A0A096MYC3_PAPAN Loading...

Autophagy-related protein 16-1

AlphaFold DB (F7E8Q7), UniProt , Accession A0A096MYC3, Species PAPAN (Papio anubis, Olive baboon), Gene ATG16L1, Length 624 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	36.2	Very low	48.5	Very low	242 Å²	242	131.2 Å²	131.2	100%	1.192	77%	0.767	S	S	*	*				0	144.1	0	-71.7	179.9	173.4	0	0	108.2
2	S	38	Very low	50.6	Low	116 Å²	116	138.7 Å²	138.7	81%	0.811	77%	0.772	S	S	*	*			trans	61.8	134.1	173.3	-177.8	0	0	0	0	116.3
3	S	40	Very low	52.8	Low	96 Å²	96	140.8 Å²	140.8	67%	0.671	76%	0.761	S	S	*	*			cis	-158.4	144.8	-16.7	38.5	0	0	0	0	108.5	L5	S3-L5 PolarHBondContact O-N 3.26Å
4	G	44.5	Very low	54.7	Low	83 Å²	83	138.1 Å²	138.1	86%	0.856	74%	0.739	S	S	*	*			trans	-80.3	112.6	176.5	0	0	0	0	0	111
5	L	39.8	Very low	56.5	Low	166 Å²	166	136.2 Å²	136.2	87%	0.869	72%	0.717	S	S	*	*			trans	-92	111.1	164.2	-83.2	163.5	0	0	0	109	S3 A7	S3-L5 PolarHBondContact O-N 3.26Å; L5-A7 PolarHBondContact O-N 3.35Å
6	R	45	Very low	58.2	Low	245 Å²	245	134.3 Å²	134.3	93%	0.925	70%	0.703	S	S	*	*			trans	-54.2	124.9	175.4	-68	173.3	173.5	171.5	-4	109.3	A8	R6-A8 PolarHBondContact O-N 2.84Å
7	A	48	Very low	59.7	Low	99 Å²	99	131.5 Å²	131.5	82%	0.818	69%	0.688	S	S	*	*			trans	-64.6	107.2	166	0	0	0	0	0	108.1	L5	L5-A7 PolarHBondContact O-N 3.35Å
8	A	50.3	Low	61.2	Low	70 Å²	70	126.9 Å²	126.9	58%	0.579	67%	0.668	S	S	*	*			trans	-62.7	141.7	174.5	0	0	0	0	0	109.9	R6 F10	R6-A8 PolarHBondContact O-N 2.84Å; A8-F10 VanDerWaalsContact C-N 3.34Å; A8-F10 WeakPolarHBondContact O-CD2 3.29Å; A8-F10 PolarHBondContact O-N 3.32Å
9	D	57.7	Low	62.6	Low	148 Å²	148	125.5 Å²	125.5	79%	0.791	66%	0.658	S	S	*	*			trans	-64.8	91.7	176	-98.7	-57	0	0	0	110.7	R15	D9-R15 IonicContact OD1-NH2 2.72Å
10	F	60.7	Low	63.9	Low	112 Å²	112	123.3 Å²	123.3	49%	0.491	64%	0.644	S	S	.	*			trans	-62.1	133.5	175	-71.8	-73.4	0	0	0	109.9	A8 K14 R15	A8-F10 VanDerWaalsContact C-N 3.34Å; A8-F10 WeakPolarHBondContact O-CD2 3.29Å; A8-F10 PolarHBondContact O-N 3.32Å; F10-K14 HydrophobicContact CD1-CD 4.03Å; F10-R15 PolarHBondContact O-NE 3.21Å; F10-R15 PolarHBondContact O-NH2 3.25Å
11	P	73.4	Confident	64.9	Low	66 Å²	66	121.3 Å²	121.3	43%	0.429	63%	0.634	S	S	.	*			trans	-50.3	142.1	176	-29.2	35.4	0	0	0	112.3	W13 K14 R15	P11-W13 HydrophobicContact CB-CG 4.33Å; P11-W13 PolarHBondContact O-N 3.44Å; P11-W13 VanDerWaalsContact O-N 3.08Å; P11-K14 PolarHBondContact O-N 3.08Å; P11-R15 PolarHBondContact O-N 3.3Å
12	R	73.6	Confident	67.3	Low	221 Å²	221	117.2 Å²	117.2	83%	0.834	61%	0.605	S	S	*	*	H	α-helix	trans	-48.9	-41.1	-176.3	-85.3	-172.5	171.5	-166.3	-1.9	113.1	K14 R15 H16	R12-K14 PolarHBondContact O-N 3.24Å; R12-R15 WeakPolarHBondContact O-CB 3.3Å; R12-R15 PolarHBondContact O-N 3.48Å; R12-H16 PolarHBondContact O-N 2.56Å
13	W	79.5	Confident	69.6	Low	166 Å²	166	118.7 Å²	118.7	63%	0.629	59%	0.593	S	S	*	*	H	α-helix	trans	-61.3	-40	178.6	67.9	-102.5	0	0	0	113	P11 R15 H16 I17	P11-W13 HydrophobicContact CB-CG 4.33Å; P11-W13 PolarHBondContact O-N 3.44Å; P11-W13 VanDerWaalsContact O-N 3.08Å; W13-R15 VanDerWaalsContact C-N 3.33Å; W13-R15 PolarHBondContact O-N 2.87Å; W13-H16 PolarHBondContact O-N 3.27Å; W13-I17 HydrophobicContact CE3-CD1 3.77Å; W13-I17 HydrophobicContact CZ3-CD1 4.06Å; W13-I17 WeakPolarHBondContact O-CG1 3.38Å; W13-I17 PolarHBondContact O-N 3.24Å
14	K	79.4	Confident	71.9	Confident	104 Å²	104	120.2 Å²	120.2	45%	0.452	58%	0.584	S	S	.	*	H	α-helix	trans	-72.1	-30.4	180	-171	167.7	178.3	174.7	0	111.8	F10 P11 R12 S18	F10-K14 HydrophobicContact CD1-CD 4.03Å; P11-K14 PolarHBondContact O-N 3.08Å; R12-K14 PolarHBondContact O-N 3.24Å; K14-S18 WeakPolarHBondContact O-CB 3.47Å; K14-S18 PolarHBondContact O-N 3.42Å; K14-S18 VanDerWaalsContact O-N 3.13Å
15	R	81.8	Confident	73.7	Confident	109 Å²	109	119.9 Å²	119.9	41%	0.411	56%	0.562	S	S	.	*	H	α-helix	trans	-66	-49.8	170.8	-131.7	176.9	-64.7	178.8	-7.2	110.9	D9 F10 P11 R12 W13 I17 S18 E19	D9-R15 IonicContact OD1-NH2 2.72Å; F10-R15 PolarHBondContact O-NE 3.21Å; F10-R15 PolarHBondContact O-NH2 3.25Å; P11-R15 PolarHBondContact O-N 3.3Å; R12-R15 WeakPolarHBondContact O-CB 3.3Å; R12-R15 PolarHBondContact O-N 3.48Å; W13-R15 VanDerWaalsContact C-N 3.33Å; W13-R15 PolarHBondContact O-N 2.87Å; R15-I17 PolarHBondContact O-N 3.24Å; R15-S18 WeakPolarHBondContact O-CB 3.23Å; R15-S18 PolarHBondContact O-N 3.2Å; R15-S18 VanDerWaalsContact O-N 3.1Å; R15-E19 WeakPolarHBondContact O-CG 3.31Å; R15-E19 PolarHBondContact O-N 2.91Å
16	H	83.2	Confident	75.9	Confident	106 Å²	106	120.7 Å²	120.7	49%	0.491	55%	0.554	S	S	.	*	H	α-helix	trans	-60	-44.8	177.7	-176.9	49	0	0	0	112.8	R12 W13 S18 E19 E20	R12-H16 PolarHBondContact O-N 2.56Å; W13-H16 PolarHBondContact O-N 3.27Å; H16-S18 VanDerWaalsContact C-N 3.32Å; H16-S18 PolarHBondContact O-N 2.79Å; H16-E19 PolarHBondContact O-N 2.99Å; H16-E19 VanDerWaalsContact O-N 3.14Å; H16-E20 IonicContact CE1-OE1 3.97Å; H16-E20 PolarHBondContact O-N 2.99Å
17	I	84.3	Confident	77.5	Confident	87 Å²	87	113.9 Å²	113.9	45%	0.446	54%	0.535	S	S	.	.	H	α-helix	trans	-61.4	-40.1	174	-67.8	175.8	0	0	0	111.3	W13 R15 E19 L21	W13-I17 HydrophobicContact CE3-CD1 3.77Å; W13-I17 HydrophobicContact CZ3-CD1 4.06Å; W13-I17 WeakPolarHBondContact O-CG1 3.38Å; W13-I17 PolarHBondContact O-N 3.24Å; R15-I17 PolarHBondContact O-N 3.24Å; I17-E19 VanDerWaalsContact C-N 3.28Å; I17-E19 PolarHBondContact O-N 2.89Å; I17-L21 HydrophobicContact CG2-CD1 3.83Å; I17-L21 HydrophobicContact CG2-CG 4.29Å; I17-L21 WeakPolarHBondContact O-CB 3.4Å; I17-L21 VanDerWaalsContact O-CG 3.29Å; I17-L21 WeakPolarHBondContact O-CG 3.46Å; I17-L21 PolarHBondContact O-N 2.93Å
18	S	86.6	Confident	79	Confident	48 Å²	48	113.9 Å²	113.9	34%	0.336	52%	0.518	S	S	.	.	H	α-helix	trans	-66.8	-27.9	176.2	-177.3	0	0	0	0	113.4	K14 R15 H16 R22	K14-S18 WeakPolarHBondContact O-CB 3.47Å; K14-S18 PolarHBondContact O-N 3.42Å; K14-S18 VanDerWaalsContact O-N 3.13Å; R15-S18 WeakPolarHBondContact O-CB 3.23Å; R15-S18 PolarHBondContact O-N 3.2Å; R15-S18 VanDerWaalsContact O-N 3.1Å; H16-S18 VanDerWaalsContact C-N 3.32Å; H16-S18 PolarHBondContact O-N 2.79Å; S18-R22 WeakPolarHBondContact O-CB 3.37Å; S18-R22 WeakPolarHBondContact O-CG 3.46Å; S18-R22 PolarHBondContact O-N 2.99Å; S18-R22 PolarHBondContact O-NE 2.86Å; S18-R22 PolarHBondContact OG-NH2 3.03Å
19	E	86.9	Confident	80.4	Confident	100 Å²	100	119 Å²	119	47%	0.467	52%	0.523	S	S	.	.	H	α-helix	trans	-77.6	-47	175.7	-74.2	159.8	-171.4	0	0	111.2	R15 H16 I17 R22 R23	R15-E19 WeakPolarHBondContact O-CG 3.31Å; R15-E19 PolarHBondContact O-N 2.91Å; H16-E19 PolarHBondContact O-N 2.99Å; H16-E19 VanDerWaalsContact O-N 3.14Å; I17-E19 VanDerWaalsContact C-N 3.28Å; I17-E19 PolarHBondContact O-N 2.89Å; E19-R22 PolarHBondContact O-N 3.25Å; E19-R23 WeakPolarHBondContact O-CB 3.26Å; E19-R23 PolarHBondContact O-N 3.33Å
20	E	88.8	Confident	81.4	Confident	81 Å²	81	117.5 Å²	117.5	38%	0.379	51%	0.511	S	S	.	.	H	α-helix	trans	-66.6	-36.9	176.2	-72	-56.7	144.1	0	0	112.7	H16 R23 R24	H16-E20 IonicContact CE1-OE1 3.97Å; H16-E20 PolarHBondContact O-N 2.99Å; E20-R23 PolarHBondContact O-N 3.02Å; E20-R23 IonicContact OE1-NH1 3.88Å; E20-R23 IonicContact OE2-NH1 2.71Å; E20-R23 PolarHBondContact OE2-NH1 2.84Å; E20-R24 WeakPolarHBondContact O-CB 3.29Å; E20-R24 PolarHBondContact O-N 2.8Å
21	L	84.9	Confident	82.1	Confident	83 Å²	83	115.4 Å²	115.4	44%	0.435	52%	0.515	S	S	.	.	H	α-helix	trans	-62.5	-45.1	171.6	-74.6	172.1	0	0	0	111.6	I17 R23 R24 D25	I17-L21 HydrophobicContact CG2-CD1 3.83Å; I17-L21 HydrophobicContact CG2-CG 4.29Å; I17-L21 WeakPolarHBondContact O-CB 3.4Å; I17-L21 VanDerWaalsContact O-CG 3.29Å; I17-L21 WeakPolarHBondContact O-CG 3.46Å; I17-L21 PolarHBondContact O-N 2.93Å; L21-R23 VanDerWaalsContact C-N 3.28Å; L21-R23 PolarHBondContact O-N 3.12Å; L21-R24 PolarHBondContact O-N 2.84Å; L21-D25 WeakPolarHBondContact O-CB 3.31Å; L21-D25 PolarHBondContact O-N 2.68Å
22	R	86.1	Confident	82.4	Confident	155 Å²	155	117.9 Å²	117.9	59%	0.585	52%	0.519	S	S	*	.	H	α-helix	trans	-63.9	-33	174.9	-85.3	-178.8	-82.4	175.1	-10	112.9	S18 E19 R26	S18-R22 WeakPolarHBondContact O-CB 3.37Å; S18-R22 WeakPolarHBondContact O-CG 3.46Å; S18-R22 PolarHBondContact O-N 2.99Å; S18-R22 PolarHBondContact O-NE 2.86Å; S18-R22 PolarHBondContact OG-NH2 3.03Å; E19-R22 PolarHBondContact O-N 3.25Å; R22-R26 WeakPolarHBondContact O-CB 3.24Å; R22-R26 PolarHBondContact O-N 2.62Å
23	R	86.4	Confident	82.8	Confident	147 Å²	147	112.4 Å²	112.4	56%	0.555	50%	0.503	S	S	*	.	H	α-helix	trans	-70	-45.6	175.7	-175.8	174.5	172.7	-129.1	0.7	111.4	E19 E20 L21 R26 L27	E19-R23 WeakPolarHBondContact O-CB 3.26Å; E19-R23 PolarHBondContact O-N 3.33Å; E20-R23 PolarHBondContact O-N 3.02Å; E20-R23 IonicContact OE1-NH1 3.88Å; E20-R23 IonicContact OE2-NH1 2.71Å; E20-R23 PolarHBondContact OE2-NH1 2.84Å; L21-R23 VanDerWaalsContact C-N 3.28Å; L21-R23 PolarHBondContact O-N 3.12Å; R23-R26 PolarHBondContact O-N 3.3Å; R23-L27 HydrophobicContact CG-CD1 4.28Å; R23-L27 WeakPolarHBondContact O-CG 3.38Å; R23-L27 PolarHBondContact O-N 2.94Å
24	R	88.2	Confident	82.9	Confident	128 Å²	128	111.9 Å²	111.9	48%	0.483	51%	0.507	S	S	.	.	H	α-helix	trans	-57.3	-51.6	172.5	-174.8	-159	71.3	158.6	3.2	111	E20 L21 R26 L27 Q28	E20-R24 WeakPolarHBondContact O-CB 3.29Å; E20-R24 PolarHBondContact O-N 2.8Å; L21-R24 PolarHBondContact O-N 2.84Å; R24-R26 VanDerWaalsContact C-N 3.28Å; R24-R26 PolarHBondContact O-N 3.21Å; R24-L27 PolarHBondContact O-N 2.98Å; R24-L27 VanDerWaalsContact O-N 3.17Å; R24-Q28 HydrophobicContact CG-CG 4.32Å; R24-Q28 WeakPolarHBondContact O-CB 3.5Å; R24-Q28 WeakPolarHBondContact O-CG 3.21Å; R24-Q28 PolarHBondContact O-N 3.26Å
25	D	84.3	Confident	83	Confident	76 Å²	76	112 Å²	112	41%	0.406	51%	0.512	S	S	.	.	H	α-helix	trans	-63.8	-35.1	-177.1	-67.4	-1.8	0	0	0	111.6	L21 R29	L21-D25 WeakPolarHBondContact O-CB 3.31Å; L21-D25 PolarHBondContact O-N 2.68Å; D25-R29 WeakPolarHBondContact O-CB 3.48Å; D25-R29 PolarHBondContact O-N 2.9Å
26	R	84.3	Confident	83	Confident	184 Å²	184	111.1 Å²	111.1	69%	0.694	51%	0.514	S	S	*	.	H	α-helix	trans	-65.5	-47.4	172.5	-175.9	179.3	-71	-176.7	-3.8	112	R22 R23 R24 R29 Q30	R22-R26 WeakPolarHBondContact O-CB 3.24Å; R22-R26 PolarHBondContact O-N 2.62Å; R23-R26 PolarHBondContact O-N 3.3Å; R24-R26 VanDerWaalsContact C-N 3.28Å; R24-R26 PolarHBondContact O-N 3.21Å; R26-R29 PolarHBondContact O-N 3.43Å; R26-Q30 WeakPolarHBondContact O-CG 3.13Å; R26-Q30 PolarHBondContact O-N 2.86Å
27	L	79.8	Confident	83	Confident	101 Å²	101	110.7 Å²	110.7	53%	0.529	52%	0.515	S	S	.	.	H	α-helix	trans	-65	-44.5	179.7	-72.2	169.1	0	0	0	112	R23 R24 Q30 A31	R23-L27 HydrophobicContact CG-CD1 4.28Å; R23-L27 WeakPolarHBondContact O-CG 3.38Å; R23-L27 PolarHBondContact O-N 2.94Å; R24-L27 PolarHBondContact O-N 2.98Å; R24-L27 VanDerWaalsContact O-N 3.17Å; L27-Q30 PolarHBondContact O-N 2.82Å; L27-A31 PolarHBondContact O-N 3.38Å
28	Q	79.8	Confident	82.9	Confident	99 Å²	99	112 Å²	112	46%	0.463	52%	0.519	S	S	.	.	H	α-helix	trans	-64.8	-44.2	176.5	-72.5	-177.5	-31.2	0	0	111.1	R24 Q30 A31 F32	R24-Q28 HydrophobicContact CG-CG 4.32Å; R24-Q28 WeakPolarHBondContact O-CB 3.5Å; R24-Q28 WeakPolarHBondContact O-CG 3.21Å; R24-Q28 PolarHBondContact O-N 3.26Å; Q28-Q30 PolarHBondContact O-N 2.75Å; Q28-A31 PolarHBondContact O-N 2.95Å; Q28-F32 WeakPolarHBondContact O-CD2 3.42Å; Q28-F32 PolarHBondContact O-N 2.73Å
29	R	77.7	Confident	82.7	Confident	179 Å²	179	116.8 Å²	116.8	68%	0.675	53%	0.531	S	S	*	.	H	α-helix	trans	-60.5	-43.2	177.4	-176.1	171.8	177.7	147.2	1.3	112.3	D25 R26 A31 F32 E33	D25-R29 WeakPolarHBondContact O-CB 3.48Å; D25-R29 PolarHBondContact O-N 2.9Å; R26-R29 PolarHBondContact O-N 3.43Å; R29-A31 VanDerWaalsContact C-N 3.32Å; R29-A31 PolarHBondContact O-N 3.4Å; R29-F32 PolarHBondContact O-N 2.94Å; R29-E33 WeakPolarHBondContact O-CB 3.33Å; R29-E33 PolarHBondContact O-N 3.07Å
30	Q	79.8	Confident	82.5	Confident	115 Å²	115	115.7 Å²	115.7	54%	0.537	53%	0.528	S	S	.	.	H	α-helix	trans	-60.5	-39.9	175.9	-76.4	-177.5	-50.1	0	0	112.4	R26 L27 Q28 F32 E33	R26-Q30 WeakPolarHBondContact O-CG 3.13Å; R26-Q30 PolarHBondContact O-N 2.86Å; L27-Q30 PolarHBondContact O-N 2.82Å; Q28-Q30 PolarHBondContact O-N 2.75Å; Q30-F32 PolarHBondContact O-N 2.94Å; Q30-E33 PolarHBondContact O-N 3.43Å
31	A	74.8	Confident	82.2	Confident	69 Å²	69	116.7 Å²	116.7	57%	0.57	53%	0.531	S	S	*	.	H	α-helix	trans	-63.7	-25.2	178.1	0	0	0	0	0	113.9	L27 Q28 R29	L27-A31 PolarHBondContact O-N 3.38Å; Q28-A31 PolarHBondContact O-N 2.95Å; R29-A31 VanDerWaalsContact C-N 3.32Å; R29-A31 PolarHBondContact O-N 3.4Å
32	F	80.6	Confident	81.9	Confident	118 Å²	118	118.3 Å²	118.3	52%	0.518	54%	0.54	S	S	.	.	H	α-helix	trans	-103.1	-5.7	177.4	-64	-68.5	0	0	0	114	Q28 R29 Q30 E34 I35 I36	Q28-F32 WeakPolarHBondContact O-CD2 3.42Å; Q28-F32 PolarHBondContact O-N 2.73Å; R29-F32 PolarHBondContact O-N 2.94Å; Q30-F32 PolarHBondContact O-N 2.94Å; F32-E34 PolarHBondContact O-N 2.94Å; F32-I35 HydrophobicContact CD1-CD1 4.06Å; F32-I35 PolarHBondContact O-N 2.84Å; F32-I35 VanDerWaalsContact O-N 3.17Å; F32-I36 HydrophobicContact CB-CD1 4.28Å; F32-I36 VanDerWaalsContact O-CG1 3.29Å; F32-I36 WeakPolarHBondContact O-CG1 3.15Å; F32-I36 PolarHBondContact O-N 2.87Å
33	E	82	Confident	81.7	Confident	106 Å²	106	114.8 Å²	114.8	50%	0.495	53%	0.532	S	S	.	.	H	α-helix	trans	-65.1	-40.6	-173.4	-166.6	151.3	-137.5	0	0	112.2	R29 Q30 L37	R29-E33 WeakPolarHBondContact O-CB 3.33Å; R29-E33 PolarHBondContact O-N 3.07Å; Q30-E33 PolarHBondContact O-N 3.43Å; E33-L37 WeakPolarHBondContact O-CB 3.18Å; E33-L37 PolarHBondContact O-N 2.82Å
34	E	80.9	Confident	81.4	Confident	155 Å²	155	114 Å²	114	72%	0.724	54%	0.535	S	S	*	.	H	α-helix	trans	-65.7	-41	172.1	-66.6	-168.3	157	0	0	112.4	F32 L37 Q38	F32-E34 PolarHBondContact O-N 2.94Å; E34-L37 WeakPolarHBondContact O-CB 3.33Å; E34-L37 PolarHBondContact O-N 3.37Å; E34-Q38 WeakPolarHBondContact O-CG 3.44Å; E34-Q38 PolarHBondContact O-N 3.31Å
35	I	82.8	Confident	80.9	Confident	107 Å²	107	115.1 Å²	115.1	55%	0.549	54%	0.543	S	S	.	.	H	α-helix	trans	-64.1	-44.2	-180	-64.8	173.1	0	0	0	110.3	F32 L37 Q38 Y39	F32-I35 HydrophobicContact CD1-CD1 4.06Å; F32-I35 PolarHBondContact O-N 2.84Å; F32-I35 VanDerWaalsContact O-N 3.17Å; I35-L37 VanDerWaalsContact C-N 3.33Å; I35-L37 PolarHBondContact O-N 3.47Å; I35-Q38 PolarHBondContact O-N 2.95Å; I35-Y39 VanDerWaalsContact O-CB 3.31Å; I35-Y39 WeakPolarHBondContact O-CB 3.39Å; I35-Y39 PolarHBondContact O-N 3.13Å
