarHBondContact O-N 3.17Å; N302-N327 HydrophobicContact CB-CB 4.4Å; M303-N327 WeakPolarHBondContact CA-O 3.49Å; M303-N327 PolarHBondContact N-O 2.84Å; N327-S329 WeakPolarHBondContact OD1-CB 3.46Å; N327-S329 PolarHBondContact OD1-N 3.26Å; N327-S329 PolarHBondContact OD1-OG 3.11Å; N327-Y351 HydrophobicContact CB-CE1 4.38Å; N327-N353 HydrophobicContact CB-CB 4.46Å
328	L	93	Very high	91.1	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	24%	0.241	C	C	.	.			trans	-123.1	18.9	-178.3	-76.4	175.1	0	0	0	111.4	M303 L326 C331 I334 I339 I342 N353 L354	M303-L328 HydrophobicContact CB-CD2 4.04Å; M303-L328 HydrophobicContact SD-CD2 4.48Å; L326-L328 HydrophobicContact CD1-CD1 4.2Å; L326-L328 HydrophobicContact CD1-CD2 4.22Å; L326-L328 HydrophobicContact CD1-CG 3.85Å; L326-L328 HydrophobicContact CD2-CD1 3.69Å; L326-L328 HydrophobicContact CD2-CG 4.23Å; L326-L328 HydrophobicContact CG-CD1 3.87Å; L326-L328 HydrophobicContact CG-CG 3.85Å; L328-C331 VanDerWaalsContact O-CB 3.28Å; L328-C331 WeakPolarHBondContact O-CB 3.42Å; L328-C331 PolarHBondContact O-N 3.15Å; L328-I334 HydrophobicContact CB-CD1 3.57Å; L328-I334 HydrophobicContact CD1-CD1 3.98Å; L328-I334 HydrophobicContact CD2-CD1 4.01Å; L328-I334 HydrophobicContact CG-CD1 4.06Å; L328-I339 HydrophobicContact CD1-CD1 4.16Å; L328-I342 HydrophobicContact CD1-CD1 4.18Å; L328-N353 CarbonylContact C-O 3.39Å; L328-N353 WeakPolarHBondContact CA-O 3.39Å; L328-N353 PolarHBondContact N-O 2.94Å; L328-L354 HydrophobicContact CB-CD2 3.91Å; L328-L354 HydrophobicContact CD1-CD2 4.1Å
329	S	91.1	Very high	91.3	Very high	5 Å²	5	46.4 Å²	46.4	4%	0.035	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	151	-177.7	66.6	0	0	0	0	112.6	R304 G305 N327 C331 N353 S355	R304-S329 CarbonylContact C-O 3.36Å; R304-S329 VanDerWaalsContact CA-O 3.26Å; R304-S329 WeakPolarHBondContact CA-O 3.13Å; R304-S329 WeakPolarHBondContact CD-OG 3.28Å; R304-S329 WeakPolarHBondContact CG-OG 3.35Å; G305-S329 PolarHBondContact N-O 3Å; N327-S329 WeakPolarHBondContact OD1-CB 3.46Å; N327-S329 PolarHBondContact OD1-N 3.26Å; N327-S329 PolarHBondContact OD1-OG 3.11Å; S329-C331 PolarHBondContact O-N 3.2Å; S329-C331 VanDerWaalsContact O-N 3.11Å; S329-N353 PolarHBondContact N-O 3.21Å; S329-S355 CarbonylContact C-O 3.43Å; S329-S355 WeakPolarHBondContact CA-O 3.5Å; S329-S355 VanDerWaalsContact CB-O 3.23Å; S329-S355 WeakPolarHBondContact CB-O 3.26Å
330	E	86.4	Confident	91.4	Very high	58 Å²	58	45.2 Å²	45.2	27%	0.271	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	15.3	-177.1	-58.1	168.5	-141.9	0	0	114.5	R304 L332 S355 Y356	R304-E330 IonicContact CZ-OE1 3.32Å; R304-E330 IonicContact NE-OE1 3.9Å; R304-E330 PolarHBondContact NE-OE1 2.84Å; R304-E330 IonicContact NH2-OE1 2.76Å; R304-E330 PolarHBondContact NH2-OE1 3.24Å; E330-L332 PolarHBondContact O-N 2.99Å; E330-S355 PolarHBondContact N-O 3.46Å; E330-Y356 HydrophobicContact CG-CD2 4.35Å; E330-Y356 HydrophobicContact CG-CG 4.23Å
331	C	86.1	Confident	91.5	Very high	6 Å²	6	51.4 Å²	51.4	4%	0.041	25%	0.25	C	C	.	.			trans	-95.1	84.1	175	-68.9	0	0	0	0	110.9	M303 L328 S329 A333 I334	M303-C331 PolarHBondContact O-SG 3.08Å; L328-C331 VanDerWaalsContact O-CB 3.28Å; L328-C331 WeakPolarHBondContact O-CB 3.42Å; L328-C331 PolarHBondContact O-N 3.15Å; S329-C331 PolarHBondContact O-N 3.2Å; S329-C331 VanDerWaalsContact O-N 3.11Å; C331-A333 PolarHBondContact O-N 2.91Å; C331-A333 VanDerWaalsContact O-N 3.1Å; C331-I334 HydrophobicContact CB-CD1 3.44Å; C331-I334 VanDerWaalsContact CB-CD1 3.44Å; C331-I334 HydrophobicContact CB-CG1 3.9Å; C331-I334 WeakPolarHBondContact O-CG1 3.14Å; C331-I334 PolarHBondContact O-N 2.86Å
332	L	83	Confident	91.6	Very high	97 Å²	97	42.4 Å²	42.4	51%	0.508	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.2	-175.2	-60.4	176.3	0	0	0	115	E330 I334 Y356	E330-L332 PolarHBondContact O-N 2.99Å; L332-I334 VanDerWaalsContact C-N 3.27Å; L332-I334 PolarHBondContact O-N 3.4Å; L332-Y356 WeakPolarHBondContact CD2-O 3.29Å
333	A	82.8	Confident	91.7	Very high	53 Å²	53	38.5 Å²	38.5	44%	0.438	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-4.7	-179.7	0	0	0	0	0	114.1	C331 M338	C331-A333 PolarHBondContact O-N 2.91Å; C331-A333 VanDerWaalsContact O-N 3.1Å; A333-M338 WeakPolarHBondContact O-CE 3.34Å
334	I	87.1	Confident	91.6	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.031	22%	0.215	C	C	.	.			trans	-72.3	132	-179.9	-66.8	172.3	0	0	0	110.1	L328 C331 L332 I339 T357 I359	L328-I334 HydrophobicContact CB-CD1 3.57Å; L328-I334 HydrophobicContact CD1-CD1 3.98Å; L328-I334 HydrophobicContact CD2-CD1 4.01Å; L328-I334 HydrophobicContact CG-CD1 4.06Å; C331-I334 HydrophobicContact CB-CD1 3.44Å; C331-I334 VanDerWaalsContact CB-CD1 3.44Å; C331-I334 HydrophobicContact CB-CG1 3.9Å; C331-I334 WeakPolarHBondContact O-CG1 3.14Å; C331-I334 PolarHBondContact O-N 2.86Å; L332-I334 VanDerWaalsContact C-N 3.27Å; L332-I334 PolarHBondContact O-N 3.4Å; I334-I339 HydrophobicContact CG2-CD1 3.57Å; I334-I339 HydrophobicContact CG2-CG1 3.61Å; I334-T357 HydrophobicContact CD1-CG2 4.21Å; I334-I359 HydrophobicContact CG2-CG2 4.36Å
335	T	89.9	Confident	91.4	Very high	70 Å²	70	39.8 Å²	39.8	43%	0.429	21%	0.206	S	C	.	.			trans	-117.4	164	174.3	70.9	0	0	0	0	111.5	M337 M338 I339	T335-M337 VanDerWaalsContact C-N 3.26Å; T335-M337 PolarHBondContact O-N 3.18Å; T335-M338 HydrophobicContact CG2-CE 3.96Å; T335-M338 WeakPolarHBondContact O-CA 3.36Å; T335-M338 VanDerWaalsContact O-CB 3.24Å; T335-M338 WeakPolarHBondContact O-CB 3.33Å; T335-M338 PolarHBondContact O-N 3.28Å; T335-M338 WeakPolarHBondContact OG1-CG 3.49Å; T335-I339 PolarHBondContact O-N 3.39Å
336	D	93.5	Very high	91.2	Very high	23 Å²	23	35.9 Å²	35.9	12%	0.123	19%	0.188	C	C	.	.	H	α-helix	trans	-59.5	-36.7	-178	-61.5	-46	0	0	0	113.4	M338 I339 Q340 T360 Q362 S363	D336-M338 PolarHBondContact O-N 3.03Å; D336-I339 PolarHBondContact O-N 3.28Å; D336-Q340 WeakPolarHBondContact O-CB 3.47Å; D336-Q340 PolarHBondContact O-N 3.47Å; D336-T360 VanDerWaalsContact CG-OG1 3.23Å; D336-T360 PolarHBondContact OD1-N 3.22Å; D336-T360 PolarHBondContact OD1-OG1 2.92Å; D336-T360 WeakPolarHBondContact OD2-CB 3.42Å; D336-T360 VanDerWaalsContact OD2-CG2 3.27Å; D336-T360 WeakPolarHBondContact OD2-CG2 3.44Å; D336-T360 PolarHBondContact OD2-OG1 3.25Å; D336-Q362 HydrophobicContact CB-CB 3.97Å; D336-Q362 HydrophobicContact CB-CG 4.05Å; D336-S363 WeakPolarHBondContact CA-OG 3.21Å; D336-S363 WeakPolarHBondContact OD1-CB 3.42Å; D336-S363 PolarHBondContact OD1-N 3.46Å; D336-S363 PolarHBondContact OD1-OG 3.08Å
337	M	92	Very high	90.9	Very high	95 Å²	95	39.1 Å²	39.1	47%	0.468	21%	0.209	S	C	.	.	H	α-helix	trans	-60.9	-33.7	174.8	-175	60.8	60.2	0	0	111.7	T335 R341	T335-M337 VanDerWaalsContact C-N 3.26Å; T335-M337 PolarHBondContact O-N 3.18Å; M337-R341 VanDerWaalsContact O-CG 3.27Å; M337-R341 WeakPolarHBondContact O-CG 3.48Å; M337-R341 PolarHBondContact O-N 2.87Å
338	M	90.9	Very high	90.9	Very high	19 Å²	19	40.7 Å²	40.7	9%	0.094	22%	0.221	C	C	.	.	H	α-helix	trans	-69	-49.1	178.3	-56	-169.5	-168.9	0	0	111.2	W311 L314 A333 T335 D336 Q340 R341 I342	W311-M338 HydrophobicContact CB-CE 3.51Å; W311-M338 HydrophobicContact CB-SD 4.12Å; W311-M338 HydrophobicContact CD2-CB 4.35Å; W311-M338 HydrophobicContact CD2-CE 4.03Å; W311-M338 HydrophobicContact CD2-CG 3.55Å; W311-M338 HydrophobicContact CD2-SD 3.8Å; W311-M338 HydrophobicContact CE3-CB 3.54Å; W311-M338 HydrophobicContact CE3-CE 4.08Å; W311-M338 HydrophobicContact CE3-CG 3.1Å; W311-M338 HydrophobicContact CE3-SD 3.23Å; W311-M338 HydrophobicContact CG-CE 3.81Å; W311-M338 HydrophobicContact CG-CG 4.3Å; W311-M338 HydrophobicContact CG-SD 4.18Å; W311-M338 VanDerWaalsContact CH2-CA 3.41Å; W311-M338 HydrophobicContact CH2-CB 3.76Å; W311-M338 HydrophobicContact CH2-CG 3.99Å; W311-M338 HydrophobicContact CZ2-CB 4.49Å; W311-M338 HydrophobicContact CZ2-CG 4.32Å; W311-M338 VanDerWaalsContact CZ3-CA 3.46Å; W311-M338 HydrophobicContact CZ3-CB 3.21Å; W311-M338 HydrophobicContact CZ3-CG 3.38Å; W311-M338 HydrophobicContact CZ3-SD 3.97Å; L314-M338 HydrophobicContact CD1-SD 4.07Å; A333-M338 WeakPolarHBondContact O-CE 3.34Å; T335-M338 HydrophobicContact CG2-CE 3.96Å; T335-M338 WeakPolarHBondContact O-CA 3.36Å; T335-M338 VanDerWaalsContact O-CB 3.24Å; T335-M338 WeakPolarHBondContact O-CB 3.33Å; T335-M338 PolarHBondContact O-N 3.28Å; T335-M338 WeakPolarHBondContact OG1-CG 3.49Å; D336-M338 PolarHBondContact O-N 3.03Å; M338-Q340 VanDerWaalsContact C-N 3.33Å; M338-Q340 PolarHBondContact O-N 3.27Å; M338-R341 PolarHBondContact O-N 3.45Å; M338-I342 VanDerWaalsContact O-CG1 3.32Å; M338-I342 WeakPolarHBondContact O-CG1 3.25Å; M338-I342 PolarHBondContact O-N 3.21Å
339	I	94.2	Very high	91.1	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-60.6	-46.2	178.3	-64.9	-53.2	0	0	0	110.2	L328 I334 T335 D336 R341 I342 T343 L354 I359 I367	L328-I339 HydrophobicContact CD1-CD1 4.16Å; I334-I339 HydrophobicContact CG2-CD1 3.57Å; I334-I339 HydrophobicContact CG2-CG1 3.61Å; T335-I339 PolarHBondContact O-N 3.39Å; D336-I339 PolarHBondContact O-N 3.28Å; I339-R341 VanDerWaalsContact C-N 3.32Å; I339-R341 PolarHBondContact O-N 3.37Å; I339-I342 PolarHBondContact O-N 3.34Å; I339-I342 VanDerWaalsContact O-N 3.08Å; I339-T343 HydrophobicContact CG2-CG2 4Å; I339-T343 WeakPolarHBondContact O-CG2 3.46Å; I339-T343 PolarHBondContact O-N 3.27Å; I339-T343 PolarHBondContact O-OG1 2.9Å; I339-T343 VanDerWaalsContact O-OG1 3.12Å; I339-L354 HydrophobicContact CD1-CD1 4.25Å; I339-L354 HydrophobicContact CD1-CD2 3.56Å; I339-L354 HydrophobicContact CG1-CD2 4.46Å; I339-I359 HydrophobicContact CG1-CG2 4.12Å; I339-I367 HydrophobicContact CG2-CD1 4Å; I339-I367 HydrophobicContact CG2-CG1 3.82Å
340	Q	94.2	Very high	91.3	Very high	53 Å²	53	43 Å²	43	25%	0.248	23%	0.233	C	C	.	.	H	α-helix	trans	-53.5	-48.8	176.8	-179.7	179.4	-8.1	0	0	112.1	D336 M338 I342 T343 E344 A366	D336-Q340 WeakPolarHBondContact O-CB 3.47Å; D336-Q340 PolarHBondContact O-N 3.47Å; M338-Q340 VanDerWaalsContact C-N 3.33Å; M338-Q340 PolarHBondContact O-N 3.27Å; Q340-I342 VanDerWaalsContact C-N 3.35Å; Q340-I342 PolarHBondContact O-N 3.31Å; Q340-T343 WeakPolarHBondContact CA-OG1 3.32Å; Q340-T343 PolarHBondContact O-N 3.15Å; Q340-T343 PolarHBondContact O-OG1 3.27Å; Q340-E344 VanDerWaalsContact CG-OE1 3.28Å; Q340-E344 WeakPolarHBondContact CG-OE1 3.31Å; Q340-E344 PolarHBondContact NE2-OE1 2.68Å; Q340-E344 WeakPolarHBondContact O-CB 3.44Å; Q340-E344 VanDerWaalsContact O-CG 3.24Å; Q340-E344 WeakPolarHBondContact O-CG 3.47Å; Q340-E344 PolarHBondContact O-N 3.37Å; Q340-A366 HydrophobicContact CB-CB 3.98Å; Q340-A366 HydrophobicContact CG-CB 4.11Å
341	R	93.4	Very high	91.9	Very high	130 Å²	130	42.6 Å²	42.6	49%	0.491	23%	0.229	S	C	.	.	H	α-helix	trans	-63.4	-40	177.8	-69.9	-67	-172.9	-178.2	2	112.6	W311 S318 M337 M338 I339 E344 G345	W311-R341 HydrophobicContact CH2-CB 3.91Å; W311-R341 HydrophobicContact CH2-CG 4.33Å; W311-R341 HydrophobicContact CZ2-CB 4.19Å; W311-R341 HydrophobicContact CZ2-CG 4.13Å; S318-R341 WeakPolarHBondContact CB-O 3.41Å; M337-R341 VanDerWaalsContact O-CG 3.27Å; M337-R341 WeakPolarHBondContact O-CG 3.48Å; M337-R341 PolarHBondContact O-N 2.87Å; M338-R341 PolarHBondContact O-N 3.45Å; I339-R341 VanDerWaalsContact C-N 3.32Å; I339-R341 PolarHBondContact O-N 3.37Å; R341-E344 IonicContact NH1-OE2 2.76Å; R341-G345 PolarHBondContact O-N 3.31Å
342	I	94	Very high	92.5	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-64.1	-47	177.4	-70.8	167.7	0	0	0	110.3	I317 L326 L328 M338 I339 Q340 E344 G345 C346	I317-I342 HydrophobicContact CB-CD1 4.45Å; I317-I342 HydrophobicContact CB-CG1 4.32Å; I317-I342 HydrophobicContact CG2-CD1 4.32Å; I317-I342 HydrophobicContact CG2-CG1 4.22Å; I317-I342 HydrophobicContact CG2-CG2 4.21Å; L326-I342 HydrophobicContact CD2-CG2 3.59Å; L328-I342 HydrophobicContact CD1-CD1 4.18Å; M338-I342 VanDerWaalsContact O-CG1 3.32Å; M338-I342 WeakPolarHBondContact O-CG1 3.25Å; M338-I342 PolarHBondContact O-N 3.21Å; I339-I342 PolarHBondContact O-N 3.34Å; I339-I342 VanDerWaalsContact O-N 3.08Å; Q340-I342 VanDerWaalsContact C-N 3.35Å; Q340-I342 PolarHBondContact O-N 3.31Å; I342-E344 VanDerWaalsContact C-N 3.34Å; I342-E344 PolarHBondContact O-N 3.29Å; I342-G345 PolarHBondContact O-N 3.28Å; I342-G345 VanDerWaalsContact O-N 3.14Å; I342-C346 VanDerWaalsContact O-CB 3.31Å; I342-C346 WeakPolarHBondContact O-CB 3.45Å; I342-C346 PolarHBondContact O-N 2.82Å
343	T	93.6	Very high	93.1	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.012	21%	0.208	C	C	.	.	H	α-helix	trans	-66.4	-35.8	-179.1	57	0	0	0	0	111.9	I339 Q340 G345 A366 I367 N370	I339-T343 HydrophobicContact CG2-CG2 4Å; I339-T343 WeakPolarHBondContact O-CG2 3.46Å; I339-T343 PolarHBondContact O-N 3.27Å; I339-T343 PolarHBondContact O-OG1 2.9Å; I339-T343 VanDerWaalsContact O-OG1 3.12Å; Q340-T343 WeakPolarHBondContact CA-OG1 3.32Å; Q340-T343 PolarHBondContact O-N 3.15Å; Q340-T343 PolarHBondContact O-OG1 3.27Å; T343-G345 VanDerWaalsContact C-N 3.33Å; T343-A366 PolarHBondContact OG1-O 2.99Å; T343-I367 HydrophobicContact CG2-CB 4.38Å; T343-I367 HydrophobicContact CG2-CG1 3.75Å; T343-N370 WeakPolarHBondContact O-CB 3.34Å; T343-N370 PolarHBondContact OG1-ND2 3.04Å
344	E	93.8	Very high	93.8	Very high	86 Å²	86	36 Å²	36	40%	0.402	19%	0.187	S	C	.	.	H	α-helix	trans	-65.1	-35	172.4	-74.4	168.6	-172.2	0	0	112.3	Q340 R341 I342	Q340-E344 VanDerWaalsContact CG-OE1 3.28Å; Q340-E344 WeakPolarHBondContact CG-OE1 3.31Å; Q340-E344 PolarHBondContact NE2-OE1 2.68Å; Q340-E344 WeakPolarHBondContact O-CB 3.44Å; Q340-E344 VanDerWaalsContact O-CG 3.24Å; Q340-E344 WeakPolarHBondContact O-CG 3.47Å; Q340-E344 PolarHBondContact O-N 3.37Å; R341-E344 IonicContact NH1-OE2 2.76Å; I342-E344 VanDerWaalsContact C-N 3.34Å; I342-E344 PolarHBondContact O-N 3.29Å
345	G	92.9	Very high	94.2	Very high	18 Å²	18	36.1 Å²	36.1	19%	0.186	19%	0.188	C	C	.	.	H	α-helix	trans	-88.7	-22.8	-175.3	0	0	0	0	0	115.6	S318 R341 I342 T343 P347	S318-G345 CarbonylContact O-C 3.46Å; S318-G345 WeakPolarHBondContact O-CA 3.43Å; R341-G345 PolarHBondContact O-N 3.31Å; I342-G345 PolarHBondContact O-N 3.28Å; I342-G345 VanDerWaalsContact O-N 3.14Å; T343-G345 VanDerWaalsContact C-N 3.33Å; G345-P347 VanDerWaalsContact C-CD 3.46Å; G345-P347 VanDerWaalsContact O-CD 3.28Å; G345-P347 WeakPolarHBondContact O-CD 3.18Å
346	C	93.8	Very high	94.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.188	C	C	.	.			trans	-121.1	70.8	-173.4	-59.8	0	0	0	0	111.6	I317 C320 L323 I342 C348 L349	I317-C346 PolarHBondContact O-SG 3.38Å; C320-C346 PolarHBondContact O-SG 2.84Å; L323-C346 HydrophobicContact CB-CB 4.32Å; L323-C346 HydrophobicContact CD2-CB 4.47Å; I342-C346 VanDerWaalsContact O-CB 3.31Å; I342-C346 WeakPolarHBondContact O-CB 3.45Å; I342-C346 PolarHBondContact O-N 2.82Å; C346-C348 VanDerWaalsContact C-N 3.25Å; C346-C348 PolarHBondContact O-N 3.01Å; C346-L349 HydrophobicContact CB-CD1 3.74Å; C346-L349 HydrophobicContact CB-CG 3.82Å; C346-L349 WeakPolarHBondContact O-CG 3.33Å; C346-L349 PolarHBondContact O-N 2.9Å
347	P	90.2	Very high	94.1	Very high	68 Å²	68	37 Å²	37	44%	0.442	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-17.5	-175.3	29.3	-36.6	0	0	0	114	G345 L349	G345-P347 VanDerWaalsContact C-CD 3.46Å; G345-P347 VanDerWaalsContact O-CD 3.28Å; G345-P347 WeakPolarHBondContact O-CD 3.18Å; P347-L349 VanDerWaalsContact C-N 3.3Å; P347-L349 PolarHBondContact O-N 3.46Å
348	C	93.8	Very high	94.1	Very high	57 Å²	57	36.5 Å²	36.5	39%	0.385	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	10.8	-179	-62.5	0	0	0	0	113.9	L323 C346 L350	L323-C348 CarbonylContact O-C 3.36Å; C346-C348 VanDerWaalsContact C-N 3.25Å; C346-C348 PolarHBondContact O-N 3.01Å; C348-L350 PolarHBondContact O-N 2.86Å
349	L	95.8	Very high	94.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.177	C	C	.	.			trans	-61.9	125.3	179.4	-78.7	170.9	0	0	0	111.2	L323 L326 C346 P347 S373 L374	L323-L349 HydrophobicContact CB-CD2 4.46Å; L323-L349 HydrophobicContact CD2-CD2 4.1Å; L323-L349 HydrophobicContact CG-CD2 3.92Å; L323-L349 PolarHBondContact O-N 3.08Å; L326-L349 HydrophobicContact CB-CD2 3.89Å; C346-L349 HydrophobicContact CB-CD1 3.74Å; C346-L349 HydrophobicContact CB-CG 3.82Å; C346-L349 WeakPolarHBondContact O-CG 3.33Å; C346-L349 PolarHBondContact O-N 2.9Å; P347-L349 VanDerWaalsContact C-N 3.3Å; P347-L349 PolarHBondContact O-N 3.46Å; L349-S373 CarbonylContact O-C 3.45Å; L349-L374 HydrophobicContact CB-CD1 4.31Å; L349-L374 WeakPolarHBondContact O-CA 3.42Å; L349-L374 PolarHBondContact O-N 3.28Å
350	L	97.1	Very high	94.4	Very high	55 Å²	55	37.6 Å²	37.6	29%	0.288	19%	0.189	S	C	.	.			trans	-108	-31.7	174.3	-53.3	-178.2	0	0	0	111	Q324 C348 S373 Q375 Y376	Q324-L350 HydrophobicContact CB-CD1 4.45Å; Q324-L350 HydrophobicContact CB-CG 4.39Å; Q324-L350 PolarHBondContact O-N 3.37Å; C348-L350 PolarHBondContact O-N 2.86Å; L350-S373 VanDerWaalsContact CD2-O 3.27Å; L350-S373 WeakPolarHBondContact CD2-O 3.48Å; L350-Q375 WeakPolarHBondContact O-CA 3.35Å; L350-Q375 PolarHBondContact O-N 3.04Å; L350-Y376 PolarHBondContact O-N 3.28Å
351	Y	98.1	Very high	94.5	Very high	49 Å²	49	36.6 Å²	36.6	19%	0.192	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	124.6	-179.7	178.7	-77	0	0	0	110.5	Q324 E325 L326 N327 N353 Y376	Q324-Y351 PolarHBondContact O-N 3.39Å; E325-Y351 HydrophobicContact CB-CD1 4.29Å; E325-Y351 HydrophobicContact CB-CG 4.42Å; E325-Y351 HydrophobicContact CG-CG 4.48Å; L326-Y351 PolarHBondContact N-O 2.95Å; N327-Y351 HydrophobicContact CB-CE1 4.38Å; Y351-N353 HydrophobicContact CE1-CB 3.64Å; Y351-N353 PolarHBondContact OH-ND2 3.33Å; Y351-Y376 HydrophobicContact CD1-CD1 4.43Å; Y351-Y376 AromaticContact CD2-CD1 3.3Å; Y351-Y376 HydrophobicContact CD2-CD1 3.3Å; Y351-Y376 AromaticContact CD2-CD2 3.87Å; Y351-Y376 HydrophobicContact CD2-CD2 3.87Å; Y351-Y376 AromaticContact CD2-CE1 3.93Å; Y351-Y376 HydrophobicContact CD2-CE1 3.93Å; Y351-Y376 HydrophobicContact CD2-CE2 4.41Å; Y351-Y376 AromaticContact CD2-CG 3.3Å; Y351-Y376 HydrophobicContact CD2-CG 3.3Å; Y351-Y376 HydrophobicContact CE1-CD1 4.33Å; Y351-Y376 HydrophobicContact CE1-CE1 4.34Å; Y351-Y376 AromaticContact CE2-CD1 3.16Å; Y351-Y376 HydrophobicContact CE2-CD1 3.16Å; Y351-Y376 AromaticContact CE2-CD2 3.71Å; Y351-Y376 HydrophobicContact CE2-CD2 3.71Å; Y351-Y376 AromaticContact CE2-CE1 3.25Å; Y351-Y376 HydrophobicContact CE2-CE1 3.25Å; Y351-Y376 AromaticContact CE2-CE2 3.77Å; Y351-Y376 HydrophobicContact CE2-CE2 3.77Å; Y351-Y376 AromaticContact CE2-CG 3.43Å; Y351-Y376 HydrophobicContact CE2-CG 3.43Å; Y351-Y376 VanDerWaalsContact CE2-CG 3.43Å; Y351-Y376 AromaticContact CE2-CZ 3.58Å; Y351-Y376 AromaticContact CG-CD1 3.94Å; Y351-Y376 HydrophobicContact CG-CD1 3.94Å; Y351-Y376 HydrophobicContact CG-CG 4.19Å; Y351-Y376 AromaticContact CZ-CD1 3.71Å; Y351-Y376 AromaticContact CZ-CE1 3.48Å; Y351-Y376 VanDerWaalsContact CZ-CE1 3.48Å
352	L	97.9	Very high	94.6	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	121.8	173.2	-179	58.4	0	0	0	110.1	L326 L354 I367 L374 Y376 L377 G378	L326-L352 HydrophobicContact CB-CD1 4.1Å; L326-L352 HydrophobicContact CD2-CD1 4.04Å; L326-L352 HydrophobicContact CG-CD1 4.1Å; L326-L352 WeakPolarHBondContact O-CA 3.41Å; L352-L354 HydrophobicContact CD1-CD2 4.18Å; L352-L354 HydrophobicContact CD1-CG 4.14Å; L352-L354 HydrophobicContact CD2-CD1 3.99Å; L352-L354 HydrophobicContact CD2-CG 4.42Å; L352-L354 HydrophobicContact CG-CD1 4.14Å; L352-L354 HydrophobicContact CG-CG 4.03Å; L352-I367 HydrophobicContact CD2-CD1 3.87Å; L352-I367 HydrophobicContact CD2-CG1 3.89Å; L352-I367 HydrophobicContact CD2-CG2 4.22Å; L352-L374 HydrophobicContact CB-CD1 3.87Å; L352-Y376 PolarHBondContact N-O 2.94Å; L352-L377 HydrophobicContact CB-CD1 4.35Å; L352-L377 HydrophobicContact CD2-CD1 4.35Å; L352-L377 HydrophobicContact CG-CD1 4.36Å; L352-L377 WeakPolarHBondContact O-CA 3.36Å; L352-G378 PolarHBondContact O-N 3.45Å
353	N	97.1	Very high	94.7	Very high	16 Å²	16	34.6 Å²	34.6	9%	0.086	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118.5	174.9	-169.9	-25.9	0	0	0	110.5	L326 N327 L328 S329 Y351 S355 Y376	L326-N353 PolarHBondContact O-N 2.91Å; N327-N353 HydrophobicContact CB-CB 4.46Å; L328-N353 CarbonylContact C-O 3.39Å; L328-N353 WeakPolarHBondContact CA-O 3.39Å; L328-N353 PolarHBondContact N-O 2.94Å; S329-N353 PolarHBondContact N-O 3.21Å; Y351-N353 HydrophobicContact CE1-CB 3.64Å; Y351-N353 PolarHBondContact OH-ND2 3.33Å; N353-S355 WeakPolarHBondContact OD1-CB 3.43Å; N353-S355 PolarHBondContact OD1-N 3.35Å; N353-S355 PolarHBondContact OD1-OG 3.35Å; N353-Y376 HydrophobicContact CB-CE1 4.49Å
354	L	96.4	Very high	94.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.			trans	-121.1	16.6	-179.6	-63.5	172.8	0	0	0	111.8	L328 I339 L352 T357 I359 I367 G378 L379 C382	L328-L354 HydrophobicContact CB-CD2 3.91Å; L328-L354 HydrophobicContact CD1-CD2 4.1Å; I339-L354 HydrophobicContact CD1-CD1 4.25Å; I339-L354 HydrophobicContact CD1-CD2 3.56Å; I339-L354 HydrophobicContact CG1-CD2 4.46Å; L352-L354 HydrophobicContact CD1-CD2 4.18Å; L352-L354 HydrophobicContact CD1-CG 4.14Å; L352-L354 HydrophobicContact CD2-CD1 3.99Å; L352-L354 HydrophobicContact CD2-CG 4.42Å; L352-L354 HydrophobicContact CG-CD1 4.14Å; L352-L354 HydrophobicContact CG-CG 4.03Å; L354-T357 WeakPolarHBondContact O-CB 3.28Å; L354-T357 WeakPolarHBondContact O-CG2 3.5Å; L354-T357 PolarHBondContact O-N 3.26Å; L354-T357 PolarHBondContact O-OG1 3.09Å; L354-I359 HydrophobicContact CB-CD1 3.95Å; L354-I359 HydrophobicContact CD1-CD1 3.82Å; L354-I367 HydrophobicContact CD1-CD1 3.59Å; L354-G378 PolarHBondContact N-O 3.25Å; L354-L379 HydrophobicContact CB-CD2 4.48Å; L354-C382 PolarHBondContact O-SG 3.14Å
355	S	94.9	Very high	94.8	Very high	8 Å²	8	35.5 Å²	35.5	6%	0.056	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	146.3	-178.1	-57.3	0	0	0	0	112	S329 E330 N353 T357 G378 A380	S329-S355 CarbonylContact C-O 3.43Å; S329-S355 WeakPolarHBondContact CA-O 3.5Å; S329-S355 VanDerWaalsContact CB-O 3.23Å; S329-S355 WeakPolarHBondContact CB-O 3.26Å; E330-S355 PolarHBondContact N-O 3.46Å; N353-S355 WeakPolarHBondContact OD1-CB 3.43Å; N353-S355 PolarHBondContact OD1-N 3.35Å; N353-S355 PolarHBondContact OD1-OG 3.35Å; S355-T357 VanDerWaalsContact C-N 3.3Å; S355-T357 PolarHBondContact O-N 3.47Å; S355-G378 PolarHBondContact N-O 3.04Å; S355-A380 CarbonylContact C-O 3.4Å; S355-A380 WeakPolarHBondContact CA-O 3.3Å; S355-A380 VanDerWaalsContact CB-O 3.27Å; S355-A380 WeakPolarHBondContact CB-O 3.31Å; S355-A380 WeakPolarHBondContact OG-CB 3.46Å; S355-A380 PolarHBondContact OG-N 2.9Å; S355-A380 VanDerWaalsContact OG-N 3.14Å
356	Y	91	Very high	94.8	Very high	112 Å²	112	35.1 Å²	35.1	44%	0.439	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	38.4	-176.8	-62.4	-96.2	0	0	0	113.5	E330 L332 A380 H381	E330-Y356 HydrophobicContact CG-CD2 4.35Å; E330-Y356 HydrophobicContact CG-CG 4.23Å; L332-Y356 WeakPolarHBondContact CD2-O 3.29Å; Y356-A380 PolarHBondContact N-O 3.5Å; Y356-H381 HydrophobicContact CD1-CB 3.74Å; Y356-H381 AromaticContact CD1-CG 3.97Å; Y356-H381 HydrophobicContact CD2-CB 4.27Å; Y356-H381 HydrophobicContact CE1-CB 3.83Å; Y356-H381 AromaticContact CE1-CD2 3.67Å; Y356-H381 AromaticContact CE1-CG 3.51Å; Y356-H381 AromaticContact CE1-ND1 3.84Å; Y356-H381 HydrophobicContact CE2-CB 4.31Å; Y356-H381 AromaticContact CE2-CD2 3.41Å; Y356-H381 VanDerWaalsContact CE2-CD2 3.41Å; Y356-H381 WeakPolarHBondContact CE2-CD2 2.96Å; Y356-H381 AromaticContact CE2-CG 3.98Å; Y356-H381 HydrophobicContact CG-CB 3.98Å; Y356-H381 AromaticContact CZ-CD2 3.14Å; Y356-H381 AromaticContact CZ-CE1 3.97Å; Y356-H381 AromaticContact CZ-CG 3.51Å; Y356-H381 AromaticContact CZ-NE2 3.46Å; Y356-H381 PolarHBondContact OH-CD2 3.3Å; Y356-H381 PolarHBondContact OH-NE2 3.18Å
357	T	91.6	Very high	94.9	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	18%	0.177	C	C	.	.			trans	-117.6	171.1	172.4	68	0	0	0	0	111.4	I334 L354 S355	I334-T357 HydrophobicContact CD1-CG2 4.21Å; L354-T357 WeakPolarHBondContact O-CB 3.28Å; L354-T357 WeakPolarHBondContact O-CG2 3.5Å; L354-T357 PolarHBondContact O-N 3.26Å; L354-T357 PolarHBondContact O-OG1 3.09Å; S355-T357 VanDerWaalsContact C-N 3.3Å; S355-T357 PolarHBondContact O-N 3.47Å
358	L	90.8	Very high	95	Very high	83 Å²	83	32.5 Å²	32.5	44%	0.435	16%	0.159	S	C	.	.			trans	-101.8	26.6	-175	-60	177.8	0	0	0	113.2
359	I	94.8	Very high	94.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.			trans	-64.4	146.9	-178.6	59.2	170.4	0	0	0	112.7	I334 I339 L354 L379 C382 R384	I334-I359 HydrophobicContact CG2-CG2 4.36Å; I339-I359 HydrophobicContact CG1-CG2 4.12Å; L354-I359 HydrophobicContact CB-CD1 3.95Å; L354-I359 HydrophobicContact CD1-CD1 3.82Å; I359-L379 HydrophobicContact CD1-CD2 3.68Å; I359-C382 HydrophobicContact CD1-CB 4.46Å; I359-C382 HydrophobicContact CG1-CB 4.16Å; I359-R384 VanDerWaalsContact O-CB 3.28Å; I359-R384 WeakPolarHBondContact O-CB 3.5Å
360	T	96.6	Very high	94.6	Very high	44 Å²	44	34.8 Å²	34.8	27%	0.27	17%	0.17	S	C	.	.			trans	-111.2	-174.8	179.2	79.9	0	0	0	0	111.9	D336 Q362 S363 L364 R384	D336-T360 VanDerWaalsContact CG-OG1 3.23Å; D336-T360 PolarHBondContact OD1-N 3.22Å; D336-T360 PolarHBondContact OD1-OG1 2.92Å; D336-T360 WeakPolarHBondContact OD2-CB 3.42Å; D336-T360 VanDerWaalsContact OD2-CG2 3.27Å; D336-T360 WeakPolarHBondContact OD2-CG2 3.44Å; D336-T360 PolarHBondContact OD2-OG1 3.25Å; T360-Q362 PolarHBondContact O-N 3.36Å; T360-Q362 VanDerWaalsContact O-N 3.09Å; T360-Q362 PolarHBondContact OG1-N 3.31Å; T360-S363 PolarHBondContact O-N 3.47Å; T360-S363 VanDerWaalsContact O-N 3.09Å; T360-L364 PolarHBondContact O-N 2.81Å; T360-R384 HydrophobicContact CG2-CB 4.3Å
361	N	96.2	Very high	94.4	Very high	33 Å²	33	32.2 Å²	32.2	18%	0.176	16%	0.157	C	C	.	.	H	α-helix	trans	-51.5	-30.3	172.4	-66.6	-21.5	0	0	0	112.9	L364 R365 F385 T386 G389	N361-L364 PolarHBondContact O-N 2.86Å; N361-R365 VanDerWaalsContact O-CG 3.29Å; N361-R365 WeakPolarHBondContact O-CG 3.33Å; N361-R365 PolarHBondContact O-N 2.98Å; N361-F385 VanDerWaalsContact OD1-CA 3.31Å; N361-F385 WeakPolarHBondContact OD1-CA 3.26Å; N361-F385 WeakPolarHBondContact OD1-CB 3.31Å; N361-T386 PolarHBondContact ND2-OG1 3.26Å; N361-T386 PolarHBondContact OD1-N 2.87Å; N361-T386 PolarHBondContact OD1-O 3.13Å; N361-G389 WeakPolarHBondContact OD1-CA 3.37Å; N361-G389 PolarHBondContact OD1-N 2.89Å
362	Q	96	Very high	94	Very high	92 Å²	92	34.2 Å²	34.2	43%	0.43	17%	0.171	S	C	.	.	H	α-helix	trans	-65.2	-41.5	179.3	-177.7	174.2	-12.9	0	0	112.2	D336 T360 A366	D336-Q362 HydrophobicContact CB-CB 3.97Å; D336-Q362 HydrophobicContact CB-CG 4.05Å; T360-Q362 PolarHBondContact O-N 3.36Å; T360-Q362 VanDerWaalsContact O-N 3.09Å; T360-Q362 PolarHBondContact OG1-N 3.31Å; Q362-A366 PolarHBondContact O-N 3.31Å
363	S	95.9	Very high	93.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-46.5	174.6	-76.5	0	0	0	0	111.7	D336 T360 R365 A366 I367	D336-S363 WeakPolarHBondContact CA-OG 3.21Å; D336-S363 WeakPolarHBondContact OD1-CB 3.42Å; D336-S363 PolarHBondContact OD1-N 3.46Å; D336-S363 PolarHBondContact OD1-OG 3.08Å; T360-S363 PolarHBondContact O-N 3.47Å; T360-S363 VanDerWaalsContact O-N 3.09Å; S363-R365 VanDerWaalsContact C-N 3.32Å; S363-R365 PolarHBondContact O-N 3.29Å; S363-A366 PolarHBondContact O-N 3.12Å; S363-I367 WeakPolarHBondContact O-CD1 3.28Å; S363-I367 VanDerWaalsContact O-CG1 3.25Å; S363-I367 WeakPolarHBondContact O-CG1 3.22Å; S363-I367 PolarHBondContact O-N 3.31Å
364	L	94.9	Very high	93.7	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-59.9	-44.6	-179.3	-68.8	-178.1	0	0	0	111.4	T360 N361 A366 I367 I368 L379 F385 G389 F390	T360-L364 PolarHBondContact O-N 2.81Å; N361-L364 PolarHBondContact O-N 2.86Å; L364-A366 PolarHBondContact O-N 2.87Å; L364-I367 PolarHBondContact O-N 3.27Å; L364-I368 WeakPolarHBondContact O-CD1 3.17Å; L364-I368 WeakPolarHBondContact O-CG1 3.42Å; L364-I368 PolarHBondContact O-N 2.99Å; L364-L379 HydrophobicContact CD2-CD1 3.71Å; L364-L379 HydrophobicContact CD2-CD2 3.82Å; L364-L379 HydrophobicContact CD2-CG 4.45Å; L364-F385 HydrophobicContact CD1-CB 3.7Å; L364-F385 HydrophobicContact CD1-CD1 4.03Å; L364-F385 HydrophobicContact CD1-CD2 3.66Å; L364-F385 HydrophobicContact CD1-CE2 4.31Å; L364-F385 HydrophobicContact CD1-CG 3.53Å; L364-F385 HydrophobicContact CG-CB 4.47Å; L364-G389 WeakPolarHBondContact CB-O 3.44Å; L364-F390 HydrophobicContact CD1-CE1 4.35Å; L364-F390 HydrophobicContact CD1-CE2 4.17Å; L364-F390 HydrophobicContact CD1-CZ 4.09Å
365	R	94	Very high	93.7	Very high	107 Å²	107	40 Å²	40	40%	0.404	20%	0.204	S	C	.	.	H	α-helix	trans	-57.9	-49.4	174.4	-68	179.5	-173.6	172.6	0.5	111.3	N361 S363 I367 I368 S369 T392	N361-R365 VanDerWaalsContact O-CG 3.29Å; N361-R365 WeakPolarHBondContact O-CG 3.33Å; N361-R365 PolarHBondContact O-N 2.98Å; S363-R365 VanDerWaalsContact C-N 3.32Å; S363-R365 PolarHBondContact O-N 3.29Å; R365-I367 VanDerWaalsContact C-N 3.33Å; R365-I367 PolarHBondContact O-N 3.09Å; R365-I368 PolarHBondContact O-N 2.72Å; R365-S369 PolarHBondContact O-N 2.96Å; R365-S369 PolarHBondContact O-OG 3.07Å; R365-T392 HydrophobicContact CB-CG2 4.35Å; R365-T392 HydrophobicContact CG-CG2 3.69Å
366	A	94.3	Very high	93.8	Very high	10 Å²	10	42.1 Å²	42.1	8%	0.083	21%	0.21	C	C	.	.	H	α-helix	trans	-61.7	-38.2	179.7	0	0	0	0	0	113.3	Q340 T343 Q362 S363 L364 N370	Q340-A366 HydrophobicContact CB-CB 3.98Å; Q340-A366 HydrophobicContact CG-CB 4.11Å; T343-A366 PolarHBondContact OG1-O 2.99Å; Q362-A366 PolarHBondContact O-N 3.31Å; S363-A366 PolarHBondContact O-N 3.12Å; L364-A366 PolarHBondContact O-N 2.87Å; A366-N370 WeakPolarHBondContact O-CB 3.45Å; A366-N370 PolarHBondContact O-N 2.8Å; A366-N370 PolarHBondContact O-ND2 3.13Å
367	I	94.8	Very high	94.1	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.015	19%	0.192	C	C	.	.	H	α-helix	trans	-63.5	-49.7	175.6	-66.3	161.1	0	0	0	110	I339 T343 L352 L354 S363 L364 R365 S369 N370 C371 L374 L377	I339-I367 HydrophobicContact CG2-CD1 4Å; I339-I367 HydrophobicContact CG2-CG1 3.82Å; T343-I367 HydrophobicContact CG2-CB 4.38Å; T343-I367 HydrophobicContact CG2-CG1 3.75Å; L352-I367 HydrophobicContact CD2-CD1 3.87Å; L352-I367 HydrophobicContact CD2-CG1 3.89Å; L352-I367 HydrophobicContact CD2-CG2 4.22Å; L354-I367 HydrophobicContact CD1-CD1 3.59Å; S363-I367 WeakPolarHBondContact O-CD1 3.28Å; S363-I367 VanDerWaalsContact O-CG1 3.25Å; S363-I367 WeakPolarHBondContact O-CG1 3.22Å; S363-I367 PolarHBondContact O-N 3.31Å; L364-I367 PolarHBondContact O-N 3.27Å; R365-I367 VanDerWaalsContact C-N 3.33Å; R365-I367 PolarHBondContact O-N 3.09Å; I367-S369 PolarHBondContact O-N 3.24Å; I367-N370 PolarHBondContact O-N 2.96Å; I367-C371 HydrophobicContact CG2-CB 4.48Å; I367-C371 VanDerWaalsContact O-CB 3.28Å; I367-C371 WeakPolarHBondContact O-CB 3.48Å; I367-C371 PolarHBondContact O-N 3.15Å; I367-L374 HydrophobicContact CG2-CD2 3.71Å; I367-L377 HydrophobicContact CD1-CD1 4.47Å
368	I	92.1	Very high	94.4	Very high	10 Å²	10	37.1 Å²	37.1	5%	0.051	19%	0.191	C	C	.	.	H	α-helix	trans	-63	-43.3	-178	-66.2	161.7	0	0	0	110.7	L364 R365 N370 T392 L393 E396 G398	L364-I368 WeakPolarHBondContact O-CD1 3.17Å; L364-I368 WeakPolarHBondContact O-CG1 3.42Å; L364-I368 PolarHBondContact O-N 2.99Å; R365-I368 PolarHBondContact O-N 2.72Å; I368-N370 PolarHBondContact O-N 2.7Å; I368-T392 WeakPolarHBondContact CD1-OG1 3.28Å; I368-L393 HydrophobicContact CB-CD2 4.41Å; I368-L393 HydrophobicContact CD1-CD2 3.59Å; I368-L393 HydrophobicContact CD1-CG 3.61Å; I368-L393 HydrophobicContact CG1-CD2 3.62Å; I368-L393 HydrophobicContact CG1-CG 4.23Å; I368-L393 HydrophobicContact CG2-CD2 3.9Å; I368-E396 HydrophobicContact CG2-CB 4.28Å; I368-G398 VanDerWaalsContact O-CA 3.29Å; I368-G398 WeakPolarHBondContact O-CA 3.44Å
369	S	91.3	Very high	94.8	Very high	46 Å²	46	33.2 Å²	33.2	32%	0.322	17%	0.171	S	C	.	.	H	α-helix	trans	-71.3	-32.5	-176.8	-51.2	0	0	0	0	113.6	R365 I367 E396	R365-S369 PolarHBondContact O-N 2.96Å; R365-S369 PolarHBondContact O-OG 3.07Å; I367-S369 PolarHBondContact O-N 3.24Å; S369-E396 WeakPolarHBondContact CA-OE2 3.29Å; S369-E396 VanDerWaalsContact CB-OE2 3.27Å; S369-E396 WeakPolarHBondContact CB-OE2 3.44Å; S369-E396 PolarHBondContact N-OE2 2.79Å; S369-E396 VanDerWaalsContact OG-CD 3.28Å; S369-E396 PolarHBondContact OG-OE1 3.01Å; S369-E396 PolarHBondContact OG-OE2 2.64Å
370	N	91.3	Very high	94.8	Very high	58 Å²	58	33.5 Å²	33.5	31%	0.31	17%	0.173	S	C	.	.	H	α-helix	trans	-105.4	-31.7	-170.3	-62.3	-58.1	0	0	0	114	T343 A366 I367 I368 L372	T343-N370 WeakPolarHBondContact O-CB 3.34Å; T343-N370 PolarHBondContact OG1-ND2 3.04Å; A366-N370 WeakPolarHBondContact O-CB 3.45Å; A366-N370 PolarHBondContact O-N 2.8Å; A366-N370 PolarHBondContact O-ND2 3.13Å; I367-N370 PolarHBondContact O-N 2.96Å; I368-N370 PolarHBondContact O-N 2.7Å; N370-L372 PolarHBondContact O-N 2.9Å
371	C	91.8	Very high	94.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.007	18%	0.175	C	C	.	.			trans	-97.9	64.7	-173.5	-60.7	0	0	0	0	112.2	I367 S373 L374	I367-C371 HydrophobicContact CG2-CB 4.48Å; I367-C371 VanDerWaalsContact O-CB 3.28Å; I367-C371 WeakPolarHBondContact O-CB 3.48Å; I367-C371 PolarHBondContact O-N 3.15Å; C371-S373 PolarHBondContact O-N 3.08Å; C371-S373 VanDerWaalsContact O-N 3.12Å; C371-L374 HydrophobicContact CB-CB 4.11Å; C371-L374 VanDerWaalsContact O-CB 3.26Å; C371-L374 WeakPolarHBondContact O-CB 3.21Å; C371-L374 PolarHBondContact O-N 3.19Å; C371-L374 VanDerWaalsContact O-N 3.1Å
372	L	91.1	Very high	94.5	Very high	91 Å²	91	33 Å²	33	48%	0.476	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.8	-174.6	-54.6	-179.9	0	0	0	114.9	N370 N401	N370-L372 PolarHBondContact O-N 2.9Å; L372-N401 PolarHBondContact O-ND2 3.39Å
373	S	92.4	Very high	94.2	Very high	54 Å²	54	32.2 Å²	32.2	38%	0.378	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	4.7	178.9	-59.7	0	0	0	0	113.3	L349 L350 C371 Q375	L349-S373 CarbonylContact O-C 3.45Å; L350-S373 VanDerWaalsContact CD2-O 3.27Å; L350-S373 WeakPolarHBondContact CD2-O 3.48Å; C371-S373 PolarHBondContact O-N 3.08Å; C371-S373 VanDerWaalsContact O-N 3.12Å; S373-Q375 PolarHBondContact O-N 3.09Å
374	L	95.3	Very high	94.1	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.042	20%	0.201	C	C	.	.			trans	-64.6	129.6	-173.4	-164.4	71.2	0	0	0	111.1	L349 L352 I367 C371 L377 N401 L402	L349-L374 HydrophobicContact CB-CD1 4.31Å; L349-L374 WeakPolarHBondContact O-CA 3.42Å; L349-L374 PolarHBondContact O-N 3.28Å; L352-L374 HydrophobicContact CB-CD1 3.87Å; I367-L374 HydrophobicContact CG2-CD2 3.71Å; C371-L374 HydrophobicContact CB-CB 4.11Å; C371-L374 VanDerWaalsContact O-CB 3.26Å; C371-L374 WeakPolarHBondContact O-CB 3.21Å; C371-L374 PolarHBondContact O-N 3.19Å; C371-L374 VanDerWaalsContact O-N 3.1Å; L374-L377 HydrophobicContact CD2-CB 4.02Å; L374-L377 HydrophobicContact CD2-CD1 4.18Å; L374-L377 HydrophobicContact CD2-CD2 4.42Å; L374-L377 HydrophobicContact CD2-CG 4.42Å; L374-N401 CarbonylContact O-C 3.57Å; L374-N401 VanDerWaalsContact O-C 3.26Å; L374-L402 HydrophobicContact CD2-CD1 4.41Å; L374-L402 HydrophobicContact CG-CD1 4.38Å; L374-L402 WeakPolarHBondContact O-CA 3.41Å; L374-L402 PolarHBondContact O-N 3.14Å
375	Q	96.3	Very high	94.1	Very high	79 Å²	79	40.1 Å²	40.1	37%	0.369	20%	0.2	S	C	.	.			trans	-113.2	-29.7	-179	-63.2	178.8	21.5	0	0	112.2	L350 S373 M403 H404	L350-Q375 WeakPolarHBondContact O-CA 3.35Å; L350-Q375 PolarHBondContact O-N 3.04Å; S373-Q375 PolarHBondContact O-N 3.09Å; Q375-M403 HydrophobicContact CG-CE 4.46Å; Q375-M403 PolarHBondContact O-N 2.98Å; Q375-H404 PolarHBondContact O-N 2.93Å
376	Y	97.9	Very high	94.1	Very high	51 Å²	51	38 Å²	38	20%	0.2	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	126.6	179.1	-178.5	-72.5	0	0	0	110.2	L350 Y351 L352 N353 H404	L350-Y376 PolarHBondContact O-N 3.28Å; Y351-Y376 HydrophobicContact CD1-CD1 4.43Å; Y351-Y376 AromaticContact CD2-CD1 3.3Å; Y351-Y376 HydrophobicContact CD2-CD1 3.3Å; Y351-Y376 AromaticContact CD2-CD2 3.87Å; Y351-Y376 HydrophobicContact CD2-CD2 3.87Å; Y351-Y376 AromaticContact CD2-CE1 3.93Å; Y351-Y376 HydrophobicContact CD2-CE1 3.93Å; Y351-Y376 HydrophobicContact CD2-CE2 4.41Å; Y351-Y376 AromaticContact CD2-CG 3.3Å; Y351-Y376 HydrophobicContact CD2-CG 3.3Å; Y351-Y376 HydrophobicContact CE1-CD1 4.33Å; Y351-Y376 HydrophobicContact CE1-CE1 4.34Å; Y351-Y376 AromaticContact CE2-CD1 3.16Å; Y351-Y376 HydrophobicContact CE2-CD1 3.16Å; Y351-Y376 AromaticContact CE2-CD2 3.71Å; Y351-Y376 HydrophobicContact CE2-CD2 3.71Å; Y351-Y376 AromaticContact CE2-CE1 3.25Å; Y351-Y376 HydrophobicContact CE2-CE1 3.25Å; Y351-Y376 AromaticContact CE2-CE2 3.77Å; Y351-Y376 HydrophobicContact CE2-CE2 3.77Å; Y351-Y376 AromaticContact CE2-CG 3.43Å; Y351-Y376 HydrophobicContact CE2-CG 3.43Å; Y351-Y376 VanDerWaalsContact CE2-CG 3.43Å; Y351-Y376 AromaticContact CE2-CZ 3.58Å; Y351-Y376 AromaticContact CG-CD1 3.94Å; Y351-Y376 HydrophobicContact CG-CD1 3.94Å; Y351-Y376 HydrophobicContact CG-CG 4.19Å; Y351-Y376 AromaticContact CZ-CD1 3.71Å; Y351-Y376 AromaticContact CZ-CE1 3.48Å; Y351-Y376 VanDerWaalsContact CZ-CE1 3.48Å; L352-Y376 PolarHBondContact N-O 2.94Å; N353-Y376 HydrophobicContact CB-CE1 4.49Å; Y376-H404 WeakPolarHBondContact CA-O 3.08Å; Y376-H404 HydrophobicContact CD2-CB 3.61Å; Y376-H404 AromaticContact CD2-CD2 3.26Å; Y376-H404 WeakPolarHBondContact CD2-CD2 3.38Å; Y376-H404 AromaticContact CD2-CG 3.42Å; Y376-H404 VanDerWaalsContact CD2-CG 3.42Å; Y376-H404 AromaticContact CD2-NE2 3.98Å; Y376-H404 HydrophobicContact CE2-CB 4.21Å; Y376-H404 AromaticContact CE2-CD2 2.97Å; Y376-H404 WeakPolarHBondContact CE2-CD2 3.19Å; Y376-H404 AromaticContact CE2-CE1 3.83Å; Y376-H404 AromaticContact CE2-CG 3.49Å; Y376-H404 VanDerWaalsContact CE2-CG 3.49Å; Y376-H404 AromaticContact CE2-ND1 3.96Å; Y376-H404 AromaticContact CE2-NE2 3.22Å; Y376-H404 WeakPolarHBondContact CE2-NE2 3.48Å; Y376-H404 HydrophobicContact CG-CB 4.27Å; Y376-H404 AromaticContact CZ-CD2 3.56Å; Y376-H404 AromaticContact CZ-NE2 3.66Å