36	I	81.3	Confident	80.6	Confident	90 Å²	90	114.5 Å²	114.5	46%	0.462	55%	0.545	S	S	.	.	H	α-helix	trans	-61.7	-41.8	175.4	-67	162.8	0	0	0	110.6	F32 Y39 N40	F32-I36 HydrophobicContact CB-CD1 4.28Å; F32-I36 VanDerWaalsContact O-CG1 3.29Å; F32-I36 WeakPolarHBondContact O-CG1 3.15Å; F32-I36 PolarHBondContact O-N 2.87Å; I36-Y39 PolarHBondContact O-N 2.93Å; I36-N40 WeakPolarHBondContact O-CB 3.09Å; I36-N40 VanDerWaalsContact O-CG 3.26Å; I36-N40 PolarHBondContact O-N 3.07Å; I36-N40 PolarHBondContact O-ND2 3.19Å
37	L	82.2	Confident	80.3	Confident	96 Å²	96	110.1 Å²	110.1	50%	0.503	54%	0.535	S	S	.	.	H	α-helix	trans	-62.5	-43.4	177.2	-168.2	80.1	0	0	0	112.3	E33 E34 I35 K41	E33-L37 WeakPolarHBondContact O-CB 3.18Å; E33-L37 PolarHBondContact O-N 2.82Å; E34-L37 WeakPolarHBondContact O-CB 3.33Å; E34-L37 PolarHBondContact O-N 3.37Å; I35-L37 VanDerWaalsContact C-N 3.33Å; I35-L37 PolarHBondContact O-N 3.47Å; L37-K41 WeakPolarHBondContact O-CG 3.38Å; L37-K41 PolarHBondContact O-N 2.72Å
38	Q	83.3	Confident	80	Confident	116 Å²	116	110.9 Å²	110.9	54%	0.542	54%	0.539	S	S	.	.	H	α-helix	trans	-71.7	-37	177.8	-60.1	-60.1	-6.2	0	0	112.1	E34 I35 K41 L42	E34-Q38 WeakPolarHBondContact O-CG 3.44Å; E34-Q38 PolarHBondContact O-N 3.31Å; I35-Q38 PolarHBondContact O-N 2.95Å; Q38-K41 PolarHBondContact O-N 3.41Å; Q38-L42 PolarHBondContact O-N 3.4Å
39	Y	82.3	Confident	79.6	Confident	148 Å²	148	112.9 Å²	112.9	58%	0.58	55%	0.548	S	S	*	.	H	α-helix	trans	-61.7	-45.8	175.3	-177	-93.4	0	0	0	111.7	I35 I36 K41 L42 L43	I35-Y39 VanDerWaalsContact O-CB 3.31Å; I35-Y39 WeakPolarHBondContact O-CB 3.39Å; I35-Y39 PolarHBondContact O-N 3.13Å; I36-Y39 PolarHBondContact O-N 2.93Å; Y39-K41 PolarHBondContact O-N 2.89Å; Y39-L42 WeakPolarHBondContact O-CB 3.37Å; Y39-L42 PolarHBondContact O-N 3.05Å; Y39-L42 VanDerWaalsContact O-N 3.13Å; Y39-L43 PolarHBondContact O-N 3.33Å
40	N	81.4	Confident	79.4	Confident	76 Å²	76	107.1 Å²	107.1	41%	0.406	54%	0.535	S	S	.	.	H	α-helix	trans	-62.5	-42.3	177	-69.8	-15.8	0	0	0	111.9	I36 L42 L43 E44	I36-N40 WeakPolarHBondContact O-CB 3.09Å; I36-N40 VanDerWaalsContact O-CG 3.26Å; I36-N40 PolarHBondContact O-N 3.07Å; I36-N40 PolarHBondContact O-ND2 3.19Å; N40-L42 VanDerWaalsContact C-N 3.28Å; N40-L42 PolarHBondContact O-N 3Å; N40-L43 WeakPolarHBondContact O-CB 3.43Å; N40-L43 PolarHBondContact O-N 3.4Å; N40-E44 WeakPolarHBondContact O-CG 3.46Å; N40-E44 PolarHBondContact O-N 3.26Å
41	K	82.5	Confident	79.2	Confident	102 Å²	102	105.5 Å²	105.5	44%	0.443	53%	0.533	S	S	.	.	H	α-helix	trans	-62.1	-32.6	173.6	-74.6	175.5	179.3	176.2	0	113.4	L37 Q38 Y39 K45	L37-K41 WeakPolarHBondContact O-CG 3.38Å; L37-K41 PolarHBondContact O-N 2.72Å; Q38-K41 PolarHBondContact O-N 3.41Å; Y39-K41 PolarHBondContact O-N 2.89Å; K41-K45 PolarHBondContact O-N 2.87Å
42	L	80.1	Confident	79.1	Confident	118 Å²	118	106.6 Å²	106.6	62%	0.618	53%	0.529	S	S	*	.	H	α-helix	trans	-72.2	-40.4	175.6	-174.8	64.9	0	0	0	111	Q38 Y39 N40 K45 S46	Q38-L42 PolarHBondContact O-N 3.4Å; Y39-L42 WeakPolarHBondContact O-CB 3.37Å; Y39-L42 PolarHBondContact O-N 3.05Å; Y39-L42 VanDerWaalsContact O-N 3.13Å; N40-L42 VanDerWaalsContact C-N 3.28Å; N40-L42 PolarHBondContact O-N 3Å; L42-K45 PolarHBondContact O-N 3.44Å; L42-S46 PolarHBondContact O-N 2.97Å
43	L	80.9	Confident	78.6	Confident	80 Å²	80	103.4 Å²	103.4	42%	0.419	53%	0.525	S	S	.	.	H	α-helix	trans	-62.2	-49.6	175.4	-163.5	71.8	0	0	0	111.1	Y39 N40 K45 S46 D47	Y39-L43 PolarHBondContact O-N 3.33Å; N40-L43 WeakPolarHBondContact O-CB 3.43Å; N40-L43 PolarHBondContact O-N 3.4Å; L43-K45 VanDerWaalsContact C-N 3.27Å; L43-K45 PolarHBondContact O-N 2.97Å; L43-S46 WeakPolarHBondContact O-CA 3.16Å; L43-S46 WeakPolarHBondContact O-CB 3.44Å; L43-S46 PolarHBondContact O-N 3.3Å; L43-D47 PolarHBondContact O-N 3.32Å
44	E	79.6	Confident	78.1	Confident	131 Å²	131	104.7 Å²	104.7	61%	0.612	53%	0.531	S	S	*	.	H	α-helix	trans	-54.5	-41.6	174.2	-73.6	172.1	-178.4	0	0	112.3	N40 L48	N40-E44 WeakPolarHBondContact O-CG 3.46Å; N40-E44 PolarHBondContact O-N 3.26Å; E44-L48 WeakPolarHBondContact O-CB 3.44Å; E44-L48 PolarHBondContact O-N 2.97Å
45	K	79.2	Confident	77.5	Confident	152 Å²	152	103.9 Å²	103.9	66%	0.661	52%	0.524	S	S	*	.	H	α-helix	trans	-66.9	-38.4	174.4	-84.4	-173.1	173.5	-175.4	0	113.1	K41 L42 L43 L48 H49	K41-K45 PolarHBondContact O-N 2.87Å; L42-K45 PolarHBondContact O-N 3.44Å; L43-K45 VanDerWaalsContact C-N 3.27Å; L43-K45 PolarHBondContact O-N 2.97Å; K45-L48 PolarHBondContact O-N 3.16Å; K45-H49 WeakPolarHBondContact O-CB 3.31Å; K45-H49 PolarHBondContact O-N 2.97Å
46	S	77.5	Confident	76.8	Confident	63 Å²	63	103.8 Å²	103.8	44%	0.441	53%	0.525	S	S	.	.	H	α-helix	trans	-65.2	-42	177.4	-176.7	0	0	0	0	111.6	L42 L43 H49 S50	L42-S46 PolarHBondContact O-N 2.97Å; L43-S46 WeakPolarHBondContact O-CA 3.16Å; L43-S46 WeakPolarHBondContact O-CB 3.44Å; L43-S46 PolarHBondContact O-N 3.3Å; S46-H49 PolarHBondContact O-N 3.1Å; S46-S50 PolarHBondContact O-N 3.49Å; S46-S50 PolarHBondContact O-OG 3.33Å
47	D	78.4	Confident	75.8	Confident	92 Å²	92	105.5 Å²	105.5	49%	0.492	53%	0.531	S	S	.	.	H	α-helix	trans	-64.9	-44.3	175.6	-67.1	-19	0	0	0	110.6	L43 H49 S50 V51	L43-D47 PolarHBondContact O-N 3.32Å; D47-H49 VanDerWaalsContact C-N 3.29Å; D47-H49 PolarHBondContact O-N 3.06Å; D47-S50 PolarHBondContact O-N 3.47Å; D47-V51 WeakPolarHBondContact O-CG2 3.43Å; D47-V51 PolarHBondContact O-N 2.54Å
48	L	73.1	Confident	74.7	Confident	116 Å²	116	103.5 Å²	103.5	61%	0.607	53%	0.528	S	S	*	.	H	α-helix	trans	-57.9	-42	173.3	-141	83.4	0	0	0	111.9	E44 K45 V51 L52	E44-L48 WeakPolarHBondContact O-CB 3.44Å; E44-L48 PolarHBondContact O-N 2.97Å; K45-L48 PolarHBondContact O-N 3.16Å; L48-V51 PolarHBondContact O-N 3.12Å; L48-L52 WeakPolarHBondContact O-CB 3.49Å; L48-L52 WeakPolarHBondContact O-CG 3.46Å; L48-L52 PolarHBondContact O-N 3.14Å
49	H	70.8	Confident	73.3	Confident	141 Å²	141	104.4 Å²	104.4	65%	0.653	53%	0.532	S	S	*	.	H	α-helix	trans	-66.1	-37.1	178	-126.2	-66.9	0	0	0	112.4	K45 S46 D47 L52 A53	K45-H49 WeakPolarHBondContact O-CB 3.31Å; K45-H49 PolarHBondContact O-N 2.97Å; S46-H49 PolarHBondContact O-N 3.1Å; D47-H49 VanDerWaalsContact C-N 3.29Å; D47-H49 PolarHBondContact O-N 3.06Å; H49-L52 PolarHBondContact O-N 3.5Å; H49-A53 WeakPolarHBondContact O-CB 3.36Å; H49-A53 PolarHBondContact O-N 3.34Å
50	S	73.9	Confident	72	Confident	59 Å²	59	105.3 Å²	105.3	41%	0.413	54%	0.539	S	S	.	.	H	α-helix	trans	-67.7	-41.5	176.5	-60.5	0	0	0	0	111.6	S46 D47 A53 Q54	S46-S50 PolarHBondContact O-N 3.49Å; S46-S50 PolarHBondContact O-OG 3.33Å; D47-S50 PolarHBondContact O-N 3.47Å; S50-A53 PolarHBondContact O-N 3.43Å; S50-Q54 WeakPolarHBondContact O-CG 3.34Å; S50-Q54 PolarHBondContact O-N 3.14Å
51	V	75.6	Confident	70.6	Confident	81 Å²	81	109 Å²	109	49%	0.491	55%	0.554	S	S	.	*	H	α-helix	trans	-64.8	-41	174.5	172.7	0	0	0	0	111.6	D47 L48 Q54 K55	D47-V51 WeakPolarHBondContact O-CG2 3.43Å; D47-V51 PolarHBondContact O-N 2.54Å; L48-V51 PolarHBondContact O-N 3.12Å; V51-Q54 PolarHBondContact O-N 2.74Å; V51-K55 PolarHBondContact O-N 2.96Å
52	L	72	Confident	68.8	Low	91 Å²	91	110.7 Å²	110.7	48%	0.476	57%	0.567	S	S	.	*	H	α-helix	trans	-66.8	-39.8	175.2	-73	170	0	0	0	112.2	L48 H49 K55 L56	L48-L52 WeakPolarHBondContact O-CB 3.49Å; L48-L52 WeakPolarHBondContact O-CG 3.46Å; L48-L52 PolarHBondContact O-N 3.14Å; H49-L52 PolarHBondContact O-N 3.5Å; L52-K55 PolarHBondContact O-N 2.94Å; L52-L56 PolarHBondContact O-N 3.03Å
53	A	70.5	Confident	67.2	Low	52 Å²	52	110.5 Å²	110.5	43%	0.43	57%	0.571	S	S	.	*	H	α-helix	trans	-62.4	-43.6	174.6	0	0	0	0	0	111.7	H49 S50 K55 L56 Q57	H49-A53 WeakPolarHBondContact O-CB 3.36Å; H49-A53 PolarHBondContact O-N 3.34Å; S50-A53 PolarHBondContact O-N 3.43Å; A53-K55 PolarHBondContact O-N 2.86Å; A53-L56 PolarHBondContact O-N 3.17Å; A53-Q57 WeakPolarHBondContact O-CB 3.39Å; A53-Q57 PolarHBondContact O-N 3.23Å
54	Q	70.8	Confident	65.4	Low	133 Å²	133	111.8 Å²	111.8	62%	0.621	58%	0.584	S	S	*	*	H	α-helix	trans	-61.7	-40.6	174.6	-75.2	178.7	-3.3	0	0	112.4	S50 V51 Q57 A58	S50-Q54 WeakPolarHBondContact O-CG 3.34Å; S50-Q54 PolarHBondContact O-N 3.14Å; V51-Q54 PolarHBondContact O-N 2.74Å; Q54-Q57 PolarHBondContact O-N 2.9Å; Q54-A58 PolarHBondContact O-N 2.95Å
55	K	69.8	Low	63.9	Low	137 Å²	137	113.5 Å²	113.5	60%	0.596	60%	0.598	S	S	*	*	H	α-helix	trans	-61.9	-47	174	-79	-171.8	173.3	-171.8	0	112.7	V51 L52 A53 Q57 A58 E59	V51-K55 PolarHBondContact O-N 2.96Å; L52-K55 PolarHBondContact O-N 2.94Å; A53-K55 PolarHBondContact O-N 2.86Å; K55-Q57 PolarHBondContact O-N 2.88Å; K55-A58 WeakPolarHBondContact O-CB 3.23Å; K55-A58 PolarHBondContact O-N 2.86Å; K55-A58 VanDerWaalsContact O-N 3.12Å; K55-E59 PolarHBondContact O-N 3.14Å
56	L	66.8	Low	61.9	Low	105 Å²	105	115.8 Å²	115.8	55%	0.55	60%	0.602	S	S	.	*	H	α-helix	trans	-62.3	-29.5	175.3	-100.9	153.9	0	0	0	112.9	L52 A53 K60	L52-L56 PolarHBondContact O-N 3.03Å; A53-L56 PolarHBondContact O-N 3.17Å; L56-K60 WeakPolarHBondContact O-CG 3.43Å; L56-K60 PolarHBondContact O-N 3.31Å
57	Q	60.9	Low	60	Low	126 Å²	126	119 Å²	119	59%	0.589	61%	0.61	S	S	*	*	H	α-helix	trans	-77.3	-33.7	175.1	-146.4	167.2	8.7	0	0	111.7	A53 Q54 K55 H61	A53-Q57 WeakPolarHBondContact O-CB 3.39Å; A53-Q57 PolarHBondContact O-N 3.23Å; Q54-Q57 PolarHBondContact O-N 2.9Å; K55-Q57 PolarHBondContact O-N 2.88Å; Q57-H61 PolarHBondContact O-ND1 2.83Å
58	A	58.7	Low	58.2	Low	54 Å²	54	123.8 Å²	123.8	45%	0.446	63%	0.629	S	S	.	*	H	α-helix	trans	-68.1	-46.8	171.9	0	0	0	0	0	112.1	Q54 K55 K60 H61 D62	Q54-A58 PolarHBondContact O-N 2.95Å; K55-A58 WeakPolarHBondContact O-CB 3.23Å; K55-A58 PolarHBondContact O-N 2.86Å; K55-A58 VanDerWaalsContact O-N 3.12Å; A58-K60 PolarHBondContact O-N 3.14Å; A58-H61 PolarHBondContact O-N 2.79Å; A58-D62 PolarHBondContact O-N 2.85Å
59	E	54.7	Low	56.4	Low	136 Å²	136	125.7 Å²	125.7	64%	0.636	64%	0.638	S	S	*	*	H	α-helix	trans	-57.7	-31.3	175.4	-75.1	-179.6	153.5	0	0	112.6	K55 H61	K55-E59 PolarHBondContact O-N 3.14Å; E59-H61 VanDerWaalsContact C-N 3.34Å
60	K	55.4	Low	54.7	Low	166 Å²	166	124.2 Å²	124.2	72%	0.722	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-20.4	173.4	-81.3	-175.9	175.7	-176.7	0	114.8	L56 A58	L56-K60 WeakPolarHBondContact O-CG 3.43Å; L56-K60 PolarHBondContact O-N 3.31Å; A58-K60 PolarHBondContact O-N 3.14Å
61	H	51.3	Low	53.8	Low	154 Å²	154	127.4 Å²	127.4	71%	0.713	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-16.3	176.9	-72.7	80.3	0	0	0	113	Q57 A58 E59	Q57-H61 PolarHBondContact O-ND1 2.83Å; A58-H61 PolarHBondContact O-N 2.79Å; E59-H61 VanDerWaalsContact C-N 3.34Å
62	D	45.7	Very low	52.2	Low	137 Å²	137	126.9 Å²	126.9	73%	0.733	68%	0.675	S	S	*	*			trans	-91.1	9.2	-179.7	-100.1	-21.8	0	0	0	114.6	A58 P64	A58-D62 PolarHBondContact O-N 2.85Å; D62-P64 WeakPolarHBondContact O-CD 3.24Å
63	V	45.5	Very low	50.6	Low	115 Å²	115	131.6 Å²	131.6	70%	0.697	69%	0.694	S	S	*	*	S	Bend	trans	-82.9	109.2	171.3	-177.9	0	0	0	0	109.5	N65	V63-N65 PolarHBondContact O-N 2.98Å
64	P	44	Very low	49.6	Very low	107 Å²	107	137 Å²	137	70%	0.695	72%	0.715	S	S	*	*			trans	-75.4	125.3	-175.6	-13.3	31	0	0	0	110.5	D62 R66	D62-P64 WeakPolarHBondContact O-CD 3.24Å; P64-R66 PolarHBondContact O-N 2.95Å
65	N	46.6	Very low	48.3	Very low	167 Å²	167	133.1 Å²	133.1	89%	0.893	71%	0.711	S	S	*	*			trans	-54.8	106.7	172.1	-170.1	11.3	0	0	0	110.6	V63	V63-N65 PolarHBondContact O-N 2.98Å
66	R	38.8	Very low	47.5	Very low	200 Å²	200	133.2 Å²	133.2	76%	0.755	72%	0.723	S	S	*	*			trans	-135.1	117.8	175.1	-107.9	-158	175.4	-132.4	5.3	113.1	P64	P64-R66 PolarHBondContact O-N 2.95Å
67	H	36.7	Very low	46.7	Very low	131 Å²	131	136.2 Å²	136.2	61%	0.606	73%	0.727	S	S	*	*			trans	85.9	94.1	152.3	-63.8	16.8	0	0	0	117.1
68	E	40.6	Very low	46.6	Very low	191 Å²	191	135.4 Å²	135.4	89%	0.893	73%	0.727	S	S	*	*			trans	-43.9	141.1	133.4	-53.7	172	140.5	0	0	110.9
69	I	35.8	Very low	46.6	Very low	156 Å²	156	139 Å²	139	80%	0.8	74%	0.739	S	S	*	*			trans	-153.3	141.8	149	-95.4	140.9	0	0	0	107.6
70	S	33.9	Very low	47	Very low	110 Å²	110	136.7 Å²	136.7	77%	0.769	74%	0.738	S	S	*	*			trans	-74.5	169.4	-176.2	-118.5	0	0	0	0	113.7
71	P	55.8	Low	47.4	Very low	127 Å²	127	133.8 Å²	133.8	83%	0.825	73%	0.727	S	S	*	*			trans	-83.2	149.6	-167	34.1	-35.6	0	0	0	113.6
72	G	43	Very low	48.1	Very low	70 Å²	70	130 Å²	130	72%	0.722	71%	0.712	S	S	*	*			trans	134.1	84.1	160.2	0	0	0	0	0	115.9
73	H	36.8	Very low	49.4	Very low	190 Å²	190	130.1 Å²	130.1	88%	0.88	71%	0.708	S	S	*	*			trans	-154.4	131.9	141.7	-129	63.2	0	0	0	112.1
74	D	49.7	Very low	50.8	Low	165 Å²	165	130.3 Å²	130.3	88%	0.882	70%	0.701	S	S	*	*			trans	-65.1	131.6	160.4	-102.4	-41.7	0	0	0	108.6
75	G	44.3	Very low	52.1	Low	52 Å²	52	129.6 Å²	129.6	54%	0.536	69%	0.689	S	S	.	*			trans	-156.8	110.6	178	0	0	0	0	0	108.7	W77	G75-W77 PolarHBondContact O-N 2.87Å
76	T	53.5	Low	53.4	Low	138 Å²	138	123.4 Å²	123.4	85%	0.847	66%	0.661	S	S	*	*			trans	-55.8	110.8	172.6	43.3	0	0	0	0	109.2	N78	T76-N78 PolarHBondContact O-N 3.15Å
77	W	48.8	Very low	55.3	Low	169 Å²	169	120.4 Å²	120.4	64%	0.64	66%	0.656	S	S	*	*			trans	-59.7	128.1	173.1	-74.5	63	0	0	0	108.4	G75 D79 L82	G75-W77 PolarHBondContact O-N 2.87Å; W77-D79 PolarHBondContact O-N 3.39Å; W77-L82 HydrophobicContact CB-CD1 3.61Å; W77-L82 HydrophobicContact CB-CG 3.91Å; W77-L82 HydrophobicContact CE3-CG 4.37Å; W77-L82 HydrophobicContact CG-CD1 4.49Å
78	N	58.6	Low	57.5	Low	109 Å²	109	118 Å²	118	58%	0.583	65%	0.647	S	S	*	*			trans	-62	129.1	173.2	-81.6	-26.4	0	0	0	109	T76 S80 Q81 L82	T76-N78 PolarHBondContact O-N 3.15Å; N78-S80 PolarHBondContact O-N 2.81Å; N78-Q81 PolarHBondContact O-N 2.86Å; N78-L82 PolarHBondContact O-N 3.05Å
79	D	59.6	Low	59.2	Low	129 Å²	129	115.8 Å²	115.8	69%	0.69	63%	0.631	S	S	*	*	H	α-helix	trans	-49.7	-36.9	-179.4	-104	-15.8	0	0	0	112.2	W77 Q81 L82 Q83	W77-D79 PolarHBondContact O-N 3.39Å; D79-Q81 VanDerWaalsContact C-N 3.34Å; D79-Q81 PolarHBondContact O-N 2.64Å; D79-L82 PolarHBondContact O-N 3.25Å; D79-Q83 VanDerWaalsContact O-CB 3.29Å; D79-Q83 WeakPolarHBondContact O-CB 3.31Å; D79-Q83 PolarHBondContact O-N 3.17Å
80	S	62.2	Low	61.5	Low	88 Å²	88	113.1 Å²	113.1	62%	0.615	62%	0.617	S	S	*	*	H	α-helix	trans	-55.9	-42.3	175.2	-168.3	0	0	0	0	113.6	N78 E84	N78-S80 PolarHBondContact O-N 2.81Å; S80-E84 VanDerWaalsContact O-CB 3.31Å; S80-E84 WeakPolarHBondContact O-CB 3.49Å; S80-E84 PolarHBondContact O-N 3.16Å
81	Q	64.3	Low	63.9	Low	105 Å²	105	113.4 Å²	113.4	49%	0.491	60%	0.604	S	S	.	*	H	α-helix	trans	-77.3	-33.8	-179.9	-71.6	178.3	-45.3	0	0	111.6	N78 D79 M85	N78-Q81 PolarHBondContact O-N 2.86Å; D79-Q81 VanDerWaalsContact C-N 3.34Å; D79-Q81 PolarHBondContact O-N 2.64Å; Q81-M85 VanDerWaalsContact O-CB 3.29Å; Q81-M85 WeakPolarHBondContact O-CB 3.47Å; Q81-M85 VanDerWaalsContact O-CG 3.26Å; Q81-M85 WeakPolarHBondContact O-CG 3.4Å; Q81-M85 PolarHBondContact O-N 3.41Å