377	L	97.8	Very high	94.1	Very high	9 Å²	9	38.3 Å²	38.3	5%	0.047	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	116.4	173.1	-177.5	57.1	0	0	0	110.5	L352 I367 L374 L379 L402 H404 L405 D406	L352-L377 HydrophobicContact CB-CD1 4.35Å; L352-L377 HydrophobicContact CD2-CD1 4.35Å; L352-L377 HydrophobicContact CG-CD1 4.36Å; L352-L377 WeakPolarHBondContact O-CA 3.36Å; I367-L377 HydrophobicContact CD1-CD1 4.47Å; L374-L377 HydrophobicContact CD2-CB 4.02Å; L374-L377 HydrophobicContact CD2-CD1 4.18Å; L374-L377 HydrophobicContact CD2-CD2 4.42Å; L374-L377 HydrophobicContact CD2-CG 4.42Å; L377-L379 HydrophobicContact CD1-CD2 4.03Å; L377-L379 HydrophobicContact CD1-CG 4.27Å; L377-L379 HydrophobicContact CD2-CD1 3.94Å; L377-L379 HydrophobicContact CD2-CG 4.3Å; L377-L379 HydrophobicContact CG-CD1 4.09Å; L377-L379 HydrophobicContact CG-CD2 4.2Å; L377-L379 HydrophobicContact CG-CG 3.91Å; L377-L402 HydrophobicContact CB-CD1 3.8Å; L377-H404 PolarHBondContact N-O 3.37Å; L377-L405 HydrophobicContact CB-CD1 4.16Å; L377-L405 HydrophobicContact CD2-CD1 4.28Å; L377-L405 HydrophobicContact CG-CD1 4.27Å; L377-L405 WeakPolarHBondContact O-CA 3.46Å; L377-D406 PolarHBondContact O-N 3.04Å
378	G	98	Very high	94	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	119.8	174.9	0	0	0	0	0	111.9	L352 L354 S355	L352-G378 PolarHBondContact O-N 3.45Å; L354-G378 PolarHBondContact N-O 3.25Å; S355-G378 PolarHBondContact N-O 3.04Å
379	L	97.4	Very high	94	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.214	C	C	.	.			trans	-127.7	14.5	-178.2	-59.8	172	0	0	0	112.6	L354 I359 L364 L377 H381 C382 F385 F390 L405 D406 L407 C410	L354-L379 HydrophobicContact CB-CD2 4.48Å; I359-L379 HydrophobicContact CD1-CD2 3.68Å; L364-L379 HydrophobicContact CD2-CD1 3.71Å; L364-L379 HydrophobicContact CD2-CD2 3.82Å; L364-L379 HydrophobicContact CD2-CG 4.45Å; L377-L379 HydrophobicContact CD1-CD2 4.03Å; L377-L379 HydrophobicContact CD1-CG 4.27Å; L377-L379 HydrophobicContact CD2-CD1 3.94Å; L377-L379 HydrophobicContact CD2-CG 4.3Å; L377-L379 HydrophobicContact CG-CD1 4.09Å; L377-L379 HydrophobicContact CG-CD2 4.2Å; L377-L379 HydrophobicContact CG-CG 3.91Å; L379-H381 PolarHBondContact O-N 2.87Å; L379-C382 VanDerWaalsContact O-CB 3.23Å; L379-C382 WeakPolarHBondContact O-CB 3.44Å; L379-C382 PolarHBondContact O-N 3.08Å; L379-C382 VanDerWaalsContact O-N 3.09Å; L379-F385 HydrophobicContact CB-CE1 4.31Å; L379-F390 HydrophobicContact CD1-CE1 4.22Å; L379-F390 HydrophobicContact CD1-CZ 3.72Å; L379-L405 HydrophobicContact CD1-CD1 4.24Å; L379-D406 CarbonylContact C-O 3.48Å; L379-D406 WeakPolarHBondContact CA-O 3.49Å; L379-D406 WeakPolarHBondContact CB-O 3.45Å; L379-D406 PolarHBondContact N-O 3.16Å; L379-L407 HydrophobicContact CB-CD2 4.4Å; L379-L407 HydrophobicContact CD1-CD2 4.03Å; L379-C410 PolarHBondContact O-SG 2.89Å
380	A	95.3	Very high	94.1	Very high	6 Å²	6	39.3 Å²	39.3	5%	0.05	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	136.6	-175.1	0	0	0	0	0	111.8	S355 Y356 C382 S408	S355-A380 CarbonylContact C-O 3.4Å; S355-A380 WeakPolarHBondContact CA-O 3.3Å; S355-A380 VanDerWaalsContact CB-O 3.27Å; S355-A380 WeakPolarHBondContact CB-O 3.31Å; S355-A380 WeakPolarHBondContact OG-CB 3.46Å; S355-A380 PolarHBondContact OG-N 2.9Å; S355-A380 VanDerWaalsContact OG-N 3.14Å; Y356-A380 PolarHBondContact N-O 3.5Å; A380-C382 PolarHBondContact O-N 2.93Å; A380-S408 CarbonylContact C-O 3.32Å; A380-S408 WeakPolarHBondContact CA-O 3.42Å
381	H	92.9	Very high	94	Very high	66 Å²	66	39.3 Å²	39.3	31%	0.306	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	18.4	-177.6	-58.7	-97.3	0	0	0	115.5	Y356 L379 C383 S408 A409	Y356-H381 HydrophobicContact CD1-CB 3.74Å; Y356-H381 AromaticContact CD1-CG 3.97Å; Y356-H381 HydrophobicContact CD2-CB 4.27Å; Y356-H381 HydrophobicContact CE1-CB 3.83Å; Y356-H381 AromaticContact CE1-CD2 3.67Å; Y356-H381 AromaticContact CE1-CG 3.51Å; Y356-H381 AromaticContact CE1-ND1 3.84Å; Y356-H381 HydrophobicContact CE2-CB 4.31Å; Y356-H381 AromaticContact CE2-CD2 3.41Å; Y356-H381 VanDerWaalsContact CE2-CD2 3.41Å; Y356-H381 WeakPolarHBondContact CE2-CD2 2.96Å; Y356-H381 AromaticContact CE2-CG 3.98Å; Y356-H381 HydrophobicContact CG-CB 3.98Å; Y356-H381 AromaticContact CZ-CD2 3.14Å; Y356-H381 AromaticContact CZ-CE1 3.97Å; Y356-H381 AromaticContact CZ-CG 3.51Å; Y356-H381 AromaticContact CZ-NE2 3.46Å; Y356-H381 PolarHBondContact OH-CD2 3.3Å; Y356-H381 PolarHBondContact OH-NE2 3.18Å; L379-H381 PolarHBondContact O-N 2.87Å; H381-C383 PolarHBondContact O-N 2.99Å; H381-S408 PolarHBondContact N-O 2.66Å; H381-A409 WeakPolarHBondContact CE1-CB 3.21Å; H381-A409 VanDerWaalsContact ND1-CB 3.32Å; H381-A409 WeakPolarHBondContact ND1-CB 3.31Å
382	C	93.1	Very high	93.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.204	C	C	.	.			trans	-84.1	96.8	170.2	-70	0	0	0	0	110.1	L354 I359 L379 A380 F385 Q412	L354-C382 PolarHBondContact O-SG 3.14Å; I359-C382 HydrophobicContact CD1-CB 4.46Å; I359-C382 HydrophobicContact CG1-CB 4.16Å; L379-C382 VanDerWaalsContact O-CB 3.23Å; L379-C382 WeakPolarHBondContact O-CB 3.44Å; L379-C382 PolarHBondContact O-N 3.08Å; L379-C382 VanDerWaalsContact O-N 3.09Å; A380-C382 PolarHBondContact O-N 2.93Å; C382-F385 HydrophobicContact CB-CD1 3.92Å; C382-F385 HydrophobicContact CB-CE1 3.67Å; C382-F385 WeakPolarHBondContact O-CD1 3.24Å; C382-F385 WeakPolarHBondContact O-CE1 3.49Å; C382-Q412 PolarHBondContact O-NE2 3.28Å
383	C	90.6	Very high	93.6	Very high	77 Å²	77	36.2 Å²	36.2	52%	0.52	18%	0.183	S	C	.	.			trans	-92.8	3.2	-170.5	60.7	0	0	0	0	115.6	H381	H381-C383 PolarHBondContact O-N 2.99Å
384	R	93.2	Very high	93.3	Very high	166 Å²	166	37.2 Å²	37.2	63%	0.626	19%	0.187	S	C	*	.	S	Bend	trans	-103.3	-9.7	-170	-71.4	-77.7	-176.7	169.3	-0.7	114.8	I359 T360	I359-R384 VanDerWaalsContact O-CB 3.28Å; I359-R384 WeakPolarHBondContact O-CB 3.5Å; T360-R384 HydrophobicContact CG2-CB 4.3Å
385	F	94.9	Very high	92.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.			trans	-94.7	163	172	73.3	-103.7	0	0	0	110.9	N361 L364 L379 C382 F390 C410 Q412 M413	N361-F385 VanDerWaalsContact OD1-CA 3.31Å; N361-F385 WeakPolarHBondContact OD1-CA 3.26Å; N361-F385 WeakPolarHBondContact OD1-CB 3.31Å; L364-F385 HydrophobicContact CD1-CB 3.7Å; L364-F385 HydrophobicContact CD1-CD1 4.03Å; L364-F385 HydrophobicContact CD1-CD2 3.66Å; L364-F385 HydrophobicContact CD1-CE2 4.31Å; L364-F385 HydrophobicContact CD1-CG 3.53Å; L364-F385 HydrophobicContact CG-CB 4.47Å; L379-F385 HydrophobicContact CB-CE1 4.31Å; C382-F385 HydrophobicContact CB-CD1 3.92Å; C382-F385 HydrophobicContact CB-CE1 3.67Å; C382-F385 WeakPolarHBondContact O-CD1 3.24Å; C382-F385 WeakPolarHBondContact O-CE1 3.49Å; F385-F390 HydrophobicContact CD2-CE2 4.19Å; F385-F390 HydrophobicContact CE2-CD2 4.46Å; F385-F390 AromaticContact CE2-CE2 3.62Å; F385-F390 HydrophobicContact CE2-CE2 3.62Å; F385-F390 HydrophobicContact CE2-CZ 4.34Å; F385-F390 HydrophobicContact CZ-CE2 4.22Å; F385-C410 HydrophobicContact CZ-CB 3.96Å; F385-Q412 WeakPolarHBondContact O-CG 3.42Å; F385-Q412 PolarHBondContact O-NE2 2.9Å; F385-M413 HydrophobicContact CE2-CG 3.9Å; F385-M413 HydrophobicContact CE2-SD 3.92Å; F385-M413 HydrophobicContact CZ-SD 4.21Å
386	T	95.2	Very high	91.6	Very high	64 Å²	64	41.5 Å²	41.5	39%	0.393	21%	0.214	S	C	.	.			trans	-128.6	-177.9	174.6	63.2	0	0	0	0	110.3	N361 E388 G389	N361-T386 PolarHBondContact ND2-OG1 3.26Å; N361-T386 PolarHBondContact OD1-N 2.87Å; N361-T386 PolarHBondContact OD1-O 3.13Å; T386-E388 PolarHBondContact O-N 3Å; T386-G389 PolarHBondContact O-N 3.09Å
387	D	94.3	Very high	90.6	Very high	16 Å²	16	44.7 Å²	44.7	9%	0.086	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-50.9	-31.3	176.1	-57.7	-19.6	0	0	0	113.3	G389 F390 L391 M413 T414 G417 Y420	D387-G389 PolarHBondContact O-N 2.8Å; D387-F390 PolarHBondContact O-N 3.39Å; D387-L391 PolarHBondContact O-N 3.25Å; D387-M413 WeakPolarHBondContact OD1-CA 3.23Å; D387-T414 PolarHBondContact OD1-N 3.08Å; D387-T414 VanDerWaalsContact OD2-CB 3.32Å; D387-T414 WeakPolarHBondContact OD2-CB 3.33Å; D387-T414 WeakPolarHBondContact OD2-CG2 3.33Å; D387-T414 PolarHBondContact OD2-OG1 3.28Å; D387-G417 WeakPolarHBondContact OD1-CA 3.36Å; D387-Y420 HydrophobicContact CB-CD2 4.44Å; D387-Y420 HydrophobicContact CB-CE2 4.3Å; D387-Y420 WeakPolarHBondContact O-CD2 3.42Å
388	E	92.9	Very high	89.5	Confident	76 Å²	76	44.5 Å²	44.5	36%	0.355	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-61.3	-21.3	177.2	-69	-62.2	137.8	0	0	114.3	T386 F390	T386-E388 PolarHBondContact O-N 3Å; E388-F390 VanDerWaalsContact C-N 3.29Å
389	G	91.2	Very high	88.7	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-70.2	-26.8	173.5	0	0	0	0	0	112.9	N361 L364 T386 D387	N361-G389 WeakPolarHBondContact OD1-CA 3.37Å; N361-G389 PolarHBondContact OD1-N 2.89Å; L364-G389 WeakPolarHBondContact CB-O 3.44Å; T386-G389 PolarHBondContact O-N 3.09Å; D387-G389 PolarHBondContact O-N 2.8Å
390	F	92.6	Very high	88.2	Confident	3 Å²	3	50.5 Å²	50.5	1%	0.013	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-8.1	178.3	-69	-65.2	0	0	0	113.6	L364 L379 F385 D387 E388 T392 L393 L407 M413 I421	L364-F390 HydrophobicContact CD1-CE1 4.35Å; L364-F390 HydrophobicContact CD1-CE2 4.17Å; L364-F390 HydrophobicContact CD1-CZ 4.09Å; L379-F390 HydrophobicContact CD1-CE1 4.22Å; L379-F390 HydrophobicContact CD1-CZ 3.72Å; F385-F390 HydrophobicContact CD2-CE2 4.19Å; F385-F390 HydrophobicContact CE2-CD2 4.46Å; F385-F390 AromaticContact CE2-CE2 3.62Å; F385-F390 HydrophobicContact CE2-CE2 3.62Å; F385-F390 HydrophobicContact CE2-CZ 4.34Å; F385-F390 HydrophobicContact CZ-CE2 4.22Å; D387-F390 PolarHBondContact O-N 3.39Å; E388-F390 VanDerWaalsContact C-N 3.29Å; F390-T392 PolarHBondContact O-N 3.39Å; F390-T392 VanDerWaalsContact O-N 3.13Å; F390-L393 HydrophobicContact CB-CD1 4.09Å; F390-L393 HydrophobicContact CD1-CD1 3.51Å; F390-L393 HydrophobicContact CD1-CG 4.19Å; F390-L393 HydrophobicContact CE1-CD1 4.37Å; F390-L393 HydrophobicContact CG-CD1 4.21Å; F390-L393 WeakPolarHBondContact O-CB 3.22Å; F390-L393 PolarHBondContact O-N 3.09Å; F390-L407 HydrophobicContact CE2-CD2 4.32Å; F390-L407 HydrophobicContact CZ-CD2 3.9Å; F390-M413 HydrophobicContact CD2-CE 4.03Å; F390-M413 HydrophobicContact CE2-CE 3.77Å; F390-M413 HydrophobicContact CE2-SD 4.05Å; F390-I421 HydrophobicContact CB-CG1 4.38Å; F390-I421 HydrophobicContact CD1-CD1 4.43Å; F390-I421 HydrophobicContact CD1-CG1 3.99Å; F390-I421 HydrophobicContact CD2-CD1 4.15Å; F390-I421 HydrophobicContact CD2-CG1 4.32Å; F390-I421 HydrophobicContact CE1-CD1 4.39Å; F390-I421 HydrophobicContact CE1-CG1 4.32Å; F390-I421 HydrophobicContact CE2-CD1 4.1Å; F390-I421 HydrophobicContact CG-CD1 4.3Å; F390-I421 HydrophobicContact CG-CG1 3.98Å; F390-I421 HydrophobicContact CZ-CD1 4.22Å
391	L	90.6	Very high	88	Confident	59 Å²	59	53.9 Å²	53.9	31%	0.309	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-34.7	178.6	-179.7	63.4	0	0	0	112.3	D387 L393 V394 Y420	D387-L391 PolarHBondContact O-N 3.25Å; L391-L393 PolarHBondContact O-N 2.61Å; L391-V394 WeakPolarHBondContact O-CB 3.16Å; L391-V394 PolarHBondContact O-N 3.45Å; L391-V394 VanDerWaalsContact O-N 3.1Å; L391-Y420 HydrophobicContact CB-CD2 4.47Å; L391-Y420 HydrophobicContact CB-CE2 4.32Å; L391-Y420 HydrophobicContact CD1-CD1 4.35Å; L391-Y420 HydrophobicContact CD1-CE1 3.79Å; L391-Y420 HydrophobicContact CD1-CE2 4.11Å
392	T	86.9	Confident	88.1	Confident	18 Å²	18	51.1 Å²	51.1	11%	0.11	26%	0.26	C	S	.	.	H	α-helix	trans	-67.5	-20.1	178.2	52	0	0	0	0	113.6	R365 I368 F390 V394 T395 E396	R365-T392 HydrophobicContact CB-CG2 4.35Å; R365-T392 HydrophobicContact CG-CG2 3.69Å; I368-T392 WeakPolarHBondContact CD1-OG1 3.28Å; F390-T392 PolarHBondContact O-N 3.39Å; F390-T392 VanDerWaalsContact O-N 3.13Å; T392-V394 PolarHBondContact O-N 2.99Å; T392-T395 WeakPolarHBondContact CA-OG1 3.26Å; T392-T395 PolarHBondContact O-N 3Å; T392-T395 PolarHBondContact O-OG1 2.53Å; T392-E396 WeakPolarHBondContact O-CB 3.33Å; T392-E396 PolarHBondContact O-N 3.45Å
393	L	86.8	Confident	88.2	Confident	9 Å²	9	54 Å²	54	5%	0.047	27%	0.273	C	S	.	.	H	α-helix	trans	-60.4	-27.4	171.3	-70.4	-179.7	0	0	0	112.4	I368 F390 L391 I421 G424	I368-L393 HydrophobicContact CB-CD2 4.41Å; I368-L393 HydrophobicContact CD1-CD2 3.59Å; I368-L393 HydrophobicContact CD1-CG 3.61Å; I368-L393 HydrophobicContact CG1-CD2 3.62Å; I368-L393 HydrophobicContact CG1-CG 4.23Å; I368-L393 HydrophobicContact CG2-CD2 3.9Å; F390-L393 HydrophobicContact CB-CD1 4.09Å; F390-L393 HydrophobicContact CD1-CD1 3.51Å; F390-L393 HydrophobicContact CD1-CG 4.19Å; F390-L393 HydrophobicContact CE1-CD1 4.37Å; F390-L393 HydrophobicContact CG-CD1 4.21Å; F390-L393 WeakPolarHBondContact O-CB 3.22Å; F390-L393 PolarHBondContact O-N 3.09Å; L391-L393 PolarHBondContact O-N 2.61Å; L393-I421 HydrophobicContact CD1-CG1 4.02Å; L393-G424 VanDerWaalsContact O-CA 3.27Å; L393-G424 WeakPolarHBondContact O-CA 3.48Å
394	V	85.3	Confident	88.6	Confident	74 Å²	74	51.5 Å²	51.5	45%	0.448	25%	0.254	S	S	.	.	H	α-helix	trans	-79.7	-32	179.9	-173.5	0	0	0	0	111.2	L391 T392 Y420 A423	L391-V394 WeakPolarHBondContact O-CB 3.16Å; L391-V394 PolarHBondContact O-N 3.45Å; L391-V394 VanDerWaalsContact O-N 3.1Å; T392-V394 PolarHBondContact O-N 2.99Å; V394-Y420 HydrophobicContact CG2-CD1 3.71Å; V394-Y420 HydrophobicContact CG2-CG 4.21Å; V394-A423 HydrophobicContact CG2-CB 4.18Å
395	T	80.1	Confident	88.8	Confident	109 Å²	109	43.6 Å²	43.6	67%	0.669	23%	0.225	S	C	*	.	H	α-helix	trans	-95.1	-24.7	-174.6	54.7	0	0	0	0	113.5	T392	T392-T395 WeakPolarHBondContact CA-OG1 3.26Å; T392-T395 PolarHBondContact O-N 3Å; T392-T395 PolarHBondContact O-OG1 2.53Å
396	E	77.4	Confident	89	Confident	69 Å²	69	44.8 Å²	44.8	32%	0.322	23%	0.231	S	C	.	.	S	Bend	trans	-117.1	163.6	-173.1	-59.7	-178.7	176.6	0	0	112.2	I368 S369 T392	I368-E396 HydrophobicContact CG2-CB 4.28Å; S369-E396 WeakPolarHBondContact CA-OE2 3.29Å; S369-E396 VanDerWaalsContact CB-OE2 3.27Å; S369-E396 WeakPolarHBondContact CB-OE2 3.44Å; S369-E396 PolarHBondContact N-OE2 2.79Å; S369-E396 VanDerWaalsContact OG-CD 3.28Å; S369-E396 PolarHBondContact OG-OE1 3.01Å; S369-E396 PolarHBondContact OG-OE2 2.64Å; T392-E396 WeakPolarHBondContact O-CB 3.33Å; T392-E396 PolarHBondContact O-N 3.45Å
397	E	76.9	Confident	89.1	Confident	117 Å²	117	41.7 Å²	41.7	55%	0.547	21%	0.212	S	C	.	.	S	Bend	trans	-89.3	-3.7	-176	-56.1	-154.8	142.3	0	0	114.7	G399 R400	E397-G399 VanDerWaalsContact C-N 3.29Å; E397-G399 PolarHBondContact O-N 2.9Å; E397-R400 WeakPolarHBondContact O-CG 3.44Å; E397-R400 PolarHBondContact O-N 2.88Å; E397-R400 IonicContact OE1-CZ 3.42Å; E397-R400 IonicContact OE1-NH1 2.69Å; E397-R400 PolarHBondContact OE1-NH1 3.2Å; E397-R400 IonicContact OE1-NH2 3.76Å; E397-R400 PolarHBondContact OE1-NH2 3.45Å; E397-R400 IonicContact OE2-NH1 3.43Å
398	G	74.3	Confident	89.2	Confident	5 Å²	5	41.4 Å²	41.4	5%	0.052	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-24.6	-169.3	0	0	0	0	0	116.4	I368	I368-G398 VanDerWaalsContact O-CA 3.29Å; I368-G398 WeakPolarHBondContact O-CA 3.44Å
399	G	80.4	Confident	89.2	Confident	3 Å²	3	38.5 Å²	38.5	3%	0.031	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-11.5	179.8	0	0	0	0	0	115.5	E397 N401 L402 G424	E397-G399 VanDerWaalsContact C-N 3.29Å; E397-G399 PolarHBondContact O-N 2.9Å; G399-N401 VanDerWaalsContact C-N 3.29Å; G399-N401 PolarHBondContact O-N 3.49Å; G399-L402 VanDerWaalsContact O-CB 3.29Å; G399-L402 WeakPolarHBondContact O-CB 3.06Å; G399-L402 PolarHBondContact O-N 2.92Å; G399-L402 VanDerWaalsContact O-N 3.11Å; G399-G424 CarbonylContact C-O 3.28Å; G399-G424 VanDerWaalsContact C-O 3.28Å
400	R	87.5	Confident	89.3	Confident	124 Å²	124	38.5 Å²	38.5	47%	0.468	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-25.7	-164.8	-68.9	-174.2	-179.4	167.8	10.5	114.9	E397 S427	E397-R400 WeakPolarHBondContact O-CG 3.44Å; E397-R400 PolarHBondContact O-N 2.88Å; E397-R400 IonicContact OE1-CZ 3.42Å; E397-R400 IonicContact OE1-NH1 2.69Å; E397-R400 PolarHBondContact OE1-NH1 3.2Å; E397-R400 IonicContact OE1-NH2 3.76Å; E397-R400 PolarHBondContact OE1-NH2 3.45Å; E397-R400 IonicContact OE2-NH1 3.43Å; R400-S427 VanDerWaalsContact O-CB 3.23Å; R400-S427 WeakPolarHBondContact O-CB 3.32Å; R400-S427 PolarHBondContact O-OG 2.9Å
401	N	91.6	Very high	89.2	Confident	77 Å²	77	41.7 Å²	41.7	41%	0.412	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-2.5	179.5	-69.1	-41.4	0	0	0	113.1	L372 L374 G399 M403	L372-N401 PolarHBondContact O-ND2 3.39Å; L374-N401 CarbonylContact O-C 3.57Å; L374-N401 VanDerWaalsContact O-C 3.26Å; G399-N401 VanDerWaalsContact C-N 3.29Å; G399-N401 PolarHBondContact O-N 3.49Å; N401-M403 WeakPolarHBondContact O-CG 3.42Å; N401-M403 PolarHBondContact O-N 3.35Å
402	L	94.6	Very high	89.4	Confident	8 Å²	8	41.1 Å²	41.1	4%	0.042	22%	0.215	C	C	.	.			trans	-66.7	121.2	-177.9	-163.8	69.9	0	0	0	109.9	L374 L377 G399 L405 S427 L428	L374-L402 HydrophobicContact CD2-CD1 4.41Å; L374-L402 HydrophobicContact CG-CD1 4.38Å; L374-L402 WeakPolarHBondContact O-CA 3.41Å; L374-L402 PolarHBondContact O-N 3.14Å; L377-L402 HydrophobicContact CB-CD1 3.8Å; G399-L402 VanDerWaalsContact O-CB 3.29Å; G399-L402 WeakPolarHBondContact O-CB 3.06Å; G399-L402 PolarHBondContact O-N 2.92Å; G399-L402 VanDerWaalsContact O-N 3.11Å; L402-L405 HydrophobicContact CD2-CB 4.11Å; L402-L405 HydrophobicContact CD2-CD1 4.26Å; L402-L405 HydrophobicContact CD2-CD2 4.38Å; L402-L405 HydrophobicContact CD2-CG 4.47Å; L402-S427 CarbonylContact O-C 3.18Å; L402-L428 HydrophobicContact CD2-CD1 4.38Å; L402-L428 HydrophobicContact CG-CD1 4.25Å; L402-L428 WeakPolarHBondContact O-CA 3.42Å; L402-L428 PolarHBondContact O-N 3.16Å
403	M	95.9	Very high	89.7	Confident	59 Å²	59	40.9 Å²	40.9	29%	0.291	21%	0.213	S	C	.	.			trans	-109.3	-30.1	-178.8	-59.5	-165.4	-163.8	0	0	112.2	Q375 N401 K429 E430	Q375-M403 HydrophobicContact CG-CE 4.46Å; Q375-M403 PolarHBondContact O-N 2.98Å; N401-M403 WeakPolarHBondContact O-CG 3.42Å; N401-M403 PolarHBondContact O-N 3.35Å; M403-K429 HydrophobicContact CB-CD 4.45Å; M403-K429 HydrophobicContact CG-CD 4.49Å; M403-K429 WeakPolarHBondContact O-CA 3.23Å; M403-K429 PolarHBondContact O-N 3.28Å; M403-K429 HydrophobicContact SD-CD 4.08Å; M403-K429 PolarHBondContact SD-NZ 3.04Å; M403-K429 VanDerWaalsContact SD-NZ 3.39Å; M403-E430 PolarHBondContact O-N 3.34Å
404	H	97.8	Very high	90.1	Very high	25 Å²	25	43.5 Å²	43.5	12%	0.116	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.2	179.6	-175.5	105.1	0	0	0	110.5	Q375 Y376 L377 E430	Q375-H404 PolarHBondContact O-N 2.93Å; Y376-H404 WeakPolarHBondContact CA-O 3.08Å; Y376-H404 HydrophobicContact CD2-CB 3.61Å; Y376-H404 AromaticContact CD2-CD2 3.26Å; Y376-H404 WeakPolarHBondContact CD2-CD2 3.38Å; Y376-H404 AromaticContact CD2-CG 3.42Å; Y376-H404 VanDerWaalsContact CD2-CG 3.42Å; Y376-H404 AromaticContact CD2-NE2 3.98Å; Y376-H404 HydrophobicContact CE2-CB 4.21Å; Y376-H404 AromaticContact CE2-CD2 2.97Å; Y376-H404 WeakPolarHBondContact CE2-CD2 3.19Å; Y376-H404 AromaticContact CE2-CE1 3.83Å; Y376-H404 AromaticContact CE2-CG 3.49Å; Y376-H404 VanDerWaalsContact CE2-CG 3.49Å; Y376-H404 AromaticContact CE2-ND1 3.96Å; Y376-H404 AromaticContact CE2-NE2 3.22Å; Y376-H404 WeakPolarHBondContact CE2-NE2 3.48Å; Y376-H404 HydrophobicContact CG-CB 4.27Å; Y376-H404 AromaticContact CZ-CD2 3.56Å; Y376-H404 AromaticContact CZ-NE2 3.66Å; L377-H404 PolarHBondContact N-O 3.37Å; H404-E430 WeakPolarHBondContact CA-O 3.28Å; H404-E430 HydrophobicContact CB-CB 4.46Å; H404-E430 VanDerWaalsContact CE1-CD 3.43Å; H404-E430 IonicContact CE1-OE2 2.91Å; H404-E430 PolarHBondContact CE1-OE2 3.15Å; H404-E430 VanDerWaalsContact CE1-OE2 3.32Å; H404-E430 VanDerWaalsContact ND1-CG 3.29Å; H404-E430 WeakPolarHBondContact ND1-CG 3.31Å; H404-E430 IonicContact ND1-OE2 3.88Å; H404-E430 PolarHBondContact ND1-OE2 2.76Å
405	L	97.6	Very high	90.5	Very high	1 Å²	1	42 Å²	42	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	122.9	176.6	179.4	60.2	0	0	0	110.1	L377 L379 L402 L407 I421 L428 E430 V431 V432	L377-L405 HydrophobicContact CB-CD1 4.16Å; L377-L405 HydrophobicContact CD2-CD1 4.28Å; L377-L405 HydrophobicContact CG-CD1 4.27Å; L377-L405 WeakPolarHBondContact O-CA 3.46Å; L379-L405 HydrophobicContact CD1-CD1 4.24Å; L402-L405 HydrophobicContact CD2-CB 4.11Å; L402-L405 HydrophobicContact CD2-CD1 4.26Å; L402-L405 HydrophobicContact CD2-CD2 4.38Å; L402-L405 HydrophobicContact CD2-CG 4.47Å; L405-L407 HydrophobicContact CD1-CD2 4.02Å; L405-L407 HydrophobicContact CD1-CG 4.3Å; L405-L407 HydrophobicContact CD2-CD1 3.91Å; L405-L407 HydrophobicContact CD2-CD2 4.33Å; L405-L407 HydrophobicContact CD2-CG 4.13Å; L405-L407 HydrophobicContact CG-CD1 4.21Å; L405-L407 HydrophobicContact CG-CD2 4.15Å; L405-L407 HydrophobicContact CG-CG 3.9Å; L405-I421 HydrophobicContact CD2-CD1 4Å; L405-I421 HydrophobicContact CD2-CG1 4.37Å; L405-I421 HydrophobicContact CD2-CG2 3.83Å; L405-L428 HydrophobicContact CB-CD1 3.9Å; L405-E430 PolarHBondContact N-O 3.27Å; L405-E430 VanDerWaalsContact N-O 3.07Å; L405-V431 WeakPolarHBondContact O-CA 3.26Å; L405-V432 PolarHBondContact O-N 3.19Å
406	D	98.1	Very high	91.2	Very high	24 Å²	24	41.5 Å²	41.5	13%	0.128	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	115.3	174.9	-178.7	5.8	0	0	0	110.3	L377 L379 S408 V432	L377-D406 PolarHBondContact O-N 3.04Å; L379-D406 CarbonylContact C-O 3.48Å; L379-D406 WeakPolarHBondContact CA-O 3.49Å; L379-D406 WeakPolarHBondContact CB-O 3.45Å; L379-D406 PolarHBondContact N-O 3.16Å; D406-S408 VanDerWaalsContact OD1-CB 3.27Å; D406-S408 WeakPolarHBondContact OD1-CB 3.5Å; D406-S408 PolarHBondContact OD1-N 2.89Å; D406-S408 PolarHBondContact OD1-OG 3.35Å; D406-V432 HydrophobicContact CB-CB 4.18Å
407	L	97.2	Very high	92	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.			trans	-116.1	18.2	-179.9	-61	170.9	0	0	0	111.5	L379 F390 L405 A409 C410 M413 F418 I421 V432 M433	L379-L407 HydrophobicContact CB-CD2 4.4Å; L379-L407 HydrophobicContact CD1-CD2 4.03Å; F390-L407 HydrophobicContact CE2-CD2 4.32Å; F390-L407 HydrophobicContact CZ-CD2 3.9Å; L405-L407 HydrophobicContact CD1-CD2 4.02Å; L405-L407 HydrophobicContact CD1-CG 4.3Å; L405-L407 HydrophobicContact CD2-CD1 3.91Å; L405-L407 HydrophobicContact CD2-CD2 4.33Å; L405-L407 HydrophobicContact CD2-CG 4.13Å; L405-L407 HydrophobicContact CG-CD1 4.21Å; L405-L407 HydrophobicContact CG-CD2 4.15Å; L405-L407 HydrophobicContact CG-CG 3.9Å; L407-A409 PolarHBondContact O-N 3.17Å; L407-C410 HydrophobicContact CB-CB 4.44Å; L407-C410 WeakPolarHBondContact O-CB 3.08Å; L407-C410 PolarHBondContact O-N 2.96Å; L407-C410 PolarHBondContact O-SG 3Å; L407-M413 HydrophobicContact CB-SD 4.43Å; L407-M413 HydrophobicContact CD1-CE 4.01Å; L407-M413 HydrophobicContact CD1-SD 3.92Å; L407-M413 HydrophobicContact CD2-SD 3.91Å; L407-M413 HydrophobicContact CG-SD 4.3Å; L407-F418 HydrophobicContact CD1-CE1 3.94Å; L407-I421 HydrophobicContact CD1-CD1 3.77Å; L407-V432 PolarHBondContact N-O 3.26Å; L407-M433 HydrophobicContact CB-CG 4.33Å
408	S	96.6	Very high	92.9	Very high	9 Å²	9	32.7 Å²	32.7	6%	0.063	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	136.3	-174.7	-54.4	0	0	0	0	111.6	A380 H381 D406 C410 V432 N434	A380-S408 CarbonylContact C-O 3.32Å; A380-S408 WeakPolarHBondContact CA-O 3.42Å; H381-S408 PolarHBondContact N-O 2.66Å; D406-S408 VanDerWaalsContact OD1-CB 3.27Å; D406-S408 WeakPolarHBondContact OD1-CB 3.5Å; D406-S408 PolarHBondContact OD1-N 2.89Å; D406-S408 PolarHBondContact OD1-OG 3.35Å; S408-C410 PolarHBondContact O-N 3.23Å; S408-C410 VanDerWaalsContact O-N 3.14Å; S408-V432 VanDerWaalsContact OG-CG1 3.3Å; S408-V432 WeakPolarHBondContact OG-CG1 3.35Å; S408-N434 CarbonylContact C-O 3.26Å; S408-N434 WeakPolarHBondContact CA-O 3.41Å; S408-N434 WeakPolarHBondContact CB-O 3.47Å; S408-N434 PolarHBondContact OG-N 3.39Å
409	A	93.6	Very high	93.9	Very high	15 Å²	15	37.2 Å²	37.2	12%	0.124	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	18.1	-175.9	0	0	0	0	0	116.3	H381 L407 V411 N434 D435	H381-A409 WeakPolarHBondContact CE1-CB 3.21Å; H381-A409 VanDerWaalsContact ND1-CB 3.32Å; H381-A409 WeakPolarHBondContact ND1-CB 3.31Å; L407-A409 PolarHBondContact O-N 3.17Å; A409-V411 PolarHBondContact O-N 2.98Å; A409-N434 PolarHBondContact N-O 3.43Å; A409-D435 HydrophobicContact CB-CB 4.37Å
410	C	94	Very high	94.6	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.007	19%	0.193	C	C	.	.			trans	-81.2	62.5	169.9	-65.5	0	0	0	0	111.2	L379 F385 L407 S408 Q412 M413	L379-C410 PolarHBondContact O-SG 2.89Å; F385-C410 HydrophobicContact CZ-CB 3.96Å; L407-C410 HydrophobicContact CB-CB 4.44Å; L407-C410 WeakPolarHBondContact O-CB 3.08Å; L407-C410 PolarHBondContact O-N 2.96Å; L407-C410 PolarHBondContact O-SG 3Å; S408-C410 PolarHBondContact O-N 3.23Å; S408-C410 VanDerWaalsContact O-N 3.14Å; C410-Q412 VanDerWaalsContact CA-OE1 3.24Å; C410-Q412 PolarHBondContact O-N 3.32Å; C410-Q412 PolarHBondContact O-OE1 3.49Å; C410-M413 HydrophobicContact CB-CG 4.22Å; C410-M413 HydrophobicContact CB-SD 4.07Å; C410-M413 PolarHBondContact O-N 3.34Å
411	V	90.9	Very high	94.9	Very high	70 Å²	70	32.7 Å²	32.7	42%	0.424	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-15.9	-171.9	-58.6	0	0	0	0	115	A409 M413 P437 S438	A409-V411 PolarHBondContact O-N 2.98Å; V411-M413 VanDerWaalsContact C-N 3.31Å; V411-P437 HydrophobicContact CG1-CG 4.27Å; V411-S438 PolarHBondContact O-OG 2.88Å
412	Q	93.2	Very high	95	Very high	47 Å²	47	29.2 Å²	29.2	22%	0.22	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-7.7	-179.1	77.7	-74.7	4.9	0	0	114.1	C382 F385 C410	C382-Q412 PolarHBondContact O-NE2 3.28Å; F385-Q412 WeakPolarHBondContact O-CG 3.42Å; F385-Q412 PolarHBondContact O-NE2 2.9Å; C410-Q412 VanDerWaalsContact CA-OE1 3.24Å; C410-Q412 PolarHBondContact O-N 3.32Å; C410-Q412 PolarHBondContact O-OE1 3.49Å
413	M	94.6	Very high	94.9	Very high	12 Å²	12	30.3 Å²	30.3	6%	0.059	16%	0.163	C	C	.	.			trans	-74.5	142.4	176.9	-67.8	-171.9	63.1	0	0	111.7	F385 D387 F390 L407 C410 V411 F418 I421	F385-M413 HydrophobicContact CE2-CG 3.9Å; F385-M413 HydrophobicContact CE2-SD 3.92Å; F385-M413 HydrophobicContact CZ-SD 4.21Å; D387-M413 WeakPolarHBondContact OD1-CA 3.23Å; F390-M413 HydrophobicContact CD2-CE 4.03Å; F390-M413 HydrophobicContact CE2-CE 3.77Å; F390-M413 HydrophobicContact CE2-SD 4.05Å; L407-M413 HydrophobicContact CB-SD 4.43Å; L407-M413 HydrophobicContact CD1-CE 4.01Å; L407-M413 HydrophobicContact CD1-SD 3.92Å; L407-M413 HydrophobicContact CD2-SD 3.91Å; L407-M413 HydrophobicContact CG-SD 4.3Å; C410-M413 HydrophobicContact CB-CG 4.22Å; C410-M413 HydrophobicContact CB-SD 4.07Å; C410-M413 PolarHBondContact O-N 3.34Å; V411-M413 VanDerWaalsContact C-N 3.31Å; M413-F418 HydrophobicContact CB-CE2 4.03Å; M413-F418 HydrophobicContact CB-CZ 4.18Å; M413-F418 HydrophobicContact CE-CD1 4.41Å; M413-F418 HydrophobicContact CE-CE1 4.07Å; M413-F418 HydrophobicContact CE-CE2 4.36Å; M413-F418 HydrophobicContact CE-CZ 4.03Å; M413-F418 HydrophobicContact SD-CZ 4.39Å; M413-I421 HydrophobicContact CE-CD1 3.61Å
414	T	94.3	Very high	94.6	Very high	64 Å²	64	27.8 Å²	27.8	39%	0.393	15%	0.152	S	C	.	.			trans	-111.8	171	174.6	88.8	0	0	0	0	110.8	D387 K416 G417 F418	D387-T414 PolarHBondContact OD1-N 3.08Å; D387-T414 VanDerWaalsContact OD2-CB 3.32Å; D387-T414 WeakPolarHBondContact OD2-CB 3.33Å; D387-T414 WeakPolarHBondContact OD2-CG2 3.33Å; D387-T414 PolarHBondContact OD2-OG1 3.28Å; T414-K416 PolarHBondContact O-N 2.63Å; T414-K416 PolarHBondContact OG1-N 2.88Å; T414-G417 PolarHBondContact O-N 3.05Å; T414-F418 VanDerWaalsContact O-CD2 3.24Å; T414-F418 WeakPolarHBondContact O-CD2 3.38Å
415	P	94.8	Very high	94.4	Very high	43 Å²	43	26.6 Å²	26.6	28%	0.279	15%	0.147	S	C	.	.	H	α-helix	trans	-49.1	-32.7	175.1	-28.2	34.6	0	0	0	113.9	G417 F418 E419	P415-G417 PolarHBondContact O-N 3.12Å; P415-F418 PolarHBondContact O-N 2.99Å; P415-E419 PolarHBondContact O-N 3.5Å; P415-E419 VanDerWaalsContact O-N 3.08Å
416	K	93.9	Very high	94	Very high	99 Å²	99	29.2 Å²	29.2	43%	0.43	16%	0.164	S	C	.	.	H	α-helix	trans	-64.2	-38.2	179	-157.6	-173.2	-165.7	-153.9	0	112.8	T414 F418 E419 Y420	T414-K416 PolarHBondContact O-N 2.63Å; T414-K416 PolarHBondContact OG1-N 2.88Å; K416-F418 VanDerWaalsContact C-N 3.3Å; K416-F418 PolarHBondContact O-N 3.01Å; K416-E419 WeakPolarHBondContact O-CB 3.13Å; K416-E419 PolarHBondContact O-N 3.1Å; K416-Y420 HydrophobicContact CD-CE2 4.22Å; K416-Y420 WeakPolarHBondContact CE-OH 3.44Å; K416-Y420 HydrophobicContact CG-CE1 4.35Å; K416-Y420 HydrophobicContact CG-CE2 4.03Å; K416-Y420 PolarHBondContact NZ-OH 3.49Å; K416-Y420 WeakPolarHBondContact O-CD2 3.48Å; K416-Y420 PolarHBondContact O-N 3.36Å; K416-Y420 VanDerWaalsContact O-N 3.08Å
417	G	95.1	Very high	93.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.6	-40.1	174.7	0	0	0	0	0	112	D387 T414 P415 Y420 I421	D387-G417 WeakPolarHBondContact OD1-CA 3.36Å; T414-G417 PolarHBondContact O-N 3.05Å; P415-G417 PolarHBondContact O-N 3.12Å; G417-Y420 PolarHBondContact O-N 3.46Å; G417-I421 WeakPolarHBondContact O-CG1 3.45Å; G417-I421 PolarHBondContact O-N 3.39Å
418	F	95.4	Very high	93.5	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-68.2	-34.2	175.9	-64.5	-74.9	0	0	0	112.9	L407 M413 T414 P415 K416 I421 S422 M433 M436 L439 C443 L447	L407-F418 HydrophobicContact CD1-CE1 3.94Å; M413-F418 HydrophobicContact CB-CE2 4.03Å; M413-F418 HydrophobicContact CB-CZ 4.18Å; M413-F418 HydrophobicContact CE-CD1 4.41Å; M413-F418 HydrophobicContact CE-CE1 4.07Å; M413-F418 HydrophobicContact CE-CE2 4.36Å; M413-F418 HydrophobicContact CE-CZ 4.03Å; M413-F418 HydrophobicContact SD-CZ 4.39Å; T414-F418 VanDerWaalsContact O-CD2 3.24Å; T414-F418 WeakPolarHBondContact O-CD2 3.38Å; P415-F418 PolarHBondContact O-N 2.99Å; K416-F418 VanDerWaalsContact C-N 3.3Å; K416-F418 PolarHBondContact O-N 3.01Å; F418-I421 PolarHBondContact O-N 3.47Å; F418-S422 WeakPolarHBondContact O-CB 3.46Å; F418-S422 PolarHBondContact O-N 3.28Å; F418-S422 PolarHBondContact O-OG 3.17Å; F418-M433 HydrophobicContact CD1-SD 4.1Å; F418-M433 HydrophobicContact CE1-CG 4.38Å; F418-M433 HydrophobicContact CE1-SD 3.38Å; F418-M433 WeakPolarHBondContact CE1-SD 3.47Å; F418-M433 HydrophobicContact CZ-SD 4.07Å; F418-M436 HydrophobicContact CZ-CE 3.79Å; F418-L439 HydrophobicContact CE2-CD1 4.22Å; F418-L439 HydrophobicContact CZ-CD1 4.04Å; F418-C443 WeakPolarHBondContact CB-O 3.08Å; F418-C443 HydrophobicContact CD2-CB 3.58Å; F418-C443 HydrophobicContact CE2-CB 3.72Å; F418-C443 HydrophobicContact CG-CB 4.3Å; F418-L447 HydrophobicContact CB-CB 4.09Å; F418-L447 HydrophobicContact CD1-CB 4.25Å; F418-L447 HydrophobicContact CD1-CD1 4.38Å
419	E	94.5	Very high	93.5	Very high	99 Å²	99	34.7 Å²	34.7	46%	0.463	19%	0.191	S	C	.	.	H	α-helix	trans	-64	-39	171.5	-69.4	175.2	-177.5	0	0	112.3	P415 K416 S422 A423	P415-E419 PolarHBondContact O-N 3.5Å; P415-E419 VanDerWaalsContact O-N 3.08Å; K416-E419 WeakPolarHBondContact O-CB 3.13Å; K416-E419 PolarHBondContact O-N 3.1Å; E419-S422 PolarHBondContact O-N 3.37Å; E419-S422 PolarHBondContact O-OG 3.44Å; E419-A423 WeakPolarHBondContact O-CB 3.31Å; E419-A423 PolarHBondContact O-N 3.32Å
420	Y	94.9	Very high	93.6	Very high	32 Å²	32	37.2 Å²	37.2	13%	0.125	20%	0.2	C	C	.	.	H	α-helix	trans	-65.1	-42.3	174.7	-61.6	-30.9	0	0	0	112.1	D387 L391 V394 K416 G417 A423 G424	D387-Y420 HydrophobicContact CB-CD2 4.44Å; D387-Y420 HydrophobicContact CB-CE2 4.3Å; D387-Y420 WeakPolarHBondContact O-CD2 3.42Å; L391-Y420 HydrophobicContact CB-CD2 4.47Å; L391-Y420 HydrophobicContact CB-CE2 4.32Å; L391-Y420 HydrophobicContact CD1-CD1 4.35Å; L391-Y420 HydrophobicContact CD1-CE1 3.79Å; L391-Y420 HydrophobicContact CD1-CE2 4.11Å; V394-Y420 HydrophobicContact CG2-CD1 3.71Å; V394-Y420 HydrophobicContact CG2-CG 4.21Å; K416-Y420 HydrophobicContact CD-CE2 4.22Å; K416-Y420 WeakPolarHBondContact CE-OH 3.44Å; K416-Y420 HydrophobicContact CG-CE1 4.35Å; K416-Y420 HydrophobicContact CG-CE2 4.03Å; K416-Y420 PolarHBondContact NZ-OH 3.49Å; K416-Y420 WeakPolarHBondContact O-CD2 3.48Å; K416-Y420 PolarHBondContact O-N 3.36Å; K416-Y420 VanDerWaalsContact O-N 3.08Å; G417-Y420 PolarHBondContact O-N 3.46Å; Y420-A423 PolarHBondContact O-N 3.3Å; Y420-G424 PolarHBondContact O-N 3.27Å; Y420-G424 VanDerWaalsContact O-N 3.09Å
421	I	94.8	Very high	93.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.1	-46.7	175.1	-68.4	163.8	0	0	0	110.5	F390 L393 L405 L407 M413 G417 F418 A423 G424 C425 L428 L447	F390-I421 HydrophobicContact CB-CG1 4.38Å; F390-I421 HydrophobicContact CD1-CD1 4.43Å; F390-I421 HydrophobicContact CD1-CG1 3.99Å; F390-I421 HydrophobicContact CD2-CD1 4.15Å; F390-I421 HydrophobicContact CD2-CG1 4.32Å; F390-I421 HydrophobicContact CE1-CD1 4.39Å; F390-I421 HydrophobicContact CE1-CG1 4.32Å; F390-I421 HydrophobicContact CE2-CD1 4.1Å; F390-I421 HydrophobicContact CG-CD1 4.3Å; F390-I421 HydrophobicContact CG-CG1 3.98Å; F390-I421 HydrophobicContact CZ-CD1 4.22Å; L393-I421 HydrophobicContact CD1-CG1 4.02Å; L405-I421 HydrophobicContact CD2-CD1 4Å; L405-I421 HydrophobicContact CD2-CG1 4.37Å; L405-I421 HydrophobicContact CD2-CG2 3.83Å; L407-I421 HydrophobicContact CD1-CD1 3.77Å; M413-I421 HydrophobicContact CE-CD1 3.61Å; G417-I421 WeakPolarHBondContact O-CG1 3.45Å; G417-I421 PolarHBondContact O-N 3.39Å; F418-I421 PolarHBondContact O-N 3.47Å; I421-A423 VanDerWaalsContact C-N 3.29Å; I421-A423 PolarHBondContact O-N 3.3Å; I421-G424 PolarHBondContact O-N 2.95Å; I421-C425 HydrophobicContact CG2-CB 4.42Å; I421-C425 WeakPolarHBondContact O-CB 3.41Å; I421-C425 PolarHBondContact O-N 3.28Å; I421-L428 HydrophobicContact CG2-CD2 4.24Å; I421-L447 HydrophobicContact CB-CD1 4.41Å; I421-L447 HydrophobicContact CG2-CD1 3.82Å
422	S	93.3	Very high	94.1	Very high	5 Å²	5	34.8 Å²	34.8	4%	0.035	19%	0.185	C	C	.	.	H	α-helix	trans	-63.7	-37.2	-178.7	75.4	0	0	0	0	112.4	F418 E419 G446 L447 R450	F418-S422 WeakPolarHBondContact O-CB 3.46Å; F418-S422 PolarHBondContact O-N 3.28Å; F418-S422 PolarHBondContact O-OG 3.17Å; E419-S422 PolarHBondContact O-N 3.37Å; E419-S422 PolarHBondContact O-OG 3.44Å; S422-G446 VanDerWaalsContact CB-O 3.23Å; S422-G446 WeakPolarHBondContact CB-O 3.27Å; S422-G446 PolarHBondContact OG-O 2.58Å; S422-L447 WeakPolarHBondContact CB-O 3.34Å; S422-R450 WeakPolarHBondContact O-CB 3.31Å
423	A	92.1	Very high	94.3	Very high	31 Å²	31	32.5 Å²	32.5	26%	0.256	18%	0.175	S	C	.	.	H	α-helix	trans	-68	-37.8	176.4	0	0	0	0	0	113.8	V394 E419 Y420 I421	V394-A423 HydrophobicContact CG2-CB 4.18Å; E419-A423 WeakPolarHBondContact O-CB 3.31Å; E419-A423 PolarHBondContact O-N 3.32Å; Y420-A423 PolarHBondContact O-N 3.3Å; I421-A423 VanDerWaalsContact C-N 3.29Å; I421-A423 PolarHBondContact O-N 3.3Å
424	G	90.6	Very high	94.3	Very high	6 Å²	6	33.1 Å²	33.1	6%	0.062	18%	0.178	C	C	.	.	H	α-helix	trans	-96.5	-18.1	-175.2	0	0	0	0	0	116.2	L393 G399 Y420 I421 P426	L393-G424 VanDerWaalsContact O-CA 3.27Å; L393-G424 WeakPolarHBondContact O-CA 3.48Å; G399-G424 CarbonylContact C-O 3.28Å; G399-G424 VanDerWaalsContact C-O 3.28Å; Y420-G424 PolarHBondContact O-N 3.27Å; Y420-G424 VanDerWaalsContact O-N 3.09Å; I421-G424 PolarHBondContact O-N 2.95Å; G424-P426 VanDerWaalsContact O-CD 3.28Å; G424-P426 WeakPolarHBondContact O-CD 3.37Å
425	C	92.6	Very high	94.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.183	C	C	.	.			trans	-120	64.6	-175.9	-55.9	0	0	0	0	112.6	I421 S427 L428 C451	I421-C425 HydrophobicContact CG2-CB 4.42Å; I421-C425 WeakPolarHBondContact O-CB 3.41Å; I421-C425 PolarHBondContact O-N 3.28Å; C425-S427 VanDerWaalsContact C-N 3.27Å; C425-S427 PolarHBondContact O-N 3.3Å; C425-L428 HydrophobicContact CB-CB 4.43Å; C425-L428 WeakPolarHBondContact O-CB 3.1Å; C425-L428 PolarHBondContact O-N 3.31Å; C425-C451 PolarHBondContact O-SG 3.38Å
426	P	88.9	Confident	94.2	Very high	56 Å²	56	32.5 Å²	32.5	36%	0.364	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-22.5	-177.2	28.8	-36.4	0	0	0	114	G424 L428	G424-P426 VanDerWaalsContact O-CD 3.28Å; G424-P426 WeakPolarHBondContact O-CD 3.37Å; P426-L428 VanDerWaalsContact C-N 3.28Å; P426-L428 PolarHBondContact O-N 3.1Å
427	S	90.8	Very high	94	Very high	47 Å²	47	31.4 Å²	31.4	33%	0.329	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	7.6	-178	-53.5	0	0	0	0	113.9	R400 L402 C425 K429	R400-S427 VanDerWaalsContact O-CB 3.23Å; R400-S427 WeakPolarHBondContact O-CB 3.32Å; R400-S427 PolarHBondContact O-OG 2.9Å; L402-S427 CarbonylContact O-C 3.18Å; C425-S427 VanDerWaalsContact C-N 3.27Å; C425-S427 PolarHBondContact O-N 3.3Å; S427-K429 PolarHBondContact O-N 2.93Å
428	L	94.7	Very high	93.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.192	C	C	.	.			trans	-64.7	123.8	-174	-161.7	62.2	0	0	0	110.7	L402 L405 I421 C425 P426 V431 L447 S453 L454	L402-L428 HydrophobicContact CD2-CD1 4.38Å; L402-L428 HydrophobicContact CG-CD1 4.25Å; L402-L428 WeakPolarHBondContact O-CA 3.42Å; L402-L428 PolarHBondContact O-N 3.16Å; L405-L428 HydrophobicContact CB-CD1 3.9Å; I421-L428 HydrophobicContact CG2-CD2 4.24Å; C425-L428 HydrophobicContact CB-CB 4.43Å; C425-L428 WeakPolarHBondContact O-CB 3.1Å; C425-L428 PolarHBondContact O-N 3.31Å; P426-L428 VanDerWaalsContact C-N 3.28Å; P426-L428 PolarHBondContact O-N 3.1Å; L428-V431 HydrophobicContact CD1-CG2 4.31Å; L428-V431 HydrophobicContact CD2-CG2 3.17Å; L428-V431 HydrophobicContact CG-CG2 3.59Å; L428-L447 HydrophobicContact CD2-CD1 4.49Å; L428-S453 CarbonylContact O-C 3.42Å; L428-L454 PolarHBondContact O-N 2.81Å