82	L	66.4	Low	65.3	Low	75 Å²	75	112.7 Å²	112.7	39%	0.393	59%	0.59	S	S	.	*	H	α-helix	trans	-63.6	-42	171.7	-90.4	163.8	0	0	0	111.6	W77 N78 D79 A86	W77-L82 HydrophobicContact CB-CD1 3.61Å; W77-L82 HydrophobicContact CB-CG 3.91Å; W77-L82 HydrophobicContact CE3-CG 4.37Å; W77-L82 HydrophobicContact CG-CD1 4.49Å; N78-L82 PolarHBondContact O-N 3.05Å; D79-L82 PolarHBondContact O-N 3.25Å; L82-A86 WeakPolarHBondContact O-CB 3.38Å; L82-A86 PolarHBondContact O-N 3.48Å
83	Q	71.6	Confident	67.2	Low	139 Å²	139	114.8 Å²	114.8	65%	0.65	58%	0.581	S	S	*	*	H	α-helix	trans	-71.3	-40.8	179.4	-170.1	156.7	-7.9	0	0	112.1	D79 A86 Q87	D79-Q83 VanDerWaalsContact O-CB 3.29Å; D79-Q83 WeakPolarHBondContact O-CB 3.31Å; D79-Q83 PolarHBondContact O-N 3.17Å; Q83-A86 WeakPolarHBondContact O-CB 3.34Å; Q83-A86 PolarHBondContact O-N 2.82Å; Q83-Q87 WeakPolarHBondContact O-CB 3.31Å; Q83-Q87 PolarHBondContact O-N 2.55Å
84	E	75.6	Confident	69.6	Low	119 Å²	119	111.1 Å²	111.1	56%	0.556	56%	0.564	S	S	*	*	H	α-helix	trans	-63.5	-43.5	173.7	-168.4	169.6	-145.3	0	0	111.7	S80 A86 Q87 L88	S80-E84 VanDerWaalsContact O-CB 3.31Å; S80-E84 WeakPolarHBondContact O-CB 3.49Å; S80-E84 PolarHBondContact O-N 3.16Å; E84-A86 VanDerWaalsContact C-N 3.32Å; E84-A86 PolarHBondContact O-N 2.92Å; E84-Q87 PolarHBondContact O-N 2.71Å; E84-L88 PolarHBondContact O-N 3.43Å
85	M	70.9	Confident	71.4	Confident	91 Å²	91	107.3 Å²	107.3	45%	0.448	54%	0.541	S	S	.	.	H	α-helix	trans	-65.4	-30.8	172.4	-76.1	-72.9	-78.6	0	0	113.3	Q81 R89	Q81-M85 VanDerWaalsContact O-CB 3.29Å; Q81-M85 WeakPolarHBondContact O-CB 3.47Å; Q81-M85 VanDerWaalsContact O-CG 3.26Å; Q81-M85 WeakPolarHBondContact O-CG 3.4Å; Q81-M85 PolarHBondContact O-N 3.41Å; M85-R89 WeakPolarHBondContact O-CG 3.39Å; M85-R89 PolarHBondContact O-N 2.78Å; M85-R89 VanDerWaalsContact O-N 3.16Å; M85-R89 PolarHBondContact O-NE 2.95Å
86	A	74.8	Confident	73.3	Confident	37 Å²	37	108.5 Å²	108.5	31%	0.306	54%	0.535	S	S	.	.	H	α-helix	trans	-70.1	-41.5	172.2	0	0	0	0	0	111.6	L82 Q83 E84 R89 I90	L82-A86 WeakPolarHBondContact O-CB 3.38Å; L82-A86 PolarHBondContact O-N 3.48Å; Q83-A86 WeakPolarHBondContact O-CB 3.34Å; Q83-A86 PolarHBondContact O-N 2.82Å; E84-A86 VanDerWaalsContact C-N 3.32Å; E84-A86 PolarHBondContact O-N 2.92Å; A86-R89 PolarHBondContact O-N 2.9Å; A86-I90 WeakPolarHBondContact O-CG1 3.48Å; A86-I90 PolarHBondContact O-N 3.5Å
87	Q	79.1	Confident	74.8	Confident	138 Å²	138	105.6 Å²	105.6	65%	0.645	52%	0.517	S	S	*	.	H	α-helix	trans	-67.2	-40	179.1	-150.4	169.3	11	0	0	111.8	Q83 E84 I90 K91	Q83-Q87 WeakPolarHBondContact O-CB 3.31Å; Q83-Q87 PolarHBondContact O-N 2.55Å; E84-Q87 PolarHBondContact O-N 2.71Å; Q87-I90 PolarHBondContact O-N 2.99Å; Q87-K91 PolarHBondContact O-N 3.3Å
88	L	82.4	Confident	76.8	Confident	81 Å²	81	102.9 Å²	102.9	42%	0.424	51%	0.511	S	S	.	.	H	α-helix	trans	-61.1	-41.3	170.1	-89	156.6	0	0	0	112.8	E84 K91 H92	E84-L88 PolarHBondContact O-N 3.43Å; L88-K91 PolarHBondContact O-N 2.88Å; L88-H92 PolarHBondContact O-N 2.95Å; L88-H92 PolarHBondContact O-ND1 2.68Å
89	R	76.3	Confident	78.2	Confident	144 Å²	144	103 Å²	103	54%	0.543	51%	0.511	S	S	.	.	H	α-helix	trans	-63	-41.6	174.4	-82.7	-177.5	-70.9	-113.5	-2.8	112.4	M85 A86 Q93	M85-R89 WeakPolarHBondContact O-CG 3.39Å; M85-R89 PolarHBondContact O-N 2.78Å; M85-R89 VanDerWaalsContact O-N 3.16Å; M85-R89 PolarHBondContact O-NE 2.95Å; A86-R89 PolarHBondContact O-N 2.9Å; R89-Q93 WeakPolarHBondContact O-CB 3.28Å; R89-Q93 PolarHBondContact O-N 3.44Å
90	I	84.3	Confident	79.6	Confident	100 Å²	100	101.2 Å²	101.2	51%	0.513	50%	0.499	S	S	.	.	H	α-helix	trans	-62.2	-48.3	175.7	-68.1	164.1	0	0	0	110	A86 Q87 H92 Q93 E94	A86-I90 WeakPolarHBondContact O-CG1 3.48Å; A86-I90 PolarHBondContact O-N 3.5Å; Q87-I90 PolarHBondContact O-N 2.99Å; I90-H92 PolarHBondContact O-N 3.23Å; I90-Q93 CarbonylContact O-C 3.56Å; I90-Q93 WeakPolarHBondContact O-CA 3.32Å; I90-Q93 WeakPolarHBondContact O-CB 3.19Å; I90-Q93 PolarHBondContact O-N 3.04Å; I90-E94 HydrophobicContact CG2-CG 4.42Å; I90-E94 WeakPolarHBondContact O-CG 3.44Å; I90-E94 PolarHBondContact O-N 3.15Å
91	K	84.1	Confident	81	Confident	116 Å²	116	103.7 Å²	103.7	50%	0.504	50%	0.498	S	S	.	.	H	α-helix	trans	-61.4	-44.3	-180	-166	-172.6	178	-156.3	0	113	Q87 L88 Q93 E94 E95	Q87-K91 PolarHBondContact O-N 3.3Å; L88-K91 PolarHBondContact O-N 2.88Å; K91-Q93 VanDerWaalsContact C-N 3.27Å; K91-Q93 PolarHBondContact O-N 3.36Å; K91-E94 WeakPolarHBondContact O-CB 3.35Å; K91-E94 PolarHBondContact O-N 3.06Å; K91-E95 VanDerWaalsContact CE-OE1 3.23Å; K91-E95 WeakPolarHBondContact CE-OE1 3.42Å; K91-E95 IonicContact NZ-OE1 3.84Å; K91-E95 WeakPolarHBondContact O-CG 3.24Å; K91-E95 PolarHBondContact O-N 2.74Å
92	H	84.6	Confident	82.3	Confident	112 Å²	112	103.5 Å²	103.5	52%	0.519	50%	0.496	S	S	.	.	H	α-helix	trans	-64.9	-31.6	174.2	-67.8	156.9	0	0	0	112.5	L88 I90 E95 L96	L88-H92 PolarHBondContact O-N 2.95Å; L88-H92 PolarHBondContact O-ND1 2.68Å; I90-H92 PolarHBondContact O-N 3.23Å; H92-E95 IonicContact CD2-OE2 3.66Å; H92-L96 VanDerWaalsContact O-CB 3.26Å; H92-L96 WeakPolarHBondContact O-CB 3.3Å; H92-L96 PolarHBondContact O-N 3.41Å
93	Q	82.6	Confident	83.3	Confident	114 Å²	114	108 Å²	108	53%	0.533	51%	0.508	S	S	.	.	H	α-helix	trans	-69.5	-39.4	174	-171.2	63.6	38	0	0	111.7	R89 I90 K91 L96 T97	R89-Q93 WeakPolarHBondContact O-CB 3.28Å; R89-Q93 PolarHBondContact O-N 3.44Å; I90-Q93 CarbonylContact O-C 3.56Å; I90-Q93 WeakPolarHBondContact O-CA 3.32Å; I90-Q93 WeakPolarHBondContact O-CB 3.19Å; I90-Q93 PolarHBondContact O-N 3.04Å; K91-Q93 VanDerWaalsContact C-N 3.27Å; K91-Q93 PolarHBondContact O-N 3.36Å; Q93-L96 PolarHBondContact O-N 3.5Å; Q93-T97 WeakPolarHBondContact O-CG2 3.39Å; Q93-T97 PolarHBondContact O-N 2.98Å; Q93-T97 PolarHBondContact O-OG1 3.41Å
94	E	86.7	Confident	84.2	Confident	113 Å²	113	103.3 Å²	103.3	53%	0.528	50%	0.496	S	S	.	.	H	α-helix	trans	-62.1	-51.1	173.2	-71.1	170.6	167.3	0	0	111	I90 K91 L96 T97 E98	I90-E94 HydrophobicContact CG2-CG 4.42Å; I90-E94 WeakPolarHBondContact O-CG 3.44Å; I90-E94 PolarHBondContact O-N 3.15Å; K91-E94 WeakPolarHBondContact O-CB 3.35Å; K91-E94 PolarHBondContact O-N 3.06Å; E94-L96 VanDerWaalsContact C-N 3.29Å; E94-L96 PolarHBondContact O-N 3.4Å; E94-T97 WeakPolarHBondContact CA-OG1 3.21Å; E94-T97 PolarHBondContact O-N 3.32Å; E94-T97 PolarHBondContact O-OG1 3.4Å; E94-E98 PolarHBondContact O-N 2.96Å
95	E	89.1	Confident	85	Confident	85 Å²	85	102.6 Å²	102.6	40%	0.397	49%	0.493	S	S	.	.	H	α-helix	trans	-56.9	-40.4	175.3	-71.8	172.2	-171.2	0	0	111.9	K91 H92 E98 L99	K91-E95 VanDerWaalsContact CE-OE1 3.23Å; K91-E95 WeakPolarHBondContact CE-OE1 3.42Å; K91-E95 IonicContact NZ-OE1 3.84Å; K91-E95 WeakPolarHBondContact O-CG 3.24Å; K91-E95 PolarHBondContact O-N 2.74Å; H92-E95 IonicContact CD2-OE2 3.66Å; E95-E98 PolarHBondContact O-N 3.32Å; E95-L99 WeakPolarHBondContact O-CB 3.01Å; E95-L99 WeakPolarHBondContact O-CG 3.34Å; E95-L99 PolarHBondContact O-N 3.19Å
96	L	84	Confident	86	Confident	77 Å²	77	103.5 Å²	103.5	40%	0.403	50%	0.499	S	S	.	.	H	α-helix	trans	-65.2	-40.4	174.9	-173.9	64.8	0	0	0	112.1	H92 Q93 E94 L99 H100	H92-L96 VanDerWaalsContact O-CB 3.26Å; H92-L96 WeakPolarHBondContact O-CB 3.3Å; H92-L96 PolarHBondContact O-N 3.41Å; Q93-L96 PolarHBondContact O-N 3.5Å; E94-L96 VanDerWaalsContact C-N 3.29Å; E94-L96 PolarHBondContact O-N 3.4Å; L96-L99 PolarHBondContact O-N 2.96Å; L96-H100 PolarHBondContact O-CD2 3.1Å; L96-H100 PolarHBondContact O-N 2.84Å
97	T	85.2	Confident	86.8	Confident	77 Å²	77	104.3 Å²	104.3	47%	0.472	51%	0.505	S	S	.	.	H	α-helix	trans	-67.9	-37.7	175	54.5	0	0	0	0	112.9	Q93 E94 H100 K101	Q93-T97 WeakPolarHBondContact O-CG2 3.39Å; Q93-T97 PolarHBondContact O-N 2.98Å; Q93-T97 PolarHBondContact O-OG1 3.41Å; E94-T97 WeakPolarHBondContact CA-OG1 3.21Å; E94-T97 PolarHBondContact O-N 3.32Å; E94-T97 PolarHBondContact O-OG1 3.4Å; T97-H100 PolarHBondContact O-N 3Å; T97-K101 PolarHBondContact O-N 2.88Å
98	E	89.6	Confident	87.5	Confident	111 Å²	111	102.4 Å²	102.4	52%	0.519	50%	0.497	S	S	.	.	H	α-helix	trans	-62.2	-43.2	171.5	-80.9	-148.7	169.1	0	0	112.3	E94 E95 H100 K101 K102	E94-E98 PolarHBondContact O-N 2.96Å; E95-E98 PolarHBondContact O-N 3.32Å; E98-H100 VanDerWaalsContact C-N 3.34Å; E98-H100 PolarHBondContact O-N 3.15Å; E98-K101 WeakPolarHBondContact O-CB 3.29Å; E98-K101 PolarHBondContact O-N 3Å; E98-K102 WeakPolarHBondContact O-CB 2.94Å; E98-K102 WeakPolarHBondContact O-CG 3.27Å; E98-K102 PolarHBondContact O-N 2.87Å; E98-K102 IonicContact OE2-NZ 3.13Å; E98-K102 PolarHBondContact OE2-NZ 2.85Å
99	L	88	Confident	88.1	Confident	112 Å²	112	103 Å²	103	59%	0.586	50%	0.5	S	S	*	.	H	α-helix	trans	-63.2	-40.2	177.1	-75.6	169.5	0	0	0	111.5	E95 L96 R103	E95-L99 WeakPolarHBondContact O-CB 3.01Å; E95-L99 WeakPolarHBondContact O-CG 3.34Å; E95-L99 PolarHBondContact O-N 3.19Å; L96-L99 PolarHBondContact O-N 2.96Å; L99-R103 VanDerWaalsContact O-CB 3.28Å; L99-R103 WeakPolarHBondContact O-CB 3.49Å; L99-R103 PolarHBondContact O-N 3.03Å
100	H	89.3	Confident	89	Confident	92 Å²	92	100.7 Å²	100.7	43%	0.426	50%	0.501	S	S	.	.	H	α-helix	trans	-64	-39.7	173.1	-77.9	-53.2	0	0	0	112.7	L96 T97 E98 R103 G104	L96-H100 PolarHBondContact O-CD2 3.1Å; L96-H100 PolarHBondContact O-N 2.84Å; T97-H100 PolarHBondContact O-N 3Å; E98-H100 VanDerWaalsContact C-N 3.34Å; E98-H100 PolarHBondContact O-N 3.15Å; H100-R103 PolarHBondContact O-N 2.81Å; H100-G104 PolarHBondContact O-N 2.81Å
101	K	92	Very high	89.5	Confident	140 Å²	140	100 Å²	100	61%	0.609	50%	0.498	S	S	*	.	H	α-helix	trans	-62.4	-52.8	174.8	-171.1	-171.7	179.5	-160.5	0	111.6	T97 E98 R103 G104 E105	T97-K101 PolarHBondContact O-N 2.88Å; E98-K101 WeakPolarHBondContact O-CB 3.29Å; E98-K101 PolarHBondContact O-N 3Å; K101-R103 VanDerWaalsContact C-N 3.27Å; K101-R103 PolarHBondContact O-N 2.94Å; K101-G104 WeakPolarHBondContact O-CA 3.49Å; K101-G104 PolarHBondContact O-N 3.12Å; K101-E105 WeakPolarHBondContact CE-OE1 3.4Å; K101-E105 IonicContact NZ-OE1 3.46Å; K101-E105 WeakPolarHBondContact O-CG 3.26Å; K101-E105 PolarHBondContact O-N 3.32Å
102	K	91.1	Very high	90	Very high	101 Å²	101	97.5 Å²	97.5	44%	0.439	49%	0.49	S	S	.	.	H	α-helix	trans	-58.1	-37.4	176.8	-74.1	164.1	177	155.8	0	112	E98 E105 L106	E98-K102 WeakPolarHBondContact O-CB 2.94Å; E98-K102 WeakPolarHBondContact O-CG 3.27Å; E98-K102 PolarHBondContact O-N 2.87Å; E98-K102 IonicContact OE2-NZ 3.13Å; E98-K102 PolarHBondContact OE2-NZ 2.85Å; K102-E105 PolarHBondContact O-N 3.29Å; K102-L106 WeakPolarHBondContact O-CB 3.37Å; K102-L106 WeakPolarHBondContact O-CG 3.43Å; K102-L106 PolarHBondContact O-N 2.96Å
103	R	88.9	Confident	90.4	Very high	170 Å²	170	96.8 Å²	96.8	64%	0.642	49%	0.489	S	S	*	.	H	α-helix	trans	-65.3	-37.8	173.9	-167.2	-177.4	75.3	-179.4	4.7	112.3	L99 H100 K101 A107	L99-R103 VanDerWaalsContact O-CB 3.28Å; L99-R103 WeakPolarHBondContact O-CB 3.49Å; L99-R103 PolarHBondContact O-N 3.03Å; H100-R103 PolarHBondContact O-N 2.81Å; K101-R103 VanDerWaalsContact C-N 3.27Å; K101-R103 PolarHBondContact O-N 2.94Å; R103-A107 WeakPolarHBondContact O-CB 3.47Å; R103-A107 PolarHBondContact O-N 3.25Å
104	G	90.3	Very high	91	Very high	40 Å²	40	94.4 Å²	94.4	41%	0.412	48%	0.48	S	S	.	.	H	α-helix	trans	-66	-45.3	173.8	0	0	0	0	0	112.6	H100 K101 L106 A107 Q108	H100-G104 PolarHBondContact O-N 2.81Å; K101-G104 WeakPolarHBondContact O-CA 3.49Å; K101-G104 PolarHBondContact O-N 3.12Å; G104-L106 PolarHBondContact O-N 2.91Å; G104-A107 PolarHBondContact O-N 3.32Å; G104-Q108 PolarHBondContact O-N 2.54Å
105	E	92.3	Very high	91.4	Very high	103 Å²	103	92.9 Å²	92.9	48%	0.481	48%	0.476	S	S	.	.	H	α-helix	trans	-59.6	-45.3	176	-68.7	166.6	177.5	0	0	111.7	K101 K102 Q108 L109	K101-E105 WeakPolarHBondContact CE-OE1 3.4Å; K101-E105 IonicContact NZ-OE1 3.46Å; K101-E105 WeakPolarHBondContact O-CG 3.26Å; K101-E105 PolarHBondContact O-N 3.32Å; K102-E105 PolarHBondContact O-N 3.29Å; E105-Q108 PolarHBondContact O-N 3.44Å; E105-L109 PolarHBondContact O-N 2.83Å
106	L	91.6	Very high	91.7	Very high	111 Å²	111	95 Å²	95	58%	0.581	49%	0.486	S	S	*	.	H	α-helix	trans	-65.5	-38.6	175.3	-72.2	170.4	0	0	0	112.8	K102 G104 L109 V110	K102-L106 WeakPolarHBondContact O-CB 3.37Å; K102-L106 WeakPolarHBondContact O-CG 3.43Å; K102-L106 PolarHBondContact O-N 2.96Å; G104-L106 PolarHBondContact O-N 2.91Å; L106-L109 PolarHBondContact O-N 3.47Å; L106-V110 WeakPolarHBondContact O-CG2 3.46Å; L106-V110 PolarHBondContact O-N 2.92Å
107	A	92	Very high	92.2	Very high	53 Å²	53	96.3 Å²	96.3	44%	0.438	49%	0.491	S	S	.	.	H	α-helix	trans	-64.3	-40.6	176.2	0	0	0	0	0	111.9	R103 G104 V110 I111	R103-A107 WeakPolarHBondContact O-CB 3.47Å; R103-A107 PolarHBondContact O-N 3.25Å; G104-A107 PolarHBondContact O-N 3.32Å; A107-V110 PolarHBondContact O-N 2.81Å; A107-I111 WeakPolarHBondContact O-CG1 3.49Å; A107-I111 PolarHBondContact O-N 3.29Å
108	Q	92.1	Very high	92.7	Very high	98 Å²	98	96.9 Å²	96.9	46%	0.458	49%	0.489	S	S	.	.	H	α-helix	trans	-64	-45	174.4	-173.6	59.6	46.6	0	0	111.5	G104 E105 V110 I111 D112	G104-Q108 PolarHBondContact O-N 2.54Å; E105-Q108 PolarHBondContact O-N 3.44Å; Q108-V110 VanDerWaalsContact C-N 3.28Å; Q108-V110 PolarHBondContact O-N 2.86Å; Q108-I111 WeakPolarHBondContact O-CB 3.32Å; Q108-I111 PolarHBondContact O-N 2.76Å; Q108-D112 PolarHBondContact NE2-OD1 2.99Å; Q108-D112 VanDerWaalsContact O-CG 3.31Å; Q108-D112 PolarHBondContact O-N 3.06Å
109	L	95.8	Very high	93	Very high	93 Å²	93	95.4 Å²	95.4	49%	0.487	48%	0.482	S	S	.	.	H	α-helix	trans	-59.8	-37.1	177.9	-177.4	62.9	0	0	0	112.6	E105 L106 D112 L113	E105-L109 PolarHBondContact O-N 2.83Å; L106-L109 PolarHBondContact O-N 3.47Å; L109-D112 PolarHBondContact O-N 3.46Å; L109-L113 HydrophobicContact CD1-CD1 4.36Å; L109-L113 HydrophobicContact CG-CD1 4.05Å; L109-L113 WeakPolarHBondContact O-CB 3.41Å; L109-L113 WeakPolarHBondContact O-CG 3.2Å; L109-L113 PolarHBondContact O-N 3.09Å
110	V	94.6	Very high	93.3	Very high	96 Å²	96	96.3 Å²	96.3	58%	0.582	48%	0.481	S	S	*	.	H	α-helix	trans	-65.5	-39.9	174.4	169	0	0	0	0	111.7	L106 A107 Q108 N114	L106-V110 WeakPolarHBondContact O-CG2 3.46Å; L106-V110 PolarHBondContact O-N 2.92Å; A107-V110 PolarHBondContact O-N 2.81Å; Q108-V110 VanDerWaalsContact C-N 3.28Å; Q108-V110 PolarHBondContact O-N 2.86Å; V110-N114 VanDerWaalsContact O-CB 3.29Å; V110-N114 WeakPolarHBondContact O-CB 3.48Å; V110-N114 PolarHBondContact O-N 3.06Å