429	K	95.6	Very high	93.8	Very high	100 Å²	100	34.1 Å²	34.1	44%	0.435	19%	0.192	S	C	.	.			trans	-107.5	-28.6	-176.6	-70.1	178.9	-176.1	165.2	0	112.5	M403 S427 S455 S456	M403-K429 HydrophobicContact CB-CD 4.45Å; M403-K429 HydrophobicContact CG-CD 4.49Å; M403-K429 WeakPolarHBondContact O-CA 3.23Å; M403-K429 PolarHBondContact O-N 3.28Å; M403-K429 HydrophobicContact SD-CD 4.08Å; M403-K429 PolarHBondContact SD-NZ 3.04Å; M403-K429 VanDerWaalsContact SD-NZ 3.39Å; S427-K429 PolarHBondContact O-N 2.93Å; K429-S455 WeakPolarHBondContact O-CA 3.06Å; K429-S455 PolarHBondContact O-N 2.65Å; K429-S455 PolarHBondContact O-OG 3.17Å; K429-S456 PolarHBondContact O-N 3.45Å
430	E	97.1	Very high	93.8	Very high	69 Å²	69	30.9 Å²	30.9	32%	0.322	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	131.1	-178.8	-177.8	161.6	-142.3	0	0	111.2	M403 H404 L405 V432 S456	M403-E430 PolarHBondContact O-N 3.34Å; H404-E430 WeakPolarHBondContact CA-O 3.28Å; H404-E430 HydrophobicContact CB-CB 4.46Å; H404-E430 VanDerWaalsContact CE1-CD 3.43Å; H404-E430 IonicContact CE1-OE2 2.91Å; H404-E430 PolarHBondContact CE1-OE2 3.15Å; H404-E430 VanDerWaalsContact CE1-OE2 3.32Å; H404-E430 VanDerWaalsContact ND1-CG 3.29Å; H404-E430 WeakPolarHBondContact ND1-CG 3.31Å; H404-E430 IonicContact ND1-OE2 3.88Å; H404-E430 PolarHBondContact ND1-OE2 2.76Å; L405-E430 PolarHBondContact N-O 3.27Å; L405-E430 VanDerWaalsContact N-O 3.07Å; E430-V432 HydrophobicContact CG-CG2 4.44Å; E430-S456 VanDerWaalsContact CA-O 3.31Å; E430-S456 WeakPolarHBondContact CA-O 3.12Å; E430-S456 PolarHBondContact OE1-OG 3.27Å
431	V	97.1	Very high	93.9	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	130.2	173.4	176.4	0	0	0	0	109.7	L405 L428 M433 L447 L454 S456 I457 S458	L405-V431 WeakPolarHBondContact O-CA 3.26Å; L428-V431 HydrophobicContact CD1-CG2 4.31Å; L428-V431 HydrophobicContact CD2-CG2 3.17Å; L428-V431 HydrophobicContact CG-CG2 3.59Å; V431-M433 HydrophobicContact CG1-CE 3.68Å; V431-M433 HydrophobicContact CG1-CG 3.71Å; V431-M433 HydrophobicContact CG1-SD 3.98Å; V431-L447 HydrophobicContact CB-CD2 4.46Å; V431-L447 HydrophobicContact CG1-CD2 4Å; V431-L447 HydrophobicContact CG2-CD2 4.35Å; V431-L454 HydrophobicContact CB-CD1 4.29Å; V431-L454 HydrophobicContact CG2-CD1 3.81Å; V431-S456 PolarHBondContact N-O 2.97Å; V431-S456 VanDerWaalsContact N-O 3.14Å; V431-I457 WeakPolarHBondContact O-CA 3.42Å; V431-S458 PolarHBondContact O-N 3.11Å
432	V	97.9	Very high	93.9	Very high	18 Å²	18	34.7 Å²	34.7	11%	0.109	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	119.4	174.8	-169.6	0	0	0	0	108	L405 D406 L407 S408 E430 N434	L405-V432 PolarHBondContact O-N 3.19Å; D406-V432 HydrophobicContact CB-CB 4.18Å; L407-V432 PolarHBondContact N-O 3.26Å; S408-V432 VanDerWaalsContact OG-CG1 3.3Å; S408-V432 WeakPolarHBondContact OG-CG1 3.35Å; E430-V432 HydrophobicContact CG-CG2 4.44Å; V432-N434 HydrophobicContact CG1-CB 4.5Å; V432-N434 WeakPolarHBondContact CG1-ND2 3.49Å
433	M	96.6	Very high	94	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.205	C	C	.	.			trans	-132.1	54	178.9	-67.9	175.4	-72	0	0	109	L407 F418 V431 M436 L439 L447 I457 S458 L459 C462	L407-M433 HydrophobicContact CB-CG 4.33Å; F418-M433 HydrophobicContact CD1-SD 4.1Å; F418-M433 HydrophobicContact CE1-CG 4.38Å; F418-M433 HydrophobicContact CE1-SD 3.38Å; F418-M433 WeakPolarHBondContact CE1-SD 3.47Å; F418-M433 HydrophobicContact CZ-SD 4.07Å; V431-M433 HydrophobicContact CG1-CE 3.68Å; V431-M433 HydrophobicContact CG1-CG 3.71Å; V431-M433 HydrophobicContact CG1-SD 3.98Å; M433-M436 HydrophobicContact CB-CE 3.89Å; M433-M436 HydrophobicContact CB-SD 4.12Å; M433-M436 HydrophobicContact CG-CE 4.19Å; M433-M436 HydrophobicContact CG-SD 4.49Å; M433-M436 HydrophobicContact SD-CE 4.35Å; M433-L439 HydrophobicContact CB-CD2 4.18Å; M433-L439 HydrophobicContact SD-CD1 4.19Å; M433-L439 HydrophobicContact SD-CD2 4.4Å; M433-L447 HydrophobicContact CE-CD2 3.56Å; M433-L447 HydrophobicContact SD-CD2 4.09Å; M433-I457 HydrophobicContact CE-CD1 4.14Å; M433-I457 HydrophobicContact CE-CG1 4.39Å; M433-S458 PolarHBondContact N-O 2.95Å; M433-L459 HydrophobicContact CB-CD2 4.19Å; M433-L459 HydrophobicContact CE-CD2 3.52Å; M433-C462 PolarHBondContact O-SG 3.06Å
434	N	95.6	Very high	94.1	Very high	25 Å²	25	33.1 Å²	33.1	13%	0.134	19%	0.193	C	C	.	.			trans	-78.7	159	-178.8	-60.7	-19.3	0	0	0	111.1	S408 A409 V432 M436 S458 L459 L460	S408-N434 CarbonylContact C-O 3.26Å; S408-N434 WeakPolarHBondContact CA-O 3.41Å; S408-N434 WeakPolarHBondContact CB-O 3.47Å; S408-N434 PolarHBondContact OG-N 3.39Å; A409-N434 PolarHBondContact N-O 3.43Å; V432-N434 HydrophobicContact CG1-CB 4.5Å; V432-N434 WeakPolarHBondContact CG1-ND2 3.49Å; N434-M436 WeakPolarHBondContact O-CG 3.32Å; N434-M436 PolarHBondContact O-N 3.06Å; N434-S458 PolarHBondContact ND2-OG 3.46Å; N434-S458 VanDerWaalsContact OD1-C 3.25Å; N434-S458 WeakPolarHBondContact OD1-CB 3.48Å; N434-S458 PolarHBondContact OD1-O 3.46Å; N434-S458 PolarHBondContact OD1-OG 3.15Å; N434-L459 PolarHBondContact OD1-N 2.92Å; N434-L460 CarbonylContact C-O 3.47Å; N434-L460 WeakPolarHBondContact CA-O 3.38Å; N434-L460 HydrophobicContact CB-CB 4.09Å; N434-L460 WeakPolarHBondContact OD1-CG 3.41Å; N434-L460 PolarHBondContact OD1-N 2.67Å
435	D	93.1	Very high	94.3	Very high	91 Å²	91	37.4 Å²	37.4	49%	0.487	21%	0.214	S	C	.	.	S	Bend	trans	53.4	38.8	174.1	-56.6	-50	0	0	0	113.2	A409 P437 L460	A409-D435 HydrophobicContact CB-CB 4.37Å; D435-P437 WeakPolarHBondContact O-CD 3.37Å; D435-L460 PolarHBondContact N-O 3.44Å
436	M	92.9	Very high	94.3	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.015	21%	0.214	C	C	.	.			trans	-109.9	87.5	177.2	-59.1	-157.9	-21.8	0	0	110.5	F418 M433 N434 S438 L439	F418-M436 HydrophobicContact CZ-CE 3.79Å; M433-M436 HydrophobicContact CB-CE 3.89Å; M433-M436 HydrophobicContact CB-SD 4.12Å; M433-M436 HydrophobicContact CG-CE 4.19Å; M433-M436 HydrophobicContact CG-SD 4.49Å; M433-M436 HydrophobicContact SD-CE 4.35Å; N434-M436 WeakPolarHBondContact O-CG 3.32Å; N434-M436 PolarHBondContact O-N 3.06Å; M436-S438 PolarHBondContact O-N 2.83Å; M436-L439 HydrophobicContact CB-CB 3.87Å; M436-L439 HydrophobicContact CE-CB 3.74Å; M436-L439 HydrophobicContact CE-CD1 3.42Å; M436-L439 VanDerWaalsContact CE-CD1 3.42Å; M436-L439 HydrophobicContact CE-CD2 3.99Å; M436-L439 HydrophobicContact CE-CG 3.88Å; M436-L439 WeakPolarHBondContact O-CB 3.32Å; M436-L439 PolarHBondContact O-N 2.8Å; M436-L439 VanDerWaalsContact O-N 3.1Å
437	P	89.8	Confident	94.5	Very high	76 Å²	76	34.8 Å²	34.8	49%	0.494	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.7	-177.4	24.8	-35.6	0	0	0	113.9	V411 D435 L464	V411-P437 HydrophobicContact CG1-CG 4.27Å; D435-P437 WeakPolarHBondContact O-CD 3.37Å; P437-L464 WeakPolarHBondContact O-CD1 3.33Å; P437-L464 WeakPolarHBondContact O-CG 3.37Å
438	S	91.1	Very high	94.6	Very high	56 Å²	56	32.9 Å²	32.9	39%	0.392	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-4.6	177.1	51.7	0	0	0	0	114	V411 M436 S440	V411-S438 PolarHBondContact O-OG 2.88Å; M436-S438 PolarHBondContact O-N 2.83Å; S438-S440 PolarHBondContact O-N 3.03Å; S438-S440 VanDerWaalsContact O-N 3.17Å
439	L	95.3	Very high	94.3	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	21%	0.21	C	C	.	.			trans	-69.6	112.7	-176.3	-176.1	70.4	0	0	0	111.1	F418 M433 M436 C443 L459 C462 L465	F418-L439 HydrophobicContact CE2-CD1 4.22Å; F418-L439 HydrophobicContact CZ-CD1 4.04Å; M433-L439 HydrophobicContact CB-CD2 4.18Å; M433-L439 HydrophobicContact SD-CD1 4.19Å; M433-L439 HydrophobicContact SD-CD2 4.4Å; M436-L439 HydrophobicContact CB-CB 3.87Å; M436-L439 HydrophobicContact CE-CB 3.74Å; M436-L439 HydrophobicContact CE-CD1 3.42Å; M436-L439 VanDerWaalsContact CE-CD1 3.42Å; M436-L439 HydrophobicContact CE-CD2 3.99Å; M436-L439 HydrophobicContact CE-CG 3.88Å; M436-L439 WeakPolarHBondContact O-CB 3.32Å; M436-L439 PolarHBondContact O-N 2.8Å; M436-L439 VanDerWaalsContact O-N 3.1Å; L439-C443 HydrophobicContact CD1-CB 3.38Å; L439-C443 HydrophobicContact CG-CB 4.46Å; L439-L459 HydrophobicContact CD2-CD2 3.89Å; L439-C462 HydrophobicContact CD2-CB 4.3Å; L439-L465 HydrophobicContact CD2-CD1 4.1Å; L439-L465 HydrophobicContact CD2-CD2 4.3Å; L439-L465 HydrophobicContact CD2-CG 4.48Å; L439-L465 HydrophobicContact CG-CD2 4.13Å
440	S	95.1	Very high	93.9	Very high	31 Å²	31	39 Å²	39	22%	0.217	22%	0.219	C	C	.	.			trans	-103.4	167.4	179.8	62	0	0	0	0	112.8	S438 T442 C443 V444	S438-S440 PolarHBondContact O-N 3.03Å; S438-S440 VanDerWaalsContact O-N 3.17Å; S440-T442 PolarHBondContact O-N 3.09Å; S440-T442 PolarHBondContact OG-OG1 3.1Å; S440-C443 VanDerWaalsContact O-CB 3.31Å; S440-C443 WeakPolarHBondContact O-CB 3.45Å; S440-C443 PolarHBondContact O-N 3.5Å; S440-C443 PolarHBondContact OG-SG 2.93Å; S440-C443 VanDerWaalsContact OG-SG 3.32Å; S440-V444 PolarHBondContact O-N 3.49Å
441	D	96.2	Very high	93.4	Very high	29 Å²	29	35.8 Å²	35.8	16%	0.155	20%	0.204	C	C	.	.	H	α-helix	trans	-57.7	-31.8	174.6	-58.4	-20.8	0	0	0	113	C443 V444 L445 L465 S466 I468 A469	D441-C443 VanDerWaalsContact C-N 3.33Å; D441-C443 PolarHBondContact O-N 3.03Å; D441-V444 PolarHBondContact O-N 3.15Å; D441-L445 WeakPolarHBondContact O-CB 3.13Å; D441-L445 PolarHBondContact O-N 2.93Å; D441-L465 WeakPolarHBondContact OD1-CA 3.21Å; D441-S466 PolarHBondContact OD1-N 2.87Å; D441-S466 WeakPolarHBondContact OD2-CB 3.43Å; D441-S466 PolarHBondContact OD2-OG 3.29Å; D441-I468 HydrophobicContact CB-CB 4.43Å; D441-I468 HydrophobicContact CB-CG2 4.34Å; D441-A469 HydrophobicContact CB-CB 4.23Å; D441-A469 WeakPolarHBondContact OD1-CB 3.44Å
442	T	95.9	Very high	92.8	Very high	83 Å²	83	39.6 Å²	39.6	51%	0.509	23%	0.229	S	C	.	.	H	α-helix	trans	-66.8	-33.2	176.2	51.6	0	0	0	0	112.6	S440 L445 G446	S440-T442 PolarHBondContact O-N 3.09Å; S440-T442 PolarHBondContact OG-OG1 3.1Å; T442-L445 PolarHBondContact O-N 3.3Å; T442-G446 PolarHBondContact O-N 3.1Å
443	C	95.4	Very high	92.3	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.02	25%	0.248	C	C	.	.	H	α-helix	trans	-65.7	-45.9	173.8	-62.6	0	0	0	0	110.9	F418 L439 S440 D441 L445 G446 L447	F418-C443 WeakPolarHBondContact CB-O 3.08Å; F418-C443 HydrophobicContact CD2-CB 3.58Å; F418-C443 HydrophobicContact CE2-CB 3.72Å; F418-C443 HydrophobicContact CG-CB 4.3Å; L439-C443 HydrophobicContact CD1-CB 3.38Å; L439-C443 HydrophobicContact CG-CB 4.46Å; S440-C443 VanDerWaalsContact O-CB 3.31Å; S440-C443 WeakPolarHBondContact O-CB 3.45Å; S440-C443 PolarHBondContact O-N 3.5Å; S440-C443 PolarHBondContact OG-SG 2.93Å; S440-C443 VanDerWaalsContact OG-SG 3.32Å; D441-C443 VanDerWaalsContact C-N 3.33Å; D441-C443 PolarHBondContact O-N 3.03Å; C443-L445 VanDerWaalsContact C-N 3.34Å; C443-L445 PolarHBondContact O-N 3.12Å; C443-G446 PolarHBondContact O-N 2.8Å; C443-L447 PolarHBondContact O-N 3.4Å
444	V	95.1	Very high	92.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.4	-42	176.8	176.5	0	0	0	0	111	S440 D441 L447 L448 L465 A469 I473	S440-V444 PolarHBondContact O-N 3.49Å; D441-V444 PolarHBondContact O-N 3.15Å; V444-L447 PolarHBondContact O-N 3.42Å; V444-L448 HydrophobicContact CG1-CD1 3.87Å; V444-L448 HydrophobicContact CG1-CG 4.47Å; V444-L448 WeakPolarHBondContact O-CB 3.49Å; V444-L448 WeakPolarHBondContact O-CG 3.24Å; V444-L448 PolarHBondContact O-N 2.91Å; V444-L465 HydrophobicContact CG2-CD2 3.71Å; V444-A469 HydrophobicContact CB-CB 4.27Å; V444-A469 HydrophobicContact CG1-CB 4.26Å; V444-A469 HydrophobicContact CG2-CB 4.24Å; V444-I473 HydrophobicContact CG1-CD1 3.81Å; V444-I473 HydrophobicContact CG1-CG1 3.68Å
445	L	93.9	Very high	92.2	Very high	96 Å²	96	42.7 Å²	42.7	50%	0.503	25%	0.253	S	S	.	.	H	α-helix	trans	-61.7	-44.4	175.1	-176.5	146.6	0	0	0	111.8	D441 T442 C443 L447 L448 A449 I472	D441-L445 WeakPolarHBondContact O-CB 3.13Å; D441-L445 PolarHBondContact O-N 2.93Å; T442-L445 PolarHBondContact O-N 3.3Å; C443-L445 VanDerWaalsContact C-N 3.34Å; C443-L445 PolarHBondContact O-N 3.12Å; L445-L447 VanDerWaalsContact C-N 3.33Å; L445-L447 PolarHBondContact O-N 3.12Å; L445-L448 PolarHBondContact O-N 2.89Å; L445-A449 PolarHBondContact O-N 3.24Å; L445-A449 VanDerWaalsContact O-N 3.13Å; L445-I472 HydrophobicContact CB-CD1 4.22Å; L445-I472 HydrophobicContact CD1-CD1 3.89Å; L445-I472 HydrophobicContact CG-CD1 4.46Å
446	G	93.1	Very high	92.4	Very high	1 Å²	1	39 Å²	39	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-60.5	-40.5	176.4	0	0	0	0	0	112.8	S422 T442 C443	S422-G446 VanDerWaalsContact CB-O 3.23Å; S422-G446 WeakPolarHBondContact CB-O 3.27Å; S422-G446 PolarHBondContact OG-O 2.58Å; T442-G446 PolarHBondContact O-N 3.1Å; C443-G446 PolarHBondContact O-N 2.8Å
447	L	93.4	Very high	92.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-66.4	-43.1	176.5	-178.2	64.7	0	0	0	112.2	F418 I421 S422 L428 V431 M433 C443 V444 L445 A449 C451	F418-L447 HydrophobicContact CB-CB 4.09Å; F418-L447 HydrophobicContact CD1-CB 4.25Å; F418-L447 HydrophobicContact CD1-CD1 4.38Å; I421-L447 HydrophobicContact CB-CD1 4.41Å; I421-L447 HydrophobicContact CG2-CD1 3.82Å; S422-L447 WeakPolarHBondContact CB-O 3.34Å; L428-L447 HydrophobicContact CD2-CD1 4.49Å; V431-L447 HydrophobicContact CB-CD2 4.46Å; V431-L447 HydrophobicContact CG1-CD2 4Å; V431-L447 HydrophobicContact CG2-CD2 4.35Å; M433-L447 HydrophobicContact CE-CD2 3.56Å; M433-L447 HydrophobicContact SD-CD2 4.09Å; C443-L447 PolarHBondContact O-N 3.4Å; V444-L447 PolarHBondContact O-N 3.42Å; L445-L447 VanDerWaalsContact C-N 3.33Å; L445-L447 PolarHBondContact O-N 3.12Å; L447-A449 VanDerWaalsContact C-N 3.3Å; L447-A449 PolarHBondContact O-N 2.69Å; L447-C451 WeakPolarHBondContact O-CB 3.43Å
448	L	91.8	Very high	93	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-85.2	0.6	-174.7	-66.7	178.7	0	0	0	114	V444 L445 R450 L454 I472 I473 V476	V444-L448 HydrophobicContact CG1-CD1 3.87Å; V444-L448 HydrophobicContact CG1-CG 4.47Å; V444-L448 WeakPolarHBondContact O-CB 3.49Å; V444-L448 WeakPolarHBondContact O-CG 3.24Å; V444-L448 PolarHBondContact O-N 2.91Å; L445-L448 PolarHBondContact O-N 2.89Å; L448-R450 PolarHBondContact O-N 3.47Å; L448-L454 HydrophobicContact CD2-CD2 3.97Å; L448-I472 HydrophobicContact CB-CG2 4.43Å; L448-I472 HydrophobicContact CD1-CG2 3.97Å; L448-I473 HydrophobicContact CD1-CB 4.19Å; L448-I473 HydrophobicContact CD1-CG1 3.59Å; L448-V476 HydrophobicContact CB-CG1 4.26Å
449	A	88.4	Confident	93.2	Very high	69 Å²	69	33.6 Å²	33.6	57%	0.57	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-31.7	178	0	0	0	0	0	113.2	L445 L447	L445-A449 PolarHBondContact O-N 3.24Å; L445-A449 VanDerWaalsContact O-N 3.13Å; L447-A449 VanDerWaalsContact C-N 3.3Å; L447-A449 PolarHBondContact O-N 2.69Å
450	R	86.5	Confident	93.2	Very high	161 Å²	161	35.1 Å²	35.1	61%	0.608	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-136.3	-16.2	-177.8	-77.5	-177.7	162.3	176.4	-2.4	115	S422 L448 C452	S422-R450 WeakPolarHBondContact O-CB 3.31Å; L448-R450 PolarHBondContact O-N 3.47Å; R450-C452 PolarHBondContact O-N 2.72Å
451	C	87.6	Confident	93	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.007	21%	0.208	C	C	.	.			trans	-81.9	76.3	177.1	-65.9	0	0	0	0	111.7	C425 L447	C425-C451 PolarHBondContact O-SG 3.38Å; L447-C451 WeakPolarHBondContact O-CB 3.43Å
452	C	83.4	Confident	92.9	Very high	81 Å²	81	33.4 Å²	33.4	55%	0.547	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-6.8	-179.5	-53.9	0	0	0	0	114.1	R450 L454 V476	R450-C452 PolarHBondContact O-N 2.72Å; C452-L454 VanDerWaalsContact C-N 3.31Å; C452-V476 HydrophobicContact CB-CG1 4.49Å
453	S	89.2	Confident	92.7	Very high	71 Å²	71	31.9 Å²	31.9	50%	0.497	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	9	-178.5	-56.8	0	0	0	0	113.5	L428 S455	L428-S453 CarbonylContact O-C 3.42Å; S453-S455 PolarHBondContact O-N 3.18Å
454	L	93.6	Very high	92.6	Very high	5 Å²	5	36 Å²	36	3%	0.026	21%	0.214	C	C	.	.			trans	-67.4	133.1	-173.1	-160.8	71.7	0	0	0	110.5	L428 V431 L448 C452 I457 L479	L428-L454 PolarHBondContact O-N 2.81Å; V431-L454 HydrophobicContact CB-CD1 4.29Å; V431-L454 HydrophobicContact CG2-CD1 3.81Å; L448-L454 HydrophobicContact CD2-CD2 3.97Å; C452-L454 VanDerWaalsContact C-N 3.31Å; L454-I457 HydrophobicContact CD2-CB 3.99Å; L454-I457 HydrophobicContact CD2-CD1 4.02Å; L454-I457 HydrophobicContact CD2-CG1 4.27Å; L454-L479 HydrophobicContact CD2-CD2 4.41Å; L454-L479 HydrophobicContact CG-CD2 4.28Å
455	S	95.3	Very high	92.6	Very high	32 Å²	32	36 Å²	36	22%	0.224	21%	0.214	C	C	.	.			trans	-124.7	-19.7	-177.8	70.2	0	0	0	0	113.1	K429 S453 K480 S481	K429-S455 WeakPolarHBondContact O-CA 3.06Å; K429-S455 PolarHBondContact O-N 2.65Å; K429-S455 PolarHBondContact O-OG 3.17Å; S453-S455 PolarHBondContact O-N 3.18Å; S455-K480 WeakPolarHBondContact O-CA 3.48Å; S455-K480 PolarHBondContact O-N 2.94Å; S455-S481 PolarHBondContact O-N 3.31Å
456	S	97.3	Very high	92.7	Very high	12 Å²	12	32.4 Å²	32.4	8%	0.084	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	129.8	177.9	-175.1	0	0	0	0	109.1	K429 E430 V431 S481	K429-S456 PolarHBondContact O-N 3.45Å; E430-S456 VanDerWaalsContact CA-O 3.31Å; E430-S456 WeakPolarHBondContact CA-O 3.12Å; E430-S456 PolarHBondContact OE1-OG 3.27Å; V431-S456 PolarHBondContact N-O 2.97Å; V431-S456 VanDerWaalsContact N-O 3.14Å; S456-S481 VanDerWaalsContact CA-O 3.31Å; S456-S481 WeakPolarHBondContact CA-O 3.18Å; S456-S481 WeakPolarHBondContact OG-CB 3.3Å
457	I	97	Very high	92.8	Very high	1 Å²	1	34 Å²	34	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	134.7	171.4	-164.1	173.8	0	0	0	109.8	V431 M433 L454 L459 I473 L479 S481 F482 G483	V431-I457 WeakPolarHBondContact O-CA 3.42Å; M433-I457 HydrophobicContact CE-CD1 4.14Å; M433-I457 HydrophobicContact CE-CG1 4.39Å; L454-I457 HydrophobicContact CD2-CB 3.99Å; L454-I457 HydrophobicContact CD2-CD1 4.02Å; L454-I457 HydrophobicContact CD2-CG1 4.27Å; I457-L459 HydrophobicContact CD1-CD1 4.11Å; I457-L459 HydrophobicContact CD1-CD2 4.06Å; I457-L459 HydrophobicContact CD1-CG 4.27Å; I457-L459 HydrophobicContact CG1-CD1 4.37Å; I457-L459 HydrophobicContact CG1-CD2 4Å; I457-L459 HydrophobicContact CG1-CG 4.08Å; I457-I473 HydrophobicContact CD1-CD1 4.04Å; I457-I473 HydrophobicContact CD1-CG1 4.3Å; I457-I473 HydrophobicContact CG2-CG2 4.34Å; I457-L479 HydrophobicContact CG2-CD1 3.64Å; I457-L479 HydrophobicContact CG2-CD2 4.37Å; I457-S481 PolarHBondContact N-O 3.29Å; I457-S481 VanDerWaalsContact N-O 3.13Å; I457-F482 HydrophobicContact CG2-CD2 3.35Å; I457-F482 HydrophobicContact CG2-CE2 3.79Å; I457-F482 HydrophobicContact CG2-CG 4.42Å; I457-F482 WeakPolarHBondContact O-CA 3.46Å; I457-G483 PolarHBondContact O-N 3.48Å
458	S	97.6	Very high	92.9	Very high	21 Å²	21	39 Å²	39	15%	0.147	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122.4	178.3	-174.8	0	0	0	0	109.7	V431 M433 N434	V431-S458 PolarHBondContact O-N 3.11Å; M433-S458 PolarHBondContact N-O 2.95Å; N434-S458 PolarHBondContact ND2-OG 3.46Å; N434-S458 VanDerWaalsContact OD1-C 3.25Å; N434-S458 WeakPolarHBondContact OD1-CB 3.48Å; N434-S458 PolarHBondContact OD1-O 3.46Å; N434-S458 PolarHBondContact OD1-OG 3.15Å
459	L	96.5	Very high	93.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	43.1	-173.6	-53.4	172.8	0	0	0	109.9	M433 N434 L439 I457 C462 L465 I473 F482 G483	M433-L459 HydrophobicContact CB-CD2 4.19Å; M433-L459 HydrophobicContact CE-CD2 3.52Å; N434-L459 PolarHBondContact OD1-N 2.92Å; L439-L459 HydrophobicContact CD2-CD2 3.89Å; I457-L459 HydrophobicContact CD1-CD1 4.11Å; I457-L459 HydrophobicContact CD1-CD2 4.06Å; I457-L459 HydrophobicContact CD1-CG 4.27Å; I457-L459 HydrophobicContact CG1-CD1 4.37Å; I457-L459 HydrophobicContact CG1-CD2 4Å; I457-L459 HydrophobicContact CG1-CG 4.08Å; L459-C462 HydrophobicContact CB-CB 4.46Å; L459-L465 HydrophobicContact CB-CD1 3.95Å; L459-L465 HydrophobicContact CD1-CD1 3.67Å; L459-L465 HydrophobicContact CD2-CD1 4.36Å; L459-L465 HydrophobicContact CG-CD1 4.19Å; L459-I473 HydrophobicContact CD1-CD1 3.83Å; L459-F482 HydrophobicContact CD1-CE2 4.2Å; L459-F482 HydrophobicContact CD1-CZ 4.49Å; L459-G483 PolarHBondContact N-O 3.27Å
460	L	95	Very high	93.4	Very high	33 Å²	33	35.4 Å²	35.4	17%	0.173	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	137.7	-178.1	-48.8	-176.3	0	0	0	109.5	N434 D435 C462 E485 H509	N434-L460 CarbonylContact C-O 3.47Å; N434-L460 WeakPolarHBondContact CA-O 3.38Å; N434-L460 HydrophobicContact CB-CB 4.09Å; N434-L460 WeakPolarHBondContact OD1-CG 3.41Å; N434-L460 PolarHBondContact OD1-N 2.67Å; D435-L460 PolarHBondContact N-O 3.44Å; L460-C462 VanDerWaalsContact C-N 3.35Å; L460-C462 PolarHBondContact O-N 3.26Å; L460-E485 HydrophobicContact CB-CB 3.92Å; L460-E485 HydrophobicContact CD2-CB 3.88Å; L460-E485 HydrophobicContact CG-CB 4.44Å; L460-H509 VanDerWaalsContact CD2-CD2 3.46Å; L460-H509 WeakPolarHBondContact CD2-CD2 3.32Å
461	G	90.8	Very high	93.8	Very high	24 Å²	24	33.9 Å²	33.9	25%	0.247	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	31.6	179.3	0	0	0	0	0	113.9	P463 E485	G461-P463 VanDerWaalsContact O-CD 3.3Å; G461-P463 WeakPolarHBondContact O-CD 3.47Å; G461-E485 PolarHBondContact N-O 2.67Å
462	C	93.9	Very high	94.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.208	C	C	.	.			trans	-114.2	82.3	178.2	-67.9	0	0	0	0	111.3	M433 L439 L459 L460 L464 L465 N487	M433-C462 PolarHBondContact O-SG 3.06Å; L439-C462 HydrophobicContact CD2-CB 4.3Å; L459-C462 HydrophobicContact CB-CB 4.46Å; L460-C462 VanDerWaalsContact C-N 3.35Å; L460-C462 PolarHBondContact O-N 3.26Å; C462-L464 VanDerWaalsContact C-N 3.35Å; C462-L464 PolarHBondContact O-N 3.41Å; C462-L465 HydrophobicContact CB-CD1 3.77Å; C462-L465 HydrophobicContact CB-CG 4.14Å; C462-N487 PolarHBondContact O-ND2 2.92Å
463	P	91.1	Very high	94.6	Very high	52 Å²	52	31.8 Å²	31.8	34%	0.338	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-15.6	-169.7	30.5	-37.4	0	0	0	114.9	G461 Q489	G461-P463 VanDerWaalsContact O-CD 3.3Å; G461-P463 WeakPolarHBondContact O-CD 3.47Å; P463-Q489 PolarHBondContact O-NE2 3.04Å
464	L	93.4	Very high	94.8	Very high	90 Å²	90	28.6 Å²	28.6	47%	0.471	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-9.6	-175.8	-68.6	-175.1	0	0	0	114.5	P437 C462	P437-L464 WeakPolarHBondContact O-CD1 3.33Å; P437-L464 WeakPolarHBondContact O-CG 3.37Å; C462-L464 VanDerWaalsContact C-N 3.35Å; C462-L464 PolarHBondContact O-N 3.41Å
465	L	95.9	Very high	94.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.195	C	C	.	.			trans	-72.4	133.6	179.6	-64.7	178.1	0	0	0	111	L439 D441 V444 L459 C462 A469 N487 Q489	L439-L465 HydrophobicContact CD2-CD1 4.1Å; L439-L465 HydrophobicContact CD2-CD2 4.3Å; L439-L465 HydrophobicContact CD2-CG 4.48Å; L439-L465 HydrophobicContact CG-CD2 4.13Å; D441-L465 WeakPolarHBondContact OD1-CA 3.21Å; V444-L465 HydrophobicContact CG2-CD2 3.71Å; L459-L465 HydrophobicContact CB-CD1 3.95Å; L459-L465 HydrophobicContact CD1-CD1 3.67Å; L459-L465 HydrophobicContact CD2-CD1 4.36Å; L459-L465 HydrophobicContact CG-CD1 4.19Å; C462-L465 HydrophobicContact CB-CD1 3.77Å; C462-L465 HydrophobicContact CB-CG 4.14Å; L465-A469 HydrophobicContact CB-CB 4.44Å; L465-A469 HydrophobicContact CD2-CB 4Å; L465-N487 PolarHBondContact O-ND2 2.95Å; L465-N487 PolarHBondContact O-OD1 3.22Å; L465-Q489 WeakPolarHBondContact O-CB 3.5Å
466	S	96.1	Very high	94.2	Very high	19 Å²	19	37.5 Å²	37.5	13%	0.133	20%	0.199	C	C	.	.			trans	-109.8	-177.5	178.7	85.8	0	0	0	0	112.3	D441 I468 A469	D441-S466 PolarHBondContact OD1-N 2.87Å; D441-S466 WeakPolarHBondContact OD2-CB 3.43Å; D441-S466 PolarHBondContact OD2-OG 3.29Å; S466-I468 PolarHBondContact O-N 3.1Å; S466-I468 VanDerWaalsContact O-N 3.1Å; S466-I468 WeakPolarHBondContact OG-CB 3.24Å; S466-I468 PolarHBondContact OG-N 2.81Å; S466-I468 VanDerWaalsContact OG-N 3.15Å; S466-A469 PolarHBondContact O-N 2.97Å; S466-A469 VanDerWaalsContact O-N 3.14Å
467	D	96.1	Very high	93.6	Very high	34 Å²	34	37.1 Å²	37.1	18%	0.182	20%	0.196	C	C	.	.	H	α-helix	trans	-56.7	-23.6	172.9	-66.2	-39.3	0	0	0	113.9	K471 T491 S494	D467-K471 WeakPolarHBondContact O-CB 3.22Å; D467-K471 PolarHBondContact O-N 3.31Å; D467-T491 PolarHBondContact OD1-N 3.28Å; D467-T491 PolarHBondContact OD1-OG1 2.61Å; D467-T491 PolarHBondContact OD2-OG1 2.56Å; D467-S494 VanDerWaalsContact CA-OG 3.27Å; D467-S494 WeakPolarHBondContact CA-OG 3.5Å; D467-S494 WeakPolarHBondContact OD1-CB 3.22Å; D467-S494 PolarHBondContact OD1-N 2.89Å; D467-S494 PolarHBondContact OD1-OG 3.05Å
468	I	95.4	Very high	93.3	Very high	107 Å²	107	41.1 Å²	41.1	55%	0.549	22%	0.217	S	C	.	.	H	α-helix	trans	-63.1	-48.1	177	-60.5	172.1	0	0	0	110.1	D441 S466 K471 I472	D441-I468 HydrophobicContact CB-CB 4.43Å; D441-I468 HydrophobicContact CB-CG2 4.34Å; S466-I468 PolarHBondContact O-N 3.1Å; S466-I468 VanDerWaalsContact O-N 3.1Å; S466-I468 WeakPolarHBondContact OG-CB 3.24Å; S466-I468 PolarHBondContact OG-N 2.81Å; S466-I468 VanDerWaalsContact OG-N 3.15Å; I468-K471 PolarHBondContact O-N 3.34Å; I468-I472 HydrophobicContact CG2-CD1 3.79Å; I468-I472 WeakPolarHBondContact O-CD1 3.49Å; I468-I472 VanDerWaalsContact O-CG1 3.24Å; I468-I472 WeakPolarHBondContact O-CG1 3.42Å; I468-I472 PolarHBondContact O-N 3.19Å
469	A	95.3	Very high	93.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.9	-49.7	179.5	0	0	0	0	0	111.9	D441 V444 L465 S466 K471 I472 I473	D441-A469 HydrophobicContact CB-CB 4.23Å; D441-A469 WeakPolarHBondContact OD1-CB 3.44Å; V444-A469 HydrophobicContact CB-CB 4.27Å; V444-A469 HydrophobicContact CG1-CB 4.26Å; V444-A469 HydrophobicContact CG2-CB 4.24Å; L465-A469 HydrophobicContact CB-CB 4.44Å; L465-A469 HydrophobicContact CD2-CB 4Å; S466-A469 PolarHBondContact O-N 2.97Å; S466-A469 VanDerWaalsContact O-N 3.14Å; A469-K471 VanDerWaalsContact C-N 3.34Å; A469-K471 PolarHBondContact O-N 3.28Å; A469-I472 PolarHBondContact O-N 3.48Å; A469-I473 VanDerWaalsContact O-CG1 3.29Å; A469-I473 WeakPolarHBondContact O-CG1 3.43Å; A469-I473 PolarHBondContact O-N 3.42Å
470	L	95.1	Very high	93.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.2	-35.3	-177.2	-89.3	67.2	0	0	0	112.1	I472 I473 A474 F482 I484 V490 S494 W495	L470-I472 VanDerWaalsContact C-N 3.34Å; L470-I472 PolarHBondContact O-N 3.24Å; L470-I473 HydrophobicContact CD1-CD1 4.46Å; L470-I473 PolarHBondContact O-N 2.99Å; L470-A474 VanDerWaalsContact O-CB 3.28Å; L470-A474 WeakPolarHBondContact O-CB 3.31Å; L470-A474 PolarHBondContact O-N 3.28Å; L470-F482 HydrophobicContact CD1-CZ 4.11Å; L470-F482 HydrophobicContact CD2-CE1 4.13Å; L470-F482 HydrophobicContact CD2-CZ 3.74Å; L470-F482 HydrophobicContact CG-CE2 4.3Å; L470-F482 HydrophobicContact CG-CZ 3.77Å; L470-I484 HydrophobicContact CD1-CD1 4.35Å; L470-V490 HydrophobicContact CD1-CG2 3.88Å; L470-V490 HydrophobicContact CD2-CG1 3.71Å; L470-V490 HydrophobicContact CD2-CG2 3.94Å; L470-V490 HydrophobicContact CG-CG2 4.5Å; L470-S494 WeakPolarHBondContact CB-OG 3.37Å; L470-W495 HydrophobicContact CD2-CH2 4.3Å; L470-W495 HydrophobicContact CD2-CZ3 4.29Å
471	K	94.6	Very high	93.3	Very high	129 Å²	129	45.4 Å²	45.4	56%	0.561	24%	0.235	S	C	*	.	H	α-helix	trans	-64.7	-38.1	173.8	-172.2	173.3	-175.8	172.3	0	112.3	D467 I468 A469 K475 A497	D467-K471 WeakPolarHBondContact O-CB 3.22Å; D467-K471 PolarHBondContact O-N 3.31Å; I468-K471 PolarHBondContact O-N 3.34Å; A469-K471 VanDerWaalsContact C-N 3.34Å; A469-K471 PolarHBondContact O-N 3.28Å; K471-K475 WeakPolarHBondContact O-CB 3.44Å; K471-K475 PolarHBondContact O-N 2.92Å; K471-K475 VanDerWaalsContact O-N 3.16Å; K471-A497 HydrophobicContact CB-CB 4.47Å; K471-A497 HydrophobicContact CG-CB 4.35Å
472	I	93.7	Very high	93.7	Very high	37 Å²	37	44.3 Å²	44.3	19%	0.19	22%	0.224	C	C	.	.	H	α-helix	trans	-66.4	-48.1	174.8	-66.1	160.6	0	0	0	110	L445 L448 I468 A469 L470 A474 K475 V476	L445-I472 HydrophobicContact CB-CD1 4.22Å; L445-I472 HydrophobicContact CD1-CD1 3.89Å; L445-I472 HydrophobicContact CG-CD1 4.46Å; L448-I472 HydrophobicContact CB-CG2 4.43Å; L448-I472 HydrophobicContact CD1-CG2 3.97Å; I468-I472 HydrophobicContact CG2-CD1 3.79Å; I468-I472 WeakPolarHBondContact O-CD1 3.49Å; I468-I472 VanDerWaalsContact O-CG1 3.24Å; I468-I472 WeakPolarHBondContact O-CG1 3.42Å; I468-I472 PolarHBondContact O-N 3.19Å; A469-I472 PolarHBondContact O-N 3.48Å; L470-I472 VanDerWaalsContact C-N 3.34Å; L470-I472 PolarHBondContact O-N 3.24Å; I472-A474 VanDerWaalsContact C-N 3.32Å; I472-A474 PolarHBondContact O-N 2.92Å; I472-K475 PolarHBondContact O-N 3.5Å; I472-K475 VanDerWaalsContact O-N 3.11Å; I472-V476 HydrophobicContact CG2-CG2 4.29Å; I472-V476 WeakPolarHBondContact O-CG2 3.09Å; I472-V476 PolarHBondContact O-N 3.03Å
473	I	94.3	Very high	93.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-52.8	-51.8	176.5	-70.8	161.6	0	0	0	110.5	V444 L448 I457 L459 A469 L470 K475 V476 S477 L479 F482 L498	V444-I473 HydrophobicContact CG1-CD1 3.81Å; V444-I473 HydrophobicContact CG1-CG1 3.68Å; L448-I473 HydrophobicContact CD1-CB 4.19Å; L448-I473 HydrophobicContact CD1-CG1 3.59Å; I457-I473 HydrophobicContact CD1-CD1 4.04Å; I457-I473 HydrophobicContact CD1-CG1 4.3Å; I457-I473 HydrophobicContact CG2-CG2 4.34Å; L459-I473 HydrophobicContact CD1-CD1 3.83Å; A469-I473 VanDerWaalsContact O-CG1 3.29Å; A469-I473 WeakPolarHBondContact O-CG1 3.43Å; A469-I473 PolarHBondContact O-N 3.42Å; L470-I473 HydrophobicContact CD1-CD1 4.46Å; L470-I473 PolarHBondContact O-N 2.99Å; I473-K475 VanDerWaalsContact C-N 3.25Å; I473-K475 PolarHBondContact O-N 2.88Å; I473-V476 PolarHBondContact O-N 3.37Å; I473-S477 PolarHBondContact O-N 3.42Å; I473-S477 VanDerWaalsContact O-N 3.09Å; I473-L479 HydrophobicContact CG2-CD1 3.39Å; I473-L479 HydrophobicContact CG2-CG 4.32Å; I473-F482 HydrophobicContact CD1-CE2 4.29Å; I473-L498 HydrophobicContact CG2-CD1 4.47Å
474	A	93.1	Very high	94.1	Very high	5 Å²	5	42.1 Å²	42.1	4%	0.041	21%	0.21	C	C	.	.	H	α-helix	trans	-61.7	-31.4	-179	0	0	0	0	0	113.4	L470 I472 A497 L498 L501	L470-A474 VanDerWaalsContact O-CB 3.28Å; L470-A474 WeakPolarHBondContact O-CB 3.31Å; L470-A474 PolarHBondContact O-N 3.28Å; I472-A474 VanDerWaalsContact C-N 3.32Å; I472-A474 PolarHBondContact O-N 2.92Å; A474-A497 HydrophobicContact CB-CB 4.32Å; A474-L498 HydrophobicContact CB-CB 4.45Å; A474-L498 HydrophobicContact CB-CD1 4.31Å; A474-L501 HydrophobicContact CB-CB 4.25Å; A474-L501 HydrophobicContact CB-CD1 3.97Å; A474-L501 WeakPolarHBondContact O-CB 3.42Å
475	K	90.8	Very high	94.2	Very high	175 Å²	175	41.4 Å²	41.4	76%	0.761	20%	0.204	S	C	*	.	H	α-helix	trans	-80.1	-34.5	-179	-174.6	177.4	178.1	-176.2	0	113.1	K471 I472 I473	K471-K475 WeakPolarHBondContact O-CB 3.44Å; K471-K475 PolarHBondContact O-N 2.92Å; K471-K475 VanDerWaalsContact O-N 3.16Å; I472-K475 PolarHBondContact O-N 3.5Å; I472-K475 VanDerWaalsContact O-N 3.11Å; I473-K475 VanDerWaalsContact C-N 3.25Å; I473-K475 PolarHBondContact O-N 2.88Å
476	V	85.5	Confident	93.9	Very high	49 Å²	49	42.3 Å²	42.3	30%	0.297	21%	0.214	S	C	.	.	H	α-helix	trans	-92.2	-23.6	-172.5	178.4	0	0	0	0	112	L448 C452 I472 I473	L448-V476 HydrophobicContact CB-CG1 4.26Å; C452-V476 HydrophobicContact CB-CG1 4.49Å; I472-V476 HydrophobicContact CG2-CG2 4.29Å; I472-V476 WeakPolarHBondContact O-CG2 3.09Å; I472-V476 PolarHBondContact O-N 3.03Å; I473-V476 PolarHBondContact O-N 3.37Å
477	S	84.9	Confident	93.8	Very high	4 Å²	4	41.4 Å²	41.4	3%	0.028	21%	0.208	C	C	.	.			trans	-138.3	131.3	-169.4	-60.5	0	0	0	0	113	I473 L479 S502	I473-S477 PolarHBondContact O-N 3.42Å; I473-S477 VanDerWaalsContact O-N 3.09Å; S477-L479 PolarHBondContact O-N 3.05Å; S477-S502 PolarHBondContact O-OG 3.33Å
478	D	90.9	Very high	93.5	Very high	84 Å²	84	45.3 Å²	45.3	45%	0.449	23%	0.229	S	C	.	.			trans	-86	86.5	168.5	-173.8	27.8	0	0	0	109.5	S502 T503 A504	D478-S502 WeakPolarHBondContact OD1-CA 3.42Å; D478-T503 PolarHBondContact OD1-N 2.71Å; D478-A504 WeakPolarHBondContact OD1-CB 3.47Å; D478-A504 PolarHBondContact OD1-N 3.23Å; D478-A504 WeakPolarHBondContact OD2-CB 3.19Å
479	L	94.9	Very high	93.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.223	C	C	.	.			trans	-72.5	141.4	-173.7	-66.2	179.5	0	0	0	112.6	L454 I457 I473 S477 F482 L498 A504 L505	L454-L479 HydrophobicContact CD2-CD2 4.41Å; L454-L479 HydrophobicContact CG-CD2 4.28Å; I457-L479 HydrophobicContact CG2-CD1 3.64Å; I457-L479 HydrophobicContact CG2-CD2 4.37Å; I473-L479 HydrophobicContact CG2-CD1 3.39Å; I473-L479 HydrophobicContact CG2-CG 4.32Å; S477-L479 PolarHBondContact O-N 3.05Å; L479-F482 HydrophobicContact CD1-CB 4.3Å; L479-F482 HydrophobicContact CD1-CD2 3.86Å; L479-L498 HydrophobicContact CD1-CD1 4.15Å; L479-A504 CarbonylContact O-C 3.48Å; L479-L505 HydrophobicContact CB-CD1 3.99Å; L479-L505 WeakPolarHBondContact O-CA 3.48Å; L479-L505 PolarHBondContact O-N 3.4Å; L479-L505 VanDerWaalsContact O-N 3.07Å
480	K	96.5	Very high	93.4	Very high	122 Å²	122	44.5 Å²	44.5	53%	0.53	22%	0.223	S	C	.	.	S	Bend	trans	-97.5	-27.2	168.8	-65	-178.5	-178.5	175.3	0	112.5	S455 A504 S506 K507	S455-K480 WeakPolarHBondContact O-CA 3.48Å; S455-K480 PolarHBondContact O-N 2.94Å; K480-A504 HydrophobicContact CG-CB 4.23Å; K480-S506 PolarHBondContact O-N 3.11Å; K480-S506 PolarHBondContact O-OG 3.34Å; K480-K507 PolarHBondContact O-N 3.27Å
481	S	97.8	Very high	93.4	Very high	23 Å²	23	46.6 Å²	46.6	16%	0.161	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	130.7	179.8	179.8	0	0	0	0	110.5	S455 S456 I457 K507	S455-S481 PolarHBondContact O-N 3.31Å; S456-S481 VanDerWaalsContact CA-O 3.31Å; S456-S481 WeakPolarHBondContact CA-O 3.18Å; S456-S481 WeakPolarHBondContact OG-CB 3.3Å; I457-S481 PolarHBondContact N-O 3.29Å; I457-S481 VanDerWaalsContact N-O 3.13Å; S481-K507 WeakPolarHBondContact CA-O 3.23Å
482	F	97.8	Very high	93.3	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	134.4	175	-179.5	-94.7	0	0	0	109.9	I457 L459 L470 I473 L479 I484 W495 L498 L505 K507 L508 H509	I457-F482 HydrophobicContact CG2-CD2 3.35Å; I457-F482 HydrophobicContact CG2-CE2 3.79Å; I457-F482 HydrophobicContact CG2-CG 4.42Å; I457-F482 WeakPolarHBondContact O-CA 3.46Å; L459-F482 HydrophobicContact CD1-CE2 4.2Å; L459-F482 HydrophobicContact CD1-CZ 4.49Å; L470-F482 HydrophobicContact CD1-CZ 4.11Å; L470-F482 HydrophobicContact CD2-CE1 4.13Å; L470-F482 HydrophobicContact CD2-CZ 3.74Å; L470-F482 HydrophobicContact CG-CE2 4.3Å; L470-F482 HydrophobicContact CG-CZ 3.77Å; I473-F482 HydrophobicContact CD1-CE2 4.29Å; L479-F482 HydrophobicContact CD1-CB 4.3Å; L479-F482 HydrophobicContact CD1-CD2 3.86Å; F482-I484 HydrophobicContact CE1-CB 3.92Å; F482-I484 HydrophobicContact CE1-CG2 3.71Å; F482-I484 HydrophobicContact CZ-CB 4.14Å; F482-I484 HydrophobicContact CZ-CG2 4.33Å; F482-W495 HydrophobicContact CD1-CZ3 4.31Å; F482-W495 HydrophobicContact CE1-CH2 4.07Å; F482-W495 AromaticContact CE1-CZ3 3.94Å; F482-W495 HydrophobicContact CE1-CZ3 3.94Å; F482-L498 HydrophobicContact CB-CD2 4.29Å; F482-L498 HydrophobicContact CD1-CD2 3.56Å; F482-L498 HydrophobicContact CD2-CD1 4.34Å; F482-L498 HydrophobicContact CD2-CD2 4.19Å; F482-L498 HydrophobicContact CE1-CD2 3.88Å; F482-L498 HydrophobicContact CE2-CD2 4.5Å; F482-L498 HydrophobicContact CG-CD2 3.74Å; F482-L498 HydrophobicContact CZ-CD2 4.36Å; F482-L505 HydrophobicContact CB-CD1 3.96Å; F482-K507 PolarHBondContact N-O 2.86Å; F482-L508 HydrophobicContact CB-CD1 4.27Å; F482-L508 HydrophobicContact CD1-CD1 3.76Å; F482-L508 HydrophobicContact CG-CD1 4.49Å; F482-H509 PolarHBondContact O-N 2.86Å
483	G	97.3	Very high	93.3	Very high	6 Å²	6	46 Å²	46	6%	0.062	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	130.8	177.9	0	0	0	0	0	112.1	I457 L459 H509	I457-G483 PolarHBondContact O-N 3.48Å; L459-G483 PolarHBondContact N-O 3.27Å; G483-H509 CarbonylContact C-O 3.21Å; G483-H509 VanDerWaalsContact CA-O 3.26Å; G483-H509 WeakPolarHBondContact CA-O 3.29Å
484	I	96.6	Very high	93.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	143.7	168.1	-168.2	169	0	0	0	109.6	L470 F482 N487 V490 W495 H509 V510 V511	L470-I484 HydrophobicContact CD1-CD1 4.35Å; F482-I484 HydrophobicContact CE1-CB 3.92Å; F482-I484 HydrophobicContact CE1-CG2 3.71Å; F482-I484 HydrophobicContact CZ-CB 4.14Å; F482-I484 HydrophobicContact CZ-CG2 4.33Å; I484-N487 HydrophobicContact CD1-CB 3.61Å; I484-N487 HydrophobicContact CG1-CB 3.87Å; I484-V490 HydrophobicContact CD1-CG2 3.88Å; I484-W495 HydrophobicContact CG2-CH2 3.72Å; I484-W495 HydrophobicContact CG2-CZ2 4.37Å; I484-H509 PolarHBondContact N-O 2.96Å; I484-V510 HydrophobicContact CG2-CG1 4.21Å; I484-V510 HydrophobicContact CG2-CG2 4.29Å; I484-V510 WeakPolarHBondContact O-CA 3.43Å; I484-V511 PolarHBondContact O-N 3.47Å
485	E	94.8	Very high	93.5	Very high	74 Å²	74	45.7 Å²	45.7	35%	0.346	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	143.1	177.5	-179.9	177.7	168.3	0	0	111.7	L460 G461 N487 V511	L460-E485 HydrophobicContact CB-CB 3.92Å; L460-E485 HydrophobicContact CD2-CB 3.88Å; L460-E485 HydrophobicContact CG-CB 4.44Å; G461-E485 PolarHBondContact N-O 2.67Å; E485-N487 VanDerWaalsContact C-N 3.33Å; E485-N487 PolarHBondContact O-N 2.95Å; E485-V511 CarbonylContact C-O 3.6Å; E485-V511 WeakPolarHBondContact CA-O 3.34Å; E485-V511 HydrophobicContact CB-CB 4.34Å; E485-V511 HydrophobicContact CG-CB 3.97Å; E485-V511 HydrophobicContact CG-CG1 4.08Å
486	G	90.8	Very high	93.7	Very high	20 Å²	20	42 Å²	42	21%	0.206	22%	0.221	C	C	.	.	S	Bend	trans	67.5	32.3	171	0	0	0	0	0	113.3	V511 D512	G486-V511 PolarHBondContact N-O 2.8Å; G486-D512 VanDerWaalsContact CA-O 3.28Å; G486-D512 WeakPolarHBondContact CA-O 3.27Å; G486-D512 PolarHBondContact N-O 3.02Å
487	N	93.6	Very high	94.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.			trans	-108.4	120.5	-175.7	-171.3	-70.7	0	0	0	112.3	C462 L465 I484 E485 Q489 V490 D512 P514	C462-N487 PolarHBondContact O-ND2 2.92Å; L465-N487 PolarHBondContact O-ND2 2.95Å; L465-N487 PolarHBondContact O-OD1 3.22Å; I484-N487 HydrophobicContact CD1-CB 3.61Å; I484-N487 HydrophobicContact CG1-CB 3.87Å; E485-N487 VanDerWaalsContact C-N 3.33Å; E485-N487 PolarHBondContact O-N 2.95Å; N487-Q489 PolarHBondContact OD1-N 3.35Å; N487-V490 WeakPolarHBondContact OD1-CB 3.28Å; N487-V490 VanDerWaalsContact OD1-CG2 3.32Å; N487-V490 WeakPolarHBondContact OD1-CG2 3.43Å; N487-V490 PolarHBondContact OD1-N 3.46Å; N487-D512 PolarHBondContact N-O 2.94Å; N487-P514 WeakPolarHBondContact O-CD 3.23Å