111	I	95.4	Very high	93.6	Very high	86 Å²	86	95 Å²	95	44%	0.441	48%	0.477	S	S	.	.	H	α-helix	trans	-63.5	-46.3	174.9	-67.4	164.3	0	0	0	110.3	A107 Q108 N114 N115	A107-I111 WeakPolarHBondContact O-CG1 3.49Å; A107-I111 PolarHBondContact O-N 3.29Å; Q108-I111 WeakPolarHBondContact O-CB 3.32Å; Q108-I111 PolarHBondContact O-N 2.76Å; I111-N114 PolarHBondContact O-N 3.28Å; I111-N115 VanDerWaalsContact O-CG 3.24Å; I111-N115 PolarHBondContact O-N 2.84Å; I111-N115 PolarHBondContact O-ND2 3.39Å
112	D	94.1	Very high	93.8	Very high	64 Å²	64	94.6 Å²	94.6	34%	0.342	47%	0.472	S	S	.	.	H	α-helix	trans	-65.5	-41.7	-178.6	-63.4	-21.1	0	0	0	111.8	Q108 L109 N115 Q116	Q108-D112 PolarHBondContact NE2-OD1 2.99Å; Q108-D112 VanDerWaalsContact O-CG 3.31Å; Q108-D112 PolarHBondContact O-N 3.06Å; L109-D112 PolarHBondContact O-N 3.46Å; D112-N115 PolarHBondContact O-N 2.94Å; D112-Q116 WeakPolarHBondContact O-CG 3.45Å; D112-Q116 PolarHBondContact O-N 2.83Å
113	L	94.6	Very high	94	Very high	96 Å²	96	92.7 Å²	92.7	50%	0.503	46%	0.464	S	S	.	.	H	α-helix	trans	-62.6	-43	172.6	-80.6	165.1	0	0	0	112.3	L109 N115 Q116 M117	L109-L113 HydrophobicContact CD1-CD1 4.36Å; L109-L113 HydrophobicContact CG-CD1 4.05Å; L109-L113 WeakPolarHBondContact O-CB 3.41Å; L109-L113 WeakPolarHBondContact O-CG 3.2Å; L109-L113 PolarHBondContact O-N 3.09Å; L113-N115 VanDerWaalsContact C-N 3.33Å; L113-N115 PolarHBondContact O-N 3.48Å; L113-Q116 PolarHBondContact O-N 3.29Å; L113-M117 WeakPolarHBondContact O-CB 3.28Å; L113-M117 PolarHBondContact O-N 2.79Å
114	N	95.2	Very high	94.3	Very high	64 Å²	64	89.2 Å²	89.2	34%	0.342	46%	0.456	S	S	.	.	H	α-helix	trans	-64.2	-38.5	176.9	-179.4	76.6	0	0	0	111.8	V110 I111 M117 Q118	V110-N114 VanDerWaalsContact O-CB 3.29Å; V110-N114 WeakPolarHBondContact O-CB 3.48Å; V110-N114 PolarHBondContact O-N 3.06Å; I111-N114 PolarHBondContact O-N 3.28Å; N114-M117 PolarHBondContact O-N 3.41Å; N114-Q118 PolarHBondContact ND2-NE2 3.34Å; N114-Q118 WeakPolarHBondContact O-CG 3.45Å; N114-Q118 PolarHBondContact O-N 2.9Å
115	N	94.8	Very high	94.5	Very high	81 Å²	81	93 Å²	93	43%	0.433	46%	0.464	S	S	.	.	H	α-helix	trans	-65	-40.9	174.2	-70.1	-25.6	0	0	0	112	I111 D112 L113 Q119	I111-N115 VanDerWaalsContact O-CG 3.24Å; I111-N115 PolarHBondContact O-N 2.84Å; I111-N115 PolarHBondContact O-ND2 3.39Å; D112-N115 PolarHBondContact O-N 2.94Å; L113-N115 VanDerWaalsContact C-N 3.33Å; L113-N115 PolarHBondContact O-N 3.48Å; N115-Q119 WeakPolarHBondContact O-CB 3.37Å; N115-Q119 PolarHBondContact O-N 2.97Å
116	Q	94.7	Very high	94.6	Very high	129 Å²	129	92.6 Å²	92.6	60%	0.603	46%	0.463	S	S	*	.	H	α-helix	trans	-64.9	-40.4	174	-72	179.4	25.7	0	0	112.2	D112 L113 Q119 K120	D112-Q116 WeakPolarHBondContact O-CG 3.45Å; D112-Q116 PolarHBondContact O-N 2.83Å; L113-Q116 PolarHBondContact O-N 3.29Å; Q116-Q119 WeakPolarHBondContact O-CB 3.28Å; Q116-Q119 PolarHBondContact O-N 3.34Å; Q116-K120 WeakPolarHBondContact O-CG 3.36Å; Q116-K120 PolarHBondContact O-N 2.86Å
117	M	95.5	Very high	94.7	Very high	105 Å²	105	91.1 Å²	91.1	52%	0.517	46%	0.455	S	S	.	.	H	α-helix	trans	-60.6	-51.5	175.3	-173.7	177.2	71.1	0	0	111	L113 N114 Q119 K120 D121	L113-M117 WeakPolarHBondContact O-CB 3.28Å; L113-M117 PolarHBondContact O-N 2.79Å; N114-M117 PolarHBondContact O-N 3.41Å; M117-Q119 PolarHBondContact O-N 3.15Å; M117-K120 CarbonylContact O-C 3.59Å; M117-K120 WeakPolarHBondContact O-CA 3.2Å; M117-K120 WeakPolarHBondContact O-CB 3.47Å; M117-K120 PolarHBondContact O-N 3.5Å; M117-D121 PolarHBondContact O-N 2.86Å
118	Q	95.7	Very high	94.9	Very high	90 Å²	90	94 Å²	94	42%	0.421	46%	0.46	S	S	.	.	H	α-helix	trans	-61.2	-30.1	176.5	-71.5	-178.3	2.4	0	0	113.7	N114 R122	N114-Q118 PolarHBondContact ND2-NE2 3.34Å; N114-Q118 WeakPolarHBondContact O-CG 3.45Å; N114-Q118 PolarHBondContact O-N 2.9Å; Q118-R122 WeakPolarHBondContact O-CG 3.46Å; Q118-R122 PolarHBondContact O-N 2.88Å; Q118-R122 PolarHBondContact O-NE 3.06Å; Q118-R122 VanDerWaalsContact O-NE 3.08Å
119	Q	94.5	Very high	95.1	Very high	80 Å²	80	92.1 Å²	92.1	37%	0.374	46%	0.461	S	S	.	.	H	α-helix	trans	-69.9	-41.2	172.9	178.1	60.6	32.3	0	0	111	N115 Q116 M117 R122 E123	N115-Q119 WeakPolarHBondContact O-CB 3.37Å; N115-Q119 PolarHBondContact O-N 2.97Å; Q116-Q119 WeakPolarHBondContact O-CB 3.28Å; Q116-Q119 PolarHBondContact O-N 3.34Å; M117-Q119 PolarHBondContact O-N 3.15Å; Q119-R122 PolarHBondContact O-N 3.36Å; Q119-E123 PolarHBondContact NE2-OE1 3.06Å; Q119-E123 WeakPolarHBondContact O-CG 3.34Å; Q119-E123 PolarHBondContact O-N 3.18Å
120	K	94.2	Very high	95.1	Very high	130 Å²	130	92.5 Å²	92.5	57%	0.565	46%	0.459	S	S	*	.	H	α-helix	trans	-67.8	-37.6	175.8	-71	-71.6	159.9	-156.2	0	112.9	Q116 M117 R122 E123 M124	Q116-K120 WeakPolarHBondContact O-CG 3.36Å; Q116-K120 PolarHBondContact O-N 2.86Å; M117-K120 CarbonylContact O-C 3.59Å; M117-K120 WeakPolarHBondContact O-CA 3.2Å; M117-K120 WeakPolarHBondContact O-CB 3.47Å; M117-K120 PolarHBondContact O-N 3.5Å; K120-R122 VanDerWaalsContact C-N 3.34Å; K120-R122 PolarHBondContact O-N 3.02Å; K120-E123 IonicContact NZ-OE1 2.6Å; K120-E123 IonicContact NZ-OE2 3.52Å; K120-E123 PolarHBondContact NZ-OE2 3.4Å; K120-E123 PolarHBondContact O-N 3.31Å; K120-M124 WeakPolarHBondContact O-CB 3.29Å; K120-M124 PolarHBondContact O-N 2.97Å
121	D	95.3	Very high	95.1	Very high	65 Å²	65	92.9 Å²	92.9	35%	0.348	46%	0.457	S	S	.	.	H	α-helix	trans	-61.9	-41.9	173.6	-67.3	-34	0	0	0	111.5	M117 M124 Q125	M117-D121 PolarHBondContact O-N 2.86Å; D121-M124 PolarHBondContact O-N 2.89Å; D121-Q125 WeakPolarHBondContact O-CG 3.39Å; D121-Q125 PolarHBondContact O-N 3.37Å
122	R	96.3	Very high	95.1	Very high	131 Å²	131	91.5 Å²	91.5	49%	0.494	46%	0.458	S	S	.	.	H	α-helix	trans	-66	-38.7	175	-78.5	179.4	-84.1	122.8	-3.1	112.7	Q118 Q119 K120 M126	Q118-R122 WeakPolarHBondContact O-CG 3.46Å; Q118-R122 PolarHBondContact O-N 2.88Å; Q118-R122 PolarHBondContact O-NE 3.06Å; Q118-R122 VanDerWaalsContact O-NE 3.08Å; Q119-R122 PolarHBondContact O-N 3.36Å; K120-R122 VanDerWaalsContact C-N 3.34Å; K120-R122 PolarHBondContact O-N 3.02Å; R122-M126 WeakPolarHBondContact O-CB 3.42Å; R122-M126 PolarHBondContact O-N 3.24Å; R122-M126 VanDerWaalsContact O-N 3.1Å
123	E	95.3	Very high	95.2	Very high	61 Å²	61	94.9 Å²	94.9	29%	0.285	47%	0.472	S	S	.	.	H	α-helix	trans	-65.1	-39.4	172.8	-74.6	168.2	-157	0	0	112.1	Q119 K120 N127	Q119-E123 PolarHBondContact NE2-OE1 3.06Å; Q119-E123 WeakPolarHBondContact O-CG 3.34Å; Q119-E123 PolarHBondContact O-N 3.18Å; K120-E123 IonicContact NZ-OE1 2.6Å; K120-E123 IonicContact NZ-OE2 3.52Å; K120-E123 PolarHBondContact NZ-OE2 3.4Å; K120-E123 PolarHBondContact O-N 3.31Å; E123-N127 VanDerWaalsContact O-CG 3.23Å; E123-N127 PolarHBondContact O-N 3.44Å; E123-N127 VanDerWaalsContact O-N 3.07Å; E123-N127 PolarHBondContact O-ND2 2.92Å
124	M	95.3	Very high	95.1	Very high	97 Å²	97	93.9 Å²	93.9	48%	0.478	47%	0.472	S	S	.	.	H	α-helix	trans	-64.1	-50.8	176.7	-174	169.2	66.6	0	0	111.3	K120 D121 M126 N127 E128	K120-M124 WeakPolarHBondContact O-CB 3.29Å; K120-M124 PolarHBondContact O-N 2.97Å; D121-M124 PolarHBondContact O-N 2.89Å; M124-M126 VanDerWaalsContact C-N 3.32Å; M124-M126 PolarHBondContact O-N 3.49Å; M124-N127 CarbonylContact O-C 3.6Å; M124-N127 PolarHBondContact O-N 3.33Å; M124-E128 WeakPolarHBondContact O-CG 3.34Å; M124-E128 PolarHBondContact O-N 3.14Å
125	Q	95.8	Very high	95.2	Very high	121 Å²	121	96 Å²	96	57%	0.565	48%	0.483	S	S	*	.	H	α-helix	trans	-58.2	-41.2	176.6	-72.2	171.7	2.3	0	0	112.6	D121 N127 E128 A129	D121-Q125 WeakPolarHBondContact O-CG 3.39Å; D121-Q125 PolarHBondContact O-N 3.37Å; Q125-N127 VanDerWaalsContact C-N 3.32Å; Q125-N127 PolarHBondContact O-N 2.71Å; Q125-E128 PolarHBondContact O-N 2.97Å; Q125-A129 PolarHBondContact O-N 3.09Å
126	M	94.9	Very high	95.3	Very high	93 Å²	93	97.3 Å²	97.3	46%	0.458	49%	0.486	S	S	.	.	H	α-helix	trans	-63.4	-38.3	175	-176.6	-171	58.2	0	0	111.8	R122 M124 K130	R122-M126 WeakPolarHBondContact O-CB 3.42Å; R122-M126 PolarHBondContact O-N 3.24Å; R122-M126 VanDerWaalsContact O-N 3.1Å; M124-M126 VanDerWaalsContact C-N 3.32Å; M124-M126 PolarHBondContact O-N 3.49Å; M126-K130 WeakPolarHBondContact O-CG 3.34Å; M126-K130 PolarHBondContact O-N 2.97Å
127	N	93.4	Very high	95.3	Very high	80 Å²	80	94.6 Å²	94.6	43%	0.428	48%	0.479	S	S	.	.	H	α-helix	trans	-73.5	-36.8	178.4	-69.9	-24.3	0	0	0	112	E123 M124 Q125 K130 I131	E123-N127 VanDerWaalsContact O-CG 3.23Å; E123-N127 PolarHBondContact O-N 3.44Å; E123-N127 VanDerWaalsContact O-N 3.07Å; E123-N127 PolarHBondContact O-ND2 2.92Å; M124-N127 CarbonylContact O-C 3.6Å; M124-N127 PolarHBondContact O-N 3.33Å; Q125-N127 VanDerWaalsContact C-N 3.32Å; Q125-N127 PolarHBondContact O-N 2.71Å; N127-K130 PolarHBondContact O-N 3.45Å; N127-I131 VanDerWaalsContact O-CG1 3.26Å; N127-I131 WeakPolarHBondContact O-CG1 3.08Å; N127-I131 PolarHBondContact O-N 3.08Å
128	E	96.6	Very high	95.2	Very high	113 Å²	113	93.7 Å²	93.7	53%	0.528	48%	0.475	S	S	.	.	H	α-helix	trans	-60.6	-44.4	172.3	-72.9	178.1	159.1	0	0	111.7	M124 Q125 K130 I131 A132	M124-E128 WeakPolarHBondContact O-CG 3.34Å; M124-E128 PolarHBondContact O-N 3.14Å; Q125-E128 PolarHBondContact O-N 2.97Å; E128-K130 PolarHBondContact O-N 2.91Å; E128-I131 PolarHBondContact O-N 3.44Å; E128-A132 PolarHBondContact O-N 2.81Å
129	A	95.6	Very high	95.3	Very high	60 Å²	60	92 Å²	92	50%	0.496	47%	0.474	S	S	.	.	H	α-helix	trans	-59.7	-44.4	175.2	0	0	0	0	0	112.4	Q125 I131 A132 E133	Q125-A129 PolarHBondContact O-N 3.09Å; A129-I131 VanDerWaalsContact C-N 3.35Å; A129-I131 PolarHBondContact O-N 2.87Å; A129-A132 PolarHBondContact O-N 3.12Å; A129-E133 PolarHBondContact O-N 3.01Å
130	K	95.4	Very high	95.3	Very high	101 Å²	101	92.1 Å²	92.1	44%	0.439	48%	0.476	S	S	.	.	H	α-helix	trans	-64.3	-36.8	175.2	-71.8	171.4	-177.6	175	0	112.8	M126 N127 E128 E133 C134	M126-K130 WeakPolarHBondContact O-CG 3.34Å; M126-K130 PolarHBondContact O-N 2.97Å; N127-K130 PolarHBondContact O-N 3.45Å; E128-K130 PolarHBondContact O-N 2.91Å; K130-E133 PolarHBondContact O-N 3.33Å; K130-C134 WeakPolarHBondContact O-CB 3.39Å; K130-C134 PolarHBondContact O-N 2.9Å; K130-C134 PolarHBondContact O-SG 2.78Å; K130-C134 VanDerWaalsContact O-SG 3.33Å
131	I	94.3	Very high	95.3	Very high	103 Å²	103	90.2 Å²	90.2	53%	0.528	47%	0.472	S	S	.	.	H	α-helix	trans	-65.7	-41.8	175.6	-71.2	163.6	0	0	0	110	N127 E128 A129 C134 L135	N127-I131 VanDerWaalsContact O-CG1 3.26Å; N127-I131 WeakPolarHBondContact O-CG1 3.08Å; N127-I131 PolarHBondContact O-N 3.08Å; E128-I131 PolarHBondContact O-N 3.44Å; A129-I131 VanDerWaalsContact C-N 3.35Å; A129-I131 PolarHBondContact O-N 2.87Å; I131-C134 PolarHBondContact O-N 3.25Å; I131-L135 HydrophobicContact CG2-CD1 3.95Å; I131-L135 HydrophobicContact CG2-CG 4.42Å; I131-L135 WeakPolarHBondContact O-CB 3.38Å; I131-L135 VanDerWaalsContact O-CG 3.27Å; I131-L135 WeakPolarHBondContact O-CG 3.4Å; I131-L135 PolarHBondContact O-N 2.84Å
132	A	96.1	Very high	95.4	Very high	58 Å²	58	93.4 Å²	93.4	48%	0.479	49%	0.485	S	S	.	.	H	α-helix	trans	-62.9	-43.3	175.8	0	0	0	0	0	112.6	E128 A129 L135 Q136	E128-A132 PolarHBondContact O-N 2.81Å; A129-A132 PolarHBondContact O-N 3.12Å; A132-L135 PolarHBondContact O-N 2.94Å; A132-Q136 PolarHBondContact O-N 3.15Å
133	E	95.8	Very high	95.4	Very high	134 Å²	134	91.4 Å²	91.4	63%	0.626	49%	0.488	S	S	*	.	H	α-helix	trans	-61.4	-44.9	175	-175.7	179	-164.9	0	0	112.1	A129 K130 L135 Q136 T137	A129-E133 PolarHBondContact O-N 3.01Å; K130-E133 PolarHBondContact O-N 3.33Å; E133-L135 PolarHBondContact O-N 2.77Å; E133-Q136 PolarHBondContact O-N 3.22Å; E133-T137 WeakPolarHBondContact O-CB 3.45Å; E133-T137 PolarHBondContact O-N 2.87Å; E133-T137 PolarHBondContact O-OG1 2.99Å
134	C	92.9	Very high	95.5	Very high	75 Å²	75	93.5 Å²	93.5	51%	0.507	50%	0.497	S	S	.	.	H	α-helix	trans	-61.7	-41.3	174.1	-76.3	0	0	0	0	112.3	K130 I131 T137 I138	K130-C134 WeakPolarHBondContact O-CB 3.39Å; K130-C134 PolarHBondContact O-N 2.9Å; K130-C134 PolarHBondContact O-SG 2.78Å; K130-C134 VanDerWaalsContact O-SG 3.33Å; I131-C134 PolarHBondContact O-N 3.25Å; C134-T137 PolarHBondContact O-N 2.98Å; C134-I138 WeakPolarHBondContact O-CD1 3.32Å; C134-I138 VanDerWaalsContact O-CG1 3.25Å; C134-I138 WeakPolarHBondContact O-CG1 3.33Å; C134-I138 PolarHBondContact O-N 3.48Å
135	L	96.6	Very high	95.4	Very high	109 Å²	109	92 Å²	92	57%	0.571	50%	0.496	S	S	*	.	H	α-helix	trans	-66.1	-40	178.1	-75	170.5	0	0	0	112.2	I131 A132 E133 I138 S139	I131-L135 HydrophobicContact CG2-CD1 3.95Å; I131-L135 HydrophobicContact CG2-CG 4.42Å; I131-L135 WeakPolarHBondContact O-CB 3.38Å; I131-L135 VanDerWaalsContact O-CG 3.27Å; I131-L135 WeakPolarHBondContact O-CG 3.4Å; I131-L135 PolarHBondContact O-N 2.84Å; A132-L135 PolarHBondContact O-N 2.94Å; E133-L135 PolarHBondContact O-N 2.77Å; L135-I138 PolarHBondContact O-N 2.81Å; L135-S139 PolarHBondContact O-N 2.72Å
136	Q	96.8	Very high	95.4	Very high	108 Å²	108	91.7 Å²	91.7	51%	0.505	50%	0.497	S	S	.	.	H	α-helix	trans	-62.2	-48	173	-173.4	60.5	53.2	0	0	110.8	A132 E133 I138 S139 D140	A132-Q136 PolarHBondContact O-N 3.15Å; E133-Q136 PolarHBondContact O-N 3.22Å; Q136-I138 VanDerWaalsContact C-N 3.28Å; Q136-I138 PolarHBondContact O-N 2.82Å; Q136-S139 WeakPolarHBondContact O-CB 3.13Å; Q136-S139 PolarHBondContact O-N 3.38Å; Q136-D140 PolarHBondContact NE2-OD1 2.61Å; Q136-D140 VanDerWaalsContact O-CG 3.26Å; Q136-D140 PolarHBondContact O-N 3.47Å
137	T	96.2	Very high	95.5	Very high	72 Å²	72	92.1 Å²	92.1	44%	0.442	50%	0.498	S	S	.	.	H	α-helix	trans	-58.4	-39.5	178.1	-52.1	0	0	0	0	112.1	E133 C134 D140 L141	E133-T137 WeakPolarHBondContact O-CB 3.45Å; E133-T137 PolarHBondContact O-N 2.87Å; E133-T137 PolarHBondContact O-OG1 2.99Å; C134-T137 PolarHBondContact O-N 2.98Å; T137-D140 PolarHBondContact O-N 2.95Å; T137-L141 HydrophobicContact CG2-CD1 4.13Å; T137-L141 WeakPolarHBondContact O-CB 3.46Å; T137-L141 VanDerWaalsContact O-CG 3.28Å; T137-L141 WeakPolarHBondContact O-CG 3.34Å; T137-L141 PolarHBondContact O-N 3.21Å
138	I	93.4	Very high	95.5	Very high	87 Å²	87	92.8 Å²	92.8	45%	0.446	50%	0.501	S	S	.	.	H	α-helix	trans	-63.8	-46.3	174.4	-70.9	162.9	0	0	0	110.8	C134 L135 Q136 D140 L141 E142	C134-I138 WeakPolarHBondContact O-CD1 3.32Å; C134-I138 VanDerWaalsContact O-CG1 3.25Å; C134-I138 WeakPolarHBondContact O-CG1 3.33Å; C134-I138 PolarHBondContact O-N 3.48Å; L135-I138 PolarHBondContact O-N 2.81Å; Q136-I138 VanDerWaalsContact C-N 3.28Å; Q136-I138 PolarHBondContact O-N 2.82Å; I138-D140 VanDerWaalsContact C-N 3.34Å; I138-D140 PolarHBondContact O-N 2.93Å; I138-L141 PolarHBondContact O-N 3.05Å; I138-E142 HydrophobicContact CG2-CG 4.41Å; I138-E142 WeakPolarHBondContact O-CB 3.49Å; I138-E142 WeakPolarHBondContact O-CG 3.47Å; I138-E142 PolarHBondContact O-N 2.82Å