488	N	90.5	Very high	94.7	Very high	116 Å²	116	40.3 Å²	40.3	62%	0.62	21%	0.213	S	C	*	.	S	Bend	trans	-99.1	-4.1	-176.7	-65.5	-26.6	0	0	0	114.3	P514	N488-P514 HydrophobicContact CB-CG 4.41Å; N488-P514 VanDerWaalsContact OD1-CD 3.22Å; N488-P514 WeakPolarHBondContact OD1-CD 3.43Å; N488-P514 WeakPolarHBondContact OD1-CG 3.31Å
489	Q	94.3	Very high	94.8	Very high	90 Å²	90	36.4 Å²	36.4	42%	0.421	19%	0.192	S	C	.	.	S	Bend	trans	-106.4	-18.7	-173.9	-66.2	-171.6	62.3	0	0	113.4	P463 L465 N487	P463-Q489 PolarHBondContact O-NE2 3.04Å; L465-Q489 WeakPolarHBondContact O-CB 3.5Å; N487-Q489 PolarHBondContact OD1-N 3.35Å
490	V	94.7	Very high	94.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.216	C	C	.	.			trans	-77	126.9	174.1	164	0	0	0	0	109.9	L470 I484 N487 W495 G515	L470-V490 HydrophobicContact CD1-CG2 3.88Å; L470-V490 HydrophobicContact CD2-CG1 3.71Å; L470-V490 HydrophobicContact CD2-CG2 3.94Å; L470-V490 HydrophobicContact CG-CG2 4.5Å; I484-V490 HydrophobicContact CD1-CG2 3.88Å; N487-V490 WeakPolarHBondContact OD1-CB 3.28Å; N487-V490 VanDerWaalsContact OD1-CG2 3.32Å; N487-V490 WeakPolarHBondContact OD1-CG2 3.43Å; N487-V490 PolarHBondContact OD1-N 3.46Å; V490-W495 HydrophobicContact CG1-CH2 4.22Å; V490-W495 HydrophobicContact CG1-CZ2 3.53Å; V490-G515 WeakPolarHBondContact O-CA 3.05Å
491	T	94.4	Very high	94.4	Very high	43 Å²	43	37.6 Å²	37.6	26%	0.264	22%	0.215	S	C	.	.			trans	-119.8	-174.7	-175.9	74.2	0	0	0	0	112.2	D467 V493 S494 W495	D467-T491 PolarHBondContact OD1-N 3.28Å; D467-T491 PolarHBondContact OD1-OG1 2.61Å; D467-T491 PolarHBondContact OD2-OG1 2.56Å; T491-V493 PolarHBondContact O-N 2.92Å; T491-V493 VanDerWaalsContact O-N 3.13Å; T491-V493 PolarHBondContact OG1-N 2.82Å; T491-S494 WeakPolarHBondContact O-CB 3.3Å; T491-S494 PolarHBondContact O-N 3.24Å; T491-S494 VanDerWaalsContact O-N 3.12Å; T491-W495 VanDerWaalsContact O-CD1 3.23Å
492	E	92.1	Very high	94.1	Very high	87 Å²	87	36.5 Å²	36.5	41%	0.407	21%	0.207	S	C	.	.	H	α-helix	trans	-54.1	-26.9	172.8	60.3	-88.5	-166.4	0	0	114.3	S494 W495 E496	E492-S494 VanDerWaalsContact C-N 3.3Å; E492-S494 PolarHBondContact O-N 2.93Å; E492-W495 PolarHBondContact O-N 3Å; E492-W495 VanDerWaalsContact O-N 3.14Å; E492-E496 WeakPolarHBondContact O-CB 3.49Å; E492-E496 PolarHBondContact O-N 2.98Å
493	V	94.7	Very high	93.6	Very high	66 Å²	66	40.3 Å²	40.3	40%	0.4	23%	0.231	S	C	.	.	H	α-helix	trans	-62.5	-39.8	178	-179.9	0	0	0	0	111.1	T491 A497	T491-V493 PolarHBondContact O-N 2.92Å; T491-V493 VanDerWaalsContact O-N 3.13Å; T491-V493 PolarHBondContact OG1-N 2.82Å; V493-A497 PolarHBondContact O-N 3.07Å; V493-A497 VanDerWaalsContact O-N 3.11Å
494	S	95.5	Very high	93.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.3	-43.7	173.2	-78.3	0	0	0	0	112.5	D467 L470 T491 E492 A497 L498	D467-S494 VanDerWaalsContact CA-OG 3.27Å; D467-S494 WeakPolarHBondContact CA-OG 3.5Å; D467-S494 WeakPolarHBondContact OD1-CB 3.22Å; D467-S494 PolarHBondContact OD1-N 2.89Å; D467-S494 PolarHBondContact OD1-OG 3.05Å; L470-S494 WeakPolarHBondContact CB-OG 3.37Å; T491-S494 WeakPolarHBondContact O-CB 3.3Å; T491-S494 PolarHBondContact O-N 3.24Å; T491-S494 VanDerWaalsContact O-N 3.12Å; E492-S494 VanDerWaalsContact C-N 3.3Å; E492-S494 PolarHBondContact O-N 2.93Å; S494-A497 PolarHBondContact O-N 3.45Å; S494-L498 VanDerWaalsContact O-CB 3.24Å; S494-L498 WeakPolarHBondContact O-CB 3.28Å; S494-L498 PolarHBondContact O-N 3.18Å
495	W	94.8	Very high	93.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-70.7	-35.2	-176.6	-56.6	125.6	0	0	0	112	L470 F482 I484 V490 T491 E492 L498 C499 L508 V510 M516	L470-W495 HydrophobicContact CD2-CH2 4.3Å; L470-W495 HydrophobicContact CD2-CZ3 4.29Å; F482-W495 HydrophobicContact CD1-CZ3 4.31Å; F482-W495 HydrophobicContact CE1-CH2 4.07Å; F482-W495 AromaticContact CE1-CZ3 3.94Å; F482-W495 HydrophobicContact CE1-CZ3 3.94Å; I484-W495 HydrophobicContact CG2-CH2 3.72Å; I484-W495 HydrophobicContact CG2-CZ2 4.37Å; V490-W495 HydrophobicContact CG1-CH2 4.22Å; V490-W495 HydrophobicContact CG1-CZ2 3.53Å; T491-W495 VanDerWaalsContact O-CD1 3.23Å; E492-W495 PolarHBondContact O-N 3Å; E492-W495 VanDerWaalsContact O-N 3.14Å; W495-L498 HydrophobicContact CE3-CD2 4.07Å; W495-L498 HydrophobicContact CZ3-CD2 3.82Å; W495-C499 WeakPolarHBondContact O-CB 3.44Å; W495-C499 PolarHBondContact O-N 3.14Å; W495-C499 PolarHBondContact O-SG 3.44Å; W495-L508 HydrophobicContact CZ3-CD1 4.23Å; W495-V510 HydrophobicContact CH2-CB 4.16Å; W495-V510 HydrophobicContact CH2-CG1 3.65Å; W495-V510 HydrophobicContact CH2-CG2 3.36Å; W495-V510 HydrophobicContact CZ2-CB 4.46Å; W495-V510 HydrophobicContact CZ2-CG1 3.52Å; W495-V510 HydrophobicContact CZ2-CG2 4.06Å; W495-V510 HydrophobicContact CZ3-CG2 3.73Å; W495-M516 HydrophobicContact CD2-CE 3.5Å; W495-M516 HydrophobicContact CE3-CE 3.95Å; W495-M516 HydrophobicContact CG-CE 3.92Å; W495-M516 HydrophobicContact CG-SD 4.49Å; W495-M516 HydrophobicContact CH2-CE 4.15Å; W495-M516 HydrophobicContact CZ2-CE 3.73Å; W495-M516 HydrophobicContact CZ3-CE 4.25Å
496	E	95.3	Very high	93.5	Very high	97 Å²	97	39.1 Å²	39.1	45%	0.453	23%	0.231	S	C	.	.	H	α-helix	trans	-59.1	-50.9	169.1	178.6	169.2	-126.6	0	0	111.4	E492 G500 Y523	E492-E496 WeakPolarHBondContact O-CB 3.49Å; E492-E496 PolarHBondContact O-N 2.98Å; E496-G500 WeakPolarHBondContact O-CA 3.44Å; E496-G500 PolarHBondContact O-N 3.29Å; E496-Y523 HydrophobicContact CB-CD1 3.9Å; E496-Y523 HydrophobicContact CB-CD2 4.18Å; E496-Y523 HydrophobicContact CB-CE1 3.62Å; E496-Y523 HydrophobicContact CB-CE2 3.95Å; E496-Y523 HydrophobicContact CB-CG 4.15Å; E496-Y523 HydrophobicContact CG-CD1 4.02Å; E496-Y523 HydrophobicContact CG-CE1 3.47Å; E496-Y523 VanDerWaalsContact CG-CE1 3.47Å; E496-Y523 WeakPolarHBondContact OE1-CE1 3.38Å; E496-Y523 PolarHBondContact OE1-OH 3.28Å
497	A	95.4	Very high	93.9	Very high	17 Å²	17	42.4 Å²	42.4	14%	0.14	24%	0.24	C	C	.	.	H	α-helix	trans	-64.8	-51	-179.7	0	0	0	0	0	112	K471 A474 V493 S494 L501	K471-A497 HydrophobicContact CB-CB 4.47Å; K471-A497 HydrophobicContact CG-CB 4.35Å; A474-A497 HydrophobicContact CB-CB 4.32Å; V493-A497 PolarHBondContact O-N 3.07Å; V493-A497 VanDerWaalsContact O-N 3.11Å; S494-A497 PolarHBondContact O-N 3.45Å; A497-L501 VanDerWaalsContact O-CB 3.32Å; A497-L501 WeakPolarHBondContact O-CB 3.32Å; A497-L501 WeakPolarHBondContact O-CG 3.42Å; A497-L501 PolarHBondContact O-N 2.79Å
498	L	95.3	Very high	94.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.2	-51.4	-176.9	-175.4	70.4	0	0	0	111.6	I473 A474 L479 F482 S494 W495 G500 S502 L508	I473-L498 HydrophobicContact CG2-CD1 4.47Å; A474-L498 HydrophobicContact CB-CB 4.45Å; A474-L498 HydrophobicContact CB-CD1 4.31Å; L479-L498 HydrophobicContact CD1-CD1 4.15Å; F482-L498 HydrophobicContact CB-CD2 4.29Å; F482-L498 HydrophobicContact CD1-CD2 3.56Å; F482-L498 HydrophobicContact CD2-CD1 4.34Å; F482-L498 HydrophobicContact CD2-CD2 4.19Å; F482-L498 HydrophobicContact CE1-CD2 3.88Å; F482-L498 HydrophobicContact CE2-CD2 4.5Å; F482-L498 HydrophobicContact CG-CD2 3.74Å; F482-L498 HydrophobicContact CZ-CD2 4.36Å; S494-L498 VanDerWaalsContact O-CB 3.24Å; S494-L498 WeakPolarHBondContact O-CB 3.28Å; S494-L498 PolarHBondContact O-N 3.18Å; W495-L498 HydrophobicContact CE3-CD2 4.07Å; W495-L498 HydrophobicContact CZ3-CD2 3.82Å; L498-G500 VanDerWaalsContact C-N 3.33Å; L498-G500 PolarHBondContact O-N 3Å; L498-S502 VanDerWaalsContact O-CB 3.27Å; L498-S502 WeakPolarHBondContact O-CB 3.24Å; L498-S502 PolarHBondContact O-N 2.84Å; L498-L508 HydrophobicContact CD2-CD1 4.48Å
499	C	94.4	Very high	94.4	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.02	22%	0.217	C	C	.	.	H	α-helix	trans	-73.9	-27.7	-178.1	-57	0	0	0	0	112.3	W495 Y523 L527	W495-C499 WeakPolarHBondContact O-CB 3.44Å; W495-C499 PolarHBondContact O-N 3.14Å; W495-C499 PolarHBondContact O-SG 3.44Å; C499-Y523 WeakPolarHBondContact CB-O 3.44Å; C499-L527 HydrophobicContact CB-CD2 3.96Å; C499-L527 HydrophobicContact CB-CG 4.15Å
500	G	91.4	Very high	94.5	Very high	48 Å²	48	34.1 Å²	34.1	50%	0.495	20%	0.197	S	C	.	.	H	α-helix	trans	-74.3	-35	177.6	0	0	0	0	0	113.8	E496 L498	E496-G500 WeakPolarHBondContact O-CA 3.44Å; E496-G500 PolarHBondContact O-N 3.29Å; L498-G500 VanDerWaalsContact C-N 3.33Å; L498-G500 PolarHBondContact O-N 3Å
501	L	91.3	Very high	94.6	Very high	98 Å²	98	34.7 Å²	34.7	51%	0.513	20%	0.201	S	C	.	.	H	α-helix	trans	-99	-38.8	-176.2	-61.3	174.2	0	0	0	113.2	A474 A497 T503	A474-L501 HydrophobicContact CB-CB 4.25Å; A474-L501 HydrophobicContact CB-CD1 3.97Å; A474-L501 WeakPolarHBondContact O-CB 3.42Å; A497-L501 VanDerWaalsContact O-CB 3.32Å; A497-L501 WeakPolarHBondContact O-CB 3.32Å; A497-L501 WeakPolarHBondContact O-CG 3.42Å; A497-L501 PolarHBondContact O-N 2.79Å; L501-T503 PolarHBondContact O-N 3.46Å; L501-T503 VanDerWaalsContact O-N 3.13Å
502	S	90.3	Very high	94.6	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.206	C	C	.	.			trans	-88.6	74.4	-178.8	-55.1	0	0	0	0	111.7	S477 D478 L498 A504 L505	S477-S502 PolarHBondContact O-OG 3.33Å; D478-S502 WeakPolarHBondContact OD1-CA 3.42Å; L498-S502 VanDerWaalsContact O-CB 3.27Å; L498-S502 WeakPolarHBondContact O-CB 3.24Å; L498-S502 PolarHBondContact O-N 2.84Å; S502-A504 PolarHBondContact O-N 2.99Å; S502-L505 WeakPolarHBondContact O-CB 3.47Å; S502-L505 PolarHBondContact O-N 3.12Å
503	T	88.3	Confident	94.7	Very high	82 Å²	82	31.9 Å²	31.9	50%	0.503	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-18	-174.9	66	0	0	0	0	114.1	D478 L501 L505	D478-T503 PolarHBondContact OD1-N 2.71Å; L501-T503 PolarHBondContact O-N 3.46Å; L501-T503 VanDerWaalsContact O-N 3.13Å; T503-L505 PolarHBondContact O-N 3.02Å
504	A	93.1	Very high	94.4	Very high	24 Å²	24	30 Å²	30	20%	0.198	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-0.8	176.1	0	0	0	0	0	114	D478 L479 K480 S502 S506	D478-A504 WeakPolarHBondContact OD1-CB 3.47Å; D478-A504 PolarHBondContact OD1-N 3.23Å; D478-A504 WeakPolarHBondContact OD2-CB 3.19Å; L479-A504 CarbonylContact O-C 3.48Å; K480-A504 HydrophobicContact CG-CB 4.23Å; S502-A504 PolarHBondContact O-N 2.99Å; A504-S506 PolarHBondContact O-N 3.36Å
505	L	96.3	Very high	94.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.181	C	C	.	.			trans	-61.3	121.5	-173.7	-159.9	71.1	0	0	0	111.3	L479 F482 S502 T503 L508 L527 H529 L530	L479-L505 HydrophobicContact CB-CD1 3.99Å; L479-L505 WeakPolarHBondContact O-CA 3.48Å; L479-L505 PolarHBondContact O-N 3.4Å; L479-L505 VanDerWaalsContact O-N 3.07Å; F482-L505 HydrophobicContact CB-CD1 3.96Å; S502-L505 WeakPolarHBondContact O-CB 3.47Å; S502-L505 PolarHBondContact O-N 3.12Å; T503-L505 PolarHBondContact O-N 3.02Å; L505-L508 HydrophobicContact CD2-CB 4.17Å; L505-L508 HydrophobicContact CD2-CD1 4.15Å; L505-L508 HydrophobicContact CD2-CD2 4.41Å; L505-L508 HydrophobicContact CD2-CG 4.47Å; L505-L527 HydrophobicContact CB-CD1 4.34Å; L505-L527 HydrophobicContact CB-CD2 3.99Å; L505-L527 HydrophobicContact CD2-CD1 3.84Å; L505-L527 HydrophobicContact CD2-CD2 4.44Å; L505-L527 HydrophobicContact CG-CD1 4.49Å; L505-H529 CarbonylContact O-C 3.48Å; L505-L530 PolarHBondContact O-N 3.25Å
506	S	97	Very high	94.3	Very high	31 Å²	31	30.5 Å²	30.5	22%	0.217	18%	0.181	C	C	.	.			trans	-115.5	-31.6	-177.5	68.2	0	0	0	0	112.3	K480 A504 H529 N531 Y532	K480-S506 PolarHBondContact O-N 3.11Å; K480-S506 PolarHBondContact O-OG 3.34Å; A504-S506 PolarHBondContact O-N 3.36Å; S506-H529 WeakPolarHBondContact CA-O 3.41Å; S506-H529 WeakPolarHBondContact CB-O 3.32Å; S506-N531 PolarHBondContact O-N 3.2Å; S506-N531 PolarHBondContact O-OD1 2.9Å; S506-Y532 PolarHBondContact O-N 3.29Å; S506-Y532 VanDerWaalsContact O-N 3.11Å
507	K	98.3	Very high	94.3	Very high	89 Å²	89	27.1 Å²	27.1	39%	0.387	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	120.9	177.9	-178.5	174.8	-177.6	-169.2	0	109.6	K480 S481 F482 Y532	K480-K507 PolarHBondContact O-N 3.27Å; S481-K507 WeakPolarHBondContact CA-O 3.23Å; F482-K507 PolarHBondContact N-O 2.86Å; K507-Y532 HydrophobicContact CD-CD1 4.31Å; K507-Y532 HydrophobicContact CD-CG 4.4Å; K507-Y532 HydrophobicContact CG-CD1 3.57Å; K507-Y532 HydrophobicContact CG-CE1 4.29Å; K507-Y532 HydrophobicContact CG-CG 3.86Å
508	L	97.9	Very high	94.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	119.9	174.6	-179.6	56.9	0	0	0	108.9	F482 W495 L498 L505 V510 V524 L527 L530 Y532 L533 D534	F482-L508 HydrophobicContact CB-CD1 4.27Å; F482-L508 HydrophobicContact CD1-CD1 3.76Å; F482-L508 HydrophobicContact CG-CD1 4.49Å; W495-L508 HydrophobicContact CZ3-CD1 4.23Å; L498-L508 HydrophobicContact CD2-CD1 4.48Å; L505-L508 HydrophobicContact CD2-CB 4.17Å; L505-L508 HydrophobicContact CD2-CD1 4.15Å; L505-L508 HydrophobicContact CD2-CD2 4.41Å; L505-L508 HydrophobicContact CD2-CG 4.47Å; L508-V510 HydrophobicContact CD1-CG2 3.52Å; L508-V510 HydrophobicContact CD2-CG2 4.38Å; L508-V510 HydrophobicContact CG-CG2 3.78Å; L508-V524 HydrophobicContact CD2-CG1 4.04Å; L508-V524 HydrophobicContact CD2-CG2 3.74Å; L508-L527 HydrophobicContact CD2-CD1 4.42Å; L508-L530 HydrophobicContact CB-CD1 3.8Å; L508-Y532 PolarHBondContact N-O 2.68Å; L508-L533 HydrophobicContact CB-CD1 3.99Å; L508-L533 HydrophobicContact CD2-CD1 3.93Å; L508-L533 HydrophobicContact CG-CD1 3.98Å; L508-L533 WeakPolarHBondContact O-CA 3.49Å; L508-D534 PolarHBondContact O-N 3.42Å
509	H	97.9	Very high	94.4	Very high	32 Å²	32	31.7 Å²	31.7	15%	0.148	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	114.7	176.3	179.6	91.1	0	0	0	108.8	L460 F482 G483 I484 V511 Y532 D534	L460-H509 VanDerWaalsContact CD2-CD2 3.46Å; L460-H509 WeakPolarHBondContact CD2-CD2 3.32Å; F482-H509 PolarHBondContact O-N 2.86Å; G483-H509 CarbonylContact C-O 3.21Å; G483-H509 VanDerWaalsContact CA-O 3.26Å; G483-H509 WeakPolarHBondContact CA-O 3.29Å; I484-H509 PolarHBondContact N-O 2.96Å; H509-V511 WeakPolarHBondContact CE1-CG2 3.5Å; H509-V511 WeakPolarHBondContact NE2-CG2 3.45Å; H509-Y532 HydrophobicContact CB-CE1 4.3Å; H509-D534 HydrophobicContact CB-CB 4.45Å; H509-D534 IonicContact CE1-OD2 3.74Å; H509-D534 PolarHBondContact CE1-OD2 3.44Å; H509-D534 WeakPolarHBondContact ND1-CB 3.36Å; H509-D534 IonicContact ND1-OD2 3.13Å; H509-D534 PolarHBondContact ND1-OD2 3.02Å
510	V	96.7	Very high	94.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	89.9	-174.9	-177.8	0	0	0	0	107.1	I484 W495 L508 C513 M516 D534 I535 C538	I484-V510 HydrophobicContact CG2-CG1 4.21Å; I484-V510 HydrophobicContact CG2-CG2 4.29Å; I484-V510 WeakPolarHBondContact O-CA 3.43Å; W495-V510 HydrophobicContact CH2-CB 4.16Å; W495-V510 HydrophobicContact CH2-CG1 3.65Å; W495-V510 HydrophobicContact CH2-CG2 3.36Å; W495-V510 HydrophobicContact CZ2-CB 4.46Å; W495-V510 HydrophobicContact CZ2-CG1 3.52Å; W495-V510 HydrophobicContact CZ2-CG2 4.06Å; W495-V510 HydrophobicContact CZ3-CG2 3.73Å; L508-V510 HydrophobicContact CD1-CG2 3.52Å; L508-V510 HydrophobicContact CD2-CG2 4.38Å; L508-V510 HydrophobicContact CG-CG2 3.78Å; V510-C513 HydrophobicContact CG1-CB 3.62Å; V510-M516 HydrophobicContact CB-CE 4.14Å; V510-M516 HydrophobicContact CG1-CB 4.12Å; V510-M516 HydrophobicContact CG1-CE 3.79Å; V510-M516 HydrophobicContact CG1-CG 4.41Å; V510-M516 HydrophobicContact CG2-CE 3.99Å; V510-D534 CarbonylContact C-O 3.43Å; V510-D534 PolarHBondContact N-O 3.22Å; V510-I535 CarbonylContact O-C 3.55Å; V510-I535 VanDerWaalsContact O-CA 3.22Å; V510-I535 WeakPolarHBondContact O-CA 3.38Å; V510-C538 PolarHBondContact O-SG 3.11Å
511	V	95.8	Very high	94.7	Very high	12 Å²	12	29.3 Å²	29.3	7%	0.073	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	138.5	-174.5	175.6	0	0	0	0	110.3	I484 E485 G486 H509 C513 S536 L537	I484-V511 PolarHBondContact O-N 3.47Å; E485-V511 CarbonylContact C-O 3.6Å; E485-V511 WeakPolarHBondContact CA-O 3.34Å; E485-V511 HydrophobicContact CB-CB 4.34Å; E485-V511 HydrophobicContact CG-CB 3.97Å; E485-V511 HydrophobicContact CG-CG1 4.08Å; G486-V511 PolarHBondContact N-O 2.8Å; H509-V511 WeakPolarHBondContact CE1-CG2 3.5Å; H509-V511 WeakPolarHBondContact NE2-CG2 3.45Å; V511-C513 PolarHBondContact O-N 3.23Å; V511-C513 PolarHBondContact O-SG 3.23Å; V511-S536 CarbonylContact C-O 3.42Å; V511-S536 VanDerWaalsContact CA-O 3.29Å; V511-S536 WeakPolarHBondContact CA-O 3.46Å; V511-L537 HydrophobicContact CG1-CB 4.48Å; V511-L537 HydrophobicContact CG1-CD1 4.04Å
512	D	94.4	Very high	94.9	Very high	70 Å²	70	29 Å²	29	37%	0.374	16%	0.157	S	C	.	.	S	Bend	trans	52.8	43.3	178	-165.5	29.5	0	0	0	113	G486 N487 S536 L537	G486-D512 VanDerWaalsContact CA-O 3.28Å; G486-D512 WeakPolarHBondContact CA-O 3.27Å; G486-D512 PolarHBondContact N-O 3.02Å; N487-D512 PolarHBondContact N-O 2.94Å; D512-S536 PolarHBondContact N-O 3.43Å; D512-L537 HydrophobicContact CB-CB 3.84Å; D512-L537 HydrophobicContact CB-CD1 4.1Å
513	C	94.3	Very high	95.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.			trans	-112.6	96.5	175.8	-71	0	0	0	0	109.3	V510 V511 G515 M516	V510-C513 HydrophobicContact CG1-CB 3.62Å; V511-C513 PolarHBondContact O-N 3.23Å; V511-C513 PolarHBondContact O-SG 3.23Å; C513-G515 PolarHBondContact O-N 3.33Å; C513-G515 VanDerWaalsContact O-N 3.11Å; C513-M516 HydrophobicContact CB-CB 4.47Å; C513-M516 WeakPolarHBondContact O-CB 3.41Å; C513-M516 PolarHBondContact O-N 3.16Å
514	P	89.4	Confident	95.5	Very high	28 Å²	28	28 Å²	28	18%	0.182	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-16.8	-177.6	24.9	-34.8	0	0	0	114	N487 N488 M516 R540	N487-P514 WeakPolarHBondContact O-CD 3.23Å; N488-P514 HydrophobicContact CB-CG 4.41Å; N488-P514 VanDerWaalsContact OD1-CD 3.22Å; N488-P514 WeakPolarHBondContact OD1-CD 3.43Å; N488-P514 WeakPolarHBondContact OD1-CG 3.31Å; P514-M516 VanDerWaalsContact C-N 3.27Å; P514-R540 WeakPolarHBondContact O-CD 3.33Å
515	G	91.3	Very high	95.6	Very high	9 Å²	9	27.8 Å²	27.8	9%	0.093	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-7.3	171	0	0	0	0	0	114.5	V490 C513 T517	V490-G515 WeakPolarHBondContact O-CA 3.05Å; C513-G515 PolarHBondContact O-N 3.33Å; C513-G515 VanDerWaalsContact O-N 3.11Å; G515-T517 PolarHBondContact O-N 3.17Å
516	M	95.3	Very high	95.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.			trans	-77.6	104.2	166.1	-177.7	58.7	76	0	0	109.3	W495 V510 C513 P514 M521 V524 I535 C538 V541	W495-M516 HydrophobicContact CD2-CE 3.5Å; W495-M516 HydrophobicContact CE3-CE 3.95Å; W495-M516 HydrophobicContact CG-CE 3.92Å; W495-M516 HydrophobicContact CG-SD 4.49Å; W495-M516 HydrophobicContact CH2-CE 4.15Å; W495-M516 HydrophobicContact CZ2-CE 3.73Å; W495-M516 HydrophobicContact CZ3-CE 4.25Å; V510-M516 HydrophobicContact CB-CE 4.14Å; V510-M516 HydrophobicContact CG1-CB 4.12Å; V510-M516 HydrophobicContact CG1-CE 3.79Å; V510-M516 HydrophobicContact CG1-CG 4.41Å; V510-M516 HydrophobicContact CG2-CE 3.99Å; C513-M516 HydrophobicContact CB-CB 4.47Å; C513-M516 WeakPolarHBondContact O-CB 3.41Å; C513-M516 PolarHBondContact O-N 3.16Å; P514-M516 VanDerWaalsContact C-N 3.27Å; M516-M521 HydrophobicContact SD-CG 4.28Å; M516-M521 HydrophobicContact SD-SD 4.16Å; M516-V524 HydrophobicContact CE-CG2 4.25Å; M516-I535 HydrophobicContact CG-CG2 4.44Å; M516-C538 HydrophobicContact CB-CB 4.15Å; M516-C538 HydrophobicContact CG-CB 4.24Å; M516-V541 HydrophobicContact CG-CG2 3.93Å; M516-V541 WeakPolarHBondContact O-CG2 3.28Å
517	T	95.8	Very high	95.4	Very high	27 Å²	27	29.1 Å²	29.1	17%	0.166	15%	0.15	C	C	.	.			trans	-115.5	178.7	-179.2	66	0	0	0	0	111.3	G515 E519 G520 M521 R540	G515-T517 PolarHBondContact O-N 3.17Å; T517-E519 PolarHBondContact O-N 2.56Å; T517-E519 PolarHBondContact OG1-N 3.36Å; T517-G520 WeakPolarHBondContact O-CA 3.49Å; T517-G520 PolarHBondContact O-N 3.21Å; T517-G520 PolarHBondContact OG1-N 2.61Å; T517-M521 PolarHBondContact O-N 3.19Å; T517-R540 HydrophobicContact CG2-CB 4.02Å
518	D	96.9	Very high	95.2	Very high	33 Å²	33	32.9 Å²	32.9	18%	0.176	16%	0.162	C	C	.	.	H	α-helix	trans	-58	-32.8	173.1	-68.2	-30.6	0	0	0	113.2	M521 K522 S542 V544 G545 Y548	D518-M521 WeakPolarHBondContact O-CB 3.32Å; D518-M521 PolarHBondContact O-N 3.43Å; D518-K522 PolarHBondContact O-N 3.05Å; D518-K522 VanDerWaalsContact O-N 3.12Å; D518-S542 PolarHBondContact OD1-N 3.39Å; D518-S542 PolarHBondContact OD1-OG 2.92Å; D518-S542 WeakPolarHBondContact OD2-CB 3.13Å; D518-S542 PolarHBondContact OD2-OG 2.75Å; D518-V544 HydrophobicContact CB-CB 4.41Å; D518-V544 HydrophobicContact CB-CG1 4.39Å; D518-G545 WeakPolarHBondContact OD1-CA 3.43Å; D518-G545 PolarHBondContact OD1-N 3.36Å; D518-Y548 WeakPolarHBondContact O-CD2 3.22Å
519	E	95.4	Very high	95	Very high	80 Å²	80	37.6 Å²	37.6	37%	0.374	18%	0.184	S	C	.	.	H	α-helix	trans	-70.7	-38.4	172.2	-73.3	-58.8	127.9	0	0	111.5	T517 M521 K522 Y523	T517-E519 PolarHBondContact O-N 2.56Å; T517-E519 PolarHBondContact OG1-N 3.36Å; E519-M521 VanDerWaalsContact C-N 3.28Å; E519-M521 PolarHBondContact O-N 3.18Å; E519-K522 VanDerWaalsContact O-CB 3.25Å; E519-K522 WeakPolarHBondContact O-CB 3.18Å; E519-K522 PolarHBondContact O-N 3.48Å; E519-K522 VanDerWaalsContact O-N 3.14Å; E519-K522 WeakPolarHBondContact OE2-CD 3.35Å; E519-K522 IonicContact OE2-NZ 3.02Å; E519-K522 PolarHBondContact OE2-NZ 3.03Å; E519-K522 VanDerWaalsContact OE2-NZ 3.13Å; E519-Y523 WeakPolarHBondContact O-CD2 3.37Å; E519-Y523 PolarHBondContact O-N 3.16Å
520	G	95.6	Very high	95	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-55.5	-45.1	169.3	0	0	0	0	0	112	T517 K522 Y523 V524	T517-G520 WeakPolarHBondContact O-CA 3.49Å; T517-G520 PolarHBondContact O-N 3.21Å; T517-G520 PolarHBondContact OG1-N 2.61Å; G520-K522 VanDerWaalsContact C-N 3.28Å; G520-K522 PolarHBondContact O-N 3.33Å; G520-Y523 WeakPolarHBondContact O-CB 3.37Å; G520-Y523 PolarHBondContact O-N 3.34Å; G520-V524 PolarHBondContact O-N 3.32Å; G520-V524 VanDerWaalsContact O-N 3.08Å
521	M	96.8	Very high	95	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-29.3	177.6	-72.5	-62.8	-63.7	0	0	113.9	M516 T517 D518 E519 Y523 V524 S525 L533 I535 V541 L549	M516-M521 HydrophobicContact SD-CG 4.28Å; M516-M521 HydrophobicContact SD-SD 4.16Å; T517-M521 PolarHBondContact O-N 3.19Å; D518-M521 WeakPolarHBondContact O-CB 3.32Å; D518-M521 PolarHBondContact O-N 3.43Å; E519-M521 VanDerWaalsContact C-N 3.28Å; E519-M521 PolarHBondContact O-N 3.18Å; M521-Y523 VanDerWaalsContact C-N 3.34Å; M521-V524 PolarHBondContact O-N 3.48Å; M521-S525 PolarHBondContact O-N 3.2Å; M521-L533 HydrophobicContact CE-CD2 3.99Å; M521-I535 HydrophobicContact CE-CD1 3.83Å; M521-I535 HydrophobicContact SD-CD1 3.73Å; M521-I535 HydrophobicContact SD-CG2 4.1Å; M521-V541 HydrophobicContact CG-CG1 3.93Å; M521-V541 HydrophobicContact CG-CG2 4.02Å; M521-L549 HydrophobicContact CE-CB 3.88Å; M521-L549 HydrophobicContact CE-CD1 4.45Å; M521-L549 HydrophobicContact CE-CD2 4.13Å; M521-L549 HydrophobicContact CE-CG 4.38Å
522	K	95.9	Very high	95.1	Very high	92 Å²	92	40.9 Å²	40.9	40%	0.4	20%	0.199	S	C	.	.	H	α-helix	trans	-63.1	-40.8	171.8	-178.2	-172.4	174.8	-172.1	0	111.2	D518 E519 G520 S525 Y548	D518-K522 PolarHBondContact O-N 3.05Å; D518-K522 VanDerWaalsContact O-N 3.12Å; E519-K522 VanDerWaalsContact O-CB 3.25Å; E519-K522 WeakPolarHBondContact O-CB 3.18Å; E519-K522 PolarHBondContact O-N 3.48Å; E519-K522 VanDerWaalsContact O-N 3.14Å; E519-K522 WeakPolarHBondContact OE2-CD 3.35Å; E519-K522 IonicContact OE2-NZ 3.02Å; E519-K522 PolarHBondContact OE2-NZ 3.03Å; E519-K522 VanDerWaalsContact OE2-NZ 3.13Å; G520-K522 VanDerWaalsContact C-N 3.28Å; G520-K522 PolarHBondContact O-N 3.33Å; K522-S525 WeakPolarHBondContact O-CB 3.36Å; K522-S525 PolarHBondContact O-N 3.12Å; K522-S525 PolarHBondContact O-OG 3.03Å; K522-Y548 HydrophobicContact CB-CD2 3.9Å; K522-Y548 HydrophobicContact CB-CE2 4.12Å; K522-Y548 HydrophobicContact CB-CG 4.14Å
523	Y	95.7	Very high	95.3	Very high	59 Å²	59	37.5 Å²	37.5	23%	0.231	18%	0.181	C	C	.	.	H	α-helix	trans	-68	-42	173.7	-62.5	-72.6	0	0	0	111.9	E496 C499 E519 G520 M521 S525 S526	E496-Y523 HydrophobicContact CB-CD1 3.9Å; E496-Y523 HydrophobicContact CB-CD2 4.18Å; E496-Y523 HydrophobicContact CB-CE1 3.62Å; E496-Y523 HydrophobicContact CB-CE2 3.95Å; E496-Y523 HydrophobicContact CB-CG 4.15Å; E496-Y523 HydrophobicContact CG-CD1 4.02Å; E496-Y523 HydrophobicContact CG-CE1 3.47Å; E496-Y523 VanDerWaalsContact CG-CE1 3.47Å; E496-Y523 WeakPolarHBondContact OE1-CE1 3.38Å; E496-Y523 PolarHBondContact OE1-OH 3.28Å; C499-Y523 WeakPolarHBondContact CB-O 3.44Å; E519-Y523 WeakPolarHBondContact O-CD2 3.37Å; E519-Y523 PolarHBondContact O-N 3.16Å; G520-Y523 WeakPolarHBondContact O-CB 3.37Å; G520-Y523 PolarHBondContact O-N 3.34Å; M521-Y523 VanDerWaalsContact C-N 3.34Å; Y523-S525 PolarHBondContact O-N 3.41Å; Y523-S526 VanDerWaalsContact O-CB 3.3Å; Y523-S526 WeakPolarHBondContact O-CB 3.44Å; Y523-S526 PolarHBondContact O-N 3.2Å; Y523-S526 PolarHBondContact O-OG 3.32Å
524	V	96.1	Very high	95.5	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-56.7	-36.3	173.5	176.9	0	0	0	0	111.6	L508 M516 G520 M521 S526 L527 L530 L533	L508-V524 HydrophobicContact CD2-CG1 4.04Å; L508-V524 HydrophobicContact CD2-CG2 3.74Å; M516-V524 HydrophobicContact CE-CG2 4.25Å; G520-V524 PolarHBondContact O-N 3.32Å; G520-V524 VanDerWaalsContact O-N 3.08Å; M521-V524 PolarHBondContact O-N 3.48Å; V524-S526 PolarHBondContact O-N 3.48Å; V524-L527 HydrophobicContact CG1-CD1 4.28Å; V524-L527 WeakPolarHBondContact O-CB 3.33Å; V524-L527 WeakPolarHBondContact O-CG 3.46Å; V524-L527 PolarHBondContact O-N 3.12Å; V524-L527 VanDerWaalsContact O-N 3.16Å; V524-L530 HydrophobicContact CG1-CD2 3.79Å; V524-L533 HydrophobicContact CG1-CD1 4.16Å; V524-L533 HydrophobicContact CG1-CD2 4.14Å
525	S	94.6	Very high	95.9	Very high	21 Å²	21	36.9 Å²	36.9	15%	0.147	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.6	178.8	84	0	0	0	0	114.4	M521 K522 Y523 L527 Y548 G552 S553	M521-S525 PolarHBondContact O-N 3.2Å; K522-S525 WeakPolarHBondContact O-CB 3.36Å; K522-S525 PolarHBondContact O-N 3.12Å; K522-S525 PolarHBondContact O-OG 3.03Å; Y523-S525 PolarHBondContact O-N 3.41Å; S525-L527 VanDerWaalsContact C-N 3.33Å; S525-Y548 VanDerWaalsContact CB-O 3.22Å; S525-Y548 WeakPolarHBondContact CB-O 3.26Å; S525-G552 CarbonylContact O-C 3.52Å; S525-G552 VanDerWaalsContact O-CA 3.32Å; S525-G552 WeakPolarHBondContact O-CA 3.28Å; S525-S553 PolarHBondContact O-N 3.06Å
526	S	94.6	Very high	96.1	Very high	55 Å²	55	37 Å²	37	39%	0.385	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-21.4	177.9	76.4	0	0	0	0	113.2	Y523 V524 R528	Y523-S526 VanDerWaalsContact O-CB 3.3Å; Y523-S526 WeakPolarHBondContact O-CB 3.44Å; Y523-S526 PolarHBondContact O-N 3.2Å; Y523-S526 PolarHBondContact O-OG 3.32Å; V524-S526 PolarHBondContact O-N 3.48Å; S526-R528 PolarHBondContact O-N 3.43Å
527	L	95.4	Very high	96	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.016	19%	0.189	C	C	.	.			trans	-60.6	136.7	178.7	-64.1	175.1	0	0	0	110.2	C499 L505 L508 V524 S525 L530 S553 S554	C499-L527 HydrophobicContact CB-CD2 3.96Å; C499-L527 HydrophobicContact CB-CG 4.15Å; L505-L527 HydrophobicContact CB-CD1 4.34Å; L505-L527 HydrophobicContact CB-CD2 3.99Å; L505-L527 HydrophobicContact CD2-CD1 3.84Å; L505-L527 HydrophobicContact CD2-CD2 4.44Å; L505-L527 HydrophobicContact CG-CD1 4.49Å; L508-L527 HydrophobicContact CD2-CD1 4.42Å; V524-L527 HydrophobicContact CG1-CD1 4.28Å; V524-L527 WeakPolarHBondContact O-CB 3.33Å; V524-L527 WeakPolarHBondContact O-CG 3.46Å; V524-L527 PolarHBondContact O-N 3.12Å; V524-L527 VanDerWaalsContact O-N 3.16Å; S525-L527 VanDerWaalsContact C-N 3.33Å; L527-L530 HydrophobicContact CB-CB 4.22Å; L527-L530 HydrophobicContact CD1-CD1 4.06Å; L527-L530 HydrophobicContact CD1-CD2 4.36Å; L527-S553 WeakPolarHBondContact O-CB 3.47Å; L527-S554 VanDerWaalsContact C-OG 3.27Å; L527-S554 WeakPolarHBondContact O-CB 3.5Å; L527-S554 PolarHBondContact O-N 3.31Å; L527-S554 PolarHBondContact O-OG 2.93Å
528	R	92.9	Very high	95.9	Very high	168 Å²	168	38.3 Å²	38.3	63%	0.634	18%	0.181	S	C	*	.	S	Bend	trans	-100.1	-16.2	-173.7	-62.3	-178	-177.1	179.5	2	113.9	S526 K557	S526-R528 PolarHBondContact O-N 3.43Å; R528-K557 VanDerWaalsContact O-CD 3.28Å; R528-K557 WeakPolarHBondContact O-CD 3.47Å; R528-K557 WeakPolarHBondContact O-CE 3.43Å; R528-K557 PolarHBondContact O-NZ 3.27Å
529	H	95.3	Very high	95.5	Very high	99 Å²	99	40 Å²	40	46%	0.458	20%	0.195	S	C	.	.	S	Bend	trans	-122.2	9.4	-171.3	-66.5	-82.7	0	0	0	113.6	L505 S506 N531 S554	L505-H529 CarbonylContact O-C 3.48Å; S506-H529 WeakPolarHBondContact CA-O 3.41Å; S506-H529 WeakPolarHBondContact CB-O 3.32Å; H529-N531 PolarHBondContact O-N 2.96Å; H529-S554 PolarHBondContact N-OG 3.03Å
530	L	96.9	Very high	95.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.204	C	C	.	.			trans	-64.9	118.6	-176.2	-165.7	70.8	0	0	0	110.6	L505 L508 V524 L527 Y532 L533 L549 S554 L558	L505-L530 PolarHBondContact O-N 3.25Å; L508-L530 HydrophobicContact CB-CD1 3.8Å; V524-L530 HydrophobicContact CG1-CD2 3.79Å; L527-L530 HydrophobicContact CB-CB 4.22Å; L527-L530 HydrophobicContact CD1-CD1 4.06Å; L527-L530 HydrophobicContact CD1-CD2 4.36Å; L530-Y532 WeakPolarHBondContact CD1-O 3.38Å; L530-L533 HydrophobicContact CD2-CB 4.11Å; L530-L533 HydrophobicContact CD2-CD1 4.41Å; L530-L533 HydrophobicContact CD2-CD2 4.32Å; L530-L549 HydrophobicContact CD2-CD1 4.38Å; L530-S554 WeakPolarHBondContact CB-OG 3.31Å; L530-S554 PolarHBondContact N-OG 3.03Å; L530-L558 HydrophobicContact CD2-CD1 4.12Å; L530-L558 HydrophobicContact CG-CD1 3.94Å; L530-L558 PolarHBondContact O-N 3.05Å
531	N	97.3	Very high	95.4	Very high	61 Å²	61	43.3 Å²	43.3	33%	0.326	20%	0.204	S	C	.	.			trans	-114.6	-23	176.5	67.6	22.3	0	0	0	112.3	S506 H529 Q559 H560	S506-N531 PolarHBondContact O-N 3.2Å; S506-N531 PolarHBondContact O-OD1 2.9Å; H529-N531 PolarHBondContact O-N 2.96Å; N531-Q559 WeakPolarHBondContact O-CA 3.12Å; N531-Q559 PolarHBondContact O-N 2.84Å; N531-H560 PolarHBondContact O-N 2.61Å
532	Y	98.3	Very high	95.4	Very high	52 Å²	52	44.3 Å²	44.3	20%	0.204	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	122.6	179.9	179.4	-72.9	0	0	0	109	S506 K507 L508 H509 L530 D534 H560	S506-Y532 PolarHBondContact O-N 3.29Å; S506-Y532 VanDerWaalsContact O-N 3.11Å; K507-Y532 HydrophobicContact CD-CD1 4.31Å; K507-Y532 HydrophobicContact CD-CG 4.4Å; K507-Y532 HydrophobicContact CG-CD1 3.57Å; K507-Y532 HydrophobicContact CG-CE1 4.29Å; K507-Y532 HydrophobicContact CG-CG 3.86Å; L508-Y532 PolarHBondContact N-O 2.68Å; H509-Y532 HydrophobicContact CB-CE1 4.3Å; L530-Y532 WeakPolarHBondContact CD1-O 3.38Å; Y532-D534 HydrophobicContact CE1-CB 3.65Å; Y532-D534 PolarHBondContact OH-OD2 2.77Å; Y532-H560 HydrophobicContact CD2-CB 3.6Å; Y532-H560 AromaticContact CD2-CD2 3.43Å; Y532-H560 VanDerWaalsContact CD2-CD2 3.43Å; Y532-H560 WeakPolarHBondContact CD2-CD2 3.3Å; Y532-H560 AromaticContact CD2-CG 3.49Å; Y532-H560 VanDerWaalsContact CD2-CG 3.49Å; Y532-H560 HydrophobicContact CE2-CB 4.21Å; Y532-H560 AromaticContact CE2-CD2 3.18Å; Y532-H560 WeakPolarHBondContact CE2-CD2 3.48Å; Y532-H560 AromaticContact CE2-CE1 3.98Å; Y532-H560 AromaticContact CE2-CG 3.56Å; Y532-H560 AromaticContact CE2-NE2 3.5Å; Y532-H560 HydrophobicContact CG-CB 4.21Å; Y532-H560 AromaticContact CZ-CD2 3.64Å; Y532-H560 AromaticContact CZ-NE2 3.8Å
533	L	98.3	Very high	95.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128	171.1	-177.5	61.6	0	0	0	109.8	L508 M521 V524 L530 I535 L549 L558 H560 L561 S562	L508-L533 HydrophobicContact CB-CD1 3.99Å; L508-L533 HydrophobicContact CD2-CD1 3.93Å; L508-L533 HydrophobicContact CG-CD1 3.98Å; L508-L533 WeakPolarHBondContact O-CA 3.49Å; M521-L533 HydrophobicContact CE-CD2 3.99Å; V524-L533 HydrophobicContact CG1-CD1 4.16Å; V524-L533 HydrophobicContact CG1-CD2 4.14Å; L530-L533 HydrophobicContact CD2-CB 4.11Å; L530-L533 HydrophobicContact CD2-CD1 4.41Å; L530-L533 HydrophobicContact CD2-CD2 4.32Å; L533-I535 HydrophobicContact CD1-CG2 3.76Å; L533-I535 HydrophobicContact CD2-CG2 4.36Å; L533-I535 HydrophobicContact CG-CG2 4.01Å; L533-L549 HydrophobicContact CD2-CD1 3.73Å; L533-L549 HydrophobicContact CD2-CD2 3.72Å; L533-L549 HydrophobicContact CD2-CG 4.36Å; L533-L558 HydrophobicContact CB-CD1 4.03Å; L533-H560 PolarHBondContact N-O 3.03Å; L533-L561 HydrophobicContact CB-CD1 4.16Å; L533-L561 HydrophobicContact CD2-CD1 4.05Å; L533-L561 HydrophobicContact CG-CD1 4.22Å; L533-L561 CarbonylContact O-C 3.52Å; L533-L561 VanDerWaalsContact O-CA 3.3Å; L533-L561 WeakPolarHBondContact O-CA 3.33Å; L533-S562 PolarHBondContact O-N 3.26Å
534	D	98.2	Very high	95.5	Very high	14 Å²	14	41.7 Å²	41.7	8%	0.075	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	115.6	170.7	-170	-11	0	0	0	108.2	L508 H509 V510 Y532 S536 S562	L508-D534 PolarHBondContact O-N 3.42Å; H509-D534 HydrophobicContact CB-CB 4.45Å; H509-D534 IonicContact CE1-OD2 3.74Å; H509-D534 PolarHBondContact CE1-OD2 3.44Å; H509-D534 WeakPolarHBondContact ND1-CB 3.36Å; H509-D534 IonicContact ND1-OD2 3.13Å; H509-D534 PolarHBondContact ND1-OD2 3.02Å; V510-D534 CarbonylContact C-O 3.43Å; V510-D534 PolarHBondContact N-O 3.22Å; Y532-D534 HydrophobicContact CE1-CB 3.65Å; Y532-D534 PolarHBondContact OH-OD2 2.77Å; D534-S536 VanDerWaalsContact OD1-CB 3.32Å; D534-S536 WeakPolarHBondContact OD1-CB 3.46Å; D534-S536 PolarHBondContact OD1-N 2.98Å; D534-S536 VanDerWaalsContact OD1-N 3.14Å; D534-S536 PolarHBondContact OD1-OG 3.5Å; D534-S562 VanDerWaalsContact OD1-CB 3.31Å; D534-S562 WeakPolarHBondContact OD1-CB 3.44Å; D534-S562 PolarHBondContact OD1-OG 3.18Å
535	I	96.8	Very high	95.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.208	C	C	.	.			trans	-123	30.5	177.8	57	171.5	0	0	0	110.8	V510 M516 M521 L533 C538 V541 I546 S562 I563 C566	V510-I535 CarbonylContact O-C 3.55Å; V510-I535 VanDerWaalsContact O-CA 3.22Å; V510-I535 WeakPolarHBondContact O-CA 3.38Å; M516-I535 HydrophobicContact CG-CG2 4.44Å; M521-I535 HydrophobicContact CE-CD1 3.83Å; M521-I535 HydrophobicContact SD-CD1 3.73Å; M521-I535 HydrophobicContact SD-CG2 4.1Å; L533-I535 HydrophobicContact CD1-CG2 3.76Å; L533-I535 HydrophobicContact CD2-CG2 4.36Å; L533-I535 HydrophobicContact CG-CG2 4.01Å; I535-C538 HydrophobicContact CB-CB 4.43Å; I535-C538 VanDerWaalsContact O-CB 3.23Å; I535-C538 WeakPolarHBondContact O-CB 3.26Å; I535-C538 PolarHBondContact O-N 2.79Å; I535-C538 PolarHBondContact O-SG 3.31Å; I535-V541 HydrophobicContact CD1-CB 4.5Å; I535-V541 HydrophobicContact CD1-CG1 3.96Å; I535-V541 HydrophobicContact CD1-CG2 4.43Å; I535-I546 HydrophobicContact CD1-CD1 4.26Å; I535-S562 PolarHBondContact N-O 3.13Å; I535-I563 HydrophobicContact CD1-CG2 3.89Å; I535-I563 HydrophobicContact CG1-CG2 3.74Å; I535-C566 PolarHBondContact O-SG 2.87Å
536	S	96	Very high	95.6	Very high	11 Å²	11	40.6 Å²	40.6	8%	0.077	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	148.6	-177.6	-54.9	0	0	0	0	111.1	V511 D512 D534 C538 S562 S564	V511-S536 CarbonylContact C-O 3.42Å; V511-S536 VanDerWaalsContact CA-O 3.29Å; V511-S536 WeakPolarHBondContact CA-O 3.46Å; D512-S536 PolarHBondContact N-O 3.43Å; D534-S536 VanDerWaalsContact OD1-CB 3.32Å; D534-S536 WeakPolarHBondContact OD1-CB 3.46Å; D534-S536 PolarHBondContact OD1-N 2.98Å; D534-S536 VanDerWaalsContact OD1-N 3.14Å; D534-S536 PolarHBondContact OD1-OG 3.5Å; S536-C538 PolarHBondContact O-N 2.82Å; S536-S562 PolarHBondContact OG-OG 3.12Å; S536-S564 CarbonylContact C-O 3.42Å; S536-S564 WeakPolarHBondContact CA-O 3.16Å
537	L	92.9	Very high	95.7	Very high	56 Å²	56	41.9 Å²	41.9	29%	0.293	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	6.2	-178.5	-69.3	158.1	0	0	0	115	V511 D512 S539 S564 Q565	V511-L537 HydrophobicContact CG1-CB 4.48Å; V511-L537 HydrophobicContact CG1-CD1 4.04Å; D512-L537 HydrophobicContact CB-CB 3.84Å; D512-L537 HydrophobicContact CB-CD1 4.1Å; L537-S539 VanDerWaalsContact C-N 3.28Å; L537-S539 PolarHBondContact O-N 3.42Å; L537-S564 PolarHBondContact N-O 3.26Å; L537-Q565 HydrophobicContact CD2-CB 3.6Å; L537-Q565 VanDerWaalsContact CD2-CD 3.46Å; L537-Q565 HydrophobicContact CD2-CG 4.12Å; L537-Q565 VanDerWaalsContact CD2-OE1 3.29Å; L537-Q565 HydrophobicContact CG-CB 3.98Å
538	C	93.4	Very high	95.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.21	C	C	.	.			trans	-78.8	78.5	174.4	-64.8	0	0	0	0	110.1	V510 M516 I535 S536 R540 V541	V510-C538 PolarHBondContact O-SG 3.11Å; M516-C538 HydrophobicContact CB-CB 4.15Å; M516-C538 HydrophobicContact CG-CB 4.24Å; I535-C538 HydrophobicContact CB-CB 4.43Å; I535-C538 VanDerWaalsContact O-CB 3.23Å; I535-C538 WeakPolarHBondContact O-CB 3.26Å; I535-C538 PolarHBondContact O-N 2.79Å; I535-C538 PolarHBondContact O-SG 3.31Å; S536-C538 PolarHBondContact O-N 2.82Å; C538-R540 PolarHBondContact O-N 2.98Å; C538-V541 HydrophobicContact CB-CG2 3.94Å; C538-V541 PolarHBondContact O-N 3.19Å
539	S	89.6	Confident	96	Very high	68 Å²	68	37 Å²	37	48%	0.476	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-16.6	-171.6	59.4	0	0	0	0	115.6	L537 L568	L537-S539 VanDerWaalsContact C-N 3.28Å; L537-S539 PolarHBondContact O-N 3.42Å; S539-L568 WeakPolarHBondContact O-CD1 3.37Å
540	R	93.3	Very high	96	Very high	149 Å²	149	32.5 Å²	32.5	56%	0.562	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	2.2	179	-58.5	-165.2	-174.5	166	-4.9	114.2	P514 T517 C538	P514-R540 WeakPolarHBondContact O-CD 3.33Å; T517-R540 HydrophobicContact CG2-CB 4.02Å; C538-R540 PolarHBondContact O-N 2.98Å
541	V	95.9	Very high	95.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.186	C	C	.	.			trans	-89.6	125.2	172.5	-179.1	0	0	0	0	109.9	M516 M521 I535 C538	M516-V541 HydrophobicContact CG-CG2 3.93Å; M516-V541 WeakPolarHBondContact O-CG2 3.28Å; M521-V541 HydrophobicContact CG-CG1 3.93Å; M521-V541 HydrophobicContact CG-CG2 4.02Å; I535-V541 HydrophobicContact CD1-CB 4.5Å; I535-V541 HydrophobicContact CD1-CG1 3.96Å; I535-V541 HydrophobicContact CD1-CG2 4.43Å; C538-V541 HydrophobicContact CB-CG2 3.94Å; C538-V541 PolarHBondContact O-N 3.19Å