139	S	97.3	Very high	95.4	Very high	55 Å²	55	96.1 Å²	96.1	39%	0.385	51%	0.509	S	S	.	.	H	α-helix	trans	-58.4	-44.9	176.9	-176.5	0	0	0	0	111.9	L135 Q136 E142 T143	L135-S139 PolarHBondContact O-N 2.72Å; Q136-S139 WeakPolarHBondContact O-CB 3.13Å; Q136-S139 PolarHBondContact O-N 3.38Å; S139-E142 PolarHBondContact O-N 3Å; S139-T143 WeakPolarHBondContact O-CG2 3.25Å; S139-T143 PolarHBondContact O-N 3.32Å
140	D	94.9	Very high	95.5	Very high	81 Å²	81	96.7 Å²	96.7	43%	0.433	51%	0.506	S	S	.	.	H	α-helix	trans	-63.9	-46.9	-179.7	-61.3	-19.3	0	0	0	110.4	Q136 T137 I138 E142 T143 E144	Q136-D140 PolarHBondContact NE2-OD1 2.61Å; Q136-D140 VanDerWaalsContact O-CG 3.26Å; Q136-D140 PolarHBondContact O-N 3.47Å; T137-D140 PolarHBondContact O-N 2.95Å; I138-D140 VanDerWaalsContact C-N 3.34Å; I138-D140 PolarHBondContact O-N 2.93Å; D140-E142 VanDerWaalsContact C-N 3.33Å; D140-E142 PolarHBondContact O-N 2.87Å; D140-T143 PolarHBondContact O-N 2.94Å; D140-T143 VanDerWaalsContact O-N 3.15Å; D140-T143 PolarHBondContact O-OG1 2.8Å; D140-E144 PolarHBondContact O-N 2.78Å
141	L	94	Very high	95.5	Very high	91 Å²	91	96.6 Å²	96.6	48%	0.476	51%	0.506	S	S	.	.	H	α-helix	trans	-62.8	-34	174.9	-72	170.3	0	0	0	113.4	T137 I138 C145	T137-L141 HydrophobicContact CG2-CD1 4.13Å; T137-L141 WeakPolarHBondContact O-CB 3.46Å; T137-L141 VanDerWaalsContact O-CG 3.28Å; T137-L141 WeakPolarHBondContact O-CG 3.34Å; T137-L141 PolarHBondContact O-N 3.21Å; I138-L141 PolarHBondContact O-N 3.05Å; L141-C145 VanDerWaalsContact O-CB 3.26Å; L141-C145 WeakPolarHBondContact O-CB 3.43Å; L141-C145 PolarHBondContact O-N 2.85Å; L141-C145 PolarHBondContact O-SG 2.86Å
142	E	96.9	Very high	95.4	Very high	132 Å²	132	96.4 Å²	96.4	62%	0.617	51%	0.505	S	S	*	.	H	α-helix	trans	-65.8	-39.5	173.7	-78.6	-176.6	169.1	0	0	111.5	I138 S139 D140 C145 L146	I138-E142 HydrophobicContact CG2-CG 4.41Å; I138-E142 WeakPolarHBondContact O-CB 3.49Å; I138-E142 WeakPolarHBondContact O-CG 3.47Å; I138-E142 PolarHBondContact O-N 2.82Å; S139-E142 PolarHBondContact O-N 3Å; D140-E142 VanDerWaalsContact C-N 3.33Å; D140-E142 PolarHBondContact O-N 2.87Å; E142-C145 PolarHBondContact O-N 2.89Å; E142-L146 PolarHBondContact O-N 3.43Å
143	T	96.7	Very high	95.4	Very high	89 Å²	89	95.7 Å²	95.7	55%	0.546	50%	0.497	S	S	.	.	H	α-helix	trans	-67.6	-42.4	174.9	64.1	0	0	0	0	112.4	S139 D140 C145 L146 E147	S139-T143 WeakPolarHBondContact O-CG2 3.25Å; S139-T143 PolarHBondContact O-N 3.32Å; D140-T143 PolarHBondContact O-N 2.94Å; D140-T143 VanDerWaalsContact O-N 3.15Å; D140-T143 PolarHBondContact O-OG1 2.8Å; T143-C145 PolarHBondContact O-N 3.25Å; T143-L146 WeakPolarHBondContact O-CB 3.44Å; T143-L146 PolarHBondContact O-N 3.48Å; T143-L146 VanDerWaalsContact O-N 3.15Å; T143-E147 PolarHBondContact O-N 3.44Å
144	E	96.1	Very high	95.4	Very high	104 Å²	104	93.4 Å²	93.4	49%	0.486	49%	0.488	S	S	.	.	H	α-helix	trans	-62.7	-42.7	174.8	-172.4	-177.4	-170	0	0	111.1	D140 L146 E147 L148	D140-E144 PolarHBondContact O-N 2.78Å; E144-L146 PolarHBondContact O-N 2.91Å; E144-E147 PolarHBondContact O-N 3.46Å; E144-L148 HydrophobicContact CG-CD1 4.05Å; E144-L148 HydrophobicContact CG-CG 4.35Å; E144-L148 WeakPolarHBondContact O-CB 3.25Å; E144-L148 WeakPolarHBondContact O-CG 3.47Å; E144-L148 PolarHBondContact O-N 3.31Å
145	C	93.5	Very high	95.5	Very high	67 Å²	67	95.1 Å²	95.1	45%	0.453	49%	0.492	S	S	.	.	H	α-helix	trans	-59.8	-34.4	174.6	-77.8	0	0	0	0	112.6	L141 E142 T143 R149	L141-C145 VanDerWaalsContact O-CB 3.26Å; L141-C145 WeakPolarHBondContact O-CB 3.43Å; L141-C145 PolarHBondContact O-N 2.85Å; L141-C145 PolarHBondContact O-SG 2.86Å; E142-C145 PolarHBondContact O-N 2.89Å; T143-C145 PolarHBondContact O-N 3.25Å; C145-R149 VanDerWaalsContact O-CD 3.27Å; C145-R149 WeakPolarHBondContact O-CD 3.44Å; C145-R149 WeakPolarHBondContact O-CG 3.43Å; C145-R149 PolarHBondContact O-N 3.38Å
146	L	96.8	Very high	95.4	Very high	114 Å²	114	95.7 Å²	95.7	60%	0.597	49%	0.492	S	S	*	.	H	α-helix	trans	-71.2	-43.5	175.6	-174.8	62.4	0	0	0	111.5	E142 T143 E144 R149 T150	E142-L146 PolarHBondContact O-N 3.43Å; T143-L146 WeakPolarHBondContact O-CB 3.44Å; T143-L146 PolarHBondContact O-N 3.48Å; T143-L146 VanDerWaalsContact O-N 3.15Å; E144-L146 PolarHBondContact O-N 2.91Å; L146-R149 WeakPolarHBondContact O-CB 3.43Å; L146-R149 PolarHBondContact O-N 3.2Å; L146-T150 PolarHBondContact O-N 3.28Å; L146-T150 VanDerWaalsContact O-N 3.09Å
147	E	96.1	Very high	95.4	Very high	102 Å²	102	97.7 Å²	97.7	48%	0.477	50%	0.495	S	S	.	.	H	α-helix	trans	-67.4	-35.9	178.2	-160.1	-168.4	154	0	0	112.6	T143 E144 R149 T150 K151	T143-E147 PolarHBondContact O-N 3.44Å; E144-E147 PolarHBondContact O-N 3.46Å; E147-R149 VanDerWaalsContact C-N 3.33Å; E147-T150 PolarHBondContact O-N 2.94Å; E147-T150 PolarHBondContact O-OG1 3.49Å; E147-K151 VanDerWaalsContact CD-NZ 3.35Å; E147-K151 WeakPolarHBondContact O-CB 3.43Å; E147-K151 VanDerWaalsContact O-CG 3.31Å; E147-K151 WeakPolarHBondContact O-CG 3.44Å; E147-K151 PolarHBondContact O-N 3.41Å; E147-K151 VanDerWaalsContact O-N 3.09Å; E147-K151 WeakPolarHBondContact OE1-CE 3.29Å; E147-K151 IonicContact OE1-NZ 3.18Å; E147-K151 PolarHBondContact OE1-NZ 3.06Å
148	L	93.5	Very high	95.3	Very high	93 Å²	93	96.5 Å²	96.5	49%	0.487	49%	0.493	S	S	.	.	H	α-helix	trans	-66.8	-34.9	172.9	-71.2	172.8	0	0	0	111.9	E144 L152	E144-L148 HydrophobicContact CG-CD1 4.05Å; E144-L148 HydrophobicContact CG-CG 4.35Å; E144-L148 WeakPolarHBondContact O-CB 3.25Å; E144-L148 WeakPolarHBondContact O-CG 3.47Å; E144-L148 PolarHBondContact O-N 3.31Å; L148-L152 VanDerWaalsContact O-CB 3.26Å; L148-L152 WeakPolarHBondContact O-CB 3.42Å; L148-L152 PolarHBondContact O-N 3.27Å
149	R	95.6	Very high	95.3	Very high	184 Å²	184	96.7 Å²	96.7	69%	0.694	49%	0.494	S	S	*	.	H	α-helix	trans	-68.2	-38.9	175.4	-75.1	164.6	-173.9	-92.8	3	112.7	C145 L146 E147 C153	C145-R149 VanDerWaalsContact O-CD 3.27Å; C145-R149 WeakPolarHBondContact O-CD 3.44Å; C145-R149 WeakPolarHBondContact O-CG 3.43Å; C145-R149 PolarHBondContact O-N 3.38Å; L146-R149 WeakPolarHBondContact O-CB 3.43Å; L146-R149 PolarHBondContact O-N 3.2Å; E147-R149 VanDerWaalsContact C-N 3.33Å; R149-C153 PolarHBondContact O-N 2.76Å; R149-C153 VanDerWaalsContact O-N 3.1Å
150	T	96.7	Very high	95.2	Very high	72 Å²	72	98.5 Å²	98.5	44%	0.442	50%	0.497	S	S	.	.	H	α-helix	trans	-67.5	-48.4	175.8	54.1	0	0	0	0	110.9	L146 E147 L152 C153 D154	L146-T150 PolarHBondContact O-N 3.28Å; L146-T150 VanDerWaalsContact O-N 3.09Å; E147-T150 PolarHBondContact O-N 2.94Å; E147-T150 PolarHBondContact O-OG1 3.49Å; T150-L152 VanDerWaalsContact C-N 3.27Å; T150-L152 PolarHBondContact O-N 2.87Å; T150-C153 WeakPolarHBondContact O-CB 3.45Å; T150-C153 PolarHBondContact O-N 3.46Å; T150-C153 VanDerWaalsContact O-N 3.09Å; T150-D154 PolarHBondContact O-N 3.03Å
151	K	95.9	Very high	95.3	Very high	99 Å²	99	98.1 Å²	98.1	43%	0.43	50%	0.497	S	S	.	.	H	α-helix	trans	-55.1	-40.5	174.3	-73.4	170	-178.9	166.5	0	112.8	E147 D154 L155	E147-K151 VanDerWaalsContact CD-NZ 3.35Å; E147-K151 WeakPolarHBondContact O-CB 3.43Å; E147-K151 VanDerWaalsContact O-CG 3.31Å; E147-K151 WeakPolarHBondContact O-CG 3.44Å; E147-K151 PolarHBondContact O-N 3.41Å; E147-K151 VanDerWaalsContact O-N 3.09Å; E147-K151 WeakPolarHBondContact OE1-CE 3.29Å; E147-K151 IonicContact OE1-NZ 3.18Å; E147-K151 PolarHBondContact OE1-NZ 3.06Å; K151-D154 PolarHBondContact O-N 3.17Å; K151-L155 WeakPolarHBondContact O-CB 3.28Å; K151-L155 WeakPolarHBondContact O-CG 3.45Å; K151-L155 PolarHBondContact O-N 2.94Å
152	L	92.3	Very high	95.3	Very high	98 Å²	98	98.8 Å²	98.8	51%	0.513	50%	0.501	S	S	.	.	H	α-helix	trans	-64.9	-44.5	176.5	-176.6	140.9	0	0	0	111.7	L148 T150 D154 L155 E156	L148-L152 VanDerWaalsContact O-CB 3.26Å; L148-L152 WeakPolarHBondContact O-CB 3.42Å; L148-L152 PolarHBondContact O-N 3.27Å; T150-L152 VanDerWaalsContact C-N 3.27Å; T150-L152 PolarHBondContact O-N 2.87Å; L152-D154 VanDerWaalsContact C-N 3.34Å; L152-D154 PolarHBondContact O-N 3.49Å; L152-L155 PolarHBondContact O-N 2.81Å; L152-E156 HydrophobicContact CD2-CG 4.28Å; L152-E156 WeakPolarHBondContact CD2-OE1 3.32Å; L152-E156 WeakPolarHBondContact O-CG 3.29Å; L152-E156 PolarHBondContact O-N 2.68Å
153	C	96.6	Very high	95.2	Very high	44 Å²	44	98.1 Å²	98.1	30%	0.297	50%	0.496	S	S	.	.	H	α-helix	trans	-62.9	-38.2	176.9	-168.8	0	0	0	0	112.6	R149 T150 E156 R157	R149-C153 PolarHBondContact O-N 2.76Å; R149-C153 VanDerWaalsContact O-N 3.1Å; T150-C153 WeakPolarHBondContact O-CB 3.45Å; T150-C153 PolarHBondContact O-N 3.46Å; T150-C153 VanDerWaalsContact O-N 3.09Å; C153-E156 PolarHBondContact O-N 2.72Å; C153-R157 WeakPolarHBondContact O-CG 3.47Å; C153-R157 PolarHBondContact O-N 3.27Å; C153-R157 VanDerWaalsContact O-N 3.07Å; C153-R157 PolarHBondContact SG-NH2 2.99Å; C153-R157 VanDerWaalsContact SG-NH2 3.44Å
154	D	95.4	Very high	95.2	Very high	85 Å²	85	98 Å²	98	46%	0.455	49%	0.492	S	S	.	.	H	α-helix	trans	-69	-39.1	176.3	-68.6	-31.5	0	0	0	112.2	T150 K151 L152 R157 A158	T150-D154 PolarHBondContact O-N 3.03Å; K151-D154 PolarHBondContact O-N 3.17Å; L152-D154 VanDerWaalsContact C-N 3.34Å; L152-D154 PolarHBondContact O-N 3.49Å; D154-R157 PolarHBondContact O-N 3.25Å; D154-R157 IonicContact OD1-CZ 2.7Å; D154-R157 IonicContact OD1-NH1 3.63Å; D154-R157 PolarHBondContact OD1-NH1 2.81Å; D154-A158 PolarHBondContact O-N 2.92Å
155	L	94	Very high	95.2	Very high	112 Å²	112	98.6 Å²	98.6	59%	0.586	50%	0.495	S	S	*	.	H	α-helix	trans	-66.2	-35.7	172.7	-75.5	169.6	0	0	0	112.6	K151 L152 N159	K151-L155 WeakPolarHBondContact O-CB 3.28Å; K151-L155 WeakPolarHBondContact O-CG 3.45Å; K151-L155 PolarHBondContact O-N 2.94Å; L152-L155 PolarHBondContact O-N 2.81Å; L155-N159 WeakPolarHBondContact O-CB 3.45Å; L155-N159 PolarHBondContact O-N 2.92Å; L155-N159 PolarHBondContact O-ND2 3.41Å
156	E	95.4	Very high	95.3	Very high	120 Å²	120	102.2 Å²	102.2	56%	0.561	50%	0.5	S	S	*	.	H	α-helix	trans	-63.8	-44.2	173.8	-76.4	176	155.4	0	0	111.4	L152 C153 N159 Q160	L152-E156 HydrophobicContact CD2-CG 4.28Å; L152-E156 WeakPolarHBondContact CD2-OE1 3.32Å; L152-E156 WeakPolarHBondContact O-CG 3.29Å; L152-E156 PolarHBondContact O-N 2.68Å; C153-E156 PolarHBondContact O-N 2.72Å; E156-N159 PolarHBondContact O-N 3.27Å; E156-Q160 PolarHBondContact O-N 3.18Å
157	R	96.8	Very high	95.3	Very high	150 Å²	150	101.1 Å²	101.1	57%	0.566	50%	0.495	S	S	*	.	H	α-helix	trans	-59.9	-49.1	174.1	-69.6	171.6	-170.4	142.1	1.1	111.7	C153 D154 N159 Q160 T161	C153-R157 WeakPolarHBondContact O-CG 3.47Å; C153-R157 PolarHBondContact O-N 3.27Å; C153-R157 VanDerWaalsContact O-N 3.07Å; C153-R157 PolarHBondContact SG-NH2 2.99Å; C153-R157 VanDerWaalsContact SG-NH2 3.44Å; D154-R157 PolarHBondContact O-N 3.25Å; D154-R157 IonicContact OD1-CZ 2.7Å; D154-R157 IonicContact OD1-NH1 3.63Å; D154-R157 PolarHBondContact OD1-NH1 2.81Å; R157-N159 VanDerWaalsContact C-N 3.32Å; R157-N159 PolarHBondContact O-N 3.18Å; R157-Q160 PolarHBondContact O-N 3.2Å; R157-Q160 VanDerWaalsContact O-N 3.08Å; R157-T161 PolarHBondContact O-N 2.91Å; R157-T161 PolarHBondContact O-OG1 3.03Å
158	A	93.8	Very high	95.4	Very high	48 Å²	48	98.8 Å²	98.8	40%	0.397	49%	0.493	S	S	.	.	H	α-helix	trans	-61.1	-40.1	179.1	0	0	0	0	0	112.3	D154 Q160 T161 L162	D154-A158 PolarHBondContact O-N 2.92Å; A158-Q160 VanDerWaalsContact C-N 3.33Å; A158-Q160 PolarHBondContact O-N 3.37Å; A158-T161 PolarHBondContact O-N 3.44Å; A158-L162 WeakPolarHBondContact O-CG 3.48Å; A158-L162 PolarHBondContact O-N 3.16Å
159	N	92	Very high	95.5	Very high	90 Å²	90	99.9 Å²	99.9	48%	0.481	50%	0.499	S	S	.	.	H	α-helix	trans	-65.8	-33.3	173.8	-86.2	-81.6	0	0	0	112.8	L155 E156 R157 K163	L155-N159 WeakPolarHBondContact O-CB 3.45Å; L155-N159 PolarHBondContact O-N 2.92Å; L155-N159 PolarHBondContact O-ND2 3.41Å; E156-N159 PolarHBondContact O-N 3.27Å; R157-N159 VanDerWaalsContact C-N 3.32Å; R157-N159 PolarHBondContact O-N 3.18Å; N159-K163 WeakPolarHBondContact O-CG 3.19Å; N159-K163 PolarHBondContact O-N 2.96Å
160	Q	96.3	Very high	95.5	Very high	93 Å²	93	95 Å²	95	44%	0.435	48%	0.484	S	S	.	.	H	α-helix	trans	-68.2	-46.3	175	-170.7	56.7	46.3	0	0	110.9	E156 R157 A158 L162 K163 D164	E156-Q160 PolarHBondContact O-N 3.18Å; R157-Q160 PolarHBondContact O-N 3.2Å; R157-Q160 VanDerWaalsContact O-N 3.08Å; A158-Q160 VanDerWaalsContact C-N 3.33Å; A158-Q160 PolarHBondContact O-N 3.37Å; Q160-L162 VanDerWaalsContact C-N 3.31Å; Q160-L162 PolarHBondContact O-N 3.03Å; Q160-K163 WeakPolarHBondContact O-CB 3.5Å; Q160-K163 PolarHBondContact O-N 3.17Å; Q160-D164 PolarHBondContact NE2-OD1 2.95Å; Q160-D164 PolarHBondContact O-N 2.88Å
161	T	96.2	Very high	95.5	Very high	73 Å²	73	97.3 Å²	97.3	45%	0.448	49%	0.492	S	S	.	.	H	α-helix	trans	-56.6	-43.7	175.5	-53.8	0	0	0	0	112.2	R157 A158 K163 D164 E165	R157-T161 PolarHBondContact O-N 2.91Å; R157-T161 PolarHBondContact O-OG1 3.03Å; A158-T161 PolarHBondContact O-N 3.44Å; T161-K163 VanDerWaalsContact C-N 3.31Å; T161-K163 PolarHBondContact O-N 3.12Å; T161-D164 PolarHBondContact O-N 3.05Å; T161-E165 WeakPolarHBondContact O-CG 3.35Å; T161-E165 PolarHBondContact O-N 3.02Å
162	L	93.9	Very high	95.5	Very high	105 Å²	105	96.1 Å²	96.1	55%	0.55	49%	0.493	S	S	.	.	H	α-helix	trans	-65.3	-30.2	177.2	-72.7	171	0	0	0	113.6	A158 Q160 Y166	A158-L162 WeakPolarHBondContact O-CG 3.48Å; A158-L162 PolarHBondContact O-N 3.16Å; Q160-L162 VanDerWaalsContact C-N 3.31Å; Q160-L162 PolarHBondContact O-N 3.03Å; L162-Y166 WeakPolarHBondContact O-CB 3.4Å; L162-Y166 PolarHBondContact O-N 3.14Å
163	K	95	Very high	95.7	Very high	118 Å²	118	96.4 Å²	96.4	51%	0.513	49%	0.49	S	S	.	.	H	α-helix	trans	-70.6	-45.1	171.9	-72.5	170.4	-175.6	173.7	0	111.2	N159 Q160 T161 E165 Y166 D167	N159-K163 WeakPolarHBondContact O-CG 3.19Å; N159-K163 PolarHBondContact O-N 2.96Å; Q160-K163 WeakPolarHBondContact O-CB 3.5Å; Q160-K163 PolarHBondContact O-N 3.17Å; T161-K163 VanDerWaalsContact C-N 3.31Å; T161-K163 PolarHBondContact O-N 3.12Å; K163-E165 VanDerWaalsContact C-N 3.27Å; K163-E165 PolarHBondContact O-N 2.92Å; K163-Y166 WeakPolarHBondContact O-CB 3.31Å; K163-Y166 PolarHBondContact O-N 3.35Å; K163-Y166 VanDerWaalsContact O-N 3.12Å; K163-D167 PolarHBondContact O-N 2.81Å
164	D	97.4	Very high	95.7	Very high	87 Å²	87	97.6 Å²	97.6	47%	0.465	50%	0.497	S	S	.	.	H	α-helix	trans	-61.4	-38.8	179.2	-55.8	-22.1	0	0	0	110.7	Q160 T161 A168	Q160-D164 PolarHBondContact NE2-OD1 2.95Å; Q160-D164 PolarHBondContact O-N 2.88Å; T161-D164 PolarHBondContact O-N 3.05Å; D164-A168 WeakPolarHBondContact O-CB 3.49Å; D164-A168 PolarHBondContact O-N 2.84Å
165	E	96.6	Very high	95.8	Very high	116 Å²	116	95.9 Å²	95.9	54%	0.542	49%	0.494	S	S	.	.	H	α-helix	trans	-65	-43.2	171.7	-74.5	178.6	-175.8	0	0	113	T161 K163 A168 L169	T161-E165 WeakPolarHBondContact O-CG 3.35Å; T161-E165 PolarHBondContact O-N 3.02Å; K163-E165 VanDerWaalsContact C-N 3.27Å; K163-E165 PolarHBondContact O-N 2.92Å; E165-A168 PolarHBondContact O-N 3.45Å; E165-L169 WeakPolarHBondContact O-CB 3.39Å; E165-L169 PolarHBondContact O-N 2.85Å
166	Y	96.1	Very high	95.9	Very high	144 Å²	144	95.8 Å²	95.8	57%	0.565	49%	0.493	S	S	*	.	H	α-helix	trans	-62.9	-46.5	176.6	173.6	-90	0	0	0	111.9	L162 K163 A168 L169 Q170	L162-Y166 WeakPolarHBondContact O-CB 3.4Å; L162-Y166 PolarHBondContact O-N 3.14Å; K163-Y166 WeakPolarHBondContact O-CB 3.31Å; K163-Y166 PolarHBondContact O-N 3.35Å; K163-Y166 VanDerWaalsContact O-N 3.12Å; Y166-A168 VanDerWaalsContact C-N 3.35Å; Y166-A168 PolarHBondContact O-N 2.91Å; Y166-L169 PolarHBondContact O-N 2.85Å; Y166-Q170 WeakPolarHBondContact O-CB 3.4Å; Y166-Q170 PolarHBondContact O-N 2.96Å
167	D	96.6	Very high	95.9	Very high	90 Å²	90	94.9 Å²	94.9	48%	0.481	49%	0.489	S	S	.	.	H	α-helix	trans	-64.4	-40.9	179.5	-73.7	-18.1	0	0	0	110.9	K163 Q170 I171	K163-D167 PolarHBondContact O-N 2.81Å; D167-Q170 PolarHBondContact O-N 2.88Å; D167-I171 WeakPolarHBondContact O-CD1 3.36Å; D167-I171 VanDerWaalsContact O-CG1 3.28Å; D167-I171 WeakPolarHBondContact O-CG1 3.2Å; D167-I171 PolarHBondContact O-N 3.44Å
168	A	96.9	Very high	96	Very high	53 Å²	53	93 Å²	93	44%	0.438	49%	0.487	S	S	.	.	H	α-helix	trans	-60.1	-45.4	172.2	0	0	0	0	0	112	D164 E165 Y166 I171 T172	D164-A168 WeakPolarHBondContact O-CB 3.49Å; D164-A168 PolarHBondContact O-N 2.84Å; E165-A168 PolarHBondContact O-N 3.45Å; Y166-A168 VanDerWaalsContact C-N 3.35Å; Y166-A168 PolarHBondContact O-N 2.91Å; A168-I171 PolarHBondContact O-N 3.42Å; A168-T172 WeakPolarHBondContact O-CG2 3.32Å; A168-T172 PolarHBondContact O-N 2.72Å; A168-T172 VanDerWaalsContact O-N 3.09Å
169	L	95.1	Very high	96.1	Very high	117 Å²	117	97.2 Å²	97.2	61%	0.613	50%	0.496	S	S	*	.	H	α-helix	trans	-63.8	-43.4	178	-171.2	65.1	0	0	0	111.4	E165 Y166 I171 T172 F173	E165-L169 WeakPolarHBondContact O-CB 3.39Å; E165-L169 PolarHBondContact O-N 2.85Å; Y166-L169 PolarHBondContact O-N 2.85Å; L169-I171 VanDerWaalsContact C-N 3.33Å; L169-I171 PolarHBondContact O-N 2.9Å; L169-T172 PolarHBondContact O-N 2.85Å; L169-T172 VanDerWaalsContact O-N 3.13Å; L169-T172 PolarHBondContact O-OG1 2.93Å; L169-F173 WeakPolarHBondContact O-CB 3.26Å; L169-F173 PolarHBondContact O-N 2.9Å
170	Q	95.8	Very high	96.3	Very high	82 Å²	82	98.6 Å²	98.6	38%	0.383	50%	0.503	S	S	.	.	H	α-helix	trans	-60.3	-39.9	177.2	-174.4	61.8	39.8	0	0	112.3	Y166 D167 F173 T174	Y166-Q170 WeakPolarHBondContact O-CB 3.4Å; Y166-Q170 PolarHBondContact O-N 2.96Å; D167-Q170 PolarHBondContact O-N 2.88Å; Q170-F173 PolarHBondContact O-N 2.87Å; Q170-T174 WeakPolarHBondContact O-CB 3.28Å; Q170-T174 PolarHBondContact O-N 2.87Å; Q170-T174 PolarHBondContact O-OG1 3.15Å
171	I	97.4	Very high	96.4	Very high	120 Å²	120	100.5 Å²	100.5	62%	0.615	51%	0.506	S	S	*	.	H	α-helix	trans	-62.4	-46.6	173.4	-68.7	163.3	0	0	0	110.4	D167 A168 L169 F173 T174 A175	D167-I171 WeakPolarHBondContact O-CD1 3.36Å; D167-I171 VanDerWaalsContact O-CG1 3.28Å; D167-I171 WeakPolarHBondContact O-CG1 3.2Å; D167-I171 PolarHBondContact O-N 3.44Å; A168-I171 PolarHBondContact O-N 3.42Å; L169-I171 VanDerWaalsContact C-N 3.33Å; L169-I171 PolarHBondContact O-N 2.9Å; I171-F173 PolarHBondContact O-N 3.05Å; I171-T174 PolarHBondContact O-N 2.75Å; I171-A175 WeakPolarHBondContact O-CB 3.31Å; I171-A175 PolarHBondContact O-N 3.4Å; I171-A175 VanDerWaalsContact O-N 3.07Å
172	T	96.5	Very high	96.4	Very high	74 Å²	74	102.6 Å²	102.6	45%	0.454	51%	0.509	S	S	.	.	H	α-helix	trans	-65.9	-36.6	178.9	64	0	0	0	0	113.1	A168 L169 A175 L176	A168-T172 WeakPolarHBondContact O-CG2 3.32Å; A168-T172 PolarHBondContact O-N 2.72Å; A168-T172 VanDerWaalsContact O-N 3.09Å; L169-T172 PolarHBondContact O-N 2.85Å; L169-T172 VanDerWaalsContact O-N 3.13Å; L169-T172 PolarHBondContact O-OG1 2.93Å; T172-A175 PolarHBondContact O-N 2.79Å; T172-L176 WeakPolarHBondContact O-CG 3.32Å; T172-L176 PolarHBondContact O-N 2.85Å
173	F	96.1	Very high	96.5	Very high	103 Å²	103	101 Å²	101	45%	0.452	50%	0.504	S	S	.	.	H	α-helix	trans	-63.1	-50.2	175.6	177.8	-99.5	0	0	0	111	L169 Q170 I171 A175 L176 E177	L169-F173 WeakPolarHBondContact O-CB 3.26Å; L169-F173 PolarHBondContact O-N 2.9Å; Q170-F173 PolarHBondContact O-N 2.87Å; I171-F173 PolarHBondContact O-N 3.05Å; F173-A175 VanDerWaalsContact C-N 3.28Å; F173-A175 PolarHBondContact O-N 2.91Å; F173-L176 WeakPolarHBondContact O-CA 3.23Å; F173-L176 WeakPolarHBondContact O-CB 3.44Å; F173-L176 PolarHBondContact O-N 3.04Å; F173-E177 HydrophobicContact CD1-CG 4.26Å; F173-E177 HydrophobicContact CE1-CG 3.79Å; F173-E177 VanDerWaalsContact CE1-OE1 3.26Å; F173-E177 WeakPolarHBondContact CE1-OE1 3.35Å; F173-E177 VanDerWaalsContact CE1-OE2 3.31Å; F173-E177 WeakPolarHBondContact CE1-OE2 3.36Å; F173-E177 HydrophobicContact CE2-CG 4.35Å; F173-E177 VanDerWaalsContact CZ-CD 3.48Å; F173-E177 HydrophobicContact CZ-CG 3.84Å; F173-E177 VanDerWaalsContact CZ-OE1 3.26Å; F173-E177 WeakPolarHBondContact CZ-OE1 3.36Å; F173-E177 PolarHBondContact O-N 3.47Å
174	T	96.2	Very high	96.5	Very high	70 Å²	70	99 Å²	99	43%	0.429	50%	0.501	S	S	.	.	H	α-helix	trans	-57.7	-41.1	177.6	-49.2	0	0	0	0	111.4	Q170 I171 L176 E177 E178	Q170-T174 WeakPolarHBondContact O-CB 3.28Å; Q170-T174 PolarHBondContact O-N 2.87Å; Q170-T174 PolarHBondContact O-OG1 3.15Å; I171-T174 PolarHBondContact O-N 2.75Å; T174-L176 VanDerWaalsContact C-N 3.31Å; T174-L176 PolarHBondContact O-N 2.93Å; T174-E177 PolarHBondContact O-N 2.85Å; T174-E178 PolarHBondContact O-N 2.89Å
175	A	97.1	Very high	96.5	Very high	48 Å²	48	99.4 Å²	99.4	40%	0.397	50%	0.501	S	S	.	.	H	α-helix	trans	-69.2	-24.4	176.3	0	0	0	0	0	114	I171 T172 F173 K179	I171-A175 WeakPolarHBondContact O-CB 3.31Å; I171-A175 PolarHBondContact O-N 3.4Å; I171-A175 VanDerWaalsContact O-N 3.07Å; T172-A175 PolarHBondContact O-N 2.79Å; F173-A175 VanDerWaalsContact C-N 3.28Å; F173-A175 PolarHBondContact O-N 2.91Å; A175-K179 WeakPolarHBondContact O-CG 3.17Å; A175-K179 PolarHBondContact O-N 2.84Å
176	L	95.9	Very high	96.5	Very high	110 Å²	110	98 Å²	98	58%	0.576	49%	0.494	S	S	*	.	H	α-helix	trans	-80	-40.4	172.5	-74.8	168.1	0	0	0	111.6	T172 F173 T174 E178 K179 L180	T172-L176 WeakPolarHBondContact O-CG 3.32Å; T172-L176 PolarHBondContact O-N 2.85Å; F173-L176 WeakPolarHBondContact O-CA 3.23Å; F173-L176 WeakPolarHBondContact O-CB 3.44Å; F173-L176 PolarHBondContact O-N 3.04Å; T174-L176 VanDerWaalsContact C-N 3.31Å; T174-L176 PolarHBondContact O-N 2.93Å; L176-E178 VanDerWaalsContact C-N 3.35Å; L176-E178 PolarHBondContact O-N 3.23Å; L176-K179 PolarHBondContact O-N 2.97Å; L176-L180 WeakPolarHBondContact O-CB 3.34Å; L176-L180 PolarHBondContact O-N 3.11Å
177	E	97.1	Very high	96.5	Very high	101 Å²	101	95.4 Å²	95.4	47%	0.472	49%	0.49	S	S	.	.	H	α-helix	trans	-60	-43.3	173.7	-71	-169.5	129.2	0	0	111.9	F173 T174 K179 L180 R181	F173-E177 HydrophobicContact CD1-CG 4.26Å; F173-E177 HydrophobicContact CE1-CG 3.79Å; F173-E177 VanDerWaalsContact CE1-OE1 3.26Å; F173-E177 WeakPolarHBondContact CE1-OE1 3.35Å; F173-E177 VanDerWaalsContact CE1-OE2 3.31Å; F173-E177 WeakPolarHBondContact CE1-OE2 3.36Å; F173-E177 HydrophobicContact CE2-CG 4.35Å; F173-E177 VanDerWaalsContact CZ-CD 3.48Å; F173-E177 HydrophobicContact CZ-CG 3.84Å; F173-E177 VanDerWaalsContact CZ-OE1 3.26Å; F173-E177 WeakPolarHBondContact CZ-OE1 3.36Å; F173-E177 PolarHBondContact O-N 3.47Å; T174-E177 PolarHBondContact O-N 2.85Å; E177-K179 PolarHBondContact O-N 2.89Å; E177-L180 WeakPolarHBondContact O-CB 3.24Å; E177-L180 PolarHBondContact O-N 3.48Å; E177-R181 PolarHBondContact O-N 2.88Å
178	E	97.2	Very high	96.5	Very high	111 Å²	111	97.3 Å²	97.3	52%	0.519	50%	0.496	S	S	.	.	H	α-helix	trans	-66.5	-36.6	178	-177.7	152.6	-121.3	0	0	112.7	T174 L176 R181 K182	T174-E178 PolarHBondContact O-N 2.89Å; L176-E178 VanDerWaalsContact C-N 3.35Å; L176-E178 PolarHBondContact O-N 3.23Å; E178-R181 IonicContact OE1-CZ 2.72Å; E178-R181 IonicContact OE1-NH2 2.79Å; E178-R181 PolarHBondContact OE1-NH2 2.78Å; E178-K182 WeakPolarHBondContact O-CB 3.2Å; E178-K182 PolarHBondContact O-N 3.07Å
179	K	97.4	Very high	96.5	Very high	137 Å²	137	100.1 Å²	100.1	60%	0.596	50%	0.5	S	S	*	.	H	α-helix	trans	-63.3	-44.9	170.7	-76.9	174	-178.4	176	0	111.6	A175 L176 E177 K182 T183	A175-K179 WeakPolarHBondContact O-CG 3.17Å; A175-K179 PolarHBondContact O-N 2.84Å; L176-K179 PolarHBondContact O-N 2.97Å; E177-K179 PolarHBondContact O-N 2.89Å; K179-K182 PolarHBondContact O-N 3.04Å; K179-T183 PolarHBondContact O-N 3.26Å; K179-T183 PolarHBondContact O-OG1 3.08Å; K179-T183 VanDerWaalsContact O-OG1 3.06Å
180	L	95.8	Very high	96.5	Very high	118 Å²	118	98.9 Å²	98.9	62%	0.618	49%	0.493	S	S	*	.	H	α-helix	trans	-59.8	-48.8	177.4	-179.9	63.3	0	0	0	110.7	L176 E177 K182 T183 T184	L176-L180 WeakPolarHBondContact O-CB 3.34Å; L176-L180 PolarHBondContact O-N 3.11Å; E177-L180 WeakPolarHBondContact O-CB 3.24Å; E177-L180 PolarHBondContact O-N 3.48Å; L180-K182 PolarHBondContact O-N 2.83Å; L180-T183 PolarHBondContact O-N 3.37Å; L180-T184 PolarHBondContact O-N 2.88Å; L180-T184 PolarHBondContact O-OG1 2.78Å
181	R	97.4	Very high	96.5	Very high	133 Å²	133	99 Å²	99	50%	0.502	50%	0.5	S	S	.	.	H	α-helix	trans	-53.9	-51.5	175.9	-172	-174.4	70.8	-150.3	-10.7	111.3	E177 E178 T183 T184 E185	E177-R181 PolarHBondContact O-N 2.88Å; E178-R181 IonicContact OE1-CZ 2.72Å; E178-R181 IonicContact OE1-NH2 2.79Å; E178-R181 PolarHBondContact OE1-NH2 2.78Å; R181-T183 PolarHBondContact O-N 2.99Å; R181-T184 WeakPolarHBondContact O-CB 3.37Å; R181-T184 PolarHBondContact O-N 2.9Å; R181-T184 VanDerWaalsContact O-N 3.1Å; R181-E185 WeakPolarHBondContact CG-OE1 3.4Å; R181-E185 IonicContact NE-OE1 3.61Å; R181-E185 WeakPolarHBondContact O-CG 3.37Å; R181-E185 PolarHBondContact O-N 2.66Å
182	K	97.5	Very high	96.4	Very high	117 Å²	117	97.3 Å²	97.3	51%	0.509	50%	0.495	S	S	.	.	H	α-helix	trans	-60.4	-42.8	179.7	-171.4	172.5	-170.2	-77.5	0	112.4	E178 K179 L180 T184 E185 E186	E178-K182 WeakPolarHBondContact O-CB 3.2Å; E178-K182 PolarHBondContact O-N 3.07Å; K179-K182 PolarHBondContact O-N 3.04Å; L180-K182 PolarHBondContact O-N 2.83Å; K182-T184 VanDerWaalsContact C-N 3.32Å; K182-T184 PolarHBondContact O-N 3.41Å; K182-E185 PolarHBondContact O-N 2.96Å; K182-E186 IonicContact NZ-OE1 3.49Å; K182-E186 PolarHBondContact NZ-OE1 3.39Å; K182-E186 WeakPolarHBondContact O-CB 3.41Å; K182-E186 WeakPolarHBondContact O-CG 3.01Å; K182-E186 PolarHBondContact O-N 3.02Å
183	T	95.2	Very high	96.4	Very high	71 Å²	71	100.2 Å²	100.2	44%	0.436	50%	0.498	S	S	.	.	H	α-helix	trans	-65.7	-33.9	175.4	-57.8	0	0	0	0	112.2	K179 L180 R181 N187	K179-T183 PolarHBondContact O-N 3.26Å; K179-T183 PolarHBondContact O-OG1 3.08Å; K179-T183 VanDerWaalsContact O-OG1 3.06Å; L180-T183 PolarHBondContact O-N 3.37Å; R181-T183 PolarHBondContact O-N 2.99Å; T183-N187 WeakPolarHBondContact O-CB 3.23Å; T183-N187 PolarHBondContact O-N 2.86Å; T183-N187 VanDerWaalsContact O-N 3.09Å; T183-N187 PolarHBondContact O-ND2 3.26Å
184	T	96.3	Very high	96.3	Very high	76 Å²	76	102.1 Å²	102.1	47%	0.466	50%	0.502	S	S	.	.	H	α-helix	trans	-68.3	-43.6	174.1	-57.8	0	0	0	0	111.8	L180 R181 K182 N187 Q188	L180-T184 PolarHBondContact O-N 2.88Å; L180-T184 PolarHBondContact O-OG1 2.78Å; R181-T184 WeakPolarHBondContact O-CB 3.37Å; R181-T184 PolarHBondContact O-N 2.9Å; R181-T184 VanDerWaalsContact O-N 3.1Å; K182-T184 VanDerWaalsContact C-N 3.32Å; K182-T184 PolarHBondContact O-N 3.41Å; T184-N187 PolarHBondContact O-N 2.85Å; T184-Q188 WeakPolarHBondContact O-CB 3.37Å; T184-Q188 PolarHBondContact O-N 3.37Å
185	E	97.1	Very high	96.2	Very high	97 Å²	97	104.1 Å²	104.1	45%	0.453	51%	0.508	S	S	.	.	H	α-helix	trans	-60.3	-49.7	175	-70.9	164.2	179.3	0	0	111.2	R181 K182 N187 Q188 E189	R181-E185 WeakPolarHBondContact CG-OE1 3.4Å; R181-E185 IonicContact NE-OE1 3.61Å; R181-E185 WeakPolarHBondContact O-CG 3.37Å; R181-E185 PolarHBondContact O-N 2.66Å; K182-E185 PolarHBondContact O-N 2.96Å; E185-N187 VanDerWaalsContact C-N 3.33Å; E185-N187 PolarHBondContact O-N 3.03Å; E185-Q188 PolarHBondContact O-N 2.7Å; E185-Q188 VanDerWaalsContact O-N 3.11Å; E185-E189 PolarHBondContact O-N 2.9Å
186	E	96.7	Very high	96	Very high	85 Å²	85	104.7 Å²	104.7	40%	0.397	51%	0.513	S	S	.	.	H	α-helix	trans	-57.7	-42	176.4	-74.4	171.9	-173.3	0	0	112.4	K182 L190	K182-E186 IonicContact NZ-OE1 3.49Å; K182-E186 PolarHBondContact NZ-OE1 3.39Å; K182-E186 WeakPolarHBondContact O-CB 3.41Å; K182-E186 WeakPolarHBondContact O-CG 3.01Å; K182-E186 PolarHBondContact O-N 3.02Å; E186-L190 VanDerWaalsContact O-CG 3.29Å; E186-L190 WeakPolarHBondContact O-CG 3.29Å; E186-L190 PolarHBondContact O-N 3.24Å
187	N	95.9	Very high	96	Very high	90 Å²	90	105.7 Å²	105.7	48%	0.481	51%	0.514	S	S	.	.	H	α-helix	trans	-65	-41.6	174.6	-80.7	-40.9	0	0	0	112.4	T183 T184 E185 L190 V191	T183-N187 WeakPolarHBondContact O-CB 3.23Å; T183-N187 PolarHBondContact O-N 2.86Å; T183-N187 VanDerWaalsContact O-N 3.09Å; T183-N187 PolarHBondContact O-ND2 3.26Å; T184-N187 PolarHBondContact O-N 2.85Å; E185-N187 VanDerWaalsContact C-N 3.33Å; E185-N187 PolarHBondContact O-N 3.03Å; N187-L190 PolarHBondContact O-N 3.22Å; N187-V191 WeakPolarHBondContact O-CG2 3.34Å; N187-V191 PolarHBondContact O-N 3.29Å
188	Q	95.9	Very high	95.8	Very high	131 Å²	131	106.6 Å²	106.6	61%	0.612	52%	0.517	S	S	*	.	H	α-helix	trans	-66.8	-38.4	179.4	-171.7	171	1.9	0	0	111.8	T184 E185 T192	T184-Q188 WeakPolarHBondContact O-CB 3.37Å; T184-Q188 PolarHBondContact O-N 3.37Å; E185-Q188 PolarHBondContact O-N 2.7Å; E185-Q188 VanDerWaalsContact O-N 3.11Å; Q188-T192 WeakPolarHBondContact O-CB 3.39Å; Q188-T192 PolarHBondContact O-N 3.1Å; Q188-T192 PolarHBondContact O-OG1 2.86Å
189	E	96.2	Very high	95.7	Very high	111 Å²	111	103.8 Å²	103.8	52%	0.519	51%	0.512	S	S	.	.	H	α-helix	trans	-62.4	-43.9	170.8	-73.6	-169.6	-177.3	0	0	112.6	E185 T192 R193	E185-E189 PolarHBondContact O-N 2.9Å; E189-T192 PolarHBondContact O-N 3.25Å; E189-R193 WeakPolarHBondContact O-CB 3.45Å; E189-R193 PolarHBondContact O-N 2.97Å; E189-R193 IonicContact OE2-CZ 3.44Å; E189-R193 IonicContact OE2-NH2 3.95Å; E189-R193 PolarHBondContact OE2-NH2 3.37Å
190	L	96.1	Very high	95.5	Very high	91 Å²	91	104.2 Å²	104.2	48%	0.476	52%	0.516	S	S	.	.	H	α-helix	trans	-61.8	-45.1	179.1	-76.9	166.8	0	0	0	111.3	E186 N187 T192 R193 W194	E186-L190 VanDerWaalsContact O-CG 3.29Å; E186-L190 WeakPolarHBondContact O-CG 3.29Å; E186-L190 PolarHBondContact O-N 3.24Å; N187-L190 PolarHBondContact O-N 3.22Å; L190-T192 VanDerWaalsContact C-N 3.33Å; L190-T192 PolarHBondContact O-N 2.67Å; L190-R193 PolarHBondContact O-N 2.86Å; L190-W194 WeakPolarHBondContact O-CB 3.37Å; L190-W194 PolarHBondContact O-N 2.88Å