542	S	96.1	Very high	95.7	Very high	22 Å²	22	35.7 Å²	35.7	15%	0.154	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-112.6	-174.5	179.9	83.5	0	0	0	0	112.1	D518 V544 G545 I546	D518-S542 PolarHBondContact OD1-N 3.39Å; D518-S542 PolarHBondContact OD1-OG 2.92Å; D518-S542 WeakPolarHBondContact OD2-CB 3.13Å; D518-S542 PolarHBondContact OD2-OG 2.75Å; S542-V544 PolarHBondContact O-N 2.96Å; S542-V544 VanDerWaalsContact O-N 3.1Å; S542-V544 PolarHBondContact OG-N 3.35Å; S542-V544 VanDerWaalsContact OG-N 3.12Å; S542-G545 PolarHBondContact O-N 3.47Å; S542-G545 VanDerWaalsContact O-N 3.12Å; S542-I546 PolarHBondContact O-N 3.11Å
543	D	96.3	Very high	95.5	Very high	27 Å²	27	36.8 Å²	36.8	14%	0.144	19%	0.194	C	C	.	.	H	α-helix	trans	-57.1	-21.9	171.7	-64.3	-27.9	0	0	0	113.6	K547 T570 S573	D543-K547 WeakPolarHBondContact O-CB 3.24Å; D543-K547 PolarHBondContact O-N 3.43Å; D543-T570 PolarHBondContact OD1-N 3.04Å; D543-T570 PolarHBondContact OD1-OG1 3.31Å; D543-T570 PolarHBondContact OD2-OG1 3.49Å; D543-S573 VanDerWaalsContact CA-OG 3.31Å; D543-S573 WeakPolarHBondContact CA-OG 3.4Å; D543-S573 VanDerWaalsContact OD1-CB 3.31Å; D543-S573 WeakPolarHBondContact OD1-CB 3.45Å; D543-S573 PolarHBondContact OD1-OG 2.92Å
544	V	96.8	Very high	95.2	Very high	68 Å²	68	37.1 Å²	37.1	41%	0.412	20%	0.196	S	C	.	.	H	α-helix	trans	-70.7	-44.9	175.6	-179.4	0	0	0	0	110.8	D518 S542 I546 K547 Y548	D518-V544 HydrophobicContact CB-CB 4.41Å; D518-V544 HydrophobicContact CB-CG1 4.39Å; S542-V544 PolarHBondContact O-N 2.96Å; S542-V544 VanDerWaalsContact O-N 3.1Å; S542-V544 PolarHBondContact OG-N 3.35Å; S542-V544 VanDerWaalsContact OG-N 3.12Å; V544-I546 VanDerWaalsContact C-N 3.33Å; V544-I546 PolarHBondContact O-N 2.95Å; V544-K547 WeakPolarHBondContact O-CA 3.34Å; V544-K547 VanDerWaalsContact O-CB 3.28Å; V544-K547 WeakPolarHBondContact O-CB 3.46Å; V544-K547 PolarHBondContact O-N 3.43Å; V544-K547 VanDerWaalsContact O-N 3.11Å; V544-Y548 HydrophobicContact CG1-CD2 4.32Å; V544-Y548 HydrophobicContact CG1-CE2 3.74Å; V544-Y548 WeakPolarHBondContact O-CD2 3.22Å; V544-Y548 PolarHBondContact O-N 3.28Å
545	G	96.8	Very high	94.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61	-41.6	175.2	0	0	0	0	0	112.3	D518 S542 K547 Y548 L549	D518-G545 WeakPolarHBondContact OD1-CA 3.43Å; D518-G545 PolarHBondContact OD1-N 3.36Å; S542-G545 PolarHBondContact O-N 3.47Å; S542-G545 VanDerWaalsContact O-N 3.12Å; G545-K547 VanDerWaalsContact C-N 3.34Å; G545-K547 PolarHBondContact O-N 3.26Å; G545-Y548 PolarHBondContact O-N 3.01Å; G545-L549 PolarHBondContact O-N 3.35Å
546	I	97.1	Very high	94.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.6	-37.2	173.8	-58.1	-56	0	0	0	111.5	I535 S542 V544 Y548 L549 T550 I563 I569 S573 I577	I535-I546 HydrophobicContact CD1-CD1 4.26Å; S542-I546 PolarHBondContact O-N 3.11Å; V544-I546 VanDerWaalsContact C-N 3.33Å; V544-I546 PolarHBondContact O-N 2.95Å; I546-Y548 VanDerWaalsContact C-N 3.34Å; I546-Y548 PolarHBondContact O-N 2.9Å; I546-L549 PolarHBondContact O-N 2.89Å; I546-T550 HydrophobicContact CG2-CG2 4.13Å; I546-T550 VanDerWaalsContact O-CG2 3.31Å; I546-T550 WeakPolarHBondContact O-CG2 3.47Å; I546-T550 PolarHBondContact O-N 3.07Å; I546-T550 PolarHBondContact O-OG1 3.26Å; I546-I563 HydrophobicContact CD1-CG2 4Å; I546-I569 HydrophobicContact CD1-CD1 4.19Å; I546-I569 HydrophobicContact CG1-CD1 4.07Å; I546-S573 WeakPolarHBondContact CB-OG 3.05Å; I546-I577 HydrophobicContact CG2-CD1 3.87Å; I546-I577 HydrophobicContact CG2-CG1 3.77Å
547	K	97.1	Very high	94.6	Very high	81 Å²	81	45.8 Å²	45.8	35%	0.352	24%	0.238	S	C	.	.	H	α-helix	trans	-56.2	-49.9	172.6	-179.5	-167.1	169.5	-167.8	0	110.4	D543 V544 G545 L549 T550 E551	D543-K547 WeakPolarHBondContact O-CB 3.24Å; D543-K547 PolarHBondContact O-N 3.43Å; V544-K547 WeakPolarHBondContact O-CA 3.34Å; V544-K547 VanDerWaalsContact O-CB 3.28Å; V544-K547 WeakPolarHBondContact O-CB 3.46Å; V544-K547 PolarHBondContact O-N 3.43Å; V544-K547 VanDerWaalsContact O-N 3.11Å; G545-K547 VanDerWaalsContact C-N 3.34Å; G545-K547 PolarHBondContact O-N 3.26Å; K547-L549 PolarHBondContact O-N 2.92Å; K547-T550 PolarHBondContact O-N 2.87Å; K547-T550 PolarHBondContact O-OG1 3.13Å; K547-E551 WeakPolarHBondContact CE-OE1 3.38Å; K547-E551 VanDerWaalsContact CE-OE2 3.27Å; K547-E551 WeakPolarHBondContact CE-OE2 3.46Å; K547-E551 HydrophobicContact CG-CG 4.49Å; K547-E551 WeakPolarHBondContact O-CG 3.48Å; K547-E551 PolarHBondContact O-N 2.91Å
548	Y	97.3	Very high	94.8	Very high	64 Å²	64	43.1 Å²	43.1	25%	0.251	23%	0.225	S	C	.	.	H	α-helix	trans	-57.1	-47.2	176.9	-66.7	-49.5	0	0	0	112	D518 K522 S525 V544 G545 I546 T550 E551 G552	D518-Y548 WeakPolarHBondContact O-CD2 3.22Å; K522-Y548 HydrophobicContact CB-CD2 3.9Å; K522-Y548 HydrophobicContact CB-CE2 4.12Å; K522-Y548 HydrophobicContact CB-CG 4.14Å; S525-Y548 VanDerWaalsContact CB-O 3.22Å; S525-Y548 WeakPolarHBondContact CB-O 3.26Å; V544-Y548 HydrophobicContact CG1-CD2 4.32Å; V544-Y548 HydrophobicContact CG1-CE2 3.74Å; V544-Y548 WeakPolarHBondContact O-CD2 3.22Å; V544-Y548 PolarHBondContact O-N 3.28Å; G545-Y548 PolarHBondContact O-N 3.01Å; I546-Y548 VanDerWaalsContact C-N 3.34Å; I546-Y548 PolarHBondContact O-N 2.9Å; Y548-T550 VanDerWaalsContact C-N 3.32Å; Y548-T550 PolarHBondContact O-N 2.9Å; Y548-E551 CarbonylContact O-C 3.44Å; Y548-E551 PolarHBondContact O-N 3.08Å; Y548-G552 PolarHBondContact O-N 2.95Å
549	L	96.5	Very high	95	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-56	-45.9	176.7	-179.4	66.9	0	0	0	112.4	M521 L530 L533 G545 I546 K547 E551 G552 L558 L561	M521-L549 HydrophobicContact CE-CB 3.88Å; M521-L549 HydrophobicContact CE-CD1 4.45Å; M521-L549 HydrophobicContact CE-CD2 4.13Å; M521-L549 HydrophobicContact CE-CG 4.38Å; L530-L549 HydrophobicContact CD2-CD1 4.38Å; L533-L549 HydrophobicContact CD2-CD1 3.73Å; L533-L549 HydrophobicContact CD2-CD2 3.72Å; L533-L549 HydrophobicContact CD2-CG 4.36Å; G545-L549 PolarHBondContact O-N 3.35Å; I546-L549 PolarHBondContact O-N 2.89Å; K547-L549 PolarHBondContact O-N 2.92Å; L549-E551 VanDerWaalsContact C-N 3.34Å; L549-E551 PolarHBondContact O-N 3.1Å; L549-G552 PolarHBondContact O-N 2.91Å; L549-L558 HydrophobicContact CD1-CD2 4.5Å; L549-L558 HydrophobicContact CD2-CD2 4.1Å; L549-L561 HydrophobicContact CD2-CD1 3.91Å; L549-L561 HydrophobicContact CD2-CD2 4.16Å
550	T	95.9	Very high	95.4	Very high	4 Å²	4	46.3 Å²	46.3	3%	0.025	23%	0.232	C	C	.	.	H	α-helix	trans	-74.4	-21.3	-177.3	61.4	0	0	0	0	114.3	I546 K547 Y548 A555 R576 I577 R580 L581	I546-T550 HydrophobicContact CG2-CG2 4.13Å; I546-T550 VanDerWaalsContact O-CG2 3.31Å; I546-T550 WeakPolarHBondContact O-CG2 3.47Å; I546-T550 PolarHBondContact O-N 3.07Å; I546-T550 PolarHBondContact O-OG1 3.26Å; K547-T550 PolarHBondContact O-N 2.87Å; K547-T550 PolarHBondContact O-OG1 3.13Å; Y548-T550 VanDerWaalsContact C-N 3.32Å; Y548-T550 PolarHBondContact O-N 2.9Å; T550-A555 WeakPolarHBondContact O-CB 3.42Å; T550-R576 HydrophobicContact CG2-CB 4.19Å; T550-I577 HydrophobicContact CG2-CG1 4.25Å; T550-R580 HydrophobicContact CG2-CB 4.38Å; T550-L581 HydrophobicContact CG2-CD1 4.37Å; T550-L581 HydrophobicContact CG2-CD2 4.42Å; T550-L581 HydrophobicContact CG2-CG 4.21Å
551	E	95.2	Very high	95.6	Very high	111 Å²	111	39.2 Å²	39.2	52%	0.519	21%	0.205	S	C	.	.	H	α-helix	trans	-94.4	-6.3	173.7	-68	175.7	-178.7	0	0	112.3	K547 Y548 L549	K547-E551 WeakPolarHBondContact CE-OE1 3.38Å; K547-E551 VanDerWaalsContact CE-OE2 3.27Å; K547-E551 WeakPolarHBondContact CE-OE2 3.46Å; K547-E551 HydrophobicContact CG-CG 4.49Å; K547-E551 WeakPolarHBondContact O-CG 3.48Å; K547-E551 PolarHBondContact O-N 2.91Å; Y548-E551 CarbonylContact O-C 3.44Å; Y548-E551 PolarHBondContact O-N 3.08Å; L549-E551 VanDerWaalsContact C-N 3.34Å; L549-E551 PolarHBondContact O-N 3.1Å
552	G	92.9	Very high	95.7	Very high	16 Å²	16	39.3 Å²	39.3	17%	0.165	21%	0.206	C	C	.	.	S	Bend	trans	-77.1	175.1	-177	0	0	0	0	0	115.5	S525 Y548 L549 S554 A555	S525-G552 CarbonylContact O-C 3.52Å; S525-G552 VanDerWaalsContact O-CA 3.32Å; S525-G552 WeakPolarHBondContact O-CA 3.28Å; Y548-G552 PolarHBondContact O-N 2.95Å; L549-G552 PolarHBondContact O-N 2.91Å; G552-S554 VanDerWaalsContact C-N 3.27Å; G552-S554 PolarHBondContact O-N 3.38Å; G552-A555 PolarHBondContact O-N 3.4Å
553	S	92.9	Very high	95.7	Very high	76 Å²	76	38.3 Å²	38.3	53%	0.531	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-24.2	-173.2	-64.1	0	0	0	0	113.7	S525 L527	S525-S553 PolarHBondContact O-N 3.06Å; L527-S553 WeakPolarHBondContact O-CB 3.47Å
554	S	92.6	Very high	95.7	Very high	6 Å²	6	37.4 Å²	37.4	4%	0.042	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	4	-178.1	-71.2	0	0	0	0	114.8	L527 H529 L530 G552 N556 K557 L558	L527-S554 VanDerWaalsContact C-OG 3.27Å; L527-S554 WeakPolarHBondContact O-CB 3.5Å; L527-S554 PolarHBondContact O-N 3.31Å; L527-S554 PolarHBondContact O-OG 2.93Å; H529-S554 PolarHBondContact N-OG 3.03Å; L530-S554 WeakPolarHBondContact CB-OG 3.31Å; L530-S554 PolarHBondContact N-OG 3.03Å; G552-S554 VanDerWaalsContact C-N 3.27Å; G552-S554 PolarHBondContact O-N 3.38Å; S554-N556 PolarHBondContact O-N 3.14Å; S554-N556 VanDerWaalsContact O-N 3.08Å; S554-K557 PolarHBondContact O-N 3.29Å; S554-L558 PolarHBondContact O-N 2.98Å
555	A	92.5	Very high	95.4	Very high	10 Å²	10	38.4 Å²	38.4	8%	0.083	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-34.8	-176.2	0	0	0	0	0	113.8	T550 G552 K557 L581	T550-A555 WeakPolarHBondContact O-CB 3.42Å; G552-A555 PolarHBondContact O-N 3.4Å; A555-K557 VanDerWaalsContact C-N 3.34Å; A555-L581 HydrophobicContact CB-CD2 3.83Å; A555-L581 VanDerWaalsContact O-CD2 3.24Å; A555-L581 WeakPolarHBondContact O-CD2 3.46Å
556	N	91.8	Very high	95.2	Very high	109 Å²	109	38.4 Å²	38.4	58%	0.583	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	3.3	179.4	-66.5	-32.1	0	0	0	114.4	S554 K583	S554-N556 PolarHBondContact O-N 3.14Å; S554-N556 VanDerWaalsContact O-N 3.08Å; N556-K583 WeakPolarHBondContact O-CD 3.5Å
557	K	94.3	Very high	94.7	Very high	88 Å²	88	40.1 Å²	40.1	38%	0.383	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-23.4	-177.9	-67	-177.3	-176.6	175.6	0	113.1	R528 S554 A555 Q559	R528-K557 VanDerWaalsContact O-CD 3.28Å; R528-K557 WeakPolarHBondContact O-CD 3.47Å; R528-K557 WeakPolarHBondContact O-CE 3.43Å; R528-K557 PolarHBondContact O-NZ 3.27Å; S554-K557 PolarHBondContact O-N 3.29Å; A555-K557 VanDerWaalsContact C-N 3.34Å; K557-Q559 WeakPolarHBondContact O-CG 3.25Å; K557-Q559 PolarHBondContact O-N 2.88Å
558	L	97	Very high	94.5	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	22%	0.215	C	C	.	.			trans	-60.5	125.1	-178.3	-159.6	71	0	0	0	110.9	L530 L533 L549 S554 L561 L581 K583 L584	L530-L558 HydrophobicContact CD2-CD1 4.12Å; L530-L558 HydrophobicContact CG-CD1 3.94Å; L530-L558 PolarHBondContact O-N 3.05Å; L533-L558 HydrophobicContact CB-CD1 4.03Å; L549-L558 HydrophobicContact CD1-CD2 4.5Å; L549-L558 HydrophobicContact CD2-CD2 4.1Å; S554-L558 PolarHBondContact O-N 2.98Å; L558-L561 HydrophobicContact CD2-CB 4.07Å; L558-L561 HydrophobicContact CD2-CD1 4.33Å; L558-L561 HydrophobicContact CD2-CD2 4.44Å; L558-L581 HydrophobicContact CD2-CD1 3.92Å; L558-K583 CarbonylContact O-C 3.56Å; L558-K583 VanDerWaalsContact O-O 3.12Å; L558-L584 HydrophobicContact CD2-CD1 4.44Å; L558-L584 HydrophobicContact CG-CD1 4.37Å; L558-L584 WeakPolarHBondContact O-CA 3.23Å; L558-L584 PolarHBondContact O-N 2.78Å
559	Q	97.3	Very high	94.3	Very high	89 Å²	89	36.9 Å²	36.9	42%	0.416	20%	0.203	S	C	.	.			trans	-113.3	-31	-177.2	-69.4	179.4	5.1	0	0	112.3	N531 K557 K583 F585 H586	N531-Q559 WeakPolarHBondContact O-CA 3.12Å; N531-Q559 PolarHBondContact O-N 2.84Å; K557-Q559 WeakPolarHBondContact O-CG 3.25Å; K557-Q559 PolarHBondContact O-N 2.88Å; Q559-K583 WeakPolarHBondContact CA-O 3.49Å; Q559-F585 HydrophobicContact CB-CD2 4.01Å; Q559-F585 HydrophobicContact CG-CD2 3.91Å; Q559-F585 HydrophobicContact CG-CE2 3.97Å; Q559-F585 PolarHBondContact O-N 2.92Å; Q559-H586 PolarHBondContact O-N 2.93Å
560	H	98.3	Very high	94.2	Very high	45 Å²	45	37.8 Å²	37.8	21%	0.208	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	126.2	178.7	-173.7	98.6	0	0	0	110.1	N531 Y532 L533 H586	N531-H560 PolarHBondContact O-N 2.61Å; Y532-H560 HydrophobicContact CD2-CB 3.6Å; Y532-H560 AromaticContact CD2-CD2 3.43Å; Y532-H560 VanDerWaalsContact CD2-CD2 3.43Å; Y532-H560 WeakPolarHBondContact CD2-CD2 3.3Å; Y532-H560 AromaticContact CD2-CG 3.49Å; Y532-H560 VanDerWaalsContact CD2-CG 3.49Å; Y532-H560 HydrophobicContact CE2-CB 4.21Å; Y532-H560 AromaticContact CE2-CD2 3.18Å; Y532-H560 WeakPolarHBondContact CE2-CD2 3.48Å; Y532-H560 AromaticContact CE2-CE1 3.98Å; Y532-H560 AromaticContact CE2-CG 3.56Å; Y532-H560 AromaticContact CE2-NE2 3.5Å; Y532-H560 HydrophobicContact CG-CB 4.21Å; Y532-H560 AromaticContact CZ-CD2 3.64Å; Y532-H560 AromaticContact CZ-NE2 3.8Å; L533-H560 PolarHBondContact N-O 3.03Å; H560-H586 HydrophobicContact CB-CB 4.3Å; H560-H586 VanDerWaalsContact ND1-CB 3.26Å; H560-H586 WeakPolarHBondContact ND1-CB 3.27Å; H560-H586 AromaticContact ND1-CG 3.8Å
561	L	98.2	Very high	93.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	119.5	174.5	178.6	58.9	0	0	0	109.4	L533 L549 L558 I563 I577 L581 L584 H586 L587 N588	L533-L561 HydrophobicContact CB-CD1 4.16Å; L533-L561 HydrophobicContact CD2-CD1 4.05Å; L533-L561 HydrophobicContact CG-CD1 4.22Å; L533-L561 CarbonylContact O-C 3.52Å; L533-L561 VanDerWaalsContact O-CA 3.3Å; L533-L561 WeakPolarHBondContact O-CA 3.33Å; L549-L561 HydrophobicContact CD2-CD1 3.91Å; L549-L561 HydrophobicContact CD2-CD2 4.16Å; L558-L561 HydrophobicContact CD2-CB 4.07Å; L558-L561 HydrophobicContact CD2-CD1 4.33Å; L558-L561 HydrophobicContact CD2-CD2 4.44Å; L561-I563 HydrophobicContact CD1-CG2 3.74Å; L561-I563 HydrophobicContact CD2-CG2 4.39Å; L561-I563 HydrophobicContact CG-CG2 3.95Å; L561-I577 HydrophobicContact CD2-CD1 3.75Å; L561-I577 HydrophobicContact CD2-CG1 4.05Å; L561-L581 HydrophobicContact CD2-CD1 4.08Å; L561-L584 HydrophobicContact CB-CD1 3.66Å; L561-L584 HydrophobicContact CB-CD2 4.34Å; L561-H586 PolarHBondContact N-O 2.88Å; L561-L587 HydrophobicContact CB-CD1 4.27Å; L561-L587 HydrophobicContact CD2-CD1 4.19Å; L561-L587 HydrophobicContact CG-CD1 4.23Å; L561-L587 WeakPolarHBondContact O-CA 3.39Å; L561-N588 PolarHBondContact O-N 2.99Å
562	S	97.8	Very high	93.9	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	123	170.1	-171.9	0	0	0	0	110.1	L533 D534 I535 S536 N588	L533-S562 PolarHBondContact O-N 3.26Å; D534-S562 VanDerWaalsContact OD1-CB 3.31Å; D534-S562 WeakPolarHBondContact OD1-CB 3.44Å; D534-S562 PolarHBondContact OD1-OG 3.18Å; I535-S562 PolarHBondContact N-O 3.13Å; S536-S562 PolarHBondContact OG-OG 3.12Å; S562-N588 WeakPolarHBondContact OG-CB 3.15Å; S562-N588 PolarHBondContact OG-ND2 2.62Å
563	I	96.2	Very high	94	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.203	C	C	.	.			trans	-129.6	33.3	179	59.9	-176.5	0	0	0	110.2	I535 I546 L561 C566 I569 I574 I577 N588 L589 C592	I535-I563 HydrophobicContact CD1-CG2 3.89Å; I535-I563 HydrophobicContact CG1-CG2 3.74Å; I546-I563 HydrophobicContact CD1-CG2 4Å; L561-I563 HydrophobicContact CD1-CG2 3.74Å; L561-I563 HydrophobicContact CD2-CG2 4.39Å; L561-I563 HydrophobicContact CG-CG2 3.95Å; I563-C566 WeakPolarHBondContact O-CB 3.3Å; I563-C566 PolarHBondContact O-N 3.07Å; I563-C566 PolarHBondContact O-SG 3.45Å; I563-I569 HydrophobicContact CB-CD1 3.73Å; I563-I569 HydrophobicContact CD1-CD1 3.84Å; I563-I569 HydrophobicContact CD1-CG2 4.03Å; I563-I569 HydrophobicContact CG1-CD1 4.15Å; I563-I569 HydrophobicContact CG2-CD1 4.19Å; I563-I574 HydrophobicContact CD1-CD1 4.47Å; I563-I577 HydrophobicContact CD1-CD1 3.96Å; I563-N588 WeakPolarHBondContact CG1-O 3.49Å; I563-N588 PolarHBondContact N-O 3.24Å; I563-L589 HydrophobicContact CD1-CD2 3.49Å; I563-L589 VanDerWaalsContact CD1-CD2 3.49Å; I563-L589 HydrophobicContact CG1-CD2 3.54Å; I563-C592 PolarHBondContact O-SG 2.95Å
564	S	95.3	Very high	94.1	Very high	9 Å²	9	34.2 Å²	34.2	6%	0.063	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	142.7	-177.9	176.9	0	0	0	0	111.4	S536 L537 C566 S590	S536-S564 CarbonylContact C-O 3.42Å; S536-S564 WeakPolarHBondContact CA-O 3.16Å; L537-S564 PolarHBondContact N-O 3.26Å; S564-C566 PolarHBondContact O-N 3.18Å; S564-C566 VanDerWaalsContact O-N 3.09Å; S564-S590 CarbonylContact C-O 3.56Å; S564-S590 VanDerWaalsContact CA-O 3.24Å; S564-S590 WeakPolarHBondContact CA-O 3.47Å; S564-S590 WeakPolarHBondContact CB-OG 3.46Å; S564-S590 PolarHBondContact OG-O 2.67Å; S564-S590 PolarHBondContact OG-OG 3.25Å
565	Q	91.2	Very high	94.2	Very high	88 Å²	88	37.2 Å²	37.2	41%	0.411	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	23.8	178.1	-67.6	-178.6	75.7	0	0	114.6	L537 G567 S590 Y591	L537-Q565 HydrophobicContact CD2-CB 3.6Å; L537-Q565 VanDerWaalsContact CD2-CD 3.46Å; L537-Q565 HydrophobicContact CD2-CG 4.12Å; L537-Q565 VanDerWaalsContact CD2-OE1 3.29Å; L537-Q565 HydrophobicContact CG-CB 3.98Å; Q565-G567 PolarHBondContact O-N 3.29Å; Q565-S590 PolarHBondContact N-O 3.35Å; Q565-Y591 VanDerWaalsContact CG-CB 3.46Å; Q565-Y591 HydrophobicContact CG-CD2 4.02Å; Q565-Y591 HydrophobicContact CG-CG 4.05Å
566	C	91.7	Very high	94.3	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.202	C	C	.	.			trans	-87.5	89.9	172.7	-66.6	0	0	0	0	110.4	I535 I563 S564 L568 I569	I535-C566 PolarHBondContact O-SG 2.87Å; I563-C566 WeakPolarHBondContact O-CB 3.3Å; I563-C566 PolarHBondContact O-N 3.07Å; I563-C566 PolarHBondContact O-SG 3.45Å; S564-C566 PolarHBondContact O-N 3.18Å; S564-C566 VanDerWaalsContact O-N 3.09Å; C566-L568 PolarHBondContact O-N 3.05Å; C566-I569 HydrophobicContact CB-CB 4.39Å; C566-I569 HydrophobicContact CB-CD1 3.37Å; C566-I569 HydrophobicContact CB-CG1 3.71Å; C566-I569 WeakPolarHBondContact O-CB 3.37Å; C566-I569 PolarHBondContact O-N 3.17Å; C566-I569 VanDerWaalsContact O-N 3.1Å
567	G	87.3	Confident	94.5	Very high	36 Å²	36	35.9 Å²	35.9	37%	0.371	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-5.6	-171.8	0	0	0	0	0	117.1	Q565 K594	Q565-G567 PolarHBondContact O-N 3.29Å; G567-K594 VanDerWaalsContact O-CD 3.31Å; G567-K594 WeakPolarHBondContact O-CD 3.41Å; G567-K594 WeakPolarHBondContact O-CE 3.44Å; G567-K594 PolarHBondContact O-NZ 3.04Å
568	L	91.9	Very high	94.4	Very high	77 Å²	77	32.4 Å²	32.4	40%	0.403	16%	0.161	S	C	.	.	B	Isolated β-bridge	trans	-100.4	-2.3	175.8	-60.5	179.7	0	0	0	113.4	S539 C566	S539-L568 WeakPolarHBondContact O-CD1 3.37Å; C566-L568 PolarHBondContact O-N 3.05Å
569	I	93.7	Very high	94.2	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	19%	0.193	C	C	.	.			trans	-87.6	132.9	-179.2	-63	-173.4	0	0	0	110.4	I546 I563 C566 K594	I546-I569 HydrophobicContact CD1-CD1 4.19Å; I546-I569 HydrophobicContact CG1-CD1 4.07Å; I563-I569 HydrophobicContact CB-CD1 3.73Å; I563-I569 HydrophobicContact CD1-CD1 3.84Å; I563-I569 HydrophobicContact CD1-CG2 4.03Å; I563-I569 HydrophobicContact CG1-CD1 4.15Å; I563-I569 HydrophobicContact CG2-CD1 4.19Å; C566-I569 HydrophobicContact CB-CB 4.39Å; C566-I569 HydrophobicContact CB-CD1 3.37Å; C566-I569 HydrophobicContact CB-CG1 3.71Å; C566-I569 WeakPolarHBondContact O-CB 3.37Å; C566-I569 PolarHBondContact O-N 3.17Å; C566-I569 VanDerWaalsContact O-N 3.1Å; I569-K594 WeakPolarHBondContact O-CB 3.3Å
570	T	93.8	Very high	94.1	Very high	24 Å²	24	43.2 Å²	43.2	15%	0.147	20%	0.198	C	C	.	.			trans	-121.9	-178.2	-178.6	76.4	0	0	0	0	112	D543 F572 S573 K594	D543-T570 PolarHBondContact OD1-N 3.04Å; D543-T570 PolarHBondContact OD1-OG1 3.31Å; D543-T570 PolarHBondContact OD2-OG1 3.49Å; T570-F572 PolarHBondContact O-N 2.87Å; T570-F572 VanDerWaalsContact O-N 3.11Å; T570-F572 VanDerWaalsContact OG1-CD2 3.31Å; T570-F572 WeakPolarHBondContact OG1-CD2 3.33Å; T570-F572 PolarHBondContact OG1-N 3.41Å; T570-S573 WeakPolarHBondContact O-CB 3.47Å; T570-S573 PolarHBondContact O-N 2.88Å; T570-S573 VanDerWaalsContact O-N 3.09Å; T570-K594 HydrophobicContact CG2-CB 4.29Å; T570-K594 HydrophobicContact CG2-CD 4.29Å
571	E	91.1	Very high	93.9	Very high	24 Å²	24	41.3 Å²	41.3	11%	0.112	19%	0.189	C	C	.	.	H	α-helix	trans	-55.7	-24.4	172.5	67	-85.7	-160.7	0	0	113.7	S573 I574 K575 A599	E571-S573 VanDerWaalsContact C-N 3.32Å; E571-S573 PolarHBondContact O-N 3.18Å; E571-I574 PolarHBondContact O-N 2.8Å; E571-K575 PolarHBondContact O-N 3.41Å; E571-A599 HydrophobicContact CB-CB 3.82Å
572	F	93.4	Very high	93.6	Very high	109 Å²	109	46.1 Å²	46.1	48%	0.478	21%	0.211	S	C	.	.	H	α-helix	trans	-67.4	-32.1	177.4	-65.7	-65.6	0	0	0	112.7	T570 R576	T570-F572 PolarHBondContact O-N 2.87Å; T570-F572 VanDerWaalsContact O-N 3.11Å; T570-F572 VanDerWaalsContact OG1-CD2 3.31Å; T570-F572 WeakPolarHBondContact OG1-CD2 3.33Å; T570-F572 PolarHBondContact OG1-N 3.41Å; F572-R576 WeakPolarHBondContact O-CG 3.21Å; F572-R576 PolarHBondContact O-N 3.11Å; F572-R576 PolarHBondContact O-NH1 2.55Å
573	S	95.3	Very high	93.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.3	-45.4	171.2	-82.5	0	0	0	0	111.6	D543 I546 T570 E571 K575 R576 I577	D543-S573 VanDerWaalsContact CA-OG 3.31Å; D543-S573 WeakPolarHBondContact CA-OG 3.4Å; D543-S573 VanDerWaalsContact OD1-CB 3.31Å; D543-S573 WeakPolarHBondContact OD1-CB 3.45Å; D543-S573 PolarHBondContact OD1-OG 2.92Å; I546-S573 WeakPolarHBondContact CB-OG 3.05Å; T570-S573 WeakPolarHBondContact O-CB 3.47Å; T570-S573 PolarHBondContact O-N 2.88Å; T570-S573 VanDerWaalsContact O-N 3.09Å; E571-S573 VanDerWaalsContact C-N 3.32Å; E571-S573 PolarHBondContact O-N 3.18Å; S573-K575 VanDerWaalsContact C-N 3.31Å; S573-K575 PolarHBondContact O-N 3.05Å; S573-R576 WeakPolarHBondContact O-CB 3.2Å; S573-R576 PolarHBondContact O-N 3.43Å; S573-I577 WeakPolarHBondContact O-CB 3.3Å; S573-I577 WeakPolarHBondContact O-CG1 2.87Å; S573-I577 PolarHBondContact O-N 3.12Å
574	I	95	Very high	93.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-44.1	-180	-51.7	-48.7	0	0	0	110.4	I563 E571 R576 I577 T578 L589 A599 L603	I563-I574 HydrophobicContact CD1-CD1 4.47Å; E571-I574 PolarHBondContact O-N 2.8Å; I574-R576 VanDerWaalsContact C-N 3.27Å; I574-R576 PolarHBondContact O-N 3.43Å; I574-I577 HydrophobicContact CD1-CD1 4.28Å; I574-I577 PolarHBondContact O-N 3.25Å; I574-T578 HydrophobicContact CG2-CG2 4.26Å; I574-T578 WeakPolarHBondContact O-CG2 3.23Å; I574-T578 PolarHBondContact O-N 3.21Å; I574-T578 PolarHBondContact O-OG1 2.88Å; I574-L589 HydrophobicContact CD1-CD1 3.57Å; I574-L589 HydrophobicContact CD1-CD2 3.44Å; I574-L589 VanDerWaalsContact CD1-CD2 3.44Å; I574-L589 HydrophobicContact CD1-CG 4.16Å; I574-L589 HydrophobicContact CG1-CD1 4.2Å; I574-A599 HydrophobicContact CB-CB 4.25Å; I574-A599 HydrophobicContact CG1-CB 4.06Å; I574-A599 HydrophobicContact CG2-CB 4.38Å; I574-L603 HydrophobicContact CG2-CD2 3.88Å; I574-L603 HydrophobicContact CG2-CG 4.15Å
575	K	94.7	Very high	93.5	Very high	68 Å²	68	54.1 Å²	54.1	30%	0.296	25%	0.245	S	C	.	.	H	α-helix	trans	-57	-37.2	173.9	-176.4	179.3	-173.6	167	0	113.2	E571 S573 T578 R579 Y602	E571-K575 PolarHBondContact O-N 3.41Å; S573-K575 VanDerWaalsContact C-N 3.31Å; S573-K575 PolarHBondContact O-N 3.05Å; K575-T578 PolarHBondContact O-OG1 3.43Å; K575-R579 WeakPolarHBondContact O-CB 3.19Å; K575-R579 WeakPolarHBondContact O-CD 3.28Å; K575-R579 WeakPolarHBondContact O-CG 3.26Å; K575-R579 PolarHBondContact O-N 3.1Å; K575-Y602 HydrophobicContact CB-CD1 4.15Å; K575-Y602 HydrophobicContact CB-CD2 3.83Å; K575-Y602 HydrophobicContact CB-CE1 4.34Å; K575-Y602 HydrophobicContact CB-CE2 4.06Å; K575-Y602 HydrophobicContact CB-CG 3.89Å; K575-Y602 HydrophobicContact CD-CD1 4.22Å; K575-Y602 HydrophobicContact CD-CE1 3.7Å; K575-Y602 HydrophobicContact CD-CE2 4.26Å; K575-Y602 HydrophobicContact CG-CD1 3.84Å; K575-Y602 HydrophobicContact CG-CD2 4.39Å; K575-Y602 HydrophobicContact CG-CE1 3.86Å; K575-Y602 HydrophobicContact CG-CE2 4.42Å; K575-Y602 HydrophobicContact CG-CG 4.12Å
576	R	95.5	Very high	93.9	Very high	91 Å²	91	53.9 Å²	53.9	34%	0.343	24%	0.244	S	C	.	.	H	α-helix	trans	-73.4	-46.4	177.2	-73.3	180	176.6	91.5	-3.2	111.2	T550 F572 S573 I574 T578 R579 R580	T550-R576 HydrophobicContact CG2-CB 4.19Å; F572-R576 WeakPolarHBondContact O-CG 3.21Å; F572-R576 PolarHBondContact O-N 3.11Å; F572-R576 PolarHBondContact O-NH1 2.55Å; S573-R576 WeakPolarHBondContact O-CB 3.2Å; S573-R576 PolarHBondContact O-N 3.43Å; I574-R576 VanDerWaalsContact C-N 3.27Å; I574-R576 PolarHBondContact O-N 3.43Å; R576-T578 PolarHBondContact O-N 2.96Å; R576-R579 PolarHBondContact O-N 3.01Å; R576-R580 WeakPolarHBondContact O-CB 3.41Å; R576-R580 PolarHBondContact O-N 3.14Å
577	I	95.8	Very high	94.2	Very high	0 Å²	0	54 Å²	54	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-52.9	-54.5	177.2	-75.3	163.8	0	0	0	109.9	I546 T550 L561 I563 S573 I574 R579 R580 L581 L584 L587	I546-I577 HydrophobicContact CG2-CD1 3.87Å; I546-I577 HydrophobicContact CG2-CG1 3.77Å; T550-I577 HydrophobicContact CG2-CG1 4.25Å; L561-I577 HydrophobicContact CD2-CD1 3.75Å; L561-I577 HydrophobicContact CD2-CG1 4.05Å; I563-I577 HydrophobicContact CD1-CD1 3.96Å; S573-I577 WeakPolarHBondContact O-CB 3.3Å; S573-I577 WeakPolarHBondContact O-CG1 2.87Å; S573-I577 PolarHBondContact O-N 3.12Å; I574-I577 HydrophobicContact CD1-CD1 4.28Å; I574-I577 PolarHBondContact O-N 3.25Å; I577-R579 VanDerWaalsContact C-N 3.29Å; I577-R579 PolarHBondContact O-N 3.01Å; I577-R580 PolarHBondContact O-N 3.02Å; I577-L581 HydrophobicContact CB-CD1 4.3Å; I577-L581 HydrophobicContact CG1-CD1 4.12Å; I577-L581 HydrophobicContact CG2-CD1 4Å; I577-L581 WeakPolarHBondContact O-CA 3.22Å; I577-L581 VanDerWaalsContact O-CB 3.28Å; I577-L581 WeakPolarHBondContact O-CB 3.13Å; I577-L581 PolarHBondContact O-N 2.89Å; I577-L584 HydrophobicContact CG2-CD2 3.56Å; I577-L587 HydrophobicContact CG2-CD2 4.39Å
578	T	93.1	Very high	94.6	Very high	16 Å²	16	54 Å²	54	10%	0.098	24%	0.235	C	C	.	.	H	α-helix	trans	-68.8	-27.5	-174.5	61	0	0	0	0	113.3	I574 K575 R576 Q582 Y602 L603 I608	I574-T578 HydrophobicContact CG2-CG2 4.26Å; I574-T578 WeakPolarHBondContact O-CG2 3.23Å; I574-T578 PolarHBondContact O-N 3.21Å; I574-T578 PolarHBondContact O-OG1 2.88Å; K575-T578 PolarHBondContact O-OG1 3.43Å; R576-T578 PolarHBondContact O-N 2.96Å; T578-Q582 PolarHBondContact O-NE2 2.94Å; T578-Y602 WeakPolarHBondContact CB-O 3.15Å; T578-Y602 WeakPolarHBondContact CG2-O 3.22Å; T578-Y602 PolarHBondContact OG1-O 2.93Å; T578-L603 HydrophobicContact CG2-CD2 3.59Å; T578-L603 HydrophobicContact CG2-CG 4.34Å; T578-I608 HydrophobicContact CG2-CD1 4.49Å
579	R	92.6	Very high	94.8	Very high	178 Å²	178	50.3 Å²	50.3	67%	0.672	22%	0.216	S	C	*	.	H	α-helix	trans	-80.8	-32	177.6	-71.6	-178	75	157.1	4.9	113.5	K575 R576 I577 Q582	K575-R579 WeakPolarHBondContact O-CB 3.19Å; K575-R579 WeakPolarHBondContact O-CD 3.28Å; K575-R579 WeakPolarHBondContact O-CG 3.26Å; K575-R579 PolarHBondContact O-N 3.1Å; R576-R579 PolarHBondContact O-N 3.01Å; I577-R579 VanDerWaalsContact C-N 3.29Å; I577-R579 PolarHBondContact O-N 3.01Å; R579-Q582 PolarHBondContact O-NE2 3.41Å
580	R	94.4	Very high	94.8	Very high	139 Å²	139	50.7 Å²	50.7	53%	0.525	22%	0.219	S	C	.	.	H	α-helix	trans	-104.4	-38.6	-173	-65.3	-64.3	-160	173.5	7.2	113.3	T550 R576 I577 Q582	T550-R580 HydrophobicContact CG2-CB 4.38Å; R576-R580 WeakPolarHBondContact O-CB 3.41Å; R576-R580 PolarHBondContact O-N 3.14Å; I577-R580 PolarHBondContact O-N 3.02Å; R580-Q582 PolarHBondContact O-N 3.01Å; R580-Q582 VanDerWaalsContact O-N 3.08Å
581	L	94.9	Very high	94.7	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.026	23%	0.227	C	C	.	.			trans	-88.7	73.9	-173.3	-53.9	-176.4	0	0	0	111.3	T550 A555 L558 L561 I577 K583 L584	T550-L581 HydrophobicContact CG2-CD1 4.37Å; T550-L581 HydrophobicContact CG2-CD2 4.42Å; T550-L581 HydrophobicContact CG2-CG 4.21Å; A555-L581 HydrophobicContact CB-CD2 3.83Å; A555-L581 VanDerWaalsContact O-CD2 3.24Å; A555-L581 WeakPolarHBondContact O-CD2 3.46Å; L558-L581 HydrophobicContact CD2-CD1 3.92Å; L561-L581 HydrophobicContact CD2-CD1 4.08Å; I577-L581 HydrophobicContact CB-CD1 4.3Å; I577-L581 HydrophobicContact CG1-CD1 4.12Å; I577-L581 HydrophobicContact CG2-CD1 4Å; I577-L581 WeakPolarHBondContact O-CA 3.22Å; I577-L581 VanDerWaalsContact O-CB 3.28Å; I577-L581 WeakPolarHBondContact O-CB 3.13Å; I577-L581 PolarHBondContact O-N 2.89Å; L581-K583 PolarHBondContact O-N 2.72Å; L581-L584 HydrophobicContact CB-CB 3.94Å; L581-L584 HydrophobicContact CB-CD2 4.45Å; L581-L584 HydrophobicContact CD1-CD2 4.22Å; L581-L584 WeakPolarHBondContact O-CB 3.21Å; L581-L584 PolarHBondContact O-N 3.47Å
582	Q	91.2	Very high	94.7	Very high	100 Å²	100	52.1 Å²	52.1	47%	0.467	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-11.5	-172.6	-62.7	-58.8	-38.6	0	0	114.5	T578 R579 R580 S607	T578-Q582 PolarHBondContact O-NE2 2.94Å; R579-Q582 PolarHBondContact O-NE2 3.41Å; R580-Q582 PolarHBondContact O-N 3.01Å; R580-Q582 VanDerWaalsContact O-N 3.08Å; Q582-S607 VanDerWaalsContact O-CB 3.31Å; Q582-S607 WeakPolarHBondContact O-CB 3.41Å; Q582-S607 PolarHBondContact O-OG 3.31Å
583	K	95.1	Very high	94.3	Very high	116 Å²	116	54 Å²	54	50%	0.504	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	16.2	177	-65.5	-162.9	-177	177	0	113.7	N556 L558 Q559 L581 F585	N556-K583 WeakPolarHBondContact O-CD 3.5Å; L558-K583 CarbonylContact O-C 3.56Å; L558-K583 VanDerWaalsContact O-O 3.12Å; Q559-K583 WeakPolarHBondContact CA-O 3.49Å; L581-K583 PolarHBondContact O-N 2.72Å; K583-F585 WeakPolarHBondContact O-CD2 3.1Å; K583-F585 WeakPolarHBondContact O-CE2 3.5Å; K583-F585 PolarHBondContact O-N 3.48Å
584	L	96.7	Very high	94	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	25%	0.253	C	S	.	.			trans	-78.1	112.5	-179.7	-171.2	71.9	0	0	0	110.6	L558 L561 I577 L581 L587 S607 I608	L558-L584 HydrophobicContact CD2-CD1 4.44Å; L558-L584 HydrophobicContact CG-CD1 4.37Å; L558-L584 WeakPolarHBondContact O-CA 3.23Å; L558-L584 PolarHBondContact O-N 2.78Å; L561-L584 HydrophobicContact CB-CD1 3.66Å; L561-L584 HydrophobicContact CB-CD2 4.34Å; I577-L584 HydrophobicContact CG2-CD2 3.56Å; L581-L584 HydrophobicContact CB-CB 3.94Å; L581-L584 HydrophobicContact CB-CD2 4.45Å; L581-L584 HydrophobicContact CD1-CD2 4.22Å; L581-L584 WeakPolarHBondContact O-CB 3.21Å; L581-L584 PolarHBondContact O-N 3.47Å; L584-L587 HydrophobicContact CD2-CB 4.17Å; L584-L587 HydrophobicContact CD2-CD1 4.2Å; L584-S607 PolarHBondContact N-OG 3.11Å; L584-S607 CarbonylContact O-C 3.44Å; L584-S607 PolarHBondContact O-OG 2.93Å; L584-I608 HydrophobicContact CD2-CD1 4.36Å; L584-I608 HydrophobicContact CD2-CG1 4.33Å; L584-I608 HydrophobicContact CG-CG1 4.45Å; L584-I608 VanDerWaalsContact O-CA 3.25Å; L584-I608 WeakPolarHBondContact O-CA 3.38Å; L584-I608 WeakPolarHBondContact O-CG1 3.49Å; L584-I608 PolarHBondContact O-N 2.94Å
585	F	96.2	Very high	93.6	Very high	64 Å²	64	58.9 Å²	58.9	28%	0.281	25%	0.253	S	S	.	.			trans	-97.6	-31.2	-179.8	-59.6	-62.1	0	0	0	112.6	Q559 K583 S607 Q609 S610	Q559-F585 HydrophobicContact CB-CD2 4.01Å; Q559-F585 HydrophobicContact CG-CD2 3.91Å; Q559-F585 HydrophobicContact CG-CE2 3.97Å; Q559-F585 PolarHBondContact O-N 2.92Å; K583-F585 WeakPolarHBondContact O-CD2 3.1Å; K583-F585 WeakPolarHBondContact O-CE2 3.5Å; K583-F585 PolarHBondContact O-N 3.48Å; F585-S607 WeakPolarHBondContact CD1-O 3.49Å; F585-Q609 HydrophobicContact CD1-CG 4.45Å; F585-Q609 PolarHBondContact O-N 3.39Å; F585-S610 PolarHBondContact O-N 3.2Å
586	H	97.9	Very high	93.3	Very high	82 Å²	82	59.8 Å²	59.8	38%	0.38	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	121.1	-177.5	-58.3	-83.8	0	0	0	110.2	Q559 H560 L561 S610	Q559-H586 PolarHBondContact O-N 2.93Å; H560-H586 HydrophobicContact CB-CB 4.3Å; H560-H586 VanDerWaalsContact ND1-CB 3.26Å; H560-H586 WeakPolarHBondContact ND1-CB 3.27Å; H560-H586 AromaticContact ND1-CG 3.8Å; L561-H586 PolarHBondContact N-O 2.88Å; H586-S610 WeakPolarHBondContact CA-O 3.31Å; H586-S610 WeakPolarHBondContact ND1-CB 3.47Å; H586-S610 PolarHBondContact ND1-OG 3.31Å
587	L	97.7	Very high	93.1	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	121.7	175	-180	61.2	0	0	0	109.7	L561 I577 L584 L589 L603 I608 S610 L611 D612	L561-L587 HydrophobicContact CB-CD1 4.27Å; L561-L587 HydrophobicContact CD2-CD1 4.19Å; L561-L587 HydrophobicContact CG-CD1 4.23Å; L561-L587 WeakPolarHBondContact O-CA 3.39Å; I577-L587 HydrophobicContact CG2-CD2 4.39Å; L584-L587 HydrophobicContact CD2-CB 4.17Å; L584-L587 HydrophobicContact CD2-CD1 4.2Å; L587-L589 HydrophobicContact CD1-CD2 3.79Å; L587-L589 HydrophobicContact CD1-CG 4.37Å; L587-L589 HydrophobicContact CD2-CD1 4.05Å; L587-L589 HydrophobicContact CD2-CD2 4.11Å; L587-L589 HydrophobicContact CD2-CG 4.1Å; L587-L589 HydrophobicContact CG-CD1 4.41Å; L587-L589 HydrophobicContact CG-CD2 3.89Å; L587-L589 HydrophobicContact CG-CG 3.92Å; L587-L603 HydrophobicContact CD2-CD2 4.04Å; L587-I608 HydrophobicContact CB-CD1 4.1Å; L587-I608 HydrophobicContact CB-CG1 4.48Å; L587-I608 HydrophobicContact CB-CG2 4.29Å; L587-I608 HydrophobicContact CD2-CD1 3.74Å; L587-S610 PolarHBondContact N-O 3.13Å; L587-L611 HydrophobicContact CB-CD1 4.27Å; L587-L611 HydrophobicContact CD2-CD1 4.18Å; L587-L611 HydrophobicContact CG-CD1 4.3Å; L587-L611 WeakPolarHBondContact O-CA 3.31Å; L587-D612 PolarHBondContact O-N 2.93Å
588	N	97.5	Very high	92.7	Very high	35 Å²	35	61.9 Å²	61.9	19%	0.187	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	116.1	174.2	179.4	7.5	0	0	0	110.4	L561 S562 I563 S590 D612	L561-N588 PolarHBondContact O-N 2.99Å; S562-N588 WeakPolarHBondContact OG-CB 3.15Å; S562-N588 PolarHBondContact OG-ND2 2.62Å; I563-N588 WeakPolarHBondContact CG1-O 3.49Å; I563-N588 PolarHBondContact N-O 3.24Å; N588-S590 VanDerWaalsContact OD1-CB 3.31Å; N588-S590 WeakPolarHBondContact OD1-CB 3.1Å; N588-S590 PolarHBondContact OD1-N 3.24Å; N588-S590 PolarHBondContact OD1-OG 3.49Å; N588-D612 HydrophobicContact CB-CB 4.25Å
589	L	95.7	Very high	92.7	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	27%	0.269	C	S	.	.			trans	-114.8	11.7	179.2	-56.1	-178.7	0	0	0	112.3	I563 I574 L587 Y591 C592 V595 L611 D612 L613 C616	I563-L589 HydrophobicContact CD1-CD2 3.49Å; I563-L589 VanDerWaalsContact CD1-CD2 3.49Å; I563-L589 HydrophobicContact CG1-CD2 3.54Å; I574-L589 HydrophobicContact CD1-CD1 3.57Å; I574-L589 HydrophobicContact CD1-CD2 3.44Å; I574-L589 VanDerWaalsContact CD1-CD2 3.44Å; I574-L589 HydrophobicContact CD1-CG 4.16Å; I574-L589 HydrophobicContact CG1-CD1 4.2Å; L587-L589 HydrophobicContact CD1-CD2 3.79Å; L587-L589 HydrophobicContact CD1-CG 4.37Å; L587-L589 HydrophobicContact CD2-CD1 4.05Å; L587-L589 HydrophobicContact CD2-CD2 4.11Å; L587-L589 HydrophobicContact CD2-CG 4.1Å; L587-L589 HydrophobicContact CG-CD1 4.41Å; L587-L589 HydrophobicContact CG-CD2 3.89Å; L587-L589 HydrophobicContact CG-CG 3.92Å; L589-Y591 PolarHBondContact O-N 2.99Å; L589-C592 VanDerWaalsContact O-CB 3.23Å; L589-C592 WeakPolarHBondContact O-CB 3.41Å; L589-C592 PolarHBondContact O-N 2.82Å; L589-C592 VanDerWaalsContact O-N 3.08Å; L589-C592 PolarHBondContact O-SG 2.82Å; L589-V595 HydrophobicContact CD1-CG1 4.42Å; L589-L611 HydrophobicContact CD1-CD1 4.36Å; L589-D612 WeakPolarHBondContact CA-O 3.47Å; L589-D612 WeakPolarHBondContact CB-O 3.24Å; L589-D612 PolarHBondContact N-O 3.49Å; L589-L613 HydrophobicContact CB-CD2 4.3Å; L589-L613 HydrophobicContact CD1-CD2 4.01Å; L589-C616 PolarHBondContact O-SG 3.22Å
590	S	94.1	Very high	92.7	Very high	9 Å²	9	52.7 Å²	52.7	6%	0.063	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	136.2	-173.1	50.4	0	0	0	0	112.3	S564 Q565 N588 C592 T614	S564-S590 CarbonylContact C-O 3.56Å; S564-S590 VanDerWaalsContact CA-O 3.24Å; S564-S590 WeakPolarHBondContact CA-O 3.47Å; S564-S590 WeakPolarHBondContact CB-OG 3.46Å; S564-S590 PolarHBondContact OG-O 2.67Å; S564-S590 PolarHBondContact OG-OG 3.25Å; Q565-S590 PolarHBondContact N-O 3.35Å; N588-S590 VanDerWaalsContact OD1-CB 3.31Å; N588-S590 WeakPolarHBondContact OD1-CB 3.1Å; N588-S590 PolarHBondContact OD1-N 3.24Å; N588-S590 PolarHBondContact OD1-OG 3.49Å; S590-C592 PolarHBondContact O-N 3.25Å; S590-C592 VanDerWaalsContact O-N 3.13Å; S590-T614 CarbonylContact C-O 3.53Å; S590-T614 VanDerWaalsContact CA-O 3.23Å; S590-T614 WeakPolarHBondContact CA-O 3.47Å
591	Y	90.9	Very high	92.6	Very high	79 Å²	79	50 Å²	50	31%	0.31	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	24.6	-178.7	-53.2	-85.2	0	0	0	114.2	Q565 L589 E593 T614 K638	Q565-Y591 VanDerWaalsContact CG-CB 3.46Å; Q565-Y591 HydrophobicContact CG-CD2 4.02Å; Q565-Y591 HydrophobicContact CG-CG 4.05Å; L589-Y591 PolarHBondContact O-N 2.99Å; Y591-E593 PolarHBondContact O-N 3.32Å; Y591-E593 VanDerWaalsContact O-N 3.14Å; Y591-T614 HydrophobicContact CE2-CG2 3.93Å; Y591-T614 PolarHBondContact N-O 3Å; Y591-K638 HydrophobicContact CE1-CD 4.03Å; Y591-K638 VanDerWaalsContact OH-CD 3.22Å; Y591-K638 WeakPolarHBondContact OH-CD 3.15Å; Y591-K638 WeakPolarHBondContact OH-CE 3.23Å; Y591-K638 PolarHBondContact OH-NZ 3.03Å
592	C	91	Very high	92.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.246	C	C	.	.			trans	-79.6	87.9	165	-66.3	0	0	0	0	109.3	I563 L589 S590 K594 V595	I563-C592 PolarHBondContact O-SG 2.95Å; L589-C592 VanDerWaalsContact O-CB 3.23Å; L589-C592 WeakPolarHBondContact O-CB 3.41Å; L589-C592 PolarHBondContact O-N 2.82Å; L589-C592 VanDerWaalsContact O-N 3.08Å; L589-C592 PolarHBondContact O-SG 2.82Å; S590-C592 PolarHBondContact O-N 3.25Å; S590-C592 VanDerWaalsContact O-N 3.13Å; C592-K594 PolarHBondContact O-N 2.92Å; C592-V595 HydrophobicContact CB-CB 4.24Å; C592-V595 HydrophobicContact CB-CG2 3.54Å; C592-V595 WeakPolarHBondContact O-CB 3.42Å; C592-V595 PolarHBondContact O-N 2.92Å
593	E	85.6	Confident	92.6	Very high	149 Å²	149	48.4 Å²	48.4	70%	0.696	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-28.4	-171.1	-62	-177.1	169.8	0	0	114.4	Y591 V595	Y591-E593 PolarHBondContact O-N 3.32Å; Y591-E593 VanDerWaalsContact O-N 3.14Å; E593-V595 VanDerWaalsContact C-N 3.29Å; E593-V595 PolarHBondContact O-N 2.76Å