191	V	95.6	Very high	95.3	Very high	85 Å²	85	102.4 Å²	102.4	52%	0.515	51%	0.505	S	S	.	.	H	α-helix	trans	-60.8	-43.5	173.9	171.2	0	0	0	0	110.8	N187 W194 M195	N187-V191 WeakPolarHBondContact O-CG2 3.34Å; N187-V191 PolarHBondContact O-N 3.29Å; V191-W194 PolarHBondContact O-N 3.31Å; V191-M195 HydrophobicContact CG1-CG 4.39Å; V191-M195 WeakPolarHBondContact O-CB 3.34Å; V191-M195 VanDerWaalsContact O-CG 3.28Å; V191-M195 WeakPolarHBondContact O-CG 3.37Å; V191-M195 PolarHBondContact O-N 3.11Å
192	T	95.3	Very high	95	Very high	84 Å²	84	98.2 Å²	98.2	52%	0.515	50%	0.499	S	S	.	.	H	α-helix	trans	-63.8	-44.6	179.6	-56.3	0	0	0	0	111.8	Q188 E189 L190 M195 A196	Q188-T192 WeakPolarHBondContact O-CB 3.39Å; Q188-T192 PolarHBondContact O-N 3.1Å; Q188-T192 PolarHBondContact O-OG1 2.86Å; E189-T192 PolarHBondContact O-N 3.25Å; L190-T192 VanDerWaalsContact C-N 3.33Å; L190-T192 PolarHBondContact O-N 2.67Å; T192-M195 PolarHBondContact O-N 2.99Å; T192-A196 PolarHBondContact O-N 2.95Å
193	R	96.1	Very high	94.8	Very high	135 Å²	135	97.9 Å²	97.9	51%	0.509	50%	0.502	S	S	.	.	H	α-helix	trans	-62	-45	175.4	-79	-177.9	-96.1	141.6	-10.9	111.8	E189 L190 M195 A196 E197	E189-R193 WeakPolarHBondContact O-CB 3.45Å; E189-R193 PolarHBondContact O-N 2.97Å; E189-R193 IonicContact OE2-CZ 3.44Å; E189-R193 IonicContact OE2-NH2 3.95Å; E189-R193 PolarHBondContact OE2-NH2 3.37Å; L190-R193 PolarHBondContact O-N 2.86Å; R193-M195 PolarHBondContact O-N 2.82Å; R193-A196 PolarHBondContact O-N 3.37Å; R193-E197 PolarHBondContact O-N 3.26Å
194	W	94.4	Very high	94.7	Very high	144 Å²	144	100.7 Å²	100.7	55%	0.545	51%	0.505	S	S	.	.	H	α-helix	trans	-62.2	-42.1	177	-179.8	74.4	0	0	0	112.5	L190 V191 E197 K198	L190-W194 WeakPolarHBondContact O-CB 3.37Å; L190-W194 PolarHBondContact O-N 2.88Å; V191-W194 PolarHBondContact O-N 3.31Å; W194-E197 PolarHBondContact O-N 3.48Å; W194-K198 HydrophobicContact CD2-CG 4.31Å; W194-K198 HydrophobicContact CZ2-CG 4.32Å; W194-K198 WeakPolarHBondContact O-CB 3.49Å; W194-K198 VanDerWaalsContact O-CG 3.3Å; W194-K198 WeakPolarHBondContact O-CG 3.36Å; W194-K198 PolarHBondContact O-N 3.46Å
195	M	93.8	Very high	94.5	Very high	112 Å²	112	101.2 Å²	101.2	55%	0.552	50%	0.504	S	S	*	.	H	α-helix	trans	-63.4	-39.9	175.2	-73.8	-64.5	-67.2	0	0	112.3	V191 T192 R193 K198 A199	V191-M195 HydrophobicContact CG1-CG 4.39Å; V191-M195 WeakPolarHBondContact O-CB 3.34Å; V191-M195 VanDerWaalsContact O-CG 3.28Å; V191-M195 WeakPolarHBondContact O-CG 3.37Å; V191-M195 PolarHBondContact O-N 3.11Å; T192-M195 PolarHBondContact O-N 2.99Å; R193-M195 PolarHBondContact O-N 2.82Å; M195-K198 PolarHBondContact O-N 2.85Å; M195-A199 WeakPolarHBondContact O-CB 3.33Å; M195-A199 PolarHBondContact O-N 3.15Å
196	A	94	Very high	94.1	Very high	60 Å²	60	101.3 Å²	101.3	50%	0.496	51%	0.508	S	S	.	.	H	α-helix	trans	-64.9	-43.9	176.2	0	0	0	0	0	112.2	T192 R193 A199 Q200	T192-A196 PolarHBondContact O-N 2.95Å; R193-A196 PolarHBondContact O-N 3.37Å; A196-A199 PolarHBondContact O-N 3.17Å; A196-Q200 PolarHBondContact O-N 3.06Å
197	E	94.4	Very high	93.9	Very high	131 Å²	131	100 Å²	100	61%	0.612	51%	0.512	S	S	*	.	H	α-helix	trans	-62.4	-42.6	175.5	-171.7	177.9	-161.2	0	0	111.5	R193 W194 A199 Q200 E201	R193-E197 PolarHBondContact O-N 3.26Å; W194-E197 PolarHBondContact O-N 3.48Å; E197-A199 PolarHBondContact O-N 3.45Å; E197-Q200 PolarHBondContact O-N 3.33Å; E197-E201 PolarHBondContact O-N 2.95Å
198	K	94.1	Very high	93.6	Very high	120 Å²	120	100.3 Å²	100.3	52%	0.522	51%	0.51	S	S	.	.	H	α-helix	trans	-61.6	-40.8	173.5	-73.3	-66.9	-178.7	-172.2	0	113	W194 M195 E201 A202	W194-K198 HydrophobicContact CD2-CG 4.31Å; W194-K198 HydrophobicContact CZ2-CG 4.32Å; W194-K198 WeakPolarHBondContact O-CB 3.49Å; W194-K198 VanDerWaalsContact O-CG 3.3Å; W194-K198 WeakPolarHBondContact O-CG 3.36Å; W194-K198 PolarHBondContact O-N 3.46Å; M195-K198 PolarHBondContact O-N 2.85Å; K198-E201 PolarHBondContact O-N 3.26Å; K198-A202 WeakPolarHBondContact O-CB 3.4Å; K198-A202 PolarHBondContact O-N 3.23Å
199	A	94.1	Very high	93.3	Very high	51 Å²	51	98.7 Å²	98.7	42%	0.421	51%	0.506	S	S	.	.	H	α-helix	trans	-66.6	-39.5	176.1	0	0	0	0	0	112	M195 A196 E197 A202 N203	M195-A199 WeakPolarHBondContact O-CB 3.33Å; M195-A199 PolarHBondContact O-N 3.15Å; A196-A199 PolarHBondContact O-N 3.17Å; E197-A199 PolarHBondContact O-N 3.45Å; A199-A202 PolarHBondContact O-N 2.86Å; A199-N203 WeakPolarHBondContact O-CB 3.5Å; A199-N203 PolarHBondContact O-N 2.99Å; A199-N203 PolarHBondContact O-ND2 3.46Å
200	Q	93.5	Very high	93.1	Very high	146 Å²	146	98.3 Å²	98.3	68%	0.682	50%	0.504	S	S	*	.	H	α-helix	trans	-62.3	-44.3	175.4	-174.4	175.2	2	0	0	111.7	A196 E197 N203 R204	A196-Q200 PolarHBondContact O-N 3.06Å; E197-Q200 PolarHBondContact O-N 3.33Å; Q200-N203 PolarHBondContact O-N 3.36Å; Q200-R204 PolarHBondContact O-N 2.92Å
201	E	91.9	Very high	92.9	Very high	81 Å²	81	99.9 Å²	99.9	38%	0.379	51%	0.507	S	S	.	.	H	α-helix	trans	-68.7	-38	178.8	-170.4	62.4	-174.3	0	0	112.3	E197 K198 R204 L205	E197-E201 PolarHBondContact O-N 2.95Å; K198-E201 PolarHBondContact O-N 3.26Å; E201-R204 WeakPolarHBondContact O-CB 3.44Å; E201-R204 PolarHBondContact O-N 3.47Å; E201-R204 IonicContact OE1-CZ 3.95Å; E201-R204 IonicContact OE1-NE 3.99Å; E201-R204 PolarHBondContact OE1-NE 3.38Å; E201-R204 IonicContact OE1-NH2 2.67Å; E201-R204 PolarHBondContact OE1-NH2 3.32Å; E201-R204 IonicContact OE2-CZ 2.67Å; E201-R204 IonicContact OE2-NE 2.7Å; E201-R204 PolarHBondContact OE2-NE 3.21Å; E201-R204 IonicContact OE2-NH2 3.09Å; E201-R204 PolarHBondContact OE2-NH2 2.93Å; E201-L205 PolarHBondContact O-N 3.2Å
202	A	91.2	Very high	92.5	Very high	45 Å²	45	99.1 Å²	99.1	37%	0.372	50%	0.5	S	S	.	.	H	α-helix	trans	-62.2	-41.9	172.1	0	0	0	0	0	112.1	K198 A199 R204 L205 N206	K198-A202 WeakPolarHBondContact O-CB 3.4Å; K198-A202 PolarHBondContact O-N 3.23Å; A199-A202 PolarHBondContact O-N 2.86Å; A202-R204 VanDerWaalsContact C-N 3.33Å; A202-R204 PolarHBondContact O-N 3.13Å; A202-L205 PolarHBondContact O-N 3.26Å; A202-N206 WeakPolarHBondContact O-CB 3.44Å; A202-N206 VanDerWaalsContact O-CG 3.23Å; A202-N206 PolarHBondContact O-N 2.93Å; A202-N206 PolarHBondContact O-ND2 2.93Å
203	N	92.6	Very high	92.1	Very high	110 Å²	110	98 Å²	98	59%	0.588	50%	0.495	S	S	*	.	H	α-helix	trans	-63.9	-37.1	175.2	-72.9	-24.9	0	0	0	112.3	A199 Q200 N206 A207	A199-N203 WeakPolarHBondContact O-CB 3.5Å; A199-N203 PolarHBondContact O-N 2.99Å; A199-N203 PolarHBondContact O-ND2 3.46Å; Q200-N203 PolarHBondContact O-N 3.36Å; N203-N206 PolarHBondContact O-N 3.36Å; N203-A207 PolarHBondContact O-N 2.99Å
204	R	93.8	Very high	91.8	Very high	130 Å²	130	98.9 Å²	98.9	49%	0.491	50%	0.499	S	S	.	.	H	α-helix	trans	-62.3	-49.3	174.7	-169.4	171.9	78	97	-6.2	111.5	Q200 E201 A202 N206 A207 E208	Q200-R204 PolarHBondContact O-N 2.92Å; E201-R204 WeakPolarHBondContact O-CB 3.44Å; E201-R204 PolarHBondContact O-N 3.47Å; E201-R204 IonicContact OE1-CZ 3.95Å; E201-R204 IonicContact OE1-NE 3.99Å; E201-R204 PolarHBondContact OE1-NE 3.38Å; E201-R204 IonicContact OE1-NH2 2.67Å; E201-R204 PolarHBondContact OE1-NH2 3.32Å; E201-R204 IonicContact OE2-CZ 2.67Å; E201-R204 IonicContact OE2-NE 2.7Å; E201-R204 PolarHBondContact OE2-NE 3.21Å; E201-R204 IonicContact OE2-NH2 3.09Å; E201-R204 PolarHBondContact OE2-NH2 2.93Å; A202-R204 VanDerWaalsContact C-N 3.33Å; A202-R204 PolarHBondContact O-N 3.13Å; R204-N206 VanDerWaalsContact C-N 3.34Å; R204-N206 PolarHBondContact O-N 2.99Å; R204-A207 PolarHBondContact O-N 3.41Å; R204-E208 IonicContact NH1-OE1 3.41Å; R204-E208 PolarHBondContact O-N 3.44Å
205	L	90.9	Very high	91.6	Very high	86 Å²	86	98.5 Å²	98.5	45%	0.45	50%	0.497	S	S	.	.	H	α-helix	trans	-62	-39.2	176.3	-73.3	166.9	0	0	0	112.5	E201 A202 E208 N209	E201-L205 PolarHBondContact O-N 3.2Å; A202-L205 PolarHBondContact O-N 3.26Å; L205-E208 PolarHBondContact O-N 3.17Å; L205-N209 WeakPolarHBondContact O-CB 3.48Å; L205-N209 PolarHBondContact O-N 3.46Å; L205-N209 PolarHBondContact O-ND2 3.46Å
206	N	90.4	Very high	91.3	Very high	99 Å²	99	100.4 Å²	100.4	53%	0.529	50%	0.498	S	S	.	.	H	α-helix	trans	-63.9	-42.3	175.6	-74.3	-21.9	0	0	0	112.1	A202 N203 R204 N209 E210	A202-N206 WeakPolarHBondContact O-CB 3.44Å; A202-N206 VanDerWaalsContact O-CG 3.23Å; A202-N206 PolarHBondContact O-N 2.93Å; A202-N206 PolarHBondContact O-ND2 2.93Å; N203-N206 PolarHBondContact O-N 3.36Å; R204-N206 VanDerWaalsContact C-N 3.34Å; R204-N206 PolarHBondContact O-N 2.99Å; N206-N209 PolarHBondContact O-N 2.88Å; N206-E210 WeakPolarHBondContact O-CB 3.45Å; N206-E210 PolarHBondContact O-N 2.95Å
207	A	91.6	Very high	90.9	Very high	58 Å²	58	103.3 Å²	103.3	48%	0.479	50%	0.502	S	S	.	.	H	α-helix	trans	-66.1	-36.8	177	0	0	0	0	0	112.8	N203 R204 K211	N203-A207 PolarHBondContact O-N 2.99Å; R204-A207 PolarHBondContact O-N 3.41Å; A207-K211 WeakPolarHBondContact O-CB 3.37Å; A207-K211 PolarHBondContact O-N 2.94Å; A207-K211 VanDerWaalsContact O-N 3.08Å
208	E	90.4	Very high	90.5	Very high	96 Å²	96	99.7 Å²	99.7	45%	0.449	49%	0.494	S	S	.	.	H	α-helix	trans	-66.2	-46.5	172.7	-72.4	178.6	-177.8	0	0	111.4	R204 L205 E210 K211 D212	R204-E208 IonicContact NH1-OE1 3.41Å; R204-E208 PolarHBondContact O-N 3.44Å; L205-E208 PolarHBondContact O-N 3.17Å; E208-E210 VanDerWaalsContact C-N 3.34Å; E208-E210 PolarHBondContact O-N 3.48Å; E208-K211 WeakPolarHBondContact O-CB 3.45Å; E208-K211 PolarHBondContact O-N 3.37Å; E208-D212 PolarHBondContact O-N 2.78Å
209	N	89.5	Confident	90.1	Very high	98 Å²	98	102.2 Å²	102.2	52%	0.524	50%	0.501	S	S	.	.	H	α-helix	trans	-59.2	-41.4	174.7	-84.5	-32.4	0	0	0	112.8	L205 N206 D212 S213	L205-N209 WeakPolarHBondContact O-CB 3.48Å; L205-N209 PolarHBondContact O-N 3.46Å; L205-N209 PolarHBondContact O-ND2 3.46Å; N206-N209 PolarHBondContact O-N 2.88Å; N209-D212 PolarHBondContact O-N 3.31Å; N209-S213 WeakPolarHBondContact O-CB 3.14Å; N209-S213 PolarHBondContact O-N 3.36Å
210	E	91.4	Very high	89.6	Confident	103 Å²	103	104.5 Å²	104.5	48%	0.481	51%	0.505	S	S	.	.	H	α-helix	trans	-65.9	-41.9	177.5	-159.4	-163.6	160.5	0	0	111.2	N206 E208 D212 S213 R214	N206-E210 WeakPolarHBondContact O-CB 3.45Å; N206-E210 PolarHBondContact O-N 2.95Å; E208-E210 VanDerWaalsContact C-N 3.34Å; E208-E210 PolarHBondContact O-N 3.48Å; E210-D212 VanDerWaalsContact C-N 3.34Å; E210-D212 PolarHBondContact O-N 3.25Å; E210-S213 WeakPolarHBondContact O-CB 3.36Å; E210-S213 PolarHBondContact O-N 2.89Å; E210-R214 WeakPolarHBondContact O-CG 3.48Å; E210-R214 PolarHBondContact O-N 3.22Å; E210-R214 IonicContact OE1-CZ 3.79Å; E210-R214 VanDerWaalsContact OE1-CZ 3.24Å; E210-R214 IonicContact OE1-NE 3.19Å; E210-R214 PolarHBondContact OE1-NE 2.91Å; E210-R214 IonicContact OE1-NH2 3.59Å; E210-R214 PolarHBondContact OE1-NH2 3.34Å; E210-R214 IonicContact OE2-NH2 2.7Å
211	K	91.4	Very high	89	Confident	124 Å²	124	104 Å²	104	54%	0.539	50%	0.502	S	S	.	.	H	α-helix	trans	-60.6	-41.7	175.1	-174	178.8	-176.9	176.8	0	111.9	A207 E208 R215	A207-K211 WeakPolarHBondContact O-CB 3.37Å; A207-K211 PolarHBondContact O-N 2.94Å; A207-K211 VanDerWaalsContact O-N 3.08Å; E208-K211 WeakPolarHBondContact O-CB 3.45Å; E208-K211 PolarHBondContact O-N 3.37Å; K211-R215 WeakPolarHBondContact O-CB 3.29Å; K211-R215 WeakPolarHBondContact O-CD 3.39Å; K211-R215 VanDerWaalsContact O-CG 3.27Å; K211-R215 WeakPolarHBondContact O-CG 3.41Å; K211-R215 PolarHBondContact O-N 3.04Å
212	D	88.2	Confident	88.6	Confident	69 Å²	69	106.3 Å²	106.3	37%	0.369	51%	0.512	S	S	.	.	H	α-helix	trans	-77.3	-24.2	177.3	-79.2	-9.9	0	0	0	113.5	E208 N209 E210 R215 R216	E208-D212 PolarHBondContact O-N 2.78Å; N209-D212 PolarHBondContact O-N 3.31Å; E210-D212 VanDerWaalsContact C-N 3.34Å; E210-D212 PolarHBondContact O-N 3.25Å; D212-R215 WeakPolarHBondContact OD1-CD 3.33Å; D212-R215 IonicContact OD1-CZ 2.85Å; D212-R215 IonicContact OD1-NE 2.7Å; D212-R215 IonicContact OD1-NH1 2.66Å; D212-R215 PolarHBondContact OD1-NH1 2.98Å; D212-R216 WeakPolarHBondContact O-CG 3.34Å; D212-R216 PolarHBondContact O-N 3.43Å; D212-R216 VanDerWaalsContact O-N 3.13Å; D212-R216 PolarHBondContact O-NE 3.04Å; D212-R216 VanDerWaalsContact O-NE 3.09Å
213	S	87.4	Confident	88.2	Confident	59 Å²	59	109.5 Å²	109.5	41%	0.413	52%	0.519	S	S	.	.	H	α-helix	trans	-66.6	-51.9	166.2	-169.7	0	0	0	0	110.9	N209 E210 R215 R216 Q217	N209-S213 WeakPolarHBondContact O-CB 3.14Å; N209-S213 PolarHBondContact O-N 3.36Å; E210-S213 WeakPolarHBondContact O-CB 3.36Å; E210-S213 PolarHBondContact O-N 2.89Å; S213-R215 VanDerWaalsContact C-N 3.3Å; S213-R215 PolarHBondContact O-N 3.17Å; S213-R216 PolarHBondContact O-N 3.35Å; S213-Q217 PolarHBondContact O-N 3Å
214	R	89.3	Confident	87.3	Confident	154 Å²	154	110.2 Å²	110.2	58%	0.581	52%	0.522	S	S	*	.	H	α-helix	trans	-57	-40.3	175.7	-68.9	176	-172.8	-162.5	6.1	112.1	E210 Q217 A218	E210-R214 WeakPolarHBondContact O-CG 3.48Å; E210-R214 PolarHBondContact O-N 3.22Å; E210-R214 IonicContact OE1-CZ 3.79Å; E210-R214 VanDerWaalsContact OE1-CZ 3.24Å; E210-R214 IonicContact OE1-NE 3.19Å; E210-R214 PolarHBondContact OE1-NE 2.91Å; E210-R214 IonicContact OE1-NH2 3.59Å; E210-R214 PolarHBondContact OE1-NH2 3.34Å; E210-R214 IonicContact OE2-NH2 2.7Å; R214-Q217 PolarHBondContact O-N 2.9Å; R214-A218 WeakPolarHBondContact O-CB 3.34Å; R214-A218 PolarHBondContact O-N 3.12Å
215	R	89.4	Confident	86.5	Confident	137 Å²	137	106.8 Å²	106.8	52%	0.517	52%	0.522	S	S	.	.	H	α-helix	trans	-61.6	-44	173.6	-78.2	162.1	160.4	-177.3	-7.5	112.8	K211 D212 S213 R219	K211-R215 WeakPolarHBondContact O-CB 3.29Å; K211-R215 WeakPolarHBondContact O-CD 3.39Å; K211-R215 VanDerWaalsContact O-CG 3.27Å; K211-R215 WeakPolarHBondContact O-CG 3.41Å; K211-R215 PolarHBondContact O-N 3.04Å; D212-R215 WeakPolarHBondContact OD1-CD 3.33Å; D212-R215 IonicContact OD1-CZ 2.85Å; D212-R215 IonicContact OD1-NE 2.7Å; D212-R215 IonicContact OD1-NH1 2.66Å; D212-R215 PolarHBondContact OD1-NH1 2.98Å; S213-R215 VanDerWaalsContact C-N 3.3Å; S213-R215 PolarHBondContact O-N 3.17Å; R215-R219 WeakPolarHBondContact O-CG 3.26Å; R215-R219 PolarHBondContact O-N 2.91Å; R215-R219 VanDerWaalsContact O-N 3.09Å
216	R	88	Confident	85.7	Confident	151 Å²	151	108 Å²	108	57%	0.57	53%	0.525	S	S	*	.	H	α-helix	trans	-65.1	-44.5	176.1	-78.9	178.1	-78.8	-179.9	-5.1	111.5	D212 S213 A218 R219 L220	D212-R216 WeakPolarHBondContact O-CG 3.34Å; D212-R216 PolarHBondContact O-N 3.43Å; D212-R216 VanDerWaalsContact O-N 3.13Å; D212-R216 PolarHBondContact O-NE 3.04Å; D212-R216 VanDerWaalsContact O-NE 3.09Å; S213-R216 PolarHBondContact O-N 3.35Å; R216-A218 VanDerWaalsContact C-N 3.35Å; R216-A218 PolarHBondContact O-N 2.98Å; R216-R219 PolarHBondContact O-N 3.31Å; R216-L220 PolarHBondContact O-N 2.7Å