594	K	87.8	Confident	92.4	Very high	102 Å²	102	45.3 Å²	45.3	44%	0.443	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-3.8	178.9	-64.1	-177.5	-177.4	159.4	0	113.5	G567 I569 T570 C592 M596	G567-K594 VanDerWaalsContact O-CD 3.31Å; G567-K594 WeakPolarHBondContact O-CD 3.41Å; G567-K594 WeakPolarHBondContact O-CE 3.44Å; G567-K594 PolarHBondContact O-NZ 3.04Å; I569-K594 WeakPolarHBondContact O-CB 3.3Å; T570-K594 HydrophobicContact CG2-CB 4.29Å; T570-K594 HydrophobicContact CG2-CD 4.29Å; C592-K594 PolarHBondContact O-N 2.92Å; K594-M596 PolarHBondContact O-N 2.97Å
595	V	87.6	Confident	91.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.241	C	C	.	.			trans	-81.6	108.1	174.6	178.1	0	0	0	0	108.8	L589 C592 E593 A599	L589-V595 HydrophobicContact CD1-CG1 4.42Å; C592-V595 HydrophobicContact CB-CB 4.24Å; C592-V595 HydrophobicContact CB-CG2 3.54Å; C592-V595 WeakPolarHBondContact O-CB 3.42Å; C592-V595 PolarHBondContact O-N 2.92Å; E593-V595 VanDerWaalsContact C-N 3.29Å; E593-V595 PolarHBondContact O-N 2.76Å; V595-A599 HydrophobicContact CG1-CB 3.54Å
596	M	87.4	Confident	91.7	Very high	86 Å²	86	46 Å²	46	42%	0.424	24%	0.235	S	C	.	.			trans	-102.2	175	179.5	-63.3	-177.7	-79.6	0	0	112	K594 Q598 A599	K594-M596 PolarHBondContact O-N 2.97Å; M596-Q598 PolarHBondContact O-N 3.13Å; M596-A599 WeakPolarHBondContact O-CB 3.45Å; M596-A599 PolarHBondContact O-N 3.41Å
597	D	90.9	Very high	91.5	Very high	23 Å²	23	43.7 Å²	43.7	12%	0.123	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-37.7	-178.7	-70	-8.7	0	0	0	114.6	A599 L600 I618 R619 G622	D597-A599 PolarHBondContact O-N 2.88Å; D597-A599 VanDerWaalsContact O-N 3.12Å; D597-L600 WeakPolarHBondContact O-CB 3.24Å; D597-L600 PolarHBondContact O-N 3.14Å; D597-I618 WeakPolarHBondContact OD1-CA 3.4Å; D597-R619 PolarHBondContact OD1-N 3.27Å; D597-R619 WeakPolarHBondContact OD2-CB 3.27Å; D597-G622 PolarHBondContact OD2-N 3.12Å
598	Q	88.9	Confident	91.4	Very high	112 Å²	112	43.6 Å²	43.6	52%	0.523	23%	0.227	S	C	.	.	H	α-helix	trans	-58.7	-25.8	178.1	-66.3	-176.3	15.7	0	0	113.2	M596 L600 D601 Y602	M596-Q598 PolarHBondContact O-N 3.13Å; Q598-L600 VanDerWaalsContact C-N 3.28Å; Q598-L600 PolarHBondContact O-N 2.86Å; Q598-D601 PolarHBondContact O-N 2.95Å; Q598-Y602 WeakPolarHBondContact O-CD2 3.29Å; Q598-Y602 VanDerWaalsContact O-CE2 3.32Å; Q598-Y602 WeakPolarHBondContact O-CE2 3.35Å
599	A	91.8	Very high	91.2	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-63.7	-35.7	176.2	0	0	0	0	0	112.1	E571 I574 V595 M596 D597 D601 Y602	E571-A599 HydrophobicContact CB-CB 3.82Å; I574-A599 HydrophobicContact CB-CB 4.25Å; I574-A599 HydrophobicContact CG1-CB 4.06Å; I574-A599 HydrophobicContact CG2-CB 4.38Å; V595-A599 HydrophobicContact CG1-CB 3.54Å; M596-A599 WeakPolarHBondContact O-CB 3.45Å; M596-A599 PolarHBondContact O-N 3.41Å; D597-A599 PolarHBondContact O-N 2.88Å; D597-A599 VanDerWaalsContact O-N 3.12Å; A599-D601 VanDerWaalsContact C-N 3.34Å; A599-Y602 PolarHBondContact O-N 2.93Å
600	L	93.3	Very high	91.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-71.6	-30	-176.8	-60.4	-173.4	0	0	0	112.1	D597 Q598 Y602 L603 L613 I618 G622 L623 L626	D597-L600 WeakPolarHBondContact O-CB 3.24Å; D597-L600 PolarHBondContact O-N 3.14Å; Q598-L600 VanDerWaalsContact C-N 3.28Å; Q598-L600 PolarHBondContact O-N 2.86Å; L600-Y602 PolarHBondContact O-N 3.32Å; L600-L603 HydrophobicContact CD2-CD1 3.46Å; L600-L603 VanDerWaalsContact CD2-CD1 3.46Å; L600-L603 WeakPolarHBondContact O-CB 2.97Å; L600-L603 PolarHBondContact O-N 2.82Å; L600-L613 HydrophobicContact CD1-CD1 4.21Å; L600-L613 HydrophobicContact CD2-CD1 3.83Å; L600-L613 HydrophobicContact CD2-CD2 4Å; L600-I618 HydrophobicContact CD1-CD1 3.95Å; L600-I618 HydrophobicContact CD1-CG1 4.24Å; L600-I618 HydrophobicContact CD1-CG2 3.55Å; L600-I618 HydrophobicContact CG-CD1 4.07Å; L600-G622 VanDerWaalsContact CD1-C 3.43Å; L600-G622 WeakPolarHBondContact CD1-O 3.41Å; L600-L623 HydrophobicContact CD1-CD2 4.25Å; L600-L626 HydrophobicContact CB-CD2 3.93Å; L600-L626 HydrophobicContact CB-CG 4.24Å; L600-L626 HydrophobicContact CD1-CD1 4.36Å; L600-L626 WeakPolarHBondContact O-CD2 3.39Å
601	D	92	Very high	91.5	Very high	83 Å²	83	45.9 Å²	45.9	44%	0.444	24%	0.237	S	C	.	.	H	α-helix	trans	-56.4	-38.5	174.2	-67.2	-2.4	0	0	0	111.6	Q598 A599 L603 N604 S625	Q598-D601 PolarHBondContact O-N 2.95Å; A599-D601 VanDerWaalsContact C-N 3.34Å; D601-L603 VanDerWaalsContact C-N 3.3Å; D601-L603 PolarHBondContact O-N 2.79Å; D601-N604 WeakPolarHBondContact O-CB 3.26Å; D601-N604 PolarHBondContact O-N 2.78Å; D601-N604 PolarHBondContact O-ND2 2.75Å; D601-S625 PolarHBondContact N-OG 2.63Å; D601-S625 WeakPolarHBondContact OD1-CB 3.18Å; D601-S625 PolarHBondContact OD1-OG 2.79Å
602	Y	93.2	Very high	91.7	Very high	72 Å²	72	43.5 Å²	43.5	28%	0.282	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-15.7	-179	-59.5	-59.8	0	0	0	114.2	K575 T578 Q598 A599 L600 N604	K575-Y602 HydrophobicContact CB-CD1 4.15Å; K575-Y602 HydrophobicContact CB-CD2 3.83Å; K575-Y602 HydrophobicContact CB-CE1 4.34Å; K575-Y602 HydrophobicContact CB-CE2 4.06Å; K575-Y602 HydrophobicContact CB-CG 3.89Å; K575-Y602 HydrophobicContact CD-CD1 4.22Å; K575-Y602 HydrophobicContact CD-CE1 3.7Å; K575-Y602 HydrophobicContact CD-CE2 4.26Å; K575-Y602 HydrophobicContact CG-CD1 3.84Å; K575-Y602 HydrophobicContact CG-CD2 4.39Å; K575-Y602 HydrophobicContact CG-CE1 3.86Å; K575-Y602 HydrophobicContact CG-CE2 4.42Å; K575-Y602 HydrophobicContact CG-CG 4.12Å; T578-Y602 WeakPolarHBondContact CB-O 3.15Å; T578-Y602 WeakPolarHBondContact CG2-O 3.22Å; T578-Y602 PolarHBondContact OG1-O 2.93Å; Q598-Y602 WeakPolarHBondContact O-CD2 3.29Å; Q598-Y602 VanDerWaalsContact O-CE2 3.32Å; Q598-Y602 WeakPolarHBondContact O-CE2 3.35Å; A599-Y602 PolarHBondContact O-N 2.93Å; L600-Y602 PolarHBondContact O-N 3.32Å; Y602-N604 VanDerWaalsContact C-N 3.27Å
603	L	92.7	Very high	92	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-17.1	178.5	-65.2	170.4	0	0	0	112.2	I574 T578 L587 L600 D601 G605 S606 I608 L611 L626 I629	I574-L603 HydrophobicContact CG2-CD2 3.88Å; I574-L603 HydrophobicContact CG2-CG 4.15Å; T578-L603 HydrophobicContact CG2-CD2 3.59Å; T578-L603 HydrophobicContact CG2-CG 4.34Å; L587-L603 HydrophobicContact CD2-CD2 4.04Å; L600-L603 HydrophobicContact CD2-CD1 3.46Å; L600-L603 VanDerWaalsContact CD2-CD1 3.46Å; L600-L603 WeakPolarHBondContact O-CB 2.97Å; L600-L603 PolarHBondContact O-N 2.82Å; D601-L603 VanDerWaalsContact C-N 3.3Å; D601-L603 PolarHBondContact O-N 2.79Å; L603-G605 PolarHBondContact O-N 2.94Å; L603-S606 VanDerWaalsContact O-CB 3.26Å; L603-S606 WeakPolarHBondContact O-CB 3.43Å; L603-S606 PolarHBondContact O-N 3.13Å; L603-S606 VanDerWaalsContact O-N 3.1Å; L603-S606 PolarHBondContact O-OG 2.81Å; L603-I608 HydrophobicContact CD2-CD1 3.54Å; L603-L611 HydrophobicContact CD1-CD1 4.24Å; L603-L611 HydrophobicContact CD1-CD2 3.69Å; L603-L626 HydrophobicContact CB-CD2 4.02Å; L603-L626 HydrophobicContact CD1-CD2 4.12Å; L603-I629 HydrophobicContact CB-CD1 4.04Å
604	N	90.8	Very high	92.4	Very high	51 Å²	51	37.2 Å²	37.2	27%	0.273	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	126.3	178.7	-77.1	-58.1	0	0	0	112.3	D601 Y602 S606 S625 K627 K628	D601-N604 WeakPolarHBondContact O-CB 3.26Å; D601-N604 PolarHBondContact O-N 2.78Å; D601-N604 PolarHBondContact O-ND2 2.75Å; Y602-N604 VanDerWaalsContact C-N 3.27Å; N604-S606 VanDerWaalsContact C-N 3.3Å; N604-S625 PolarHBondContact ND2-O 3.18Å; N604-S625 PolarHBondContact OD1-O 3.11Å; N604-K627 PolarHBondContact OD1-N 3.46Å; N604-K628 HydrophobicContact CB-CB 4.24Å; N604-K628 PolarHBondContact OD1-N 3.07Å
605	G	86.9	Confident	92.5	Very high	59 Å²	59	33.4 Å²	33.4	61%	0.608	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	79	7.5	-178.3	0	0	0	0	0	114.9	L603 K628	L603-G605 PolarHBondContact O-N 2.94Å; G605-K628 PolarHBondContact N-O 3.21Å
606	S	91.6	Very high	92.6	Very high	21 Å²	21	33.6 Å²	33.6	15%	0.147	19%	0.192	C	C	.	.			trans	-76.2	165.9	169.8	69.8	0	0	0	0	112.2	L603 N604 I608	L603-S606 VanDerWaalsContact O-CB 3.26Å; L603-S606 WeakPolarHBondContact O-CB 3.43Å; L603-S606 PolarHBondContact O-N 3.13Å; L603-S606 VanDerWaalsContact O-N 3.1Å; L603-S606 PolarHBondContact O-OG 2.81Å; N604-S606 VanDerWaalsContact C-N 3.3Å; S606-I608 VanDerWaalsContact C-N 3.27Å
607	S	93.3	Very high	92.7	Very high	32 Å²	32	32.1 Å²	32.1	22%	0.224	19%	0.186	C	C	.	.			trans	-85.6	5.1	175.3	49.2	0	0	0	0	114.1	Q582 L584 F585 Q609	Q582-S607 VanDerWaalsContact O-CB 3.31Å; Q582-S607 WeakPolarHBondContact O-CB 3.41Å; Q582-S607 PolarHBondContact O-OG 3.31Å; L584-S607 PolarHBondContact N-OG 3.11Å; L584-S607 CarbonylContact O-C 3.44Å; L584-S607 PolarHBondContact O-OG 2.93Å; F585-S607 WeakPolarHBondContact CD1-O 3.49Å; S607-Q609 PolarHBondContact O-N 3.22Å
608	I	95.5	Very high	92.7	Very high	2 Å²	2	31 Å²	31	1%	0.01	18%	0.18	C	C	.	.			trans	-66.3	128.9	-177.1	-61.7	165.7	0	0	0	109.1	T578 L584 L587 L603 S606 L611 I629 L631	T578-I608 HydrophobicContact CG2-CD1 4.49Å; L584-I608 HydrophobicContact CD2-CD1 4.36Å; L584-I608 HydrophobicContact CD2-CG1 4.33Å; L584-I608 HydrophobicContact CG-CG1 4.45Å; L584-I608 VanDerWaalsContact O-CA 3.25Å; L584-I608 WeakPolarHBondContact O-CA 3.38Å; L584-I608 WeakPolarHBondContact O-CG1 3.49Å; L584-I608 PolarHBondContact O-N 2.94Å; L587-I608 HydrophobicContact CB-CD1 4.1Å; L587-I608 HydrophobicContact CB-CG1 4.48Å; L587-I608 HydrophobicContact CB-CG2 4.29Å; L587-I608 HydrophobicContact CD2-CD1 3.74Å; L603-I608 HydrophobicContact CD2-CD1 3.54Å; S606-I608 VanDerWaalsContact C-N 3.27Å; I608-L611 HydrophobicContact CG2-CB 4.34Å; I608-I629 HydrophobicContact CB-CD1 4.24Å; I608-L631 HydrophobicContact CG2-CD2 4Å
609	Q	95.1	Very high	93	Very high	77 Å²	77	31.1 Å²	31.1	36%	0.36	18%	0.176	S	C	.	.			trans	-114.3	-22.8	177.6	-65.5	179.8	19.6	0	0	112.1	F585 S607 K632 K633	F585-Q609 HydrophobicContact CD1-CG 4.45Å; F585-Q609 PolarHBondContact O-N 3.39Å; S607-Q609 PolarHBondContact O-N 3.22Å; Q609-K632 PolarHBondContact O-N 3.09Å; Q609-K633 PolarHBondContact O-N 2.79Å
610	S	97.4	Very high	93.1	Very high	15 Å²	15	32.5 Å²	32.5	11%	0.105	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	115.8	178.9	174.8	0	0	0	0	109.2	F585 H586 L587 K633	F585-S610 PolarHBondContact O-N 3.2Å; H586-S610 WeakPolarHBondContact CA-O 3.31Å; H586-S610 WeakPolarHBondContact ND1-CB 3.47Å; H586-S610 PolarHBondContact ND1-OG 3.31Å; L587-S610 PolarHBondContact N-O 3.13Å; S610-K633 WeakPolarHBondContact CA-O 3.36Å
611	L	96.9	Very high	93.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.8	-179.6	-178.1	65.1	0	0	0	110.3	L587 L589 L603 I608 L613 L631 K633 I634 I635	L587-L611 HydrophobicContact CB-CD1 4.27Å; L587-L611 HydrophobicContact CD2-CD1 4.18Å; L587-L611 HydrophobicContact CG-CD1 4.3Å; L587-L611 WeakPolarHBondContact O-CA 3.31Å; L589-L611 HydrophobicContact CD1-CD1 4.36Å; L603-L611 HydrophobicContact CD1-CD1 4.24Å; L603-L611 HydrophobicContact CD1-CD2 3.69Å; I608-L611 HydrophobicContact CG2-CB 4.34Å; L611-L613 HydrophobicContact CD1-CD2 4.06Å; L611-L613 HydrophobicContact CD1-CG 4.47Å; L611-L613 HydrophobicContact CD2-CD1 3.87Å; L611-L613 HydrophobicContact CD2-CD2 4.14Å; L611-L613 HydrophobicContact CD2-CG 4Å; L611-L613 HydrophobicContact CG-CD1 4.34Å; L611-L613 HydrophobicContact CG-CD2 4.04Å; L611-L613 HydrophobicContact CG-CG 3.91Å; L611-L631 HydrophobicContact CB-CD1 4.18Å; L611-L631 HydrophobicContact CB-CD2 3.89Å; L611-L631 HydrophobicContact CD2-CD1 4.19Å; L611-K633 PolarHBondContact N-O 3.21Å; L611-I634 CarbonylContact O-C 3.56Å; L611-I634 WeakPolarHBondContact O-CA 3.32Å; L611-I635 PolarHBondContact O-N 3.37Å
612	D	97.1	Very high	93.1	Very high	29 Å²	29	35.9 Å²	35.9	16%	0.155	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	119.2	172.5	-167.3	-22.6	0	0	0	110.1	L587 N588 L589 T614 I635	L587-D612 PolarHBondContact O-N 2.93Å; N588-D612 HydrophobicContact CB-CB 4.25Å; L589-D612 WeakPolarHBondContact CA-O 3.47Å; L589-D612 WeakPolarHBondContact CB-O 3.24Å; L589-D612 PolarHBondContact N-O 3.49Å; D612-T614 VanDerWaalsContact OD1-CB 3.28Å; D612-T614 WeakPolarHBondContact OD1-CB 3.44Å; D612-T614 PolarHBondContact OD1-N 3.48Å; D612-T614 PolarHBondContact OD1-OG1 3.47Å; D612-I635 HydrophobicContact CB-CB 4.31Å; D612-I635 HydrophobicContact CB-CD1 4.28Å; D612-I635 WeakPolarHBondContact OD2-CD1 3.41Å
613	L	95.6	Very high	93.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.183	C	C	.	.			trans	-117.5	17.7	-180	-59.3	174.6	0	0	0	111.6	L589 L600 L611 G615 C616 L623 I635 V636 C639	L589-L613 HydrophobicContact CB-CD2 4.3Å; L589-L613 HydrophobicContact CD1-CD2 4.01Å; L600-L613 HydrophobicContact CD1-CD1 4.21Å; L600-L613 HydrophobicContact CD2-CD1 3.83Å; L600-L613 HydrophobicContact CD2-CD2 4Å; L611-L613 HydrophobicContact CD1-CD2 4.06Å; L611-L613 HydrophobicContact CD1-CG 4.47Å; L611-L613 HydrophobicContact CD2-CD1 3.87Å; L611-L613 HydrophobicContact CD2-CD2 4.14Å; L611-L613 HydrophobicContact CD2-CG 4Å; L611-L613 HydrophobicContact CG-CD1 4.34Å; L611-L613 HydrophobicContact CG-CD2 4.04Å; L611-L613 HydrophobicContact CG-CG 3.91Å; L613-G615 PolarHBondContact O-N 3Å; L613-C616 HydrophobicContact CB-CB 4.49Å; L613-C616 VanDerWaalsContact O-CB 3.29Å; L613-C616 WeakPolarHBondContact O-CB 3.36Å; L613-C616 PolarHBondContact O-N 2.72Å; L613-C616 PolarHBondContact O-SG 3.16Å; L613-L623 HydrophobicContact CD1-CD2 4.45Å; L613-I635 PolarHBondContact N-O 2.78Å; L613-V636 HydrophobicContact CD1-CG1 4.37Å; L613-C639 PolarHBondContact O-SG 2.93Å
614	T	94.8	Very high	93	Very high	16 Å²	16	33.1 Å²	33.1	10%	0.098	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	126.1	-173.2	-60.7	0	0	0	0	111.3	S590 Y591 D612 C616 I635 A637 K638	S590-T614 CarbonylContact C-O 3.53Å; S590-T614 VanDerWaalsContact CA-O 3.23Å; S590-T614 WeakPolarHBondContact CA-O 3.47Å; Y591-T614 HydrophobicContact CE2-CG2 3.93Å; Y591-T614 PolarHBondContact N-O 3Å; D612-T614 VanDerWaalsContact OD1-CB 3.28Å; D612-T614 WeakPolarHBondContact OD1-CB 3.44Å; D612-T614 PolarHBondContact OD1-N 3.48Å; D612-T614 PolarHBondContact OD1-OG1 3.47Å; T614-C616 PolarHBondContact O-N 3.26Å; T614-C616 VanDerWaalsContact O-N 3.15Å; T614-I635 WeakPolarHBondContact OG1-CG2 3.2Å; T614-A637 CarbonylContact C-O 3.6Å; T614-A637 WeakPolarHBondContact CA-O 3.33Å; T614-A637 HydrophobicContact CG2-CB 4.07Å; T614-A637 WeakPolarHBondContact CG2-O 3.1Å; T614-K638 HydrophobicContact CG2-CB 4.41Å; T614-K638 HydrophobicContact CG2-CD 4.29Å
615	G	89.3	Confident	93	Very high	22 Å²	22	31.6 Å²	31.6	23%	0.227	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	9.1	176.8	0	0	0	0	0	115.6	L613 A637	L613-G615 PolarHBondContact O-N 3Å; G615-A637 PolarHBondContact N-O 3.14Å
616	C	91.1	Very high	93.2	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.027	15%	0.154	C	C	.	.			trans	-72.7	154.8	170.2	-66.6	0	0	0	0	111.4	L589 L613 T614 I618	L589-C616 PolarHBondContact O-SG 3.22Å; L613-C616 HydrophobicContact CB-CB 4.49Å; L613-C616 VanDerWaalsContact O-CB 3.29Å; L613-C616 WeakPolarHBondContact O-CB 3.36Å; L613-C616 PolarHBondContact O-N 2.72Å; L613-C616 PolarHBondContact O-SG 3.16Å; T614-C616 PolarHBondContact O-N 3.26Å; T614-C616 VanDerWaalsContact O-N 3.15Å; C616-I618 HydrophobicContact CB-CG1 3.83Å; C616-I618 PolarHBondContact O-N 3.01Å
617	N	88.5	Confident	92.9	Very high	55 Å²	55	34.1 Å²	34.1	29%	0.294	18%	0.175	S	C	.	.			trans	-82.8	51.4	179.5	-165.7	13.3	0	0	0	112.5	F641	N617-F641 WeakPolarHBondContact OD1-CD2 3.42Å; N617-F641 WeakPolarHBondContact OD1-CE2 3.16Å
618	I	91.9	Very high	92.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.199	C	C	.	.			trans	-91.9	141.4	-179.4	-58.9	-58.2	0	0	0	110.3	D597 L600 C616 L623	D597-I618 WeakPolarHBondContact OD1-CA 3.4Å; L600-I618 HydrophobicContact CD1-CD1 3.95Å; L600-I618 HydrophobicContact CD1-CG1 4.24Å; L600-I618 HydrophobicContact CD1-CG2 3.55Å; L600-I618 HydrophobicContact CG-CD1 4.07Å; C616-I618 HydrophobicContact CB-CG1 3.83Å; C616-I618 PolarHBondContact O-N 3.01Å; I618-L623 HydrophobicContact CG2-CD2 4.08Å; I618-L623 HydrophobicContact CG2-CG 4.07Å
619	R	94.2	Very high	92.2	Very high	115 Å²	115	40.8 Å²	40.8	43%	0.434	20%	0.2	S	C	.	.			trans	-116.1	176	174.6	-53.1	-172.9	171.6	81.3	3	111.5	D597 Q621 G622 L623 F641	D597-R619 PolarHBondContact OD1-N 3.27Å; D597-R619 WeakPolarHBondContact OD2-CB 3.27Å; R619-Q621 PolarHBondContact O-N 3.24Å; R619-Q621 VanDerWaalsContact O-N 3.12Å; R619-G622 PolarHBondContact O-N 3.09Å; R619-L623 PolarHBondContact O-N 3.06Å; R619-F641 HydrophobicContact CG-CB 3.88Å
620	D	94.4	Very high	91.9	Very high	29 Å²	29	44.6 Å²	44.6	16%	0.155	22%	0.217	C	C	.	.	H	α-helix	trans	-55.9	-30.3	179.1	-61.8	-20.4	0	0	0	114.1	G624 V642 T643 G646	D620-G624 PolarHBondContact O-N 2.99Å; D620-V642 WeakPolarHBondContact OD1-CA 3.32Å; D620-T643 PolarHBondContact OD1-N 2.84Å; D620-T643 WeakPolarHBondContact OD2-CB 3.21Å; D620-T643 PolarHBondContact OD2-OG1 3.25Å; D620-G646 VanDerWaalsContact OD1-CA 3.28Å; D620-G646 WeakPolarHBondContact OD1-CA 3.32Å; D620-G646 PolarHBondContact OD1-N 3.45Å
621	Q	92.1	Very high	91.7	Very high	154 Å²	154	44 Å²	44	72%	0.72	21%	0.213	S	C	*	.	H	α-helix	trans	-66.3	-43.5	176.9	-177.9	172.9	-1.1	0	0	111.4	R619 G624 S625	R619-Q621 PolarHBondContact O-N 3.24Å; R619-Q621 VanDerWaalsContact O-N 3.12Å; Q621-G624 PolarHBondContact O-N 3.31Å; Q621-S625 PolarHBondContact O-N 3.33Å
622	G	91.9	Very high	91.6	Very high	1 Å²	1	48 Å²	48	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-45.7	176.1	0	0	0	0	0	112.4	D597 L600 R619 G624 S625	D597-G622 PolarHBondContact OD2-N 3.12Å; L600-G622 VanDerWaalsContact CD1-C 3.43Å; L600-G622 WeakPolarHBondContact CD1-O 3.41Å; R619-G622 PolarHBondContact O-N 3.09Å; G622-G624 VanDerWaalsContact C-N 3.31Å; G622-G624 PolarHBondContact O-N 3.23Å; G622-S625 PolarHBondContact O-N 3.37Å; G622-S625 VanDerWaalsContact O-N 3.16Å; G622-S625 PolarHBondContact O-OG 3.1Å
623	L	93.1	Very high	91.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.1	-39.2	176	-66.9	-175.1	0	0	0	112.2	L600 L613 I618 R619 S625 L626 V636 V642 I647 L650	L600-L623 HydrophobicContact CD1-CD2 4.25Å; L613-L623 HydrophobicContact CD1-CD2 4.45Å; I618-L623 HydrophobicContact CG2-CD2 4.08Å; I618-L623 HydrophobicContact CG2-CG 4.07Å; R619-L623 PolarHBondContact O-N 3.06Å; L623-S625 PolarHBondContact O-N 3.41Å; L623-L626 HydrophobicContact CD2-CD1 4.45Å; L623-L626 PolarHBondContact O-N 3.37Å; L623-V636 HydrophobicContact CD2-CG1 4.04Å; L623-V642 HydrophobicContact CD1-CB 4.28Å; L623-V642 HydrophobicContact CD1-CG1 3.46Å; L623-V642 VanDerWaalsContact CD1-CG1 3.46Å; L623-V642 HydrophobicContact CD1-CG2 3.74Å; L623-V642 HydrophobicContact CG-CG2 4.41Å; L623-I647 HydrophobicContact CD1-CD1 4.31Å; L623-L650 HydrophobicContact CB-CB 4.45Å; L623-L650 HydrophobicContact CD2-CD1 4.35Å
624	G	90.8	Very high	91.6	Very high	13 Å²	13	50.3 Å²	50.3	13%	0.134	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-9.8	177.3	0	0	0	0	0	115	D620 Q621 G622 K627	D620-G624 PolarHBondContact O-N 2.99Å; Q621-G624 PolarHBondContact O-N 3.31Å; G622-G624 VanDerWaalsContact C-N 3.31Å; G622-G624 PolarHBondContact O-N 3.23Å; G624-K627 WeakPolarHBondContact O-CE 3.38Å
625	S	91.3	Very high	91.7	Very high	19 Å²	19	50.4 Å²	50.4	13%	0.133	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-14.8	176.1	85.4	0	0	0	0	113.8	D601 N604 Q621 G622 L623 K627	D601-S625 PolarHBondContact N-OG 2.63Å; D601-S625 WeakPolarHBondContact OD1-CB 3.18Å; D601-S625 PolarHBondContact OD1-OG 2.79Å; N604-S625 PolarHBondContact ND2-O 3.18Å; N604-S625 PolarHBondContact OD1-O 3.11Å; Q621-S625 PolarHBondContact O-N 3.33Å; G622-S625 PolarHBondContact O-N 3.37Å; G622-S625 VanDerWaalsContact O-N 3.16Å; G622-S625 PolarHBondContact O-OG 3.1Å; L623-S625 PolarHBondContact O-N 3.41Å; S625-K627 PolarHBondContact O-N 2.99Å
626	L	91	Very high	92	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	23%	0.228	C	C	.	.			trans	-75.3	65.3	178.7	-64.2	176.2	0	0	0	112.5	L600 L603 L623 I629 I634 L650 M654	L600-L626 HydrophobicContact CB-CD2 3.93Å; L600-L626 HydrophobicContact CB-CG 4.24Å; L600-L626 HydrophobicContact CD1-CD1 4.36Å; L600-L626 WeakPolarHBondContact O-CD2 3.39Å; L603-L626 HydrophobicContact CB-CD2 4.02Å; L603-L626 HydrophobicContact CD1-CD2 4.12Å; L623-L626 HydrophobicContact CD2-CD1 4.45Å; L623-L626 PolarHBondContact O-N 3.37Å; L626-I629 HydrophobicContact CB-CG2 3.96Å; L626-I629 HydrophobicContact CD2-CG2 4.18Å; L626-I634 HydrophobicContact CD1-CD1 4.34Å; L626-L650 HydrophobicContact CB-CD1 4.35Å; L626-L650 HydrophobicContact CD1-CD1 3.82Å; L626-M654 HydrophobicContact CB-CE 3.57Å; L626-M654 HydrophobicContact CD1-CE 4.15Å; L626-M654 HydrophobicContact CG-CE 4.49Å
627	K	85.9	Confident	92.1	Very high	133 Å²	133	49.7 Å²	49.7	58%	0.578	23%	0.231	S	C	*	.			trans	-93.1	-27.7	-173.2	-61.4	-175	-178.4	-175.7	0	114.8	N604 G624 S625	N604-K627 PolarHBondContact OD1-N 3.46Å; G624-K627 WeakPolarHBondContact O-CE 3.38Å; S625-K627 PolarHBondContact O-N 2.99Å
628	K	85.1	Confident	92.3	Very high	169 Å²	169	50.8 Å²	50.8	74%	0.735	23%	0.233	S	C	*	.	S	Bend	trans	-118.1	11.9	-171.6	-66.2	-177.1	179.8	175.7	0	113.6	N604 G605	N604-K628 HydrophobicContact CB-CB 4.24Å; N604-K628 PolarHBondContact OD1-N 3.07Å; G605-K628 PolarHBondContact N-O 3.21Å
629	I	89.8	Confident	92.3	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.026	23%	0.233	C	C	.	.			trans	-95.9	143.9	176.7	-167.4	170.8	0	0	0	109.9	L603 I608 L626 L631 M654	L603-I629 HydrophobicContact CB-CD1 4.04Å; I608-I629 HydrophobicContact CB-CD1 4.24Å; L626-I629 HydrophobicContact CB-CG2 3.96Å; L626-I629 HydrophobicContact CD2-CG2 4.18Å; I629-L631 HydrophobicContact CD1-CD1 4.3Å; I629-L631 HydrophobicContact CD1-CD2 3.68Å; I629-L631 HydrophobicContact CD1-CG 3.88Å; I629-L631 HydrophobicContact CG1-CD2 4.07Å; I629-L631 HydrophobicContact CG1-CG 3.96Å; I629-L631 HydrophobicContact CG2-CD1 4.22Å; I629-L631 HydrophobicContact CG2-CG 4.06Å; I629-M654 HydrophobicContact CG2-CE 3.7Å
630	Q	88.2	Confident	92.1	Very high	156 Å²	156	49 Å²	49	73%	0.729	23%	0.234	S	C	*	.			trans	-107.3	76.6	177.9	-67.4	-169.4	-17.7	0	0	110.2
631	L	93.1	Very high	91.9	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.016	25%	0.249	C	C	.	.			trans	-80.2	133.4	177.3	-66.2	176.2	0	0	0	111	I608 L611 I629 I634 M654 L657	I608-L631 HydrophobicContact CG2-CD2 4Å; L611-L631 HydrophobicContact CB-CD1 4.18Å; L611-L631 HydrophobicContact CB-CD2 3.89Å; L611-L631 HydrophobicContact CD2-CD1 4.19Å; I629-L631 HydrophobicContact CD1-CD1 4.3Å; I629-L631 HydrophobicContact CD1-CD2 3.68Å; I629-L631 HydrophobicContact CD1-CG 3.88Å; I629-L631 HydrophobicContact CG1-CD2 4.07Å; I629-L631 HydrophobicContact CG1-CG 3.96Å; I629-L631 HydrophobicContact CG2-CD1 4.22Å; I629-L631 HydrophobicContact CG2-CG 4.06Å; L631-I634 HydrophobicContact CD1-CB 4.2Å; L631-I634 HydrophobicContact CD1-CD1 3.87Å; L631-I634 HydrophobicContact CD1-CG1 4.28Å; L631-M654 HydrophobicContact CB-SD 4.09Å; L631-M654 HydrophobicContact CD1-CE 3.88Å; L631-M654 HydrophobicContact CD1-SD 4.04Å; L631-M654 HydrophobicContact CG-CE 4.48Å; L631-M654 HydrophobicContact CG-SD 4.46Å; L631-L657 HydrophobicContact CB-CD1 4.41Å
632	K	94.9	Very high	92	Very high	84 Å²	84	45.3 Å²	45.3	37%	0.365	22%	0.215	S	C	.	.	S	Bend	trans	-95.2	-30.9	165.8	-70.2	-177	165.7	-123	0	111.8	Q609 E658 H659	Q609-K632 PolarHBondContact O-N 3.09Å; K632-E658 IonicContact NZ-OE1 3.1Å; K632-E658 PolarHBondContact NZ-OE1 2.97Å; K632-E658 WeakPolarHBondContact O-CA 3.21Å; K632-E658 PolarHBondContact O-N 3.1Å; K632-H659 PolarHBondContact O-N 3.39Å
633	K	96.6	Very high	92.3	Very high	78 Å²	78	47.4 Å²	47.4	34%	0.339	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	127.9	179.7	174.5	172.9	176.9	-168	0	110.2	Q609 S610 L611 I635 H659	Q609-K633 PolarHBondContact O-N 2.79Å; S610-K633 WeakPolarHBondContact CA-O 3.36Å; L611-K633 PolarHBondContact N-O 3.21Å; K633-I635 VanDerWaalsContact CE-CD1 3.41Å; K633-H659 WeakPolarHBondContact CA-O 3.42Å; K633-H659 HydrophobicContact CB-CB 3.97Å; K633-H659 HydrophobicContact CD-CB 4.33Å; K633-H659 HydrophobicContact CG-CB 3.88Å
634	I	96.2	Very high	92.4	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133.9	169.5	-168.4	169.4	0	0	0	110.6	L611 L626 L631 V636 L650 L657 H659 I660 D661	L611-I634 CarbonylContact O-C 3.56Å; L611-I634 WeakPolarHBondContact O-CA 3.32Å; L626-I634 HydrophobicContact CD1-CD1 4.34Å; L631-I634 HydrophobicContact CD1-CB 4.2Å; L631-I634 HydrophobicContact CD1-CD1 3.87Å; L631-I634 HydrophobicContact CD1-CG1 4.28Å; I634-V636 HydrophobicContact CD1-CG1 4.14Å; I634-V636 HydrophobicContact CG1-CG1 4.12Å; I634-L650 HydrophobicContact CD1-CD1 3.85Å; I634-L650 HydrophobicContact CD1-CD2 3.99Å; I634-L650 HydrophobicContact CG2-CD2 4.26Å; I634-L657 HydrophobicContact CB-CD1 4.45Å; I634-L657 HydrophobicContact CG2-CD1 3.86Å; I634-L657 HydrophobicContact CG2-CD2 4.06Å; I634-H659 PolarHBondContact N-O 3.01Å; I634-I660 HydrophobicContact CG2-CB 4.46Å; I634-I660 HydrophobicContact CG2-CD1 4.23Å; I634-I660 HydrophobicContact CG2-CG1 3.85Å; I634-I660 WeakPolarHBondContact O-CA 3.44Å; I634-D661 PolarHBondContact O-N 2.52Å; I634-D661 VanDerWaalsContact O-N 3.15Å
635	I	96.9	Very high	92.6	Very high	18 Å²	18	53.7 Å²	53.7	9%	0.092	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119.6	174.4	-58.4	171.6	0	0	0	107.2	L611 D612 L613 T614 K633 A637 D661	L611-I635 PolarHBondContact O-N 3.37Å; D612-I635 HydrophobicContact CB-CB 4.31Å; D612-I635 HydrophobicContact CB-CD1 4.28Å; D612-I635 WeakPolarHBondContact OD2-CD1 3.41Å; L613-I635 PolarHBondContact N-O 2.78Å; T614-I635 WeakPolarHBondContact OG1-CG2 3.2Å; K633-I635 VanDerWaalsContact CE-CD1 3.41Å; I635-A637 HydrophobicContact CG2-CB 4.03Å; I635-D661 HydrophobicContact CB-CB 4.28Å; I635-D661 HydrophobicContact CG1-CB 4.05Å; I635-D661 HydrophobicContact CG2-CB 3.95Å
636	V	95.4	Very high	92.8	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	25%	0.25	C	C	.	.			trans	-122.5	26.6	175.4	-67.4	0	0	0	0	110.8	L613 L623 I634 C639 I647 D661 I662 C665	L613-V636 HydrophobicContact CD1-CG1 4.37Å; L623-V636 HydrophobicContact CD2-CG1 4.04Å; I634-V636 HydrophobicContact CD1-CG1 4.14Å; I634-V636 HydrophobicContact CG1-CG1 4.12Å; V636-C639 HydrophobicContact CB-CB 4.49Å; V636-C639 VanDerWaalsContact O-CB 3.26Å; V636-C639 WeakPolarHBondContact O-CB 3.27Å; V636-C639 PolarHBondContact O-N 3.19Å; V636-C639 PolarHBondContact O-SG 2.88Å; V636-C639 VanDerWaalsContact O-SG 3.4Å; V636-I647 HydrophobicContact CG2-CD1 4.19Å; V636-D661 WeakPolarHBondContact CG2-O 3.19Å; V636-D661 PolarHBondContact N-O 3.45Å; V636-I662 HydrophobicContact CG2-CB 4.47Å; V636-I662 HydrophobicContact CG2-CG2 3.81Å; V636-C665 PolarHBondContact O-SG 2.91Å
637	A	93.7	Very high	93	Very high	9 Å²	9	52.7 Å²	52.7	7%	0.074	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	146.5	-179.5	0	0	0	0	0	111.3	T614 G615 I635 C639 D661 S663	T614-A637 CarbonylContact C-O 3.6Å; T614-A637 WeakPolarHBondContact CA-O 3.33Å; T614-A637 HydrophobicContact CG2-CB 4.07Å; T614-A637 WeakPolarHBondContact CG2-O 3.1Å; G615-A637 PolarHBondContact N-O 3.14Å; I635-A637 HydrophobicContact CG2-CB 4.03Å; A637-C639 PolarHBondContact O-N 3.16Å; A637-D661 PolarHBondContact N-O 3.37Å; A637-S663 CarbonylContact C-O 3.57Å; A637-S663 WeakPolarHBondContact CA-O 3.37Å; A637-S663 WeakPolarHBondContact CB-O 3.47Å
638	K	91.4	Very high	93.4	Very high	79 Å²	79	51.1 Å²	51.1	34%	0.343	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	15.1	-177.6	-59.9	175.2	172.6	-177.4	0	114.8	Y591 T614 V640 S663 Q664	Y591-K638 HydrophobicContact CE1-CD 4.03Å; Y591-K638 VanDerWaalsContact OH-CD 3.22Å; Y591-K638 WeakPolarHBondContact OH-CD 3.15Å; Y591-K638 WeakPolarHBondContact OH-CE 3.23Å; Y591-K638 PolarHBondContact OH-NZ 3.03Å; T614-K638 HydrophobicContact CG2-CB 4.41Å; T614-K638 HydrophobicContact CG2-CD 4.29Å; K638-V640 PolarHBondContact O-N 3.43Å; K638-V640 VanDerWaalsContact O-N 3.08Å; K638-S663 PolarHBondContact N-O 3.45Å; K638-Q664 WeakPolarHBondContact CA-O 3.49Å; K638-Q664 HydrophobicContact CG-CB 3.73Å; K638-Q664 HydrophobicContact CG-CG 4.45Å
639	C	92.3	Very high	93.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.228	C	C	.	.			trans	-79.3	88.6	170.4	-68.3	0	0	0	0	109.1	L613 V636 A637 F641 V642	L613-C639 PolarHBondContact O-SG 2.93Å; V636-C639 HydrophobicContact CB-CB 4.49Å; V636-C639 VanDerWaalsContact O-CB 3.26Å; V636-C639 WeakPolarHBondContact O-CB 3.27Å; V636-C639 PolarHBondContact O-N 3.19Å; V636-C639 PolarHBondContact O-SG 2.88Å; V636-C639 VanDerWaalsContact O-SG 3.4Å; A637-C639 PolarHBondContact O-N 3.16Å; C639-F641 PolarHBondContact O-N 3.35Å; C639-V642 HydrophobicContact CB-CB 4.28Å; C639-V642 HydrophobicContact CB-CG2 3.69Å; C639-V642 PolarHBondContact O-N 2.82Å
640	V	89.6	Confident	93.8	Very high	76 Å²	76	47.2 Å²	47.2	46%	0.461	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-19.3	-169.7	-62.4	0	0	0	0	115	K638	K638-V640 PolarHBondContact O-N 3.43Å; K638-V640 VanDerWaalsContact O-N 3.08Å
641	F	90.9	Very high	93.9	Very high	105 Å²	105	39.8 Å²	39.8	46%	0.461	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	5.2	-178.7	-56.3	-66	0	0	0	114	N617 R619 C639	N617-F641 WeakPolarHBondContact OD1-CD2 3.42Å; N617-F641 WeakPolarHBondContact OD1-CE2 3.16Å; R619-F641 HydrophobicContact CG-CB 3.88Å; C639-F641 PolarHBondContact O-N 3.35Å
642	V	94.8	Very high	93.6	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	21%	0.211	C	C	.	.			trans	-88.5	127.4	175.6	173.7	0	0	0	0	109.3	D620 L623 C639 I647 L668	D620-V642 WeakPolarHBondContact OD1-CA 3.32Å; L623-V642 HydrophobicContact CD1-CB 4.28Å; L623-V642 HydrophobicContact CD1-CG1 3.46Å; L623-V642 VanDerWaalsContact CD1-CG1 3.46Å; L623-V642 HydrophobicContact CD1-CG2 3.74Å; L623-V642 HydrophobicContact CG-CG2 4.41Å; C639-V642 HydrophobicContact CB-CB 4.28Å; C639-V642 HydrophobicContact CB-CG2 3.69Å; C639-V642 PolarHBondContact O-N 2.82Å; V642-I647 HydrophobicContact CG1-CD1 3.91Å; V642-I647 HydrophobicContact CG1-CG1 4.09Å; V642-L668 HydrophobicContact CG1-CD2 4.34Å
643	T	96.4	Very high	92.8	Very high	46 Å²	46	42.4 Å²	42.4	28%	0.282	21%	0.21	S	C	.	.			trans	-112.3	176.7	177.3	82.2	0	0	0	0	111.1	D620 M645 G646 I647 A667	D620-T643 PolarHBondContact OD1-N 2.84Å; D620-T643 WeakPolarHBondContact OD2-CB 3.21Å; D620-T643 PolarHBondContact OD2-OG1 3.25Å; T643-M645 PolarHBondContact O-N 3.13Å; T643-M645 VanDerWaalsContact O-N 3.15Å; T643-M645 PolarHBondContact OG1-N 3.28Å; T643-G646 PolarHBondContact O-N 3.37Å; T643-I647 PolarHBondContact O-N 3.07Å; T643-A667 HydrophobicContact CG2-CB 4.25Å
644	D	96	Very high	92.2	Very high	34 Å²	34	38.9 Å²	38.9	18%	0.182	20%	0.195	C	C	.	.	H	α-helix	trans	-53.3	-34.5	176	-60.4	-35.8	0	0	0	112.4	G646 I647 E648 L668 T669 A671 A672	D644-G646 VanDerWaalsContact C-N 3.33Å; D644-G646 PolarHBondContact O-N 3.3Å; D644-I647 PolarHBondContact O-N 3.13Å; D644-E648 WeakPolarHBondContact O-CB 3.4Å; D644-E648 PolarHBondContact O-N 2.83Å; D644-L668 WeakPolarHBondContact OD1-CA 3.41Å; D644-T669 PolarHBondContact OD1-N 3.38Å; D644-T669 WeakPolarHBondContact OD2-CB 3.34Å; D644-T669 PolarHBondContact OD2-OG1 2.61Å; D644-A671 HydrophobicContact CB-CB 4.16Å; D644-A672 HydrophobicContact CB-CB 4.47Å; D644-A672 WeakPolarHBondContact OD1-CB 3.44Å; D644-A672 PolarHBondContact OD1-N 2.87Å
645	M	95.2	Very high	91.6	Very high	110 Å²	110	47.2 Å²	47.2	54%	0.542	23%	0.226	S	C	.	.	H	α-helix	trans	-64.4	-36.1	177.4	-68.3	-170.4	70.7	0	0	112.8	T643 K649	T643-M645 PolarHBondContact O-N 3.13Å; T643-M645 VanDerWaalsContact O-N 3.15Å; T643-M645 PolarHBondContact OG1-N 3.28Å; M645-K649 VanDerWaalsContact O-CG 3.3Å; M645-K649 WeakPolarHBondContact O-CG 3.49Å; M645-K649 PolarHBondContact O-N 3.1Å
646	G	94.4	Very high	91.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.5	-45.2	176.8	0	0	0	0	0	111.6	D620 T643 D644 K649 L650	D620-G646 VanDerWaalsContact OD1-CA 3.28Å; D620-G646 WeakPolarHBondContact OD1-CA 3.32Å; D620-G646 PolarHBondContact OD1-N 3.45Å; T643-G646 PolarHBondContact O-N 3.37Å; D644-G646 VanDerWaalsContact C-N 3.33Å; D644-G646 PolarHBondContact O-N 3.3Å; G646-K649 PolarHBondContact O-N 3.14Å; G646-L650 WeakPolarHBondContact O-CB 3.3Å; G646-L650 PolarHBondContact O-N 2.95Å
647	I	95.4	Very high	91	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65	-41.9	176.9	-59.8	-58.9	0	0	0	111.3	L623 V636 V642 T643 D644 K649 L650 C651 I662 L668 A672 I676	L623-I647 HydrophobicContact CD1-CD1 4.31Å; V636-I647 HydrophobicContact CG2-CD1 4.19Å; V642-I647 HydrophobicContact CG1-CD1 3.91Å; V642-I647 HydrophobicContact CG1-CG1 4.09Å; T643-I647 PolarHBondContact O-N 3.07Å; D644-I647 PolarHBondContact O-N 3.13Å; I647-K649 PolarHBondContact O-N 2.66Å; I647-L650 WeakPolarHBondContact O-CB 3.32Å; I647-L650 PolarHBondContact O-N 2.86Å; I647-C651 WeakPolarHBondContact O-CB 3.35Å; I647-C651 PolarHBondContact O-N 2.91Å; I647-C651 PolarHBondContact O-SG 2.87Å; I647-C651 VanDerWaalsContact O-SG 3.32Å; I647-I662 HydrophobicContact CD1-CG2 4.13Å; I647-L668 HydrophobicContact CG1-CD1 4.21Å; I647-L668 HydrophobicContact CG1-CD2 3.72Å; I647-A672 HydrophobicContact CB-CB 4.09Å; I647-A672 HydrophobicContact CG1-CB 4.18Å; I647-A672 HydrophobicContact CG2-CB 4.04Å; I647-I676 HydrophobicContact CG2-CD1 3.85Å; I647-I676 HydrophobicContact CG2-CG1 3.73Å
648	E	94.3	Very high	91.1	Very high	99 Å²	99	53.3 Å²	53.3	46%	0.463	26%	0.256	S	S	.	.	H	α-helix	trans	-58.9	-48.9	177	-173.8	-178.5	-173.6	0	0	111.7	D644 L650 C651 D652 A675 Y679	D644-E648 WeakPolarHBondContact O-CB 3.4Å; D644-E648 PolarHBondContact O-N 2.83Å; E648-L650 VanDerWaalsContact C-N 3.32Å; E648-L650 PolarHBondContact O-N 2.95Å; E648-C651 PolarHBondContact O-N 2.89Å; E648-D652 PolarHBondContact O-N 3.2Å; E648-A675 HydrophobicContact CB-CB 4.1Å; E648-A675 HydrophobicContact CG-CB 4.23Å; E648-Y679 HydrophobicContact CG-CE2 4.48Å
649	K	91.9	Very high	91.3	Very high	92 Å²	92	50.5 Å²	50.5	40%	0.4	24%	0.244	S	C	.	.	H	α-helix	trans	-64.3	-35.7	178	-71	173.7	-177.1	172	0	113.1	M645 G646 I647 N653	M645-K649 VanDerWaalsContact O-CG 3.3Å; M645-K649 WeakPolarHBondContact O-CG 3.49Å; M645-K649 PolarHBondContact O-N 3.1Å; G646-K649 PolarHBondContact O-N 3.14Å; I647-K649 PolarHBondContact O-N 2.66Å; K649-N653 PolarHBondContact O-ND2 3.32Å
650	L	92.7	Very high	91.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.9	-51.7	174.7	-178.9	76.9	0	0	0	110.3	L623 L626 I634 G646 I647 E648 D652 N653 M654	L623-L650 HydrophobicContact CB-CB 4.45Å; L623-L650 HydrophobicContact CD2-CD1 4.35Å; L626-L650 HydrophobicContact CB-CD1 4.35Å; L626-L650 HydrophobicContact CD1-CD1 3.82Å; I634-L650 HydrophobicContact CD1-CD1 3.85Å; I634-L650 HydrophobicContact CD1-CD2 3.99Å; I634-L650 HydrophobicContact CG2-CD2 4.26Å; G646-L650 WeakPolarHBondContact O-CB 3.3Å; G646-L650 PolarHBondContact O-N 2.95Å; I647-L650 WeakPolarHBondContact O-CB 3.32Å; I647-L650 PolarHBondContact O-N 2.86Å; E648-L650 VanDerWaalsContact C-N 3.32Å; E648-L650 PolarHBondContact O-N 2.95Å; L650-D652 PolarHBondContact O-N 3.22Å; L650-N653 PolarHBondContact O-N 3.32Å; L650-M654 HydrophobicContact CD1-CE 3.3Å; L650-M654 HydrophobicContact CD1-SD 3.68Å; L650-M654 HydrophobicContact CG-CE 4.15Å; L650-M654 HydrophobicContact CG-SD 3.93Å; L650-M654 WeakPolarHBondContact O-CG 3.36Å; L650-M654 PolarHBondContact O-N 3.12Å
651	C	90.1	Very high	91.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-67.2	-33.9	-175.8	-73.7	0	0	0	0	113.4	I647 E648 N653 M654 Y679	I647-C651 WeakPolarHBondContact O-CB 3.35Å; I647-C651 PolarHBondContact O-N 2.91Å; I647-C651 PolarHBondContact O-SG 2.87Å; I647-C651 VanDerWaalsContact O-SG 3.32Å; E648-C651 PolarHBondContact O-N 2.89Å; C651-N653 PolarHBondContact O-N 3.06Å; C651-M654 PolarHBondContact O-N 3.27Å; C651-M654 VanDerWaalsContact O-N 3.1Å; C651-Y679 HydrophobicContact CB-CD2 3.87Å; C651-Y679 HydrophobicContact CB-CG 4.32Å; C651-Y679 WeakPolarHBondContact O-CB 3.28Å
652	D	86.1	Confident	92.1	Very high	79 Å²	79	43.3 Å²	43.3	42%	0.422	21%	0.208	S	C	.	.	H	α-helix	trans	-52.7	-31	176.8	-172.7	34.8	0	0	0	112.4	E648 L650	E648-D652 PolarHBondContact O-N 3.2Å; L650-D652 PolarHBondContact O-N 3.22Å
653	N	78.9	Confident	92.1	Very high	63 Å²	63	43.8 Å²	43.8	34%	0.337	21%	0.212	S	C	.	.	H	α-helix	trans	-102	-9.4	-177.1	-61.7	-76.2	0	0	0	114.5	K649 L650 C651	K649-N653 PolarHBondContact O-ND2 3.32Å; L650-N653 PolarHBondContact O-N 3.32Å; C651-N653 PolarHBondContact O-N 3.06Å
654	M	83.4	Confident	91.8	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.025	22%	0.218	C	C	.	.			trans	-121.7	77	-169.2	-62.9	-174.6	-168.9	0	0	113.2	L626 I629 L631 L650 C651 L657 C680	L626-M654 HydrophobicContact CB-CE 3.57Å; L626-M654 HydrophobicContact CD1-CE 4.15Å; L626-M654 HydrophobicContact CG-CE 4.49Å; I629-M654 HydrophobicContact CG2-CE 3.7Å; L631-M654 HydrophobicContact CB-SD 4.09Å; L631-M654 HydrophobicContact CD1-CE 3.88Å; L631-M654 HydrophobicContact CD1-SD 4.04Å; L631-M654 HydrophobicContact CG-CE 4.48Å; L631-M654 HydrophobicContact CG-SD 4.46Å; L650-M654 HydrophobicContact CD1-CE 3.3Å; L650-M654 HydrophobicContact CD1-SD 3.68Å; L650-M654 HydrophobicContact CG-CE 4.15Å; L650-M654 HydrophobicContact CG-SD 3.93Å; L650-M654 WeakPolarHBondContact O-CG 3.36Å; L650-M654 PolarHBondContact O-N 3.12Å; C651-M654 PolarHBondContact O-N 3.27Å; C651-M654 VanDerWaalsContact O-N 3.1Å; M654-L657 HydrophobicContact CB-CB 4.46Å; M654-C680 PolarHBondContact O-SG 3.1Å
655	R	84	Confident	91.7	Very high	175 Å²	175	44.2 Å²	44.2	66%	0.66	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-25.9	-177.2	-61.7	-175	-177.6	-168.1	-1.1	114.8	L657	R655-L657 VanDerWaalsContact C-N 3.29Å
656	D	87.3	Confident	91.5	Very high	105 Å²	105	41.8 Å²	41.8	56%	0.561	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	16	-178	-61.6	-39.9	0	0	0	112.6	E658	D656-E658 PolarHBondContact O-N 2.89Å
657	L	92.3	Very high	91.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.216	C	C	.	.			trans	-68	123	-179.8	-166.9	70.5	0	0	0	110.3	L631 I634 M654 R655 I660 C680 S682 L683	L631-L657 HydrophobicContact CB-CD1 4.41Å; I634-L657 HydrophobicContact CB-CD1 4.45Å; I634-L657 HydrophobicContact CG2-CD1 3.86Å; I634-L657 HydrophobicContact CG2-CD2 4.06Å; M654-L657 HydrophobicContact CB-CB 4.46Å; R655-L657 VanDerWaalsContact C-N 3.29Å; L657-I660 HydrophobicContact CD2-CB 3.92Å; L657-I660 HydrophobicContact CD2-CD1 3.99Å; L657-I660 HydrophobicContact CD2-CG1 4.27Å; L657-C680 HydrophobicContact CB-CB 4.36Å; L657-S682 CarbonylContact O-C 3.58Å; L657-L683 PolarHBondContact O-N 3.08Å
658	E	95	Very high	91.4	Very high	50 Å²	50	43.5 Å²	43.5	23%	0.234	22%	0.216	C	C	.	.			trans	-102.9	-32	-178.6	-63.9	175.1	-159.1	0	0	111.4	K632 D656 L684 R685	K632-E658 IonicContact NZ-OE1 3.1Å; K632-E658 PolarHBondContact NZ-OE1 2.97Å; K632-E658 WeakPolarHBondContact O-CA 3.21Å; K632-E658 PolarHBondContact O-N 3.1Å; D656-E658 PolarHBondContact O-N 2.89Å; E658-L684 HydrophobicContact CB-CD1 4.24Å; E658-L684 HydrophobicContact CB-CG 4.33Å; E658-L684 HydrophobicContact CG-CD1 4.37Å; E658-L684 WeakPolarHBondContact O-CA 3.4Å; E658-L684 PolarHBondContact O-N 2.99Å; E658-R685 PolarHBondContact O-N 3.31Å
659	H	96.6	Very high	91.5	Very high	21 Å²	21	40.8 Å²	40.8	10%	0.097	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	124.4	-175.4	-46.7	109.8	0	0	0	111	K632 K633 I634 R685	K632-H659 PolarHBondContact O-N 3.39Å; K633-H659 WeakPolarHBondContact CA-O 3.42Å; K633-H659 HydrophobicContact CB-CB 3.97Å; K633-H659 HydrophobicContact CD-CB 4.33Å; K633-H659 HydrophobicContact CG-CB 3.88Å; I634-H659 PolarHBondContact N-O 3.01Å; H659-R685 WeakPolarHBondContact CA-O 3.37Å; H659-R685 VanDerWaalsContact CD2-CG 3.47Å; H659-R685 WeakPolarHBondContact CD2-CG 3.11Å; H659-R685 VanDerWaalsContact CD2-CZ 3.44Å; H659-R685 PolarHBondContact CD2-NE 2.82Å; H659-R685 PolarHBondContact CD2-NH2 3.06Å; H659-R685 PolarHBondContact CE1-NH2 2.97Å; H659-R685 PolarHBondContact ND1-NH2 3.07Å; H659-R685 VanDerWaalsContact NE2-CZ 3.28Å; H659-R685 PolarHBondContact NE2-NE 3.29Å; H659-R685 PolarHBondContact NE2-NH2 3.14Å
660	I	96.5	Very high	91.7	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135.5	172.4	-164.9	173.9	0	0	0	111	I634 L657 I662 I676 L683 R685 L686 K687	I634-I660 HydrophobicContact CG2-CB 4.46Å; I634-I660 HydrophobicContact CG2-CD1 4.23Å; I634-I660 HydrophobicContact CG2-CG1 3.85Å; I634-I660 WeakPolarHBondContact O-CA 3.44Å; L657-I660 HydrophobicContact CD2-CB 3.92Å; L657-I660 HydrophobicContact CD2-CD1 3.99Å; L657-I660 HydrophobicContact CD2-CG1 4.27Å; I660-I662 HydrophobicContact CD1-CG2 3.97Å; I660-I662 HydrophobicContact CG1-CG2 3.98Å; I660-I676 HydrophobicContact CD1-CD1 3.87Å; I660-I676 HydrophobicContact CD1-CG1 4.13Å; I660-I676 HydrophobicContact CG2-CD1 4.43Å; I660-I676 HydrophobicContact CG2-CG2 4.37Å; I660-L683 HydrophobicContact CB-CD1 4.34Å; I660-L683 HydrophobicContact CG2-CD1 3.79Å; I660-L683 HydrophobicContact CG2-CD2 4.19Å; I660-R685 PolarHBondContact N-O 3.12Å; I660-L686 HydrophobicContact CG2-CD1 3.33Å; I660-L686 WeakPolarHBondContact O-CA 3.41Å; I660-K687 PolarHBondContact O-N 3.49Å
661	D	96.9	Very high	91.7	Very high	25 Å²	25	40.1 Å²	40.1	13%	0.134	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	114.8	173.6	-173.2	-11.4	0	0	0	109.1	I634 I635 V636 A637 S663 K687	I634-D661 PolarHBondContact O-N 2.52Å; I634-D661 VanDerWaalsContact O-N 3.15Å; I635-D661 HydrophobicContact CB-CB 4.28Å; I635-D661 HydrophobicContact CG1-CB 4.05Å; I635-D661 HydrophobicContact CG2-CB 3.95Å; V636-D661 WeakPolarHBondContact CG2-O 3.19Å; V636-D661 PolarHBondContact N-O 3.45Å; A637-D661 PolarHBondContact N-O 3.37Å; D661-S663 WeakPolarHBondContact OD1-CB 3.31Å; D661-S663 PolarHBondContact OD1-N 3.48Å; D661-S663 PolarHBondContact OD1-OG 3.3Å; D661-K687 WeakPolarHBondContact CA-O 3.46Å; D661-K687 HydrophobicContact CB-CB 4.08Å; D661-K687 WeakPolarHBondContact OD1-CB 3.24Å; D661-K687 WeakPolarHBondContact OD2-CD 3.1Å
662	I	96.3	Very high	92	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.214	C	C	.	.			trans	-116.2	20	179.6	62.3	169.7	0	0	0	111.3	V636 I647 I660 C665 L668 I673 I676 K687 M688 C691	V636-I662 HydrophobicContact CG2-CB 4.47Å; V636-I662 HydrophobicContact CG2-CG2 3.81Å; I647-I662 HydrophobicContact CD1-CG2 4.13Å; I660-I662 HydrophobicContact CD1-CG2 3.97Å; I660-I662 HydrophobicContact CG1-CG2 3.98Å; I662-C665 WeakPolarHBondContact O-CB 3.39Å; I662-L668 HydrophobicContact CB-CD1 3.72Å; I662-L668 HydrophobicContact CD1-CD1 3.97Å; I662-L668 HydrophobicContact CG1-CD1 4.31Å; I662-L668 HydrophobicContact CG2-CD1 4.22Å; I662-I673 HydrophobicContact CD1-CD1 3.6Å; I662-I676 HydrophobicContact CD1-CD1 4.28Å; I662-K687 WeakPolarHBondContact CG1-O 3.35Å; I662-K687 PolarHBondContact N-O 3.01Å; I662-M688 HydrophobicContact CD1-CB 4.09Å; I662-M688 HydrophobicContact CG1-CB 3.87Å; I662-C691 PolarHBondContact O-SG 3.15Å
663	S	94.3	Very high	92.5	Very high	12 Å²	12	36.3 Å²	36.3	8%	0.084	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	146.3	-173.6	-53.9	0	0	0	0	111.9	A637 K638 D661 C665 A689	A637-S663 CarbonylContact C-O 3.57Å; A637-S663 WeakPolarHBondContact CA-O 3.37Å; A637-S663 WeakPolarHBondContact CB-O 3.47Å; K638-S663 PolarHBondContact N-O 3.45Å; D661-S663 WeakPolarHBondContact OD1-CB 3.31Å; D661-S663 PolarHBondContact OD1-N 3.48Å; D661-S663 PolarHBondContact OD1-OG 3.3Å; S663-C665 VanDerWaalsContact C-N 3.25Å; S663-C665 PolarHBondContact O-N 3.28Å; S663-A689 CarbonylContact C-O 3.52Å; S663-A689 WeakPolarHBondContact CA-O 3.32Å; S663-A689 VanDerWaalsContact CB-O 3.28Å; S663-A689 WeakPolarHBondContact CB-O 3.22Å; S663-A689 PolarHBondContact OG-N 3.19Å; S663-A689 VanDerWaalsContact OG-N 3.14Å
664	Q	90.9	Very high	93.2	Very high	89 Å²	89	34 Å²	34	42%	0.416	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	33.6	178.7	-60.6	-177.8	22	0	0	114.1	K638 P666 A689 A690	K638-Q664 WeakPolarHBondContact CA-O 3.49Å; K638-Q664 HydrophobicContact CG-CB 3.73Å; K638-Q664 HydrophobicContact CG-CG 4.45Å; Q664-P666 WeakPolarHBondContact O-CD 3.29Å; Q664-A689 PolarHBondContact N-O 2.89Å; Q664-A690 HydrophobicContact CG-CB 3.66Å
665	C	93.3	Very high	93.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.188	C	C	.	.			trans	-102.1	97.9	170.5	-71.1	0	0	0	0	109.5	V636 I662 S663 A667 L668	V636-C665 PolarHBondContact O-SG 2.91Å; I662-C665 WeakPolarHBondContact O-CB 3.39Å; S663-C665 VanDerWaalsContact C-N 3.25Å; S663-C665 PolarHBondContact O-N 3.28Å; C665-A667 VanDerWaalsContact C-N 3.27Å; C665-A667 PolarHBondContact O-N 3.41Å; C665-L668 HydrophobicContact CB-CB 4.42Å; C665-L668 HydrophobicContact CB-CD1 3.45Å; C665-L668 VanDerWaalsContact CB-CD1 3.45Å; C665-L668 HydrophobicContact CB-CG 3.68Å; C665-L668 PolarHBondContact O-N 2.83Å
666	P	90.4	Very high	94.1	Very high	59 Å²	59	26 Å²	26	38%	0.383	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-20.4	-169.2	27.2	-35.6	0	0	0	114.7	Q664 P692	Q664-P666 WeakPolarHBondContact O-CD 3.29Å; P666-P692 HydrophobicContact CB-CG 4.37Å
667	A	92.7	Very high	94.3	Very high	35 Å²	35	21.5 Å²	21.5	29%	0.289	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	1.6	-178.4	0	0	0	0	0	114	T643 C665	T643-A667 HydrophobicContact CG2-CB 4.25Å; C665-A667 VanDerWaalsContact C-N 3.27Å; C665-A667 PolarHBondContact O-N 3.41Å
668	L	95.9	Very high	94.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.158	C	C	.	.			trans	-89.5	139.7	177.1	-62.8	-176.5	0	0	0	111	V642 D644 I647 I662 C665 A672 M694	V642-L668 HydrophobicContact CG1-CD2 4.34Å; D644-L668 WeakPolarHBondContact OD1-CA 3.41Å; I647-L668 HydrophobicContact CG1-CD1 4.21Å; I647-L668 HydrophobicContact CG1-CD2 3.72Å; I662-L668 HydrophobicContact CB-CD1 3.72Å; I662-L668 HydrophobicContact CD1-CD1 3.97Å; I662-L668 HydrophobicContact CG1-CD1 4.31Å; I662-L668 HydrophobicContact CG2-CD1 4.22Å; C665-L668 HydrophobicContact CB-CB 4.42Å; C665-L668 HydrophobicContact CB-CD1 3.45Å; C665-L668 VanDerWaalsContact CB-CD1 3.45Å; C665-L668 HydrophobicContact CB-CG 3.68Å; C665-L668 PolarHBondContact O-N 2.83Å; L668-A672 HydrophobicContact CB-CB 4.39Å; L668-A672 HydrophobicContact CD2-CB 4.07Å; L668-M694 VanDerWaalsContact C-CE 3.5Å; L668-M694 HydrophobicContact CB-CE 3.91Å; L668-M694 WeakPolarHBondContact O-CE 3.49Å
669	T	96.2	Very high	94	Very high	42 Å²	42	27 Å²	27	26%	0.258	16%	0.159	S	C	.	.	B	Isolated β-bridge	trans	-121.6	-177	177.1	77.7	0	0	0	0	111.4	D644 A671 A672 Q693	D644-T669 PolarHBondContact OD1-N 3.38Å; D644-T669 WeakPolarHBondContact OD2-CB 3.34Å; D644-T669 PolarHBondContact OD2-OG1 2.61Å; T669-A671 PolarHBondContact O-N 2.9Å; T669-A671 WeakPolarHBondContact OG1-CB 3.27Å; T669-A671 PolarHBondContact OG1-N 3.31Å; T669-A672 PolarHBondContact O-N 2.85Å; T669-A672 VanDerWaalsContact O-N 3.09Å; T669-Q693 HydrophobicContact CG2-CB 4.17Å; T669-Q693 VanDerWaalsContact CG2-OE1 3.3Å
670	D	95.3	Very high	93.6	Very high	25 Å²	25	26 Å²	26	13%	0.134	16%	0.155	C	C	.	.	H	α-helix	trans	-54.1	-23.1	173.5	-58.1	-43	0	0	0	113	I673 G674 T695 M697 A698 Y701	D670-I673 PolarHBondContact O-N 3.31Å; D670-G674 PolarHBondContact O-N 3.09Å; D670-T695 PolarHBondContact OD1-N 3.45Å; D670-T695 PolarHBondContact OD1-OG1 3.35Å; D670-T695 WeakPolarHBondContact OD2-CB 3.25Å; D670-T695 PolarHBondContact OD2-OG1 2.99Å; D670-M697 HydrophobicContact CB-CB 4.17Å; D670-A698 HydrophobicContact CB-CB 4.45Å; D670-A698 VanDerWaalsContact OD1-CB 3.23Å; D670-A698 WeakPolarHBondContact OD1-CB 3.33Å; D670-A698 PolarHBondContact OD1-N 3.32Å; D670-Y701 HydrophobicContact CB-CD2 4.44Å; D670-Y701 HydrophobicContact CB-CE2 4.07Å; D670-Y701 WeakPolarHBondContact O-CD2 3.14Å
671	A	94.4	Very high	93.2	Very high	53 Å²	53	33.6 Å²	33.6	44%	0.438	18%	0.183	S	C	.	.	H	α-helix	trans	-64.9	-38.7	177.6	0	0	0	0	0	112.7	D644 T669 I673 G674 A675	D644-A671 HydrophobicContact CB-CB 4.16Å; T669-A671 PolarHBondContact O-N 2.9Å; T669-A671 WeakPolarHBondContact OG1-CB 3.27Å; T669-A671 PolarHBondContact OG1-N 3.31Å; A671-I673 VanDerWaalsContact C-N 3.33Å; A671-I673 PolarHBondContact O-N 2.83Å; A671-G674 WeakPolarHBondContact O-CA 3.48Å; A671-G674 PolarHBondContact O-N 3.34Å; A671-A675 PolarHBondContact O-N 3.23Å
672	A	95.9	Very high	92.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.9	-44.6	173	0	0	0	0	0	111.7	D644 I647 L668 T669 G674 A675 I676	D644-A672 HydrophobicContact CB-CB 4.47Å; D644-A672 WeakPolarHBondContact OD1-CB 3.44Å; D644-A672 PolarHBondContact OD1-N 2.87Å; I647-A672 HydrophobicContact CB-CB 4.09Å; I647-A672 HydrophobicContact CG1-CB 4.18Å; I647-A672 HydrophobicContact CG2-CB 4.04Å; L668-A672 HydrophobicContact CB-CB 4.39Å; L668-A672 HydrophobicContact CD2-CB 4.07Å; T669-A672 PolarHBondContact O-N 2.85Å; T669-A672 VanDerWaalsContact O-N 3.09Å; A672-G674 VanDerWaalsContact C-N 3.31Å; A672-G674 PolarHBondContact O-N 3.27Å; A672-A675 PolarHBondContact O-N 3.39Å; A672-I676 WeakPolarHBondContact O-CG1 3.37Å; A672-I676 PolarHBondContact O-N 3.4Å
673	I	95.8	Very high	92.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.2	-37.8	175.8	-61.6	-59.4	0	0	0	111.2	I662 D670 A671 I676 S677 L686 M688 M694 A698 L702	I662-I673 HydrophobicContact CD1-CD1 3.6Å; D670-I673 PolarHBondContact O-N 3.31Å; A671-I673 VanDerWaalsContact C-N 3.33Å; A671-I673 PolarHBondContact O-N 2.83Å; I673-I676 HydrophobicContact CD1-CD1 4.1Å; I673-I676 PolarHBondContact O-N 3.46Å; I673-S677 VanDerWaalsContact O-CB 3.31Å; I673-S677 WeakPolarHBondContact O-CB 3.41Å; I673-S677 PolarHBondContact O-N 3Å; I673-S677 PolarHBondContact O-OG 3.2Å; I673-L686 HydrophobicContact CD1-CD1 4.39Å; I673-L686 HydrophobicContact CD1-CD2 4.04Å; I673-M688 HydrophobicContact CD1-SD 3.97Å; I673-M688 HydrophobicContact CG1-SD 4.27Å; I673-M694 HydrophobicContact CG1-CG 4.48Å; I673-M694 HydrophobicContact CG1-SD 3.92Å; I673-A698 HydrophobicContact CB-CB 3.96Å; I673-A698 HydrophobicContact CG1-CB 3.85Å; I673-A698 HydrophobicContact CG2-CB 3.93Å; I673-A698 VanDerWaalsContact CG2-O 3.26Å; I673-A698 WeakPolarHBondContact CG2-O 3.42Å; I673-L702 HydrophobicContact CG2-CD1 4.11Å; I673-L702 HydrophobicContact CG2-CD2 3.69Å; I673-L702 HydrophobicContact CG2-CG 3.52Å
674	G	94	Very high	92.4	Very high	15 Å²	15	36.7 Å²	36.7	16%	0.155	20%	0.203	C	C	.	.	H	α-helix	trans	-53.8	-51.5	170.5	0	0	0	0	0	111.8	D670 A671 A672 S677 L678	D670-G674 PolarHBondContact O-N 3.09Å; A671-G674 WeakPolarHBondContact O-CA 3.48Å; A671-G674 PolarHBondContact O-N 3.34Å; A672-G674 VanDerWaalsContact C-N 3.31Å; A672-G674 PolarHBondContact O-N 3.27Å; G674-S677 PolarHBondContact O-N 2.89Å; G674-S677 PolarHBondContact O-OG 3.22Å; G674-L678 WeakPolarHBondContact O-CB 3.48Å; G674-L678 PolarHBondContact O-N 3.32Å
675	A	93.6	Very high	92.6	Very high	11 Å²	11	37.3 Å²	37.3	9%	0.091	20%	0.201	C	C	.	.	H	α-helix	trans	-61.2	-47.8	176.8	0	0	0	0	0	112.3	E648 A671 A672 S677 L678 Y679	E648-A675 HydrophobicContact CB-CB 4.1Å; E648-A675 HydrophobicContact CG-CB 4.23Å; A671-A675 PolarHBondContact O-N 3.23Å; A672-A675 PolarHBondContact O-N 3.39Å; A675-S677 VanDerWaalsContact C-N 3.31Å; A675-S677 PolarHBondContact O-N 3.37Å; A675-L678 PolarHBondContact O-N 2.92Å; A675-Y679 HydrophobicContact CB-CD2 4.44Å; A675-Y679 HydrophobicContact CB-CE2 4.48Å; A675-Y679 WeakPolarHBondContact O-CD2 3.47Å; A675-Y679 PolarHBondContact O-N 3.49Å; A675-Y679 VanDerWaalsContact O-N 3.1Å
676	I	93.8	Very high	92.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-56.1	-47.2	176.6	-68.4	161	0	0	0	110.5	I647 I660 I662 A672 I673 L678 C680 L683	I647-I676 HydrophobicContact CG2-CD1 3.85Å; I647-I676 HydrophobicContact CG2-CG1 3.73Å; I660-I676 HydrophobicContact CD1-CD1 3.87Å; I660-I676 HydrophobicContact CD1-CG1 4.13Å; I660-I676 HydrophobicContact CG2-CD1 4.43Å; I660-I676 HydrophobicContact CG2-CG2 4.37Å; I662-I676 HydrophobicContact CD1-CD1 4.28Å; A672-I676 WeakPolarHBondContact O-CG1 3.37Å; A672-I676 PolarHBondContact O-N 3.4Å; I673-I676 HydrophobicContact CD1-CD1 4.1Å; I673-I676 PolarHBondContact O-N 3.46Å; I676-L678 VanDerWaalsContact C-N 3.3Å; I676-L678 PolarHBondContact O-N 3.3Å; I676-C680 HydrophobicContact CG2-CB 4.35Å; I676-C680 WeakPolarHBondContact O-CA 3.27Å; I676-C680 VanDerWaalsContact O-CB 3.26Å; I676-C680 WeakPolarHBondContact O-CB 3.4Å; I676-C680 PolarHBondContact O-N 2.88Å; I676-L683 HydrophobicContact CG2-CD2 3.79Å
677	S	91.4	Very high	93	Very high	10 Å²	10	38.3 Å²	38.3	7%	0.07	20%	0.2	C	C	.	.	H	α-helix	trans	-66.2	-31.1	-178.4	75.5	0	0	0	0	113.5	I673 G674 A675 Y701 G705	I673-S677 VanDerWaalsContact O-CB 3.31Å; I673-S677 WeakPolarHBondContact O-CB 3.41Å; I673-S677 PolarHBondContact O-N 3Å; I673-S677 PolarHBondContact O-OG 3.2Å; G674-S677 PolarHBondContact O-N 2.89Å; G674-S677 PolarHBondContact O-OG 3.22Å; A675-S677 VanDerWaalsContact C-N 3.31Å; A675-S677 PolarHBondContact O-N 3.37Å; S677-Y701 WeakPolarHBondContact CB-O 3.28Å; S677-G705 WeakPolarHBondContact O-CA 3.38Å
678	L	90.4	Very high	93.2	Very high	100 Å²	100	36.6 Å²	36.6	52%	0.524	19%	0.186	S	C	.	.	H	α-helix	trans	-74.5	-46.4	-179	-177	64.7	0	0	0	111.7	G674 A675 I676	G674-L678 WeakPolarHBondContact O-CB 3.48Å; G674-L678 PolarHBondContact O-N 3.32Å; A675-L678 PolarHBondContact O-N 2.92Å; I676-L678 VanDerWaalsContact C-N 3.3Å; I676-L678 PolarHBondContact O-N 3.3Å
679	Y	89.3	Confident	93	Very high	65 Å²	65	37.3 Å²	37.3	26%	0.255	19%	0.192	S	C	.	.	H	α-helix	trans	-95.4	-37.9	-171.6	-60.9	-68.9	0	0	0	113.6	E648 C651 A675 R681	E648-Y679 HydrophobicContact CG-CE2 4.48Å; C651-Y679 HydrophobicContact CB-CD2 3.87Å; C651-Y679 HydrophobicContact CB-CG 4.32Å; C651-Y679 WeakPolarHBondContact O-CB 3.28Å; A675-Y679 HydrophobicContact CB-CD2 4.44Å; A675-Y679 HydrophobicContact CB-CE2 4.48Å; A675-Y679 WeakPolarHBondContact O-CD2 3.47Å; A675-Y679 PolarHBondContact O-N 3.49Å; A675-Y679 VanDerWaalsContact O-N 3.1Å; Y679-R681 PolarHBondContact O-N 3.26Å
680	C	89.2	Confident	92.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.			trans	-99.3	72.2	-172.3	-54.4	0	0	0	0	111.9	M654 L657 I676 S682 L683	M654-C680 PolarHBondContact O-SG 3.1Å; L657-C680 HydrophobicContact CB-CB 4.36Å; I676-C680 HydrophobicContact CG2-CB 4.35Å; I676-C680 WeakPolarHBondContact O-CA 3.27Å; I676-C680 VanDerWaalsContact O-CB 3.26Å; I676-C680 WeakPolarHBondContact O-CB 3.4Å; I676-C680 PolarHBondContact O-N 2.88Å; C680-S682 VanDerWaalsContact C-N 3.31Å; C680-S682 PolarHBondContact O-N 3.47Å; C680-L683 WeakPolarHBondContact O-CB 3.33Å; C680-L683 PolarHBondContact O-N 3.21Å
681	R	86.3	Confident	92.5	Very high	164 Å²	164	35.6 Å²	35.6	62%	0.619	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.2	-176.1	-61.7	-166.1	-175.9	-177.2	0.5	115	Y679 L683	Y679-R681 PolarHBondContact O-N 3.26Å; R681-L683 VanDerWaalsContact C-N 3.27Å; R681-L683 PolarHBondContact O-N 3.07Å
682	S	87.9	Confident	92.3	Very high	52 Å²	52	36.2 Å²	36.2	36%	0.364	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	12.1	178.5	-57.3	0	0	0	0	113.1	L657 C680 L684	L657-S682 CarbonylContact O-C 3.58Å; C680-S682 VanDerWaalsContact C-N 3.31Å; C680-S682 PolarHBondContact O-N 3.47Å; S682-L684 PolarHBondContact O-N 3.45Å
683	L	91.7	Very high	92.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.			trans	-65.4	125.1	-175.1	-164.9	72.3	0	0	0	111.4	L657 I660 I676 C680 R681 L686 Y708 L709	L657-L683 PolarHBondContact O-N 3.08Å; I660-L683 HydrophobicContact CB-CD1 4.34Å; I660-L683 HydrophobicContact CG2-CD1 3.79Å; I660-L683 HydrophobicContact CG2-CD2 4.19Å; I676-L683 HydrophobicContact CG2-CD2 3.79Å; C680-L683 WeakPolarHBondContact O-CB 3.33Å; C680-L683 PolarHBondContact O-N 3.21Å; R681-L683 VanDerWaalsContact C-N 3.27Å; R681-L683 PolarHBondContact O-N 3.07Å; L683-L686 HydrophobicContact CD2-CB 4.03Å; L683-Y708 CarbonylContact O-C 3.52Å; L683-L709 HydrophobicContact CD2-CD1 4.31Å; L683-L709 HydrophobicContact CG-CD1 4.36Å; L683-L709 WeakPolarHBondContact O-CA 3.22Å; L683-L709 PolarHBondContact O-N 3.23Å
684	L	92.7	Very high	92	Very high	51 Å²	51	40.6 Å²	40.6	27%	0.267	21%	0.205	S	C	.	.			trans	-105.4	-34.5	179.3	-59.3	-179.7	0	0	0	111.9	E658 S682 Y708 L710 E711	E658-L684 HydrophobicContact CB-CD1 4.24Å; E658-L684 HydrophobicContact CB-CG 4.33Å; E658-L684 HydrophobicContact CG-CD1 4.37Å; E658-L684 WeakPolarHBondContact O-CA 3.4Å; E658-L684 PolarHBondContact O-N 2.99Å; S682-L684 PolarHBondContact O-N 3.45Å; L684-Y708 WeakPolarHBondContact CD2-O 3.24Å; L684-L710 HydrophobicContact CD2-CD1 4.42Å; L684-L710 PolarHBondContact O-N 3.09Å; L684-E711 PolarHBondContact O-N 3.43Å
685	R	94.8	Very high	92.1	Very high	101 Å²	101	41.9 Å²	41.9	38%	0.381	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	129.9	-179.5	-52.3	-174.1	-89.6	-115.9	-5.3	111.4	E658 H659 I660 E711	E658-R685 PolarHBondContact O-N 3.31Å; H659-R685 WeakPolarHBondContact CA-O 3.37Å; H659-R685 VanDerWaalsContact CD2-CG 3.47Å; H659-R685 WeakPolarHBondContact CD2-CG 3.11Å; H659-R685 VanDerWaalsContact CD2-CZ 3.44Å; H659-R685 PolarHBondContact CD2-NE 2.82Å; H659-R685 PolarHBondContact CD2-NH2 3.06Å; H659-R685 PolarHBondContact CE1-NH2 2.97Å; H659-R685 PolarHBondContact ND1-NH2 3.07Å; H659-R685 VanDerWaalsContact NE2-CZ 3.28Å; H659-R685 PolarHBondContact NE2-NE 3.29Å; H659-R685 PolarHBondContact NE2-NH2 3.14Å; I660-R685 PolarHBondContact N-O 3.12Å; R685-E711 WeakPolarHBondContact CA-O 3.29Å; R685-E711 HydrophobicContact CB-CB 4.13Å; R685-E711 WeakPolarHBondContact CD-OE1 3.36Å; R685-E711 WeakPolarHBondContact CD-OE2 3.47Å; R685-E711 HydrophobicContact CG-CB 3.8Å; R685-E711 HydrophobicContact CG-CG 3.85Å; R685-E711 IonicContact NH1-OE1 2.68Å
686	L	96.1	Very high	92.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.9	173.5	175.9	65.5	0	0	0	109.8	I660 I673 L683 M688 L702 L709 E711 L712 D713	I660-L686 HydrophobicContact CG2-CD1 3.33Å; I660-L686 WeakPolarHBondContact O-CA 3.41Å; I673-L686 HydrophobicContact CD1-CD1 4.39Å; I673-L686 HydrophobicContact CD1-CD2 4.04Å; L683-L686 HydrophobicContact CD2-CB 4.03Å; L686-M688 HydrophobicContact CD2-SD 4.47Å; L686-L702 HydrophobicContact CD2-CD1 3.42Å; L686-L702 VanDerWaalsContact CD2-CD1 3.42Å; L686-L702 HydrophobicContact CD2-CD2 3.44Å; L686-L702 VanDerWaalsContact CD2-CD2 3.44Å; L686-L702 HydrophobicContact CD2-CG 4.04Å; L686-L709 HydrophobicContact CB-CD1 4.03Å; L686-E711 PolarHBondContact N-O 3.09Å; L686-L712 HydrophobicContact CB-CD1 4.13Å; L686-L712 HydrophobicContact CD2-CD1 3.94Å; L686-L712 HydrophobicContact CG-CD1 4.13Å; L686-L712 WeakPolarHBondContact O-CA 3.42Å; L686-D713 PolarHBondContact O-N 2.97Å
687	K	96	Very high	92.1	Very high	80 Å²	80	46.5 Å²	46.5	35%	0.348	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.9	166.8	-60.7	-170.8	174.6	-173.9	0	109.8	I660 D661 I662 D713	I660-K687 PolarHBondContact O-N 3.49Å; D661-K687 WeakPolarHBondContact CA-O 3.46Å; D661-K687 HydrophobicContact CB-CB 4.08Å; D661-K687 WeakPolarHBondContact OD1-CB 3.24Å; D661-K687 WeakPolarHBondContact OD2-CD 3.1Å; I662-K687 WeakPolarHBondContact CG1-O 3.35Å; I662-K687 PolarHBondContact N-O 3.01Å; K687-D713 HydrophobicContact CB-CB 4.06Å; K687-D713 HydrophobicContact CD-CB 4.4Å; K687-D713 HydrophobicContact CG-CB 3.79Å
688	M	95.6	Very high	92.1	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.			trans	-135.9	30.8	178.3	65.1	-179.7	-157.5	0	0	111.1	I662 I673 L686 C691 M694 I699 D713 M714 C717 L720	I662-M688 HydrophobicContact CD1-CB 4.09Å; I662-M688 HydrophobicContact CG1-CB 3.87Å; I673-M688 HydrophobicContact CD1-SD 3.97Å; I673-M688 HydrophobicContact CG1-SD 4.27Å; L686-M688 HydrophobicContact CD2-SD 4.47Å; M688-C691 WeakPolarHBondContact O-CB 3.32Å; M688-C691 PolarHBondContact O-SG 3.34Å; M688-M694 HydrophobicContact CE-CG 4.16Å; M688-M694 HydrophobicContact SD-CG 3.88Å; M688-I699 HydrophobicContact CE-CD1 3.68Å; M688-D713 WeakPolarHBondContact CG-O 3.37Å; M688-D713 PolarHBondContact N-O 3.17Å; M688-M714 HydrophobicContact CE-CB 3.68Å; M688-M714 HydrophobicContact CG-CB 4.38Å; M688-C717 PolarHBondContact O-SG 3.41Å; M688-L720 HydrophobicContact CE-CD1 3.97Å
689	A	92.1	Very high	92.3	Very high	15 Å²	15	41.2 Å²	41.2	12%	0.124	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	144.6	-174.3	0	0	0	0	0	111.6	S663 Q664 C691 S715	S663-A689 CarbonylContact C-O 3.52Å; S663-A689 WeakPolarHBondContact CA-O 3.32Å; S663-A689 VanDerWaalsContact CB-O 3.28Å; S663-A689 WeakPolarHBondContact CB-O 3.22Å; S663-A689 PolarHBondContact OG-N 3.19Å; S663-A689 VanDerWaalsContact OG-N 3.14Å; Q664-A689 PolarHBondContact N-O 2.89Å; A689-C691 PolarHBondContact O-N 2.56Å; A689-S715 CarbonylContact C-O 3.49Å; A689-S715 WeakPolarHBondContact CA-O 3.28Å; A689-S715 WeakPolarHBondContact CB-O 3.27Å
690	A	89.8	Confident	92.4	Very high	30 Å²	30	40.3 Å²	40.3	25%	0.248	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	34.8	-179.9	0	0	0	0	0	113.8	Q664 P692 S715 D716	Q664-A690 HydrophobicContact CG-CB 3.66Å; A690-P692 WeakPolarHBondContact O-CD 3.32Å; A690-S715 PolarHBondContact N-O 3.36Å; A690-D716 HydrophobicContact CB-CB 3.79Å
691	C	92.4	Very high	92.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.221	C	C	.	.			trans	-93.4	105.2	167.4	-66.9	0	0	0	0	109.5	I662 M688 A689 Q693 M694	I662-C691 PolarHBondContact O-SG 3.15Å; M688-C691 WeakPolarHBondContact O-CB 3.32Å; M688-C691 PolarHBondContact O-SG 3.34Å; A689-C691 PolarHBondContact O-N 2.56Å; C691-Q693 VanDerWaalsContact C-N 3.33Å; C691-Q693 PolarHBondContact O-N 2.89Å; C691-M694 HydrophobicContact CB-CB 4.28Å; C691-M694 HydrophobicContact CB-CE 3.55Å; C691-M694 PolarHBondContact O-N 3.14Å
692	P	88.8	Confident	92.8	Very high	66 Å²	66	36.8 Å²	36.8	43%	0.429	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-20.4	-165.8	28.4	-35.3	0	0	0	114.5	P666 A690 L719	P666-P692 HydrophobicContact CB-CG 4.37Å; A690-P692 WeakPolarHBondContact O-CD 3.32Å; P692-L719 WeakPolarHBondContact O-CD1 3.33Å
693	Q	92	Very high	92.7	Very high	93 Å²	93	35.7 Å²	35.7	44%	0.435	18%	0.183	S	C	.	.	B	Isolated β-bridge	trans	-97.7	10.2	-178.1	-58.3	-174	-33.2	0	0	113.3	T669 C691	T669-Q693 HydrophobicContact CG2-CB 4.17Å; T669-Q693 VanDerWaalsContact CG2-OE1 3.3Å; C691-Q693 VanDerWaalsContact C-N 3.33Å; C691-Q693 PolarHBondContact O-N 2.89Å
694	M	94.8	Very high	92.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.			trans	-87.5	121.2	-178.5	-127.1	50.7	63.5	0	0	111.1	L668 I673 M688 C691 A698 L719	L668-M694 VanDerWaalsContact C-CE 3.5Å; L668-M694 HydrophobicContact CB-CE 3.91Å; L668-M694 WeakPolarHBondContact O-CE 3.49Å; I673-M694 HydrophobicContact CG1-CG 4.48Å; I673-M694 HydrophobicContact CG1-SD 3.92Å; M688-M694 HydrophobicContact CE-CG 4.16Å; M688-M694 HydrophobicContact SD-CG 3.88Å; C691-M694 HydrophobicContact CB-CB 4.28Å; C691-M694 HydrophobicContact CB-CE 3.55Å; C691-M694 PolarHBondContact O-N 3.14Å; M694-A698 HydrophobicContact CG-CB 3.87Å; M694-A698 HydrophobicContact SD-CB 4.27Å; M694-L719 WeakPolarHBondContact O-CB 3.36Å
695	T	95.3	Very high	91.9	Very high	42 Å²	42	39 Å²	39	26%	0.258	21%	0.208	S	C	.	.			trans	-114.1	178.7	-176.1	85.1	0	0	0	0	111.9	D670 M697 A698 L719 L720	D670-T695 PolarHBondContact OD1-N 3.45Å; D670-T695 PolarHBondContact OD1-OG1 3.35Å; D670-T695 WeakPolarHBondContact OD2-CB 3.25Å; D670-T695 PolarHBondContact OD2-OG1 2.99Å; T695-M697 PolarHBondContact O-N 3Å; T695-M697 PolarHBondContact OG1-N 3.35Å; T695-A698 WeakPolarHBondContact O-CB 3.38Å; T695-A698 PolarHBondContact O-N 3.1Å; T695-L719 HydrophobicContact CG2-CB 4.27Å; T695-L719 HydrophobicContact CG2-CD1 4.13Å; T695-L720 WeakPolarHBondContact O-CD2 3.31Å
696	D	93.5	Very high	91.4	Very high	23 Å²	23	34.2 Å²	34.2	12%	0.123	19%	0.19	C	C	.	.	H	α-helix	trans	-55.2	-21.8	176.3	-64	-45.7	0	0	0	113.1	I699 V700 T721 R723 S724	D696-I699 PolarHBondContact O-N 2.92Å; D696-V700 PolarHBondContact O-N 3.19Å; D696-V700 VanDerWaalsContact O-N 3.14Å; D696-T721 PolarHBondContact OD1-N 2.96Å; D696-T721 PolarHBondContact OD1-OG1 3.5Å; D696-T721 PolarHBondContact OD2-OG1 3.43Å; D696-R723 HydrophobicContact CB-CB 4.4Å; D696-S724 WeakPolarHBondContact OD1-CB 3.45Å; D696-S724 PolarHBondContact OD1-N 3.43Å; D696-S724 PolarHBondContact OD1-OG 3.07Å
697	M	93.3	Very high	90.6	Very high	84 Å²	84	39.7 Å²	39.7	41%	0.414	22%	0.216	S	C	.	.	H	α-helix	trans	-65.3	-36.9	176.9	-73	-58.7	-59.9	0	0	112.8	D670 T695 I699 V700 Y701	D670-M697 HydrophobicContact CB-CB 4.17Å; T695-M697 PolarHBondContact O-N 3Å; T695-M697 PolarHBondContact OG1-N 3.35Å; M697-I699 VanDerWaalsContact C-N 3.26Å; M697-I699 PolarHBondContact O-N 3.41Å; M697-V700 WeakPolarHBondContact O-CB 3.5Å; M697-V700 PolarHBondContact O-N 3.24Å; M697-V700 VanDerWaalsContact O-N 3.11Å; M697-Y701 HydrophobicContact CB-CE2 4.43Å; M697-Y701 HydrophobicContact CE-CE1 4.38Å; M697-Y701 VanDerWaalsContact O-CD2 3.26Å; M697-Y701 WeakPolarHBondContact O-CD2 3.45Å; M697-Y701 PolarHBondContact O-N 2.8Å
698	A	93.1	Very high	90.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-54.1	-45.4	171.8	0	0	0	0	0	111.6	D670 I673 M694 T695 V700 Y701 L702	D670-A698 HydrophobicContact CB-CB 4.45Å; D670-A698 VanDerWaalsContact OD1-CB 3.23Å; D670-A698 WeakPolarHBondContact OD1-CB 3.33Å; D670-A698 PolarHBondContact OD1-N 3.32Å; I673-A698 HydrophobicContact CB-CB 3.96Å; I673-A698 HydrophobicContact CG1-CB 3.85Å; I673-A698 HydrophobicContact CG2-CB 3.93Å; I673-A698 VanDerWaalsContact CG2-O 3.26Å; I673-A698 WeakPolarHBondContact CG2-O 3.42Å; M694-A698 HydrophobicContact CG-CB 3.87Å; M694-A698 HydrophobicContact SD-CB 4.27Å; T695-A698 WeakPolarHBondContact O-CB 3.38Å; T695-A698 PolarHBondContact O-N 3.1Å; A698-V700 VanDerWaalsContact C-N 3.34Å; A698-V700 PolarHBondContact O-N 3.42Å; A698-Y701 PolarHBondContact O-N 3.45Å; A698-L702 WeakPolarHBondContact O-CG 3.21Å; A698-L702 PolarHBondContact O-N 3.12Å
699	I	93.9	Very high	89.8	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.6	-37	178.9	-58.6	-53.5	0	0	0	111.7	M688 D696 M697 L702 T703 L712 M714 L720 S724 N727 L728	M688-I699 HydrophobicContact CE-CD1 3.68Å; D696-I699 PolarHBondContact O-N 2.92Å; M697-I699 VanDerWaalsContact C-N 3.26Å; M697-I699 PolarHBondContact O-N 3.41Å; I699-L702 HydrophobicContact CD1-CD1 4.07Å; I699-L702 PolarHBondContact O-N 3.11Å; I699-T703 HydrophobicContact CG2-CG2 4.08Å; I699-T703 WeakPolarHBondContact O-CB 3.41Å; I699-T703 WeakPolarHBondContact O-CG2 3.46Å; I699-T703 PolarHBondContact O-N 3.22Å; I699-T703 PolarHBondContact O-OG1 3.14Å; I699-L712 HydrophobicContact CD1-CD2 4.08Å; I699-M714 HydrophobicContact CD1-SD 4.03Å; I699-L720 HydrophobicContact CG1-CD2 4.27Å; I699-S724 WeakPolarHBondContact CG1-OG 3.28Å; I699-S724 WeakPolarHBondContact CG2-O 3.46Å; I699-N727 HydrophobicContact CG2-CB 4.12Å; I699-L728 HydrophobicContact CG2-CD1 4.48Å; I699-L728 HydrophobicContact CG2-CD2 3.62Å; I699-L728 HydrophobicContact CG2-CG 3.65Å
700	V	91.9	Very high	89.6	Confident	45 Å²	45	44.2 Å²	44.2	27%	0.273	23%	0.232	S	C	.	.	H	α-helix	trans	-59.3	-47.1	173.2	174	0	0	0	0	110.7	D696 M697 A698 L702 T703 T704 N727	D696-V700 PolarHBondContact O-N 3.19Å; D696-V700 VanDerWaalsContact O-N 3.14Å; M697-V700 WeakPolarHBondContact O-CB 3.5Å; M697-V700 PolarHBondContact O-N 3.24Å; M697-V700 VanDerWaalsContact O-N 3.11Å; A698-V700 VanDerWaalsContact C-N 3.34Å; A698-V700 PolarHBondContact O-N 3.42Å; V700-L702 PolarHBondContact O-N 3.31Å; V700-T703 PolarHBondContact O-N 3.05Å; V700-T703 PolarHBondContact O-OG1 3.11Å; V700-T704 PolarHBondContact O-N 3.16Å; V700-T704 PolarHBondContact O-OG1 2.89Å; V700-N727 WeakPolarHBondContact CG2-ND2 3.47Å
701	Y	92.1	Very high	89.7	Confident	90 Å²	90	45.5 Å²	45.5	35%	0.353	23%	0.233	S	C	.	.	H	α-helix	trans	-58.9	-48.3	176.7	-66.3	-44.7	0	0	0	112	D670 S677 M697 A698 T703 T704 G705	D670-Y701 HydrophobicContact CB-CD2 4.44Å; D670-Y701 HydrophobicContact CB-CE2 4.07Å; D670-Y701 WeakPolarHBondContact O-CD2 3.14Å; S677-Y701 WeakPolarHBondContact CB-O 3.28Å; M697-Y701 HydrophobicContact CB-CE2 4.43Å; M697-Y701 HydrophobicContact CE-CE1 4.38Å; M697-Y701 VanDerWaalsContact O-CD2 3.26Å; M697-Y701 WeakPolarHBondContact O-CD2 3.45Å; M697-Y701 PolarHBondContact O-N 2.8Å; A698-Y701 PolarHBondContact O-N 3.45Å; Y701-T703 PolarHBondContact O-N 3.06Å; Y701-T704 PolarHBondContact O-N 3.19Å; Y701-T704 VanDerWaalsContact O-N 3.11Å; Y701-G705 PolarHBondContact O-N 2.53Å
702	L	90.1	Very high	89.8	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.7	-47.3	178	-67.9	171.8	0	0	0	112.7	I673 L686 A698 I699 V700 T704 G705 C706 L712	I673-L702 HydrophobicContact CG2-CD1 4.11Å; I673-L702 HydrophobicContact CG2-CD2 3.69Å; I673-L702 HydrophobicContact CG2-CG 3.52Å; L686-L702 HydrophobicContact CD2-CD1 3.42Å; L686-L702 VanDerWaalsContact CD2-CD1 3.42Å; L686-L702 HydrophobicContact CD2-CD2 3.44Å; L686-L702 VanDerWaalsContact CD2-CD2 3.44Å; L686-L702 HydrophobicContact CD2-CG 4.04Å; A698-L702 WeakPolarHBondContact O-CG 3.21Å; A698-L702 PolarHBondContact O-N 3.12Å; I699-L702 HydrophobicContact CD1-CD1 4.07Å; I699-L702 PolarHBondContact O-N 3.11Å; V700-L702 PolarHBondContact O-N 3.31Å; L702-T704 PolarHBondContact O-N 2.89Å; L702-G705 PolarHBondContact O-N 2.58Å; L702-C706 PolarHBondContact O-N 3.05Å; L702-L712 HydrophobicContact CD1-CD1 4.19Å
703	T	86.9	Confident	89.9	Confident	30 Å²	30	43.4 Å²	43.4	18%	0.184	22%	0.218	C	C	.	.	H	α-helix	trans	-65.1	-20	-179.2	62.2	0	0	0	0	112.9	I699 V700 Y701 N727 L728 I731	I699-T703 HydrophobicContact CG2-CG2 4.08Å; I699-T703 WeakPolarHBondContact O-CB 3.41Å; I699-T703 WeakPolarHBondContact O-CG2 3.46Å; I699-T703 PolarHBondContact O-N 3.22Å; I699-T703 PolarHBondContact O-OG1 3.14Å; V700-T703 PolarHBondContact O-N 3.05Å; V700-T703 PolarHBondContact O-OG1 3.11Å; Y701-T703 PolarHBondContact O-N 3.06Å; T703-N727 HydrophobicContact CG2-CB 4.29Å; T703-N727 WeakPolarHBondContact CG2-O 3.43Å; T703-L728 HydrophobicContact CG2-CD2 4.16Å; T703-I731 HydrophobicContact CG2-CD1 3.71Å; T703-I731 HydrophobicContact CG2-CG1 3.65Å
704	T	86.1	Confident	90	Very high	102 Å²	102	39 Å²	39	63%	0.626	20%	0.198	S	C	*	.	H	α-helix	trans	-90.8	-40.1	-179.9	-51.9	0	0	0	0	111.9	V700 Y701 L702	V700-T704 PolarHBondContact O-N 3.16Å; V700-T704 PolarHBondContact O-OG1 2.89Å; Y701-T704 PolarHBondContact O-N 3.19Å; Y701-T704 VanDerWaalsContact O-N 3.11Å; L702-T704 PolarHBondContact O-N 2.89Å
705	G	81.8	Confident	89.8	Confident	17 Å²	17	39.3 Å²	39.3	18%	0.175	20%	0.2	C	C	.	.	H	α-helix	trans	-100.2	-36.5	-173.3	0	0	0	0	0	116	S677 Y701 L702 Q707	S677-G705 WeakPolarHBondContact O-CA 3.38Å; Y701-G705 PolarHBondContact O-N 2.53Å; L702-G705 PolarHBondContact O-N 2.58Å; G705-Q707 PolarHBondContact O-N 3.42Å
706	C	83.5	Confident	89.5	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.007	20%	0.201	C	C	.	.			trans	-103.9	77.4	-169.9	-61.9	0	0	0	0	111.8	L702 Y708	L702-C706 PolarHBondContact O-N 3.05Å; C706-Y708 VanDerWaalsContact C-N 3.29Å; C706-Y708 PolarHBondContact O-N 3.47Å
707	Q	80.6	Confident	89.3	Confident	116 Å²	116	38.8 Å²	38.8	54%	0.542	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-17.3	-174.4	-63.3	-179.9	10.2	0	0	114.3	G705 P733	G705-Q707 PolarHBondContact O-N 3.42Å; Q707-P733 WeakPolarHBondContact O-CD 3.35Å
708	Y	85.1	Confident	89	Confident	139 Å²	139	42.3 Å²	42.3	55%	0.545	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	12.8	-177.3	-60.2	-74.7	0	0	0	113.8	L683 L684 C706 L710	L683-Y708 CarbonylContact O-C 3.52Å; L684-Y708 WeakPolarHBondContact CD2-O 3.24Å; C706-Y708 VanDerWaalsContact C-N 3.29Å; C706-Y708 PolarHBondContact O-N 3.47Å; Y708-L710 PolarHBondContact O-N 2.84Å
709	L	87.9	Confident	88.8	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.228	C	C	.	.			trans	-62.7	127.4	-178.7	-168.1	68	0	0	0	110.1	L683 L686 L712 L735	L683-L709 HydrophobicContact CD2-CD1 4.31Å; L683-L709 HydrophobicContact CG-CD1 4.36Å; L683-L709 WeakPolarHBondContact O-CA 3.22Å; L683-L709 PolarHBondContact O-N 3.23Å; L686-L709 HydrophobicContact CB-CD1 4.03Å; L709-L712 HydrophobicContact CD2-CB 4.23Å; L709-L712 HydrophobicContact CD2-CD1 4.47Å; L709-L735 HydrophobicContact CB-CD2 4.2Å; L709-L735 HydrophobicContact CD2-CD2 4.08Å; L709-L735 HydrophobicContact CG-CD2 3.9Å; L709-L735 WeakPolarHBondContact O-CD2 3.37Å
710	L	88.8	Confident	88.8	Confident	51 Å²	51	46.9 Å²	46.9	27%	0.267	23%	0.228	S	C	.	.			trans	-112.5	-34.3	179.5	-62.2	179.3	0	0	0	111.9	L684 Y708 N736 T737	L684-L710 HydrophobicContact CD2-CD1 4.42Å; L684-L710 PolarHBondContact O-N 3.09Å; Y708-L710 PolarHBondContact O-N 2.84Å; L710-N736 HydrophobicContact CB-CB 4.45Å; L710-N736 WeakPolarHBondContact O-CA 3.26Å; L710-N736 PolarHBondContact O-N 2.87Å; L710-T737 PolarHBondContact O-N 3.46Å
711	E	91.4	Very high	88.8	Confident	57 Å²	57	46.9 Å²	46.9	27%	0.266	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	130.2	179.6	-50.1	-178.9	-165.6	0	0	111.2	L684 R685 L686 T737	L684-E711 PolarHBondContact O-N 3.43Å; R685-E711 WeakPolarHBondContact CA-O 3.29Å; R685-E711 HydrophobicContact CB-CB 4.13Å; R685-E711 WeakPolarHBondContact CD-OE1 3.36Å; R685-E711 WeakPolarHBondContact CD-OE2 3.47Å; R685-E711 HydrophobicContact CG-CB 3.8Å; R685-E711 HydrophobicContact CG-CG 3.85Å; R685-E711 IonicContact NH1-OE1 2.68Å; L686-E711 PolarHBondContact N-O 3.09Å; E711-T737 WeakPolarHBondContact CA-O 3.33Å
712	L	94.1	Very high	88.8	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	122.7	175.3	179.7	61.4	0	0	0	110.3	L686 I699 L702 L709 M714 L728 L735 T737 I738 R739	L686-L712 HydrophobicContact CB-CD1 4.13Å; L686-L712 HydrophobicContact CD2-CD1 3.94Å; L686-L712 HydrophobicContact CG-CD1 4.13Å; L686-L712 WeakPolarHBondContact O-CA 3.42Å; I699-L712 HydrophobicContact CD1-CD2 4.08Å; L702-L712 HydrophobicContact CD1-CD1 4.19Å; L709-L712 HydrophobicContact CD2-CB 4.23Å; L709-L712 HydrophobicContact CD2-CD1 4.47Å; L712-M714 HydrophobicContact CD2-SD 4.08Å; L712-L728 HydrophobicContact CD2-CD1 3.98Å; L712-L728 HydrophobicContact CD2-CD2 3.8Å; L712-L735 HydrophobicContact CB-CD1 4.27Å; L712-T737 PolarHBondContact N-O 2.92Å; L712-I738 WeakPolarHBondContact O-CA 3.4Å; L712-R739 PolarHBondContact O-N 2.78Å
713	D	92.3	Very high	88.9	Confident	19 Å²	19	54.1 Å²	54.1	10%	0.102	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117	167.9	-165.2	-15.8	0	0	0	109.7	L686 K687 M688 S715 R739	L686-D713 PolarHBondContact O-N 2.97Å; K687-D713 HydrophobicContact CB-CB 4.06Å; K687-D713 HydrophobicContact CD-CB 4.4Å; K687-D713 HydrophobicContact CG-CB 3.79Å; M688-D713 WeakPolarHBondContact CG-O 3.37Å; M688-D713 PolarHBondContact N-O 3.17Å; D713-S715 VanDerWaalsContact OD1-CB 3.31Å; D713-S715 WeakPolarHBondContact OD1-CB 3.23Å; D713-S715 PolarHBondContact OD1-N 2.96Å; D713-S715 VanDerWaalsContact OD1-N 3.09Å; D713-S715 PolarHBondContact OD1-OG 3.18Å; D713-R739 HydrophobicContact CB-CB 4.29Å; D713-R739 WeakPolarHBondContact OD1-CB 3.44Å
714	M	94.1	Very high	89	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.251	C	S	.	.			trans	-128.5	23.7	179.3	58.3	-178.3	-107.1	0	0	111.3	M688 I699 L712 C717 L720 L725 L728 R739 I740 C743 I746	M688-M714 HydrophobicContact CE-CB 3.68Å; M688-M714 HydrophobicContact CG-CB 4.38Å; I699-M714 HydrophobicContact CD1-SD 4.03Å; L712-M714 HydrophobicContact CD2-SD 4.08Å; M714-C717 WeakPolarHBondContact O-CB 3.27Å; M714-C717 PolarHBondContact O-N 3.47Å; M714-L720 HydrophobicContact CB-CD1 3.76Å; M714-L720 HydrophobicContact CE-CB 4.18Å; M714-L720 HydrophobicContact CE-CD1 3.39Å; M714-L720 HydrophobicContact CE-CG 4.37Å; M714-L720 HydrophobicContact CG-CD1 4.16Å; M714-L720 HydrophobicContact SD-CD1 3.95Å; M714-L725 HydrophobicContact CE-CD2 4.1Å; M714-L728 HydrophobicContact SD-CD1 4.2Å; M714-R739 PolarHBondContact N-O 2.88Å; M714-I740 HydrophobicContact CE-CG1 4.45Å; M714-I740 HydrophobicContact CE-CG2 4.07Å; M714-I740 HydrophobicContact CG-CG1 4.3Å; M714-C743 PolarHBondContact O-SG 3.48Å; M714-I746 HydrophobicContact CE-CD1 3.23Å
715	S	90.8	Very high	89.2	Confident	7 Å²	7	47.9 Å²	47.9	5%	0.049	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	150.5	179.5	-52.7	0	0	0	0	111.5	A689 A690 D713 C717 R739 N741	A689-S715 CarbonylContact C-O 3.49Å; A689-S715 WeakPolarHBondContact CA-O 3.28Å; A689-S715 WeakPolarHBondContact CB-O 3.27Å; A690-S715 PolarHBondContact N-O 3.36Å; D713-S715 VanDerWaalsContact OD1-CB 3.31Å; D713-S715 WeakPolarHBondContact OD1-CB 3.23Å; D713-S715 PolarHBondContact OD1-N 2.96Å; D713-S715 VanDerWaalsContact OD1-N 3.09Å; D713-S715 PolarHBondContact OD1-OG 3.18Å; S715-C717 PolarHBondContact O-N 2.91Å; S715-R739 WeakPolarHBondContact OG-CB 3.46Å; S715-N741 CarbonylContact C-O 3.38Å; S715-N741 VanDerWaalsContact CA-O 3.26Å; S715-N741 WeakPolarHBondContact CA-O 3.14Å; S715-N741 WeakPolarHBondContact CB-O 3.29Å; S715-N741 PolarHBondContact OG-N 2.93Å
716	D	87.3	Confident	89.6	Confident	54 Å²	54	54 Å²	54	29%	0.289	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	12.6	-178.9	-64.8	-64.4	0	0	0	115.5	A690 R718 N741 N742	A690-D716 HydrophobicContact CB-CB 3.79Å; D716-R718 PolarHBondContact O-N 3.06Å; D716-N741 PolarHBondContact N-O 3.48Å; D716-N742 WeakPolarHBondContact OD1-CB 3.28Å; D716-N742 PolarHBondContact OD1-ND2 3.07Å
717	C	89.8	Confident	89.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	25%	0.249	C	C	.	.			trans	-84	87.1	171.5	-71.3	0	0	0	0	110.6	M688 M714 S715 L719 L720	M688-C717 PolarHBondContact O-SG 3.41Å; M714-C717 WeakPolarHBondContact O-CB 3.27Å; M714-C717 PolarHBondContact O-N 3.47Å; S715-C717 PolarHBondContact O-N 2.91Å; C717-L719 VanDerWaalsContact C-N 3.26Å; C717-L719 PolarHBondContact O-N 3.4Å; C717-L720 HydrophobicContact CB-CD1 3.37Å; C717-L720 HydrophobicContact CB-CG 3.7Å; C717-L720 PolarHBondContact O-N 3.01Å
718	R	87.6	Confident	90.1	Very high	158 Å²	158	49.8 Å²	49.8	60%	0.596	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.8	-169.7	-60.8	-179.7	-177.1	162.4	-0.2	115.6	D716	D716-R718 PolarHBondContact O-N 3.06Å
719	L	89.6	Confident	90.1	Very high	95 Å²	95	46.8 Å²	46.8	50%	0.497	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-1.7	-179.8	-59.5	179.2	0	0	0	113.5	P692 M694 T695 C717	P692-L719 WeakPolarHBondContact O-CD1 3.33Å; M694-L719 WeakPolarHBondContact O-CB 3.36Å; T695-L719 HydrophobicContact CG2-CB 4.27Å; T695-L719 HydrophobicContact CG2-CD1 4.13Å; C717-L719 VanDerWaalsContact C-N 3.26Å; C717-L719 PolarHBondContact O-N 3.4Å
720	L	92.6	Very high	89.8	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	24%	0.242	C	C	.	.			trans	-78.4	138.6	173.7	-59.7	179.1	0	0	0	110.5	M688 T695 I699 M714 C717 G745 I746	M688-L720 HydrophobicContact CE-CD1 3.97Å; T695-L720 WeakPolarHBondContact O-CD2 3.31Å; I699-L720 HydrophobicContact CG1-CD2 4.27Å; M714-L720 HydrophobicContact CB-CD1 3.76Å; M714-L720 HydrophobicContact CE-CB 4.18Å; M714-L720 HydrophobicContact CE-CD1 3.39Å; M714-L720 HydrophobicContact CE-CG 4.37Å; M714-L720 HydrophobicContact CG-CD1 4.16Å; M714-L720 HydrophobicContact SD-CD1 3.95Å; C717-L720 HydrophobicContact CB-CD1 3.37Å; C717-L720 HydrophobicContact CB-CG 3.7Å; C717-L720 PolarHBondContact O-N 3.01Å; L720-G745 CarbonylContact O-C 3.55Å; L720-G745 VanDerWaalsContact O-CA 3.27Å; L720-G745 WeakPolarHBondContact O-CA 3.27Å; L720-I746 HydrophobicContact CB-CD1 4.08Å
721	T	93.1	Very high	89.3	Confident	46 Å²	46	51.8 Å²	51.8	28%	0.282	23%	0.232	S	C	.	.			trans	-121.9	176.7	-179.3	79.9	0	0	0	0	112.2	D696 R723 S724 G745	D696-T721 PolarHBondContact OD1-N 2.96Å; D696-T721 PolarHBondContact OD1-OG1 3.5Å; D696-T721 PolarHBondContact OD2-OG1 3.43Å; T721-R723 PolarHBondContact O-N 3.47Å; T721-R723 WeakPolarHBondContact OG1-CB 3.34Å; T721-R723 PolarHBondContact OG1-N 2.91Å; T721-S724 VanDerWaalsContact O-CB 3.22Å; T721-S724 WeakPolarHBondContact O-CB 3.38Å; T721-S724 PolarHBondContact O-N 3.32Å; T721-G745 VanDerWaalsContact CA-O 3.29Å; T721-G745 WeakPolarHBondContact CA-O 3.32Å
722	D	91.6	Very high	88.3	Confident	62 Å²	62	53.4 Å²	53.4	33%	0.332	25%	0.249	S	C	.	.	H	α-helix	trans	-49.4	-25.2	171.7	-71.9	-3	0	0	0	114.4	S724 L725 K726 G745 I746 S747 A750	D722-S724 VanDerWaalsContact C-N 3.31Å; D722-S724 PolarHBondContact O-N 3.42Å; D722-L725 PolarHBondContact O-N 2.83Å; D722-K726 PolarHBondContact O-N 3.47Å; D722-K726 VanDerWaalsContact O-N 3.08Å; D722-G745 PolarHBondContact N-O 2.75Å; D722-I746 WeakPolarHBondContact OD1-CA 2.95Å; D722-S747 PolarHBondContact OD1-N 3.42Å; D722-S747 PolarHBondContact OD1-OG 3.33Å; D722-S747 VanDerWaalsContact OD1-OG 3.07Å; D722-S747 WeakPolarHBondContact OD2-CB 3.16Å; D722-S747 PolarHBondContact OD2-OG 3.42Å; D722-A750 HydrophobicContact CB-CB 3.79Å; D722-A750 VanDerWaalsContact OD1-CB 3.23Å; D722-A750 WeakPolarHBondContact OD1-CB 3.32Å
723	R	91.3	Very high	87.5	Confident	180 Å²	180	56.1 Å²	56.1	68%	0.679	27%	0.267	S	S	*	.	H	α-helix	trans	-62.1	-38.1	175.4	-65	178.7	178.2	176	1.2	111.7	D696 T721 L725 K726 N727	D696-R723 HydrophobicContact CB-CB 4.4Å; T721-R723 PolarHBondContact O-N 3.47Å; T721-R723 WeakPolarHBondContact OG1-CB 3.34Å; T721-R723 PolarHBondContact OG1-N 2.91Å; R723-L725 PolarHBondContact O-N 3.38Å; R723-K726 WeakPolarHBondContact O-CB 3.31Å; R723-K726 PolarHBondContact O-N 3.24Å; R723-N727 PolarHBondContact O-N 3.29Å; R723-N727 PolarHBondContact O-ND2 3.28Å
724	S	90.6	Very high	87	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-53.2	-53	172.9	-76.9	0	0	0	0	111.3	D696 I699 T721 D722 K726 N727 L728	D696-S724 WeakPolarHBondContact OD1-CB 3.45Å; D696-S724 PolarHBondContact OD1-N 3.43Å; D696-S724 PolarHBondContact OD1-OG 3.07Å; I699-S724 WeakPolarHBondContact CG1-OG 3.28Å; I699-S724 WeakPolarHBondContact CG2-O 3.46Å; T721-S724 VanDerWaalsContact O-CB 3.22Å; T721-S724 WeakPolarHBondContact O-CB 3.38Å; T721-S724 PolarHBondContact O-N 3.32Å; D722-S724 VanDerWaalsContact C-N 3.31Å; D722-S724 PolarHBondContact O-N 3.42Å; S724-K726 VanDerWaalsContact C-N 3.3Å; S724-K726 PolarHBondContact O-N 3.36Å; S724-N727 PolarHBondContact O-N 3.18Å; S724-L728 PolarHBondContact O-N 2.98Å
725	L	90.3	Very high	86.5	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66.7	-33	-178.3	-57.1	-165.4	0	0	0	112.8	M714 D722 R723 N727 L728 R729 I740 I746 A750 A751 L754	M714-L725 HydrophobicContact CE-CD2 4.1Å; D722-L725 PolarHBondContact O-N 2.83Å; R723-L725 PolarHBondContact O-N 3.38Å; L725-N727 VanDerWaalsContact C-N 3.29Å; L725-N727 PolarHBondContact O-N 2.94Å; L725-L728 HydrophobicContact CD2-CD1 3.99Å; L725-L728 PolarHBondContact O-N 3.47Å; L725-R729 WeakPolarHBondContact O-CG 3.24Å; L725-R729 PolarHBondContact O-N 2.9Å; L725-I740 HydrophobicContact CD1-CD1 4.27Å; L725-I740 HydrophobicContact CD2-CD1 3.66Å; L725-I746 HydrophobicContact CD1-CG2 3.45Å; L725-I746 VanDerWaalsContact CD1-CG2 3.45Å; L725-I746 HydrophobicContact CD2-CD1 4.23Å; L725-I746 HydrophobicContact CG-CD1 4.29Å; L725-I746 HydrophobicContact CG-CG2 4.07Å; L725-A750 HydrophobicContact CD1-CB 4.17Å; L725-A751 HydrophobicContact CD1-CB 3.78Å; L725-L754 HydrophobicContact CB-CD2 4.44Å; L725-L754 HydrophobicContact CD2-CD2 3.86Å
726	K	89.2	Confident	86.1	Confident	145 Å²	145	61.5 Å²	61.5	63%	0.63	30%	0.299	S	S	*	.	H	α-helix	trans	-62.5	-38.1	172.5	-172.5	179.9	179.2	-178.7	0	111.5	D722 R723 S724	D722-K726 PolarHBondContact O-N 3.47Å; D722-K726 VanDerWaalsContact O-N 3.08Å; R723-K726 WeakPolarHBondContact O-CB 3.31Å; R723-K726 PolarHBondContact O-N 3.24Å; S724-K726 VanDerWaalsContact C-N 3.3Å; S724-K726 PolarHBondContact O-N 3.36Å
727	N	86.9	Confident	85.9	Confident	25 Å²	25	59.9 Å²	59.9	13%	0.134	29%	0.291	C	S	.	.	H	α-helix	trans	-73.4	-39.9	176.6	-73.3	-37	0	0	0	112.4	I699 V700 T703 R723 S724 L725 R729 K730	I699-N727 HydrophobicContact CG2-CB 4.12Å; V700-N727 WeakPolarHBondContact CG2-ND2 3.47Å; T703-N727 HydrophobicContact CG2-CB 4.29Å; T703-N727 WeakPolarHBondContact CG2-O 3.43Å; R723-N727 PolarHBondContact O-N 3.29Å; R723-N727 PolarHBondContact O-ND2 3.28Å; S724-N727 PolarHBondContact O-N 3.18Å; L725-N727 VanDerWaalsContact C-N 3.29Å; L725-N727 PolarHBondContact O-N 2.94Å; N727-R729 PolarHBondContact O-N 3.06Å; N727-R729 VanDerWaalsContact O-N 3.16Å; N727-K730 VanDerWaalsContact O-CB 3.29Å; N727-K730 WeakPolarHBondContact O-CB 3.45Å; N727-K730 PolarHBondContact O-N 3.39Å; N727-K730 PolarHBondContact OD1-NZ 3.45Å
728	L	88	Confident	85.9	Confident	5 Å²	5	59.9 Å²	59.9	3%	0.026	29%	0.291	C	S	.	.	H	α-helix	trans	-59.2	-28.3	176.3	-70.3	176.7	0	0	0	113.3	I699 T703 L712 M714 S724 L725 K730 I731 L735 I738 L754	I699-L728 HydrophobicContact CG2-CD1 4.48Å; I699-L728 HydrophobicContact CG2-CD2 3.62Å; I699-L728 HydrophobicContact CG2-CG 3.65Å; T703-L728 HydrophobicContact CG2-CD2 4.16Å; L712-L728 HydrophobicContact CD2-CD1 3.98Å; L712-L728 HydrophobicContact CD2-CD2 3.8Å; M714-L728 HydrophobicContact SD-CD1 4.2Å; S724-L728 PolarHBondContact O-N 2.98Å; L725-L728 HydrophobicContact CD2-CD1 3.99Å; L725-L728 PolarHBondContact O-N 3.47Å; L728-K730 PolarHBondContact O-N 3.5Å; L728-K730 VanDerWaalsContact O-N 3.14Å; L728-I731 HydrophobicContact CD2-CD1 3.64Å; L728-I731 WeakPolarHBondContact O-CB 3.47Å; L728-I731 PolarHBondContact O-N 2.99Å; L728-I731 VanDerWaalsContact O-N 3.13Å; L728-L735 HydrophobicContact CD2-CD1 4.43Å; L728-I738 HydrophobicContact CD1-CD1 3.62Å; L728-L754 HydrophobicContact CB-CD1 4.39Å; L728-L754 HydrophobicContact CB-CD2 4.25Å; L728-L754 HydrophobicContact CD1-CD2 4.15Å
729	R	84.2	Confident	85.9	Confident	75 Å²	75	55.6 Å²	55.6	28%	0.283	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.2	172.5	-68.1	178.9	-158.7	166.8	16.5	113.4	L725 N727 I731 A750 K753 L754 R757	L725-R729 WeakPolarHBondContact O-CG 3.24Å; L725-R729 PolarHBondContact O-N 2.9Å; N727-R729 PolarHBondContact O-N 3.06Å; N727-R729 VanDerWaalsContact O-N 3.16Å; R729-I731 VanDerWaalsContact C-N 3.31Å; R729-A750 PolarHBondContact NH2-O 3.03Å; R729-K753 VanDerWaalsContact CZ-CB 3.43Å; R729-L754 HydrophobicContact CG-CD1 3.74Å; R729-R757 VanDerWaalsContact O-CZ 3.28Å; R729-R757 PolarHBondContact O-NH1 3.08Å; R729-R757 PolarHBondContact O-NH2 3.26Å
730	K	81.3	Confident	85.9	Confident	148 Å²	148	51 Å²	51	64%	0.643	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-15	177.4	-60.7	173	-178.3	163.6	0	112.5	N727 L728	N727-K730 VanDerWaalsContact O-CB 3.29Å; N727-K730 WeakPolarHBondContact O-CB 3.45Å; N727-K730 PolarHBondContact O-N 3.39Å; N727-K730 PolarHBondContact OD1-NZ 3.45Å; L728-K730 PolarHBondContact O-N 3.5Å; L728-K730 VanDerWaalsContact O-N 3.14Å
731	I	80.1	Confident	85.5	Confident	8 Å²	8	53 Å²	53	4%	0.041	26%	0.261	C	S	.	.			trans	-68.5	138.1	-178.1	-58.3	-177.8	0	0	0	110.5	T703 L728 R729 P733 R757	T703-I731 HydrophobicContact CG2-CD1 3.71Å; T703-I731 HydrophobicContact CG2-CG1 3.65Å; L728-I731 HydrophobicContact CD2-CD1 3.64Å; L728-I731 WeakPolarHBondContact O-CB 3.47Å; L728-I731 PolarHBondContact O-N 2.99Å; L728-I731 VanDerWaalsContact O-N 3.13Å; R729-I731 VanDerWaalsContact C-N 3.31Å; I731-P733 WeakPolarHBondContact CG2-O 3.24Å; I731-R757 PolarHBondContact O-NH2 2.53Å; I731-R757 VanDerWaalsContact O-NH2 3.13Å
732	S	68.7	Low	85	Confident	91 Å²	91	52.1 Å²	52.1	64%	0.636	26%	0.255	S	S	*	.	S	Bend	trans	-140.1	124.4	172.1	64.8	0	0	0	0	110
733	P	78.5	Confident	84.7	Confident	61 Å²	61	49.4 Å²	49.4	40%	0.396	24%	0.241	S	C	.	.	S	Bend	cis	-64.6	158.3	1.1	28.2	-36.7	0	0	0	113.7	Q707 I731	Q707-P733 WeakPolarHBondContact O-CD 3.35Å; I731-P733 WeakPolarHBondContact CG2-O 3.24Å
734	P	80.8	Confident	84.4	Confident	61 Å²	61	45.9 Å²	45.9	40%	0.396	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-61.1	152.2	174.4	25.9	-32.5	0	0	0	111.6	R757	P734-R757 VanDerWaalsContact CB-O 3.24Å; P734-R757 WeakPolarHBondContact CB-O 3.42Å
735	L	84.6	Confident	84	Confident	7 Å²	7	47.4 Å²	47.4	4%	0.037	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-60.3	141.5	173.9	-64.2	171.8	0	0	0	110.3	L709 L712 L728 I738 V758	L709-L735 HydrophobicContact CB-CD2 4.2Å; L709-L735 HydrophobicContact CD2-CD2 4.08Å; L709-L735 HydrophobicContact CG-CD2 3.9Å; L709-L735 WeakPolarHBondContact O-CD2 3.37Å; L712-L735 HydrophobicContact CB-CD1 4.27Å; L728-L735 HydrophobicContact CD2-CD1 4.43Å; L735-I738 HydrophobicContact CD1-CB 4.43Å; L735-I738 HydrophobicContact CD1-CD1 3.96Å; L735-I738 HydrophobicContact CD1-CG1 4.38Å; L735-V758 HydrophobicContact CB-CG1 4.39Å; L735-V758 HydrophobicContact CB-CG2 4.2Å; L735-V758 WeakPolarHBondContact O-CA 3.28Å; L735-V758 WeakPolarHBondContact O-CG1 3.36Å
736	N	82.9	Confident	83.9	Confident	71 Å²	71	47.6 Å²	47.6	38%	0.38	26%	0.256	S	S	.	.	S	Bend	trans	-82.4	-41.6	170.3	-75.8	-13.2	0	0	0	111.3	L710 V758 S759 H760	L710-N736 HydrophobicContact CB-CB 4.45Å; L710-N736 WeakPolarHBondContact O-CA 3.26Å; L710-N736 PolarHBondContact O-N 2.87Å; N736-V758 WeakPolarHBondContact O-CG1 3.47Å; N736-S759 WeakPolarHBondContact O-CB 3.22Å; N736-S759 PolarHBondContact O-N 3.34Å; N736-H760 PolarHBondContact O-N 3.21Å
737	T	81.9	Confident	83.8	Confident	19 Å²	19	42.3 Å²	42.3	12%	0.117	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	131.5	-177	-52.9	0	0	0	0	110.6	L710 E711 L712 H760	L710-T737 PolarHBondContact O-N 3.46Å; E711-T737 WeakPolarHBondContact CA-O 3.33Å; L712-T737 PolarHBondContact N-O 2.92Å; T737-H760 CarbonylContact C-O 3.36Å; T737-H760 VanDerWaalsContact CA-O 3.26Å; T737-H760 WeakPolarHBondContact CA-O 3.35Å; T737-H760 HydrophobicContact CG2-CB 4.14Å
738	I	89.5	Confident	83.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	133.1	170	-162	171.9	0	0	0	111.4	L712 L728 L735 I740 L754 V758 H760 W761 E762	L712-I738 WeakPolarHBondContact O-CA 3.4Å; L728-I738 HydrophobicContact CD1-CD1 3.62Å; L735-I738 HydrophobicContact CD1-CB 4.43Å; L735-I738 HydrophobicContact CD1-CD1 3.96Å; L735-I738 HydrophobicContact CD1-CG1 4.38Å; I738-I740 HydrophobicContact CD1-CD1 3.75Å; I738-I740 HydrophobicContact CD1-CG1 4Å; I738-I740 HydrophobicContact CG1-CD1 4.06Å; I738-I740 HydrophobicContact CG1-CG1 3.86Å; I738-I740 HydrophobicContact CG2-CD1 4.39Å; I738-L754 HydrophobicContact CD1-CD2 3.54Å; I738-V758 HydrophobicContact CB-CG1 4.35Å; I738-V758 HydrophobicContact CG2-CB 4.41Å; I738-V758 HydrophobicContact CG2-CG1 3.95Å; I738-V758 HydrophobicContact CG2-CG2 4.26Å; I738-H760 PolarHBondContact N-O 2.61Å; I738-W761 HydrophobicContact CG2-CB 4.4Å; I738-W761 HydrophobicContact CG2-CE3 4.13Å; I738-W761 WeakPolarHBondContact O-CA 3.41Å; I738-E762 PolarHBondContact O-N 3.26Å
739	R	87.8	Confident	83.3	Confident	68 Å²	68	53.2 Å²	53.2	26%	0.257	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124.2	172.7	-60.4	-168.3	174.7	90.7	8.1	110.4	L712 D713 M714 S715 E762	L712-R739 PolarHBondContact O-N 2.78Å; D713-R739 HydrophobicContact CB-CB 4.29Å; D713-R739 WeakPolarHBondContact OD1-CB 3.44Å; M714-R739 PolarHBondContact N-O 2.88Å; S715-R739 WeakPolarHBondContact OG-CB 3.46Å; R739-E762 HydrophobicContact CB-CB 4.47Å; R739-E762 VanDerWaalsContact CD-OE2 3.24Å; R739-E762 WeakPolarHBondContact CD-OE2 3.41Å; R739-E762 HydrophobicContact CG-CB 4.14Å; R739-E762 HydrophobicContact CG-CG 4.35Å; R739-E762 IonicContact CZ-OE1 2.77Å; R739-E762 IonicContact NE-OE1 3.13Å; R739-E762 PolarHBondContact NE-OE1 3.29Å; R739-E762 IonicContact NE-OE2 3.6Å; R739-E762 PolarHBondContact NE-OE2 3.13Å; R739-E762 VanDerWaalsContact NE-OE2 3.1Å; R739-E762 IonicContact NH2-OE1 3.83Å; R739-E762 PolarHBondContact NH2-OE1 2.91Å
740	I	89.4	Confident	83.3	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	48.7	-175.7	-44.1	162	0	0	0	108.5	M714 L725 I738 C743 I746 W761 E762 Y763	M714-I740 HydrophobicContact CE-CG1 4.45Å; M714-I740 HydrophobicContact CE-CG2 4.07Å; M714-I740 HydrophobicContact CG-CG1 4.3Å; L725-I740 HydrophobicContact CD1-CD1 4.27Å; L725-I740 HydrophobicContact CD2-CD1 3.66Å; I738-I740 HydrophobicContact CD1-CD1 3.75Å; I738-I740 HydrophobicContact CD1-CG1 4Å; I738-I740 HydrophobicContact CG1-CD1 4.06Å; I738-I740 HydrophobicContact CG1-CG1 3.86Å; I738-I740 HydrophobicContact CG2-CD1 4.39Å; I740-C743 HydrophobicContact CG2-CB 3.71Å; I740-I746 HydrophobicContact CG2-CB 4.45Å; I740-I746 HydrophobicContact CG2-CD1 3.52Å; I740-I746 HydrophobicContact CG2-CG2 4.29Å; I740-W761 HydrophobicContact CD1-CZ3 4.3Å; I740-E762 PolarHBondContact N-O 3.2Å; I740-Y763 HydrophobicContact CB-CD2 4.38Å; I740-Y763 HydrophobicContact CG2-CD2 4.48Å
741	N	85.9	Confident	83.4	Confident	40 Å²	40	42.9 Å²	42.9	21%	0.214	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	141.1	178.5	-61.8	-31.3	0	0	0	109.6	S715 D716 C743 Y763 S764	S715-N741 CarbonylContact C-O 3.38Å; S715-N741 VanDerWaalsContact CA-O 3.26Å; S715-N741 WeakPolarHBondContact CA-O 3.14Å; S715-N741 WeakPolarHBondContact CB-O 3.29Å; S715-N741 PolarHBondContact OG-N 2.93Å; D716-N741 PolarHBondContact N-O 3.48Å; N741-C743 PolarHBondContact O-N 2.91Å; N741-C743 VanDerWaalsContact O-N 3.08Å; N741-C743 PolarHBondContact O-SG 3.19Å; N741-Y763 WeakPolarHBondContact OD1-CA 2.97Å; N741-Y763 PolarHBondContact OD1-N 3.1Å; N741-S764 PolarHBondContact OD1-N 2.89Å
742	N	82.6	Confident	83.4	Confident	29 Å²	29	44.4 Å²	44.4	16%	0.155	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	26.3	173	-51.7	-9.9	0	0	0	115.2	D716 T744 S764 D766	D716-N742 WeakPolarHBondContact OD1-CB 3.28Å; D716-N742 PolarHBondContact OD1-ND2 3.07Å; N742-T744 PolarHBondContact O-N 2.86Å; N742-S764 PolarHBondContact N-O 3.5Å; N742-D766 PolarHBondContact OD1-O 3.19Å
743	C	85.1	Confident	84.1	Confident	4 Å²	4	46 Å²	46	3%	0.027	24%	0.244	C	C	.	.			trans	-87.2	86	175.5	-63.6	0	0	0	0	109.8	M714 I740 N741 G745 I746	M714-C743 PolarHBondContact O-SG 3.48Å; I740-C743 HydrophobicContact CG2-CB 3.71Å; N741-C743 PolarHBondContact O-N 2.91Å; N741-C743 VanDerWaalsContact O-N 3.08Å; N741-C743 PolarHBondContact O-SG 3.19Å; C743-G745 PolarHBondContact O-N 3.26Å; C743-I746 HydrophobicContact CB-CB 4.22Å; C743-I746 HydrophobicContact CB-CD1 3.87Å; C743-I746 HydrophobicContact CB-CG1 4.19Å; C743-I746 PolarHBondContact O-N 3.09Å
744	T	83.3	Confident	84.2	Confident	106 Å²	106	43.3 Å²	43.3	65%	0.65	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.9	-171.2	53.6	0	0	0	0	115.1	N742 I746	N742-T744 PolarHBondContact O-N 2.86Å; T744-I746 VanDerWaalsContact C-N 3.33Å
745	G	83.9	Confident	84.2	Confident	32 Å²	32	43.3 Å²	43.3	33%	0.33	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-6.2	176.9	0	0	0	0	0	114.7	L720 T721 D722 C743	L720-G745 CarbonylContact O-C 3.55Å; L720-G745 VanDerWaalsContact O-CA 3.27Å; L720-G745 WeakPolarHBondContact O-CA 3.27Å; T721-G745 VanDerWaalsContact CA-O 3.29Å; T721-G745 WeakPolarHBondContact CA-O 3.32Å; D722-G745 PolarHBondContact N-O 2.75Å; C743-G745 PolarHBondContact O-N 3.26Å
746	I	87.7	Confident	83.7	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.026	26%	0.255	C	S	.	.	S	Bend	trans	-103.8	120.2	-178.8	-65.5	176.6	0	0	0	109.4	M714 L720 D722 L725 I740 C743 T744 A751 Y763	M714-I746 HydrophobicContact CE-CD1 3.23Å; L720-I746 HydrophobicContact CB-CD1 4.08Å; D722-I746 WeakPolarHBondContact OD1-CA 2.95Å; L725-I746 HydrophobicContact CD1-CG2 3.45Å; L725-I746 VanDerWaalsContact CD1-CG2 3.45Å; L725-I746 HydrophobicContact CD2-CD1 4.23Å; L725-I746 HydrophobicContact CG-CD1 4.29Å; L725-I746 HydrophobicContact CG-CG2 4.07Å; I740-I746 HydrophobicContact CG2-CB 4.45Å; I740-I746 HydrophobicContact CG2-CD1 3.52Å; I740-I746 HydrophobicContact CG2-CG2 4.29Å; C743-I746 HydrophobicContact CB-CB 4.22Å; C743-I746 HydrophobicContact CB-CD1 3.87Å; C743-I746 HydrophobicContact CB-CG1 4.19Å; C743-I746 PolarHBondContact O-N 3.09Å; T744-I746 VanDerWaalsContact C-N 3.33Å; I746-A751 HydrophobicContact CG2-CB 4.09Å; I746-Y763 HydrophobicContact CG2-CE2 4.31Å; I746-Y763 PolarHBondContact O-OH 3.37Å
747	S	86.6	Confident	83.4	Confident	33 Å²	33	52.8 Å²	52.8	23%	0.231	26%	0.256	C	S	.	.			trans	-75.6	149.6	176.7	69.7	0	0	0	0	111.9	D722 E749 A750 A751	D722-S747 PolarHBondContact OD1-N 3.42Å; D722-S747 PolarHBondContact OD1-OG 3.33Å; D722-S747 VanDerWaalsContact OD1-OG 3.07Å; D722-S747 WeakPolarHBondContact OD2-CB 3.16Å; D722-S747 PolarHBondContact OD2-OG 3.42Å; S747-E749 WeakPolarHBondContact CB-OE2 2.97Å; S747-E749 PolarHBondContact O-N 2.99Å; S747-A750 PolarHBondContact O-N 3.17Å; S747-A750 WeakPolarHBondContact OG-CB 3.29Å; S747-A750 PolarHBondContact OG-N 3.26Å; S747-A750 VanDerWaalsContact OG-N 3.16Å; S747-A751 VanDerWaalsContact O-CB 3.28Å; S747-A751 WeakPolarHBondContact O-CB 3.23Å; S747-A751 PolarHBondContact O-N 3.42Å; S747-A751 VanDerWaalsContact O-N 3.08Å
748	W	81.5	Confident	83.1	Confident	140 Å²	140	52.7 Å²	52.7	53%	0.53	26%	0.256	S	S	.	.	H	α-helix	trans	-54.8	-40.5	171.9	171	-109.8	0	0	0	111.4	A750 A751 V752 W761 Y763	W748-A750 PolarHBondContact O-N 2.73Å; W748-A751 PolarHBondContact O-N 2.83Å; W748-V752 HydrophobicContact CD2-CG2 3.71Å; W748-V752 HydrophobicContact CE3-CG2 4.07Å; W748-V752 HydrophobicContact CG-CG2 4.3Å; W748-V752 HydrophobicContact CH2-CG2 3.95Å; W748-V752 HydrophobicContact CZ2-CG2 3.53Å; W748-V752 HydrophobicContact CZ3-CG2 4.2Å; W748-V752 WeakPolarHBondContact O-CG2 3.44Å; W748-V752 PolarHBondContact O-N 3.03Å; W748-W761 HydrophobicContact CZ3-CZ2 4.29Å; W748-Y763 HydrophobicContact CD2-CE1 4.48Å; W748-Y763 AromaticContact CE3-CD1 3.54Å; W748-Y763 HydrophobicContact CE3-CD1 3.54Å; W748-Y763 AromaticContact CE3-CE1 3.45Å; W748-Y763 HydrophobicContact CE3-CE1 3.45Å; W748-Y763 VanDerWaalsContact CE3-CE1 3.45Å; W748-Y763 HydrophobicContact CE3-CG 4.44Å; W748-Y763 AromaticContact CZ3-CD1 3.71Å; W748-Y763 HydrophobicContact CZ3-CD1 3.71Å; W748-Y763 HydrophobicContact CZ3-CE1 4.09Å; W748-Y763 PolarHBondContact N-OH 3.08Å
749	E	83.5	Confident	82.2	Confident	119 Å²	119	56 Å²	56	56%	0.556	28%	0.279	S	S	*	.	H	α-helix	trans	-65.7	-40.6	-178.7	-62.3	78.4	-169.6	0	0	112.9	S747 A751 K753	S747-E749 WeakPolarHBondContact CB-OE2 2.97Å; S747-E749 PolarHBondContact O-N 2.99Å; E749-A751 VanDerWaalsContact C-N 3.31Å; E749-K753 WeakPolarHBondContact O-CD 3.41Å; E749-K753 VanDerWaalsContact O-CG 3.31Å; E749-K753 WeakPolarHBondContact O-CG 3.38Å; E749-K753 PolarHBondContact O-N 3.13Å
750	A	84.4	Confident	81.4	Confident	7 Å²	7	57.4 Å²	57.4	6%	0.058	29%	0.288	C	S	.	.	H	α-helix	trans	-67.9	-38.4	177	0	0	0	0	0	111.4	D722 L725 R729 S747 W748	D722-A750 HydrophobicContact CB-CB 3.79Å; D722-A750 VanDerWaalsContact OD1-CB 3.23Å; D722-A750 WeakPolarHBondContact OD1-CB 3.32Å; L725-A750 HydrophobicContact CD1-CB 4.17Å; R729-A750 PolarHBondContact NH2-O 3.03Å; S747-A750 PolarHBondContact O-N 3.17Å; S747-A750 WeakPolarHBondContact OG-CB 3.29Å; S747-A750 PolarHBondContact OG-N 3.26Å; S747-A750 VanDerWaalsContact OG-N 3.16Å; W748-A750 PolarHBondContact O-N 2.73Å
751	A	83	Confident	81	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66	-55.3	-179.8	0	0	0	0	0	110.5	L725 I746 S747 W748 E749 K753 L754 Q755 W761 Y763	L725-A751 HydrophobicContact CD1-CB 3.78Å; I746-A751 HydrophobicContact CG2-CB 4.09Å; S747-A751 VanDerWaalsContact O-CB 3.28Å; S747-A751 WeakPolarHBondContact O-CB 3.23Å; S747-A751 PolarHBondContact O-N 3.42Å; S747-A751 VanDerWaalsContact O-N 3.08Å; W748-A751 PolarHBondContact O-N 2.83Å; E749-A751 VanDerWaalsContact C-N 3.31Å; A751-K753 PolarHBondContact O-N 2.96Å; A751-L754 WeakPolarHBondContact O-CA 3.42Å; A751-L754 WeakPolarHBondContact O-CB 3.27Å; A751-L754 PolarHBondContact O-N 3Å; A751-Q755 PolarHBondContact O-N 3.21Å; A751-Q755 VanDerWaalsContact O-N 3.12Å; A751-W761 VanDerWaalsContact CA-CH2 3.46Å; A751-W761 HydrophobicContact CB-CH2 3.19Å; A751-W761 HydrophobicContact CB-CZ2 4.17Å; A751-W761 HydrophobicContact CB-CZ3 3.79Å; A751-W761 WeakPolarHBondContact O-CH2 3.45Å; A751-W761 WeakPolarHBondContact O-CZ3 3.44Å; A751-Y763 HydrophobicContact CB-CD2 3.79Å; A751-Y763 HydrophobicContact CB-CE2 3.85Å; A751-Y763 HydrophobicContact CB-CG 4.49Å
752	V	80.1	Confident	80.6	Confident	39 Å²	39	61.6 Å²	61.6	24%	0.236	30%	0.304	C	S	.	.	H	α-helix	trans	-55.7	-33.6	-179.7	169.7	0	0	0	0	112.7	W748 L754 Q755	W748-V752 HydrophobicContact CD2-CG2 3.71Å; W748-V752 HydrophobicContact CE3-CG2 4.07Å; W748-V752 HydrophobicContact CG-CG2 4.3Å; W748-V752 HydrophobicContact CH2-CG2 3.95Å; W748-V752 HydrophobicContact CZ2-CG2 3.53Å; W748-V752 HydrophobicContact CZ3-CG2 4.2Å; W748-V752 WeakPolarHBondContact O-CG2 3.44Å; W748-V752 PolarHBondContact O-N 3.03Å; V752-L754 VanDerWaalsContact C-N 3.27Å; V752-L754 PolarHBondContact O-N 3.18Å; V752-Q755 WeakPolarHBondContact O-CB 3.16Å; V752-Q755 PolarHBondContact O-N 3.26Å
753	K	82.9	Confident	80.5	Confident	124 Å²	124	62.1 Å²	62.1	54%	0.539	31%	0.305	S	S	.	.	H	α-helix	trans	-65.6	-27.5	175.7	-74.7	170.3	-174	168.6	0	113.1	R729 E749 A751	R729-K753 VanDerWaalsContact CZ-CB 3.43Å; E749-K753 WeakPolarHBondContact O-CD 3.41Å; E749-K753 VanDerWaalsContact O-CG 3.31Å; E749-K753 WeakPolarHBondContact O-CG 3.38Å; E749-K753 PolarHBondContact O-N 3.13Å; A751-K753 PolarHBondContact O-N 2.96Å
754	L	81.8	Confident	80	Confident	5 Å²	5	63.5 Å²	63.5	3%	0.026	31%	0.314	C	S	.	.	H	α-helix	trans	-82.5	-34.8	173.2	-174.4	65.4	0	0	0	111.9	L725 L728 R729 I738 A751 V752 K756 R757 V758	L725-L754 HydrophobicContact CB-CD2 4.44Å; L725-L754 HydrophobicContact CD2-CD2 3.86Å; L728-L754 HydrophobicContact CB-CD1 4.39Å; L728-L754 HydrophobicContact CB-CD2 4.25Å; L728-L754 HydrophobicContact CD1-CD2 4.15Å; R729-L754 HydrophobicContact CG-CD1 3.74Å; I738-L754 HydrophobicContact CD1-CD2 3.54Å; A751-L754 WeakPolarHBondContact O-CA 3.42Å; A751-L754 WeakPolarHBondContact O-CB 3.27Å; A751-L754 PolarHBondContact O-N 3Å; V752-L754 VanDerWaalsContact C-N 3.27Å; V752-L754 PolarHBondContact O-N 3.18Å; L754-K756 PolarHBondContact O-N 2.93Å; L754-K756 VanDerWaalsContact O-N 3.07Å; L754-R757 PolarHBondContact O-N 3.03Å; L754-V758 HydrophobicContact CG-CG2 4.27Å
755	Q	79.5	Confident	79	Confident	62 Å²	62	62.5 Å²	62.5	29%	0.29	31%	0.312	S	S	.	.	H	α-helix	trans	-48	-39.4	178.5	-172.4	-165.8	8.8	0	0	112.7	A751 V752 R757 V758 W761	A751-Q755 PolarHBondContact O-N 3.21Å; A751-Q755 VanDerWaalsContact O-N 3.12Å; V752-Q755 WeakPolarHBondContact O-CB 3.16Å; V752-Q755 PolarHBondContact O-N 3.26Å; Q755-R757 PolarHBondContact O-N 3.46Å; Q755-V758 PolarHBondContact O-N 3.39Å; Q755-V758 VanDerWaalsContact O-N 3.15Å; Q755-W761 HydrophobicContact CB-CD2 4.07Å; Q755-W761 HydrophobicContact CB-CE3 3.82Å; Q755-W761 HydrophobicContact CB-CH2 4.32Å; Q755-W761 HydrophobicContact CB-CZ3 3.98Å; Q755-W761 HydrophobicContact CG-CB 4.41Å; Q755-W761 HydrophobicContact CG-CD2 4.01Å; Q755-W761 HydrophobicContact CG-CE3 4.26Å; Q755-W761 HydrophobicContact CG-CG 4.09Å
756	K	73.9	Confident	77.3	Confident	170 Å²	170	66.3 Å²	66.3	74%	0.739	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-14.7	179.7	-63.3	-175.4	-179	-176.3	0	114.8	L754	L754-K756 PolarHBondContact O-N 2.93Å; L754-K756 VanDerWaalsContact O-N 3.07Å
757	R	76.4	Confident	75.1	Confident	106 Å²	106	76.8 Å²	76.8	40%	0.4	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-1.2	-176.4	-68.8	-174.8	59.8	-177.1	-11.2	113.6	R729 I731 P734 L754 Q755	R729-R757 VanDerWaalsContact O-CZ 3.28Å; R729-R757 PolarHBondContact O-NH1 3.08Å; R729-R757 PolarHBondContact O-NH2 3.26Å; I731-R757 PolarHBondContact O-NH2 2.53Å; I731-R757 VanDerWaalsContact O-NH2 3.13Å; P734-R757 VanDerWaalsContact CB-O 3.24Å; P734-R757 WeakPolarHBondContact CB-O 3.42Å; L754-R757 PolarHBondContact O-N 3.03Å; Q755-R757 PolarHBondContact O-N 3.46Å
758	V	75.4	Confident	72.7	Confident	17 Å²	17	77.1 Å²	77.1	10%	0.103	37%	0.365	C	S	.	.			trans	-121.5	141.2	-174.3	-175.4	0	0	0	0	109.1	L735 N736 I738 L754 Q755 H760	L735-V758 HydrophobicContact CB-CG1 4.39Å; L735-V758 HydrophobicContact CB-CG2 4.2Å; L735-V758 WeakPolarHBondContact O-CA 3.28Å; L735-V758 WeakPolarHBondContact O-CG1 3.36Å; N736-V758 WeakPolarHBondContact O-CG1 3.47Å; I738-V758 HydrophobicContact CB-CG1 4.35Å; I738-V758 HydrophobicContact CG2-CB 4.41Å; I738-V758 HydrophobicContact CG2-CG1 3.95Å; I738-V758 HydrophobicContact CG2-CG2 4.26Å; L754-V758 HydrophobicContact CG-CG2 4.27Å; Q755-V758 PolarHBondContact O-N 3.39Å; Q755-V758 VanDerWaalsContact O-N 3.15Å; V758-H760 WeakPolarHBondContact CG1-O 3.36Å
759	S	71.2	Confident	70.3	Confident	70 Å²	70	74.8 Å²	74.8	49%	0.49	37%	0.37	S	S	.	.	S	Bend	trans	-75.6	-42.7	-178.2	-54.6	0	0	0	0	112.4	N736	N736-S759 WeakPolarHBondContact O-CB 3.22Å; N736-S759 PolarHBondContact O-N 3.34Å
760	H	71.3	Confident	67.8	Low	97 Å²	97	75.5 Å²	75.5	45%	0.449	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.7	179.7	-65.9	82	0	0	0	110.1	N736 T737 I738 V758	N736-H760 PolarHBondContact O-N 3.21Å; T737-H760 CarbonylContact C-O 3.36Å; T737-H760 VanDerWaalsContact CA-O 3.26Å; T737-H760 WeakPolarHBondContact CA-O 3.35Å; T737-H760 HydrophobicContact CG2-CB 4.14Å; I738-H760 PolarHBondContact N-O 2.61Å; V758-H760 WeakPolarHBondContact CG1-O 3.36Å
761	W	80.6	Confident	65.8	Low	51 Å²	51	85.4 Å²	85.4	19%	0.193	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	139.6	-173.8	144.5	-67.1	0	0	0	109	I738 I740 W748 A751 Q755 Y763	I738-W761 HydrophobicContact CG2-CB 4.4Å; I738-W761 HydrophobicContact CG2-CE3 4.13Å; I738-W761 WeakPolarHBondContact O-CA 3.41Å; I740-W761 HydrophobicContact CD1-CZ3 4.3Å; W748-W761 HydrophobicContact CZ3-CZ2 4.29Å; A751-W761 VanDerWaalsContact CA-CH2 3.46Å; A751-W761 HydrophobicContact CB-CH2 3.19Å; A751-W761 HydrophobicContact CB-CZ2 4.17Å; A751-W761 HydrophobicContact CB-CZ3 3.79Å; A751-W761 WeakPolarHBondContact O-CH2 3.45Å; A751-W761 WeakPolarHBondContact O-CZ3 3.44Å; Q755-W761 HydrophobicContact CB-CD2 4.07Å; Q755-W761 HydrophobicContact CB-CE3 3.82Å; Q755-W761 HydrophobicContact CB-CH2 4.32Å; Q755-W761 HydrophobicContact CB-CZ3 3.98Å; Q755-W761 HydrophobicContact CG-CB 4.41Å; Q755-W761 HydrophobicContact CG-CD2 4.01Å; Q755-W761 HydrophobicContact CG-CE3 4.26Å; Q755-W761 HydrophobicContact CG-CG 4.09Å; W761-Y763 VanDerWaalsContact CE2-CB 3.47Å; W761-Y763 HydrophobicContact CH2-CD2 4.48Å; W761-Y763 HydrophobicContact CH2-CG 4.3Å; W761-Y763 HydrophobicContact CZ2-CD1 4.44Å; W761-Y763 HydrophobicContact CZ2-CD2 4.42Å; W761-Y763 AromaticContact CZ2-CG 3.82Å; W761-Y763 HydrophobicContact CZ2-CG 3.82Å
762	E	77.8	Confident	63.4	Low	78 Å²	78	92.7 Å²	92.7	36%	0.364	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	126.2	167.9	-63.2	171.2	-150.5	0	0	108.4	I738 R739 I740	I738-E762 PolarHBondContact O-N 3.26Å; R739-E762 HydrophobicContact CB-CB 4.47Å; R739-E762 VanDerWaalsContact CD-OE2 3.24Å; R739-E762 WeakPolarHBondContact CD-OE2 3.41Å; R739-E762 HydrophobicContact CG-CB 4.14Å; R739-E762 HydrophobicContact CG-CG 4.35Å; R739-E762 IonicContact CZ-OE1 2.77Å; R739-E762 IonicContact NE-OE1 3.13Å; R739-E762 PolarHBondContact NE-OE1 3.29Å; R739-E762 IonicContact NE-OE2 3.6Å; R739-E762 PolarHBondContact NE-OE2 3.13Å; R739-E762 VanDerWaalsContact NE-OE2 3.1Å; R739-E762 IonicContact NH2-OE1 3.83Å; R739-E762 PolarHBondContact NH2-OE1 2.91Å; I740-E762 PolarHBondContact N-O 3.2Å
763	Y	81.3	Confident	61	Low	40 Å²	40	96.9 Å²	96.9	16%	0.157	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	134.5	175.5	171.6	-85.7	0	0	0	109	I740 N741 I746 W748 A751 W761	I740-Y763 HydrophobicContact CB-CD2 4.38Å; I740-Y763 HydrophobicContact CG2-CD2 4.48Å; N741-Y763 WeakPolarHBondContact OD1-CA 2.97Å; N741-Y763 PolarHBondContact OD1-N 3.1Å; I746-Y763 HydrophobicContact CG2-CE2 4.31Å; I746-Y763 PolarHBondContact O-OH 3.37Å; W748-Y763 HydrophobicContact CD2-CE1 4.48Å; W748-Y763 AromaticContact CE3-CD1 3.54Å; W748-Y763 HydrophobicContact CE3-CD1 3.54Å; W748-Y763 AromaticContact CE3-CE1 3.45Å; W748-Y763 HydrophobicContact CE3-CE1 3.45Å; W748-Y763 VanDerWaalsContact CE3-CE1 3.45Å; W748-Y763 HydrophobicContact CE3-CG 4.44Å; W748-Y763 AromaticContact CZ3-CD1 3.71Å; W748-Y763 HydrophobicContact CZ3-CD1 3.71Å; W748-Y763 HydrophobicContact CZ3-CE1 4.09Å; W748-Y763 PolarHBondContact N-OH 3.08Å; A751-Y763 HydrophobicContact CB-CD2 3.79Å; A751-Y763 HydrophobicContact CB-CE2 3.85Å; A751-Y763 HydrophobicContact CB-CG 4.49Å; W761-Y763 VanDerWaalsContact CE2-CB 3.47Å; W761-Y763 HydrophobicContact CH2-CD2 4.48Å; W761-Y763 HydrophobicContact CH2-CG 4.3Å; W761-Y763 HydrophobicContact CZ2-CD1 4.44Å; W761-Y763 HydrophobicContact CZ2-CD2 4.42Å; W761-Y763 AromaticContact CZ2-CG 3.82Å; W761-Y763 HydrophobicContact CZ2-CG 3.82Å
764	S	74	Confident	58.4	Low	33 Å²	33	96.1 Å²	96.1	23%	0.231	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	132.6	170.9	177.5	0	0	0	0	108.9	N741 N742 D766	N741-S764 PolarHBondContact OD1-N 2.89Å; N742-S764 PolarHBondContact N-O 3.5Å; S764-D766 PolarHBondContact OG-N 3.21Å
765	S	61.2	Low	56.1	Low	85 Å²	85	102.7 Å²	102.7	59%	0.594	52%	0.516	S	S	*	.			trans	-91.5	-4.6	173.2	49.8	0	0	0	0	113.3
766	D	49.8	Very low	53.8	Low	112 Å²	112	103.8 Å²	103.8	60%	0.599	54%	0.536	S	S	*	.	S	Bend	trans	-77.9	142	-170.7	-66.4	-24.2	0	0	0	111.2	N742 S764	N742-D766 PolarHBondContact OD1-O 3.19Å; S764-D766 PolarHBondContact OG-N 3.21Å
767	R	40	Very low	51.6	Low	225 Å²	225	104.6 Å²	104.6	85%	0.849	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-56	144.9	164.2	-72.5	-176.8	179.5	-175.1	0.2	107.6	S769	R767-S769 PolarHBondContact O-N 3.24Å
768	P	36.9	Very low	49.4	Very low	39 Å²	39	108.4 Å²	108.4	25%	0.253	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-49.1	137.4	-180	20	-31.3	0	0	0	109.5	T770	P768-T770 PolarHBondContact O-N 2.89Å
769	S	32	Very low	47.1	Very low	92 Å²	92	117.5 Å²	117.5	64%	0.643	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-48.5	136.4	165.5	51.9	0	0	0	0	107.5	R767 W771	R767-S769 PolarHBondContact O-N 3.24Å; S769-W771 PolarHBondContact O-N 2.97Å
770	T	30.8	Very low	45.1	Very low	134 Å²	134	118.4 Å²	118.4	82%	0.822	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	21.5	-168.5	44.5	0	0	0	0	115.3	P768	P768-T770 PolarHBondContact O-N 2.89Å
771	W	40.9	Very low	42.8	Very low	214 Å²	214	123.1 Å²	123.1	81%	0.811	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-27.8	172.8	-178.2	-80.6	0	0	0	113.2	S769	S769-W771 PolarHBondContact O-N 2.97Å
772	F	34.5	Very low	40.2	Very low	154 Å²	154	125.2 Å²	125.2	68%	0.675	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-90	-9.3	-171.1	-82.7	-79.5	0	0	0	116.2
773	D	29.1	Very low	38.2	Very low	126 Å²	126	127.1 Å²	127.1	67%	0.674	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-91	3.2	-174.5	-87.5	-23.5	0	0	0	115.3
774	C	29	Very low	35.5	Very low	108 Å²	108	134.4 Å²	134.4	73%	0.73	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-85.6	-5.5	-176.5	-76.8	0	0	0	0	116.6
775	N	32.4	Very low	33.3	Very low	144 Å²	144	140.2 Å²	140.2	77%	0.77	74%	0.744	S	S	*	*	S	Bend	trans	-125.2	6.7	-171.7	-80.5	-22.9	0	0	0	117.4
776	A	30.6	Very low	31.8	Very low	85 Å²	85	143.4 Å²	143.4	70%	0.702	76%	0.755	S	S	*	*	S	Bend	trans	-92.9	-5.5	-178.6	0	0	0	0	0	115.4
777	H	29.1	Very low	30.9	Very low	186 Å²	186	145.7 Å²	145.7	86%	0.861	77%	0.767	S	S	*	*	S	Bend	trans	-116.6	15.8	-174.2	-83.2	-55.6	0	0	0	116.5
778	K	29	Very low	30.2	Very low	187 Å²	187	139.5 Å²	139.5	81%	0.813	76%	0.764	S	S	*	*			trans	-121.5	25.6	179.7	-84.1	-171.2	178.3	178.7	0	116.7
779	F	27	Very low	29.6	Very low	207 Å²	207	149.6 Å²	149.6	91%	0.908	80%	0.797	S	S	*	*	S	Bend	trans	-117.7	58	167.6	-74.6	-78.1	0	0	0	112.1
780	A	29.3	Very low	29.3	Very low	90 Å²	90	153.7 Å²	153.7	74%	0.744	81%	0.808	S	S	*	*	S	Bend	trans	-158	81.1	159.4	0	0	0	0	0	109.2
781	M	23.8	Very low	29.2	Very low	195 Å²	195	158.9 Å²	158.9	96%	0.961	81%	0.812	S	S	*	*			trans	166.7	128.1	143.6	-92.3	-176.2	149.3	0	0	110.4
782	A	25.1	Very low	28.5	Very low	95 Å²	95	158.3 Å²	158.3	79%	0.785	82%	0.819	S	S	*	*			trans	-89.5	178.5	174.3	0	0	0	0	0	111.1
783	P	35.8	Very low	28.1	Very low	118 Å²	118	162.3 Å²	162.3	77%	0.766	83%	0.829	S	S	*	*				-94.4	153.6	-108.5	37	-24.6	0	0	0	113.4
784	K	26	Very low	28	Very low	193 Å²	193	163.8 Å²	163.8	84%	0.839	84%	0.837	S	S	*	*			trans	-166	125.8	147.7	-106.5	166.6	-168.4	-168.6	0	111.7
785	D	26.4	Very low	27.9	Very low	155 Å²	155	167.1 Å²	167.1	83%	0.829	85%	0.847	S	S	*	*			trans	72	134.5	154.5	-55.3	-33.6	0	0	0	121.4
786	N	30.9	Very low	27.5	Very low	152 Å²	152	166.8 Å²	166.8	81%	0.813	85%	0.854	S	S	*	*			trans	-73.2	167	-172	-76.8	-31.5	0	0	0	113.6
787	D	29.4	Very low	27.5	Very low	161 Å²	161	171.1 Å²	171.1	86%	0.861	89%	0.89	S	S	*	*			trans	84.5	79.8	161.5	-57.7	-27	0	0	0	118.4
788	A	26.7	Very low	27.4	Very low	94 Å²	94	170.4 Å²	170.4	78%	0.777	89%	0.892	S	S	*	*			trans	-166.3	32.5	155.7	0	0	0	0	0	116.2
789	W	24.2	Very low	27.3	Very low	252 Å²	252	169.5 Å²	169.5	96%	0.955	90%	0.896	S	S	*	*			trans	-107.9	36	-175.1	-89.6	80.6	0	0	0	115.8
790	M	25.9	Very low	27.3	Very low	177 Å²	177	167.4 Å²	167.4	87%	0.872	90%	0.895	S	S	*	*			trans	-142.6	82.7	174.5	-81.1	-107.6	-83.5	0	0	110.7
791	R	27.2	Very low	27.2	Very low	243 Å²	243	171.9 Å²	171.9	92%	0.917	90%	0.904	S	S	*	*			trans	168.7	100.9	152.6	-99.3	176.6	-97	-174.6	-6.8	109.5
792	E	27	Very low	27.4	Very low	202 Å²	202	170.5 Å²	170.5	94%	0.944	90%	0.9	S	S	*	*			trans	171.8	63.5	149.8	-96.5	171.5	-166.2	0	0	109.3
793	R	25.3	Very low	27.6	Very low	238 Å²	238	175.5 Å²	175.5	90%	0.898	91%	0.908	S	S	*	*			trans	-125.9	94.9	154.1	-102.9	-170.1	-170.9	179.7	3.2	103.7
794	D	28	Very low	27	Very low	157 Å²	157	179.6 Å²	179.6	84%	0.84	92%	0.918	S	S	*	*			trans	167	96.4	161.8	-84.3	-22.1	0	0	0	106
795	L	26.6	Very low	27.1	Very low	179 Å²	179	178.6 Å²	178.6	94%	0.937	92%	0.924	S	S	*	*			trans	166.1	80.1	154.7	-89.5	157.5	0	0	0	109.4
796	C	24.7	Very low	27.1	Very low	136 Å²	136	180.6 Å²	180.6	92%	0.919	93%	0.932	S	S	*	*			trans	-172.9	86.8	142	-102.9	0	0	0	0	106.7
797	A	29.8	Very low	26.8	Very low	176 Å²	176	183.2 Å²	183.2	100%	1.455	94%	0.943	S	S	*	*			trans	-69.5	0	164.2	0	0	0	0	0	111

Retrieved 797 of 797 residues in 515.5 ms (Link to these results)

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