217	Q	85.8	Confident	84.7	Confident	121 Å²	121	106.2 Å²	106.2	57%	0.565	52%	0.523	S	S	*	.	H	α-helix	trans	-62.9	-39.5	177.7	-164.1	175	21.8	0	0	112.3	S213 R214 L220 Q221	S213-Q217 PolarHBondContact O-N 3Å; R214-Q217 PolarHBondContact O-N 2.9Å; Q217-L220 PolarHBondContact O-N 2.96Å; Q217-Q221 WeakPolarHBondContact O-CB 3.29Å; Q217-Q221 WeakPolarHBondContact O-CG 3.34Å; Q217-Q221 PolarHBondContact O-N 2.94Å
218	A	86.3	Confident	83.2	Confident	55 Å²	55	107.4 Å²	107.4	46%	0.455	53%	0.534	S	S	.	.	H	α-helix	trans	-67.9	-34	174.8	0	0	0	0	0	113.2	R214 R216 K222	R214-A218 WeakPolarHBondContact O-CB 3.34Å; R214-A218 PolarHBondContact O-N 3.12Å; R216-A218 VanDerWaalsContact C-N 3.35Å; R216-A218 PolarHBondContact O-N 2.98Å; A218-K222 PolarHBondContact O-N 3.26Å
219	R	85.5	Confident	81.9	Confident	174 Å²	174	111.4 Å²	111.4	66%	0.657	55%	0.549	S	S	*	.	H	α-helix	trans	-65.1	-49.9	171.6	-74.5	178.9	-177.7	-177.3	0	111.3	R215 R216 Q221 K222 E223	R215-R219 WeakPolarHBondContact O-CG 3.26Å; R215-R219 PolarHBondContact O-N 2.91Å; R215-R219 VanDerWaalsContact O-N 3.09Å; R216-R219 PolarHBondContact O-N 3.31Å; R219-Q221 VanDerWaalsContact C-N 3.33Å; R219-Q221 PolarHBondContact O-N 3.18Å; R219-K222 WeakPolarHBondContact O-CA 3.31Å; R219-K222 WeakPolarHBondContact O-CB 3.37Å; R219-K222 PolarHBondContact O-N 2.67Å; R219-E223 WeakPolarHBondContact O-CG 3.42Å; R219-E223 PolarHBondContact O-N 2.79Å
220	L	82.6	Confident	80.1	Confident	99 Å²	99	113.6 Å²	113.6	52%	0.518	56%	0.557	S	S	.	*	H	α-helix	trans	-57.9	-42.6	175.9	-74.2	164.6	0	0	0	112.1	R216 Q217 K222 E223 L224	R216-L220 PolarHBondContact O-N 2.7Å; Q217-L220 PolarHBondContact O-N 2.96Å; L220-K222 VanDerWaalsContact C-N 3.34Å; L220-K222 PolarHBondContact O-N 2.85Å; L220-E223 PolarHBondContact O-N 2.82Å; L220-L224 WeakPolarHBondContact O-CB 3.33Å; L220-L224 VanDerWaalsContact O-CG 3.27Å; L220-L224 WeakPolarHBondContact O-CG 3.2Å; L220-L224 PolarHBondContact O-N 2.89Å
221	Q	81.6	Confident	78	Confident	134 Å²	134	114.7 Å²	114.7	63%	0.626	57%	0.573	S	S	*	*	H	α-helix	trans	-62.8	-38	173.5	-81.3	-173.4	-26.7	0	0	112.9	Q217 R219 A225	Q217-Q221 WeakPolarHBondContact O-CB 3.29Å; Q217-Q221 WeakPolarHBondContact O-CG 3.34Å; Q217-Q221 PolarHBondContact O-N 2.94Å; R219-Q221 VanDerWaalsContact C-N 3.33Å; R219-Q221 PolarHBondContact O-N 3.18Å; Q221-A225 VanDerWaalsContact O-CB 3.29Å; Q221-A225 WeakPolarHBondContact O-CB 3.47Å; Q221-A225 PolarHBondContact O-N 3.05Å
222	K	84.1	Confident	76	Confident	131 Å²	131	116 Å²	116	57%	0.57	59%	0.585	S	S	*	*	H	α-helix	trans	-66.5	-47	175.2	-168.1	-169.6	175.2	-92.8	0	111	A218 R219 L220 L224 A225 E226	A218-K222 PolarHBondContact O-N 3.26Å; R219-K222 WeakPolarHBondContact O-CA 3.31Å; R219-K222 WeakPolarHBondContact O-CB 3.37Å; R219-K222 PolarHBondContact O-N 2.67Å; L220-K222 VanDerWaalsContact C-N 3.34Å; L220-K222 PolarHBondContact O-N 2.85Å; K222-L224 PolarHBondContact O-N 2.85Å; K222-A225 CarbonylContact O-C 3.56Å; K222-A225 PolarHBondContact O-N 2.77Å; K222-A225 VanDerWaalsContact O-N 3.17Å; K222-E226 IonicContact NZ-OE1 2.68Å; K222-E226 IonicContact NZ-OE2 2.87Å; K222-E226 PolarHBondContact NZ-OE2 2.92Å; K222-E226 VanDerWaalsContact O-CB 3.31Å; K222-E226 WeakPolarHBondContact O-CB 3.38Å; K222-E226 PolarHBondContact O-N 2.99Å
223	E	81.2	Confident	74	Confident	112 Å²	112	118.6 Å²	118.6	52%	0.523	61%	0.605	S	S	.	*	H	α-helix	trans	-59.4	-44.4	178	-72.7	159.6	-163	0	0	111.2	R219 L220 A225 E226 A227	R219-E223 WeakPolarHBondContact O-CG 3.42Å; R219-E223 PolarHBondContact O-N 2.79Å; L220-E223 PolarHBondContact O-N 2.82Å; E223-A225 PolarHBondContact O-N 2.9Å; E223-E226 PolarHBondContact O-N 3.11Å; E223-A227 WeakPolarHBondContact O-CB 3.43Å; E223-A227 PolarHBondContact O-N 2.85Å
224	L	75.1	Confident	71.9	Confident	124 Å²	124	121.9 Å²	121.9	65%	0.649	62%	0.622	S	S	*	*	H	α-helix	trans	-63	-39.9	173.6	-72.8	167.3	0	0	0	112.8	L220 K222 E226 A228	L220-L224 WeakPolarHBondContact O-CB 3.33Å; L220-L224 VanDerWaalsContact O-CG 3.27Å; L220-L224 WeakPolarHBondContact O-CG 3.2Å; L220-L224 PolarHBondContact O-N 2.89Å; K222-L224 PolarHBondContact O-N 2.85Å; L224-E226 VanDerWaalsContact C-N 3.3Å; L224-A228 VanDerWaalsContact O-CB 3.29Å; L224-A228 WeakPolarHBondContact O-CB 3.26Å; L224-A228 PolarHBondContact O-N 2.76Å
225	A	75.9	Confident	69.4	Low	59 Å²	59	123.8 Å²	123.8	49%	0.488	64%	0.638	S	S	.	*	H	α-helix	trans	-74.6	-18.8	177.1	0	0	0	0	0	113.7	Q221 K222 E223	Q221-A225 VanDerWaalsContact O-CB 3.29Å; Q221-A225 WeakPolarHBondContact O-CB 3.47Å; Q221-A225 PolarHBondContact O-N 3.05Å; K222-A225 CarbonylContact O-C 3.56Å; K222-A225 PolarHBondContact O-N 2.77Å; K222-A225 VanDerWaalsContact O-N 3.17Å; E223-A225 PolarHBondContact O-N 2.9Å
226	E	74.3	Confident	67.1	Low	112 Å²	112	124.8 Å²	124.8	52%	0.523	65%	0.649	S	S	.	*	H	α-helix	trans	-83.9	-44.9	174.2	-161.1	155.2	-175	0	0	109.9	K222 E223 L224 A228 K229	K222-E226 IonicContact NZ-OE1 2.68Å; K222-E226 IonicContact NZ-OE2 2.87Å; K222-E226 PolarHBondContact NZ-OE2 2.92Å; K222-E226 VanDerWaalsContact O-CB 3.31Å; K222-E226 WeakPolarHBondContact O-CB 3.38Å; K222-E226 PolarHBondContact O-N 2.99Å; E223-E226 PolarHBondContact O-N 3.11Å; L224-E226 VanDerWaalsContact C-N 3.3Å; E226-A228 VanDerWaalsContact C-N 3.31Å; E226-A228 PolarHBondContact O-N 3.24Å; E226-K229 WeakPolarHBondContact O-CB 3.32Å; E226-K229 PolarHBondContact O-N 2.85Å
227	A	69.7	Low	64.6	Low	60 Å²	60	124 Å²	124	50%	0.496	66%	0.656	S	S	.	*	H	α-helix	trans	-59.7	-37.8	170.5	0	0	0	0	0	112.7	E223 K229 E230	E223-A227 WeakPolarHBondContact O-CB 3.43Å; E223-A227 PolarHBondContact O-N 2.85Å; A227-K229 PolarHBondContact O-N 2.91Å; A227-K229 VanDerWaalsContact O-N 3.07Å; A227-E230 PolarHBondContact O-N 3.4Å
228	A	60.8	Low	62.2	Low	84 Å²	84	124.7 Å²	124.7	69%	0.694	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-0.7	175.4	0	0	0	0	0	114.8	L224 E226	L224-A228 VanDerWaalsContact O-CB 3.29Å; L224-A228 WeakPolarHBondContact O-CB 3.26Å; L224-A228 PolarHBondContact O-N 2.76Å; E226-A228 VanDerWaalsContact C-N 3.31Å; E226-A228 PolarHBondContact O-N 3.24Å
229	K	62.4	Low	59.9	Low	179 Å²	179	129.3 Å²	129.3	78%	0.778	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-8.8	173.7	-74.3	179.1	177.3	178.6	0	114.1	E226 A227 P231	E226-K229 WeakPolarHBondContact O-CB 3.32Å; E226-K229 PolarHBondContact O-N 2.85Å; A227-K229 PolarHBondContact O-N 2.91Å; A227-K229 VanDerWaalsContact O-N 3.07Å; K229-P231 WeakPolarHBondContact O-CD 3.42Å
230	E	52	Low	58.2	Low	145 Å²	145	128.2 Å²	128.2	68%	0.678	69%	0.686	S	S	*	*	S	Bend	trans	-79.8	120.5	171.3	-72.8	-170.3	130.2	0	0	109.8	A227 L232	A227-E230 PolarHBondContact O-N 3.4Å; E230-L232 PolarHBondContact O-N 2.87Å
231	P	48.2	Very low	55.9	Low	126 Å²	126	133.1 Å²	133.1	82%	0.818	71%	0.706	S	S	*	*			trans	-77.2	102.9	174.2	30.7	-31.6	0	0	0	109.5	K229	K229-P231 WeakPolarHBondContact O-CD 3.42Å
232	L	49	Very low	54	Low	152 Å²	152	132.4 Å²	132.4	80%	0.796	71%	0.711	S	S	*	*			trans	-76.9	132.1	168.9	-72.7	168.5	0	0	0	110.1	E230	E230-L232 PolarHBondContact O-N 2.87Å
233	P	45.9	Very low	51.6	Low	122 Å²	122	133.7 Å²	133.7	79%	0.792	72%	0.722	S	S	*	*			trans	-73	139.6	172	29.7	-30.7	0	0	0	110.1
234	V	42.5	Very low	49.4	Very low	128 Å²	128	133.7 Å²	133.7	78%	0.776	73%	0.73	S	S	*	*			trans	-108.9	112.1	173.6	-180	0	0	0	0	107.8
235	E	37.7	Very low	47.6	Very low	194 Å²	194	134.3 Å²	134.3	91%	0.907	73%	0.733	S	S	*	*			trans	-93.9	147.5	155.5	-67.3	-164.5	152.5	0	0	108.5
236	Q	40.1	Very low	45.6	Very low	159 Å²	159	139 Å²	139	74%	0.743	75%	0.745	S	S	*	*			trans	-98.4	154.2	-177.6	-70.2	-176.2	-95.2	0	0	110.7
237	D	35.4	Very low	43.7	Very low	134 Å²	134	139.5 Å²	139.5	72%	0.717	76%	0.756	S	S	*	*			trans	68.3	147.2	161.1	-46.9	-21.9	0	0	0	114.5
238	D	36.7	Very low	42	Very low	136 Å²	136	142.6 Å²	142.6	73%	0.727	77%	0.774	S	S	*	*			cis	-156.9	-178.5	-4.8	-129.7	-27.5	0	0	0	110.9
239	D	37.5	Very low	40.6	Very low	152 Å²	152	145 Å²	145	81%	0.813	78%	0.776	S	S	*	*			trans	80.4	131.8	155.9	-69.6	-34.5	0	0	0	121.9
240	I	49	Very low	39.1	Very low	151 Å²	151	144.5 Å²	144.5	77%	0.774	78%	0.775	S	S	*	*			trans	-101.2	133.7	178	-64.9	159.1	0	0	0	108.2	V242	I240-V242 HydrophobicContact CG2-CG2 4.17Å
241	E	35.3	Very low	38.1	Very low	201 Å²	201	142.5 Å²	142.5	94%	0.939	77%	0.774	S	S	*	*			trans	-126.2	133.9	149.1	-77.5	-158	149.9	0	0	111.9
242	V	40.8	Very low	37.3	Very low	119 Å²	119	145.6 Å²	145.6	72%	0.721	78%	0.777	S	S	*	*			trans	-99.5	135.4	173.3	170.3	0	0	0	0	107.2	I240	I240-V242 HydrophobicContact CG2-CG2 4.17Å
243	I	34.5	Very low	36.4	Very low	158 Å²	158	146.3 Å²	146.3	81%	0.81	78%	0.776	S	S	*	*			trans	-166.4	126.5	143.7	-100.6	146.7	0	0	0	112.1
244	V	35.8	Very low	35.6	Very low	113 Å²	113	145.6 Å²	145.6	69%	0.685	77%	0.77	S	S	*	*			trans	-23.8	160.5	149.4	-104.7	0	0	0	0	116.9
245	D	36.1	Very low	35.3	Very low	136 Å²	136	144.2 Å²	144.2	73%	0.727	77%	0.766	S	S	*	*			cis	-162.2	-174	6.4	-145.9	-27.3	0	0	0	111.2
246	E	34.5	Very low	35.5	Very low	157 Å²	157	141.2 Å²	141.2	73%	0.734	76%	0.763	S	S	*	*			trans	75.8	105.7	148.2	-77.7	-174.3	173	0	0	122.4
247	T	34.8	Very low	35.1	Very low	124 Å²	124	139.7 Å²	139.7	76%	0.761	77%	0.765	S	S	*	*				37.8	133.4	126.8	63.8	0	0	0	0	122.8
248	S	32.5	Very low	34.9	Very low	124 Å²	124	144.9 Å²	144.9	87%	0.867	77%	0.774	S	S	*	*				-175.9	160.2	112.1	43	0	0	0	0	114
249	D	32.2	Very low	34.5	Very low	136 Å²	136	142.4 Å²	142.4	73%	0.727	77%	0.773	S	S	*	*			trans	-72.9	172	-175.8	-89.1	-53.2	0	0	0	116.6
250	H	30.2	Very low	34.2	Very low	167 Å²	167	142.7 Å²	142.7	77%	0.773	77%	0.772	S	S	*	*			trans	132	107.1	140.4	-67.7	-56.9	0	0	0	113.3
251	T	31.1	Very low	33.2	Very low	104 Å²	104	140.2 Å²	140.2	64%	0.638	77%	0.769	S	S	*	*				73.4	115.3	64.8	62.9	0	0	0	0	116.1
252	E	31.3	Very low	33	Very low	190 Å²	190	141.8 Å²	141.8	89%	0.888	77%	0.766	S	S	*	*			trans	61.6	158.1	158.5	-54.3	-179.4	154.4	0	0	116.3
253	E	29.7	Very low	32.4	Very low	167 Å²	167	140.8 Å²	140.8	78%	0.78	77%	0.77	S	S	*	*			cis	-123.9	-156.9	-3.7	-65	-165.3	136.1	0	0	109.2
254	T	29.8	Very low	32.2	Very low	108 Å²	108	137.3 Å²	137.3	66%	0.663	77%	0.765	S	S	*	*			cis	-146.3	166.5	-10	-22.3	0	0	0	0	109.7
255	S	35.6	Very low	32	Very low	99 Å²	99	137.7 Å²	137.7	69%	0.692	77%	0.768	S	S	*	*			trans	-106.4	143.1	157.7	-65.2	0	0	0	0	111.1
256	P	41.7	Very low	31.8	Very low	131 Å²	131	140.2 Å²	140.2	85%	0.851	77%	0.772	S	S	*	*			trans	-93.1	130.3	165.4	32.7	-27.9	0	0	0	111.8
257	V	32.2	Very low	31.4	Very low	127 Å²	127	144.6 Å²	144.6	77%	0.77	78%	0.782	S	S	*	*			trans	-118.1	126.6	175.4	174.3	0	0	0	0	110.4
258	R	31.6	Very low	31.2	Very low	243 Å²	243	146.5 Å²	146.5	92%	0.917	79%	0.787	S	S	*	*			trans	179.6	118.4	144.3	-102.9	168.2	171.6	174.2	-1.1	108.4
259	A	28.2	Very low	31.1	Very low	84 Å²	84	145.9 Å²	145.9	69%	0.694	78%	0.782	S	S	*	*				86.8	120.1	50.2	0	0	0	0	0	114.3
260	I	31.1	Very low	31.3	Very low	158 Å²	158	148 Å²	148	81%	0.81	79%	0.788	S	S	*	*			trans	172.4	101.6	153.9	-90.2	152.5	0	0	0	104.1
261	S	29.5	Very low	31.6	Very low	99 Å²	99	145.9 Å²	145.9	69%	0.692	79%	0.789	S	S	*	*				58.2	137.6	100.8	103.1	0	0	0	0	114.3
262	R	30.4	Very low	31.6	Very low	233 Å²	233	145 Å²	145	88%	0.879	79%	0.793	S	S	*	*			cis	-172.2	143.9	25.6	-152.6	174	-178.8	176.5	-0.3	110.6
263	A	28.1	Very low	31.7	Very low	99 Å²	99	140.4 Å²	140.4	82%	0.818	80%	0.796	S	S	*	*			trans	51.8	148	148.5	0	0	0	0	0	120.5
264	A	29.4	Very low	31.8	Very low	85 Å²	85	135.5 Å²	135.5	70%	0.702	79%	0.79	S	S	*	*			cis	-152.8	178.9	-3.8	0	0	0	0	0	107.7
265	T	31.5	Very low	32	Very low	120 Å²	120	138.7 Å²	138.7	74%	0.736	80%	0.802	S	S	*	*			cis	-165.1	151.6	23.6	-13.3	0	0	0	0	111.4
266	K	31.9	Very low	31.9	Very low	189 Å²	189	142.1 Å²	142.1	82%	0.822	81%	0.812	S	S	*	*			trans	56	106.3	150.4	-70.7	174	178.9	-179.9	0	120.6
267	R	27.3	Very low	31.6	Very low	249 Å²	249	143.6 Å²	143.6	94%	0.94	81%	0.812	S	S	*	*				-156.5	128.4	100.4	-105	-177.8	-170.8	-166.4	2.7	111.7
268	L	29.8	Very low	31.6	Very low	164 Å²	164	143 Å²	143	86%	0.859	81%	0.814	S	S	*	*			trans	-78.4	164.5	150.6	-58.7	98.4	0	0	0	107.3
269	S	31.1	Very low	31.5	Very low	111 Å²	111	139.5 Å²	139.5	78%	0.776	81%	0.812	S	S	*	*			cis	-151.1	148.1	15.3	46.1	0	0	0	0	111.2
270	Q	35.5	Very low	31.5	Very low	182 Å²	182	141.7 Å²	141.7	85%	0.85	82%	0.816	S	S	*	*			trans	-75.9	162.5	163.3	-120	176.8	20	0	0	109.9
271	P	37.1	Very low	31.5	Very low	122 Å²	122	141.8 Å²	141.8	79%	0.792	82%	0.819	S	S	*	*				-140	159.3	73.1	36.5	-19.2	0	0	0	117.3
272	A	31.9	Very low	31.7	Very low	86 Å²	86	144 Å²	144	71%	0.711	82%	0.821	S	S	*	*			trans	8.8	117.7	153.8	0	0	0	0	0	119.2	G274	A272-G274 PolarHBondContact O-N 2.82Å
273	G	32.9	Very low	31.8	Very low	93 Å²	93	142.2 Å²	142.2	96%	0.959	82%	0.82	S	S	*	*			trans	-71	108.3	150.3	0	0	0	0	0	109.5
274	G	31.8	Very low	31.7	Very low	64 Å²	64	141.4 Å²	141.4	66%	0.66	82%	0.821	S	S	*	*			trans	-142.2	97.7	170.8	0	0	0	0	0	109.2	A272	A272-G274 PolarHBondContact O-N 2.82Å
275	L	34.1	Very low	31.7	Very low	174 Å²	174	144.2 Å²	144.2	91%	0.911	82%	0.824	S	S	*	*			trans	-175.6	90.6	170.5	-110.3	159.4	0	0	0	109.1
276	L	33.9	Very low	31.6	Very low	172 Å²	172	143.9 Å²	143.9	90%	0.901	83%	0.827	S	S	*	*	S	Bend	trans	-175.5	50.7	149.8	-103.5	173.6	0	0	0	110.6
277	D	34.1	Very low	31.4	Very low	161 Å²	161	144 Å²	144	86%	0.861	83%	0.83	S	S	*	*	S	Bend	trans	-157.4	72	163.2	-113.5	-18.3	0	0	0	110.6
278	S	31.5	Very low	31.5	Very low	114 Å²	114	137.5 Å²	137.5	80%	0.797	82%	0.823	S	S	*	*			trans	-172.3	95.2	164.4	-84.8	0	0	0	0	109.8
279	I	29.9	Very low	32.1	Very low	170 Å²	170	135 Å²	135	87%	0.872	82%	0.817	S	S	*	*			trans	-170.6	88.1	136.2	-86.4	143.8	0	0	0	105.6
280	T	29.3	Very low	31.9	Very low	130 Å²	130	137 Å²	137	80%	0.798	82%	0.818	S	S	*	*			trans	-147.6	80.8	166.1	-20.8	0	0	0	0	108.2
281	N	30.4	Very low	31.6	Very low	161 Å²	161	136.6 Å²	136.6	86%	0.861	82%	0.821	S	S	*	*			trans	176.5	96.3	153.5	-93.8	-25.1	0	0	0	110.3
282	I	34.8	Very low	31.1	Very low	145 Å²	145	134.5 Å²	134.5	74%	0.744	82%	0.821	S	S	*	*	S	Bend	trans	-169.6	141.4	144.9	-95.3	148.7	0	0	0	104.7
283	F	30.7	Very low	30.8	Very low	195 Å²	195	138.6 Å²	138.6	86%	0.855	83%	0.825	S	S	*	*			trans	72.8	71.1	-166.5	-44.9	-58.7	0	0	0	115	L285	F283-L285 PolarHBondContact O-N 2.87Å
284	G	26.3	Very low	30.5	Very low	82 Å²	82	141.9 Å²	141.9	85%	0.845	82%	0.815	S	S	*	*			trans	-68.6	115	154	0	0	0	0	0	109.8
285	L	29.4	Very low	30.2	Very low	144 Å²	144	143.6 Å²	143.6	75%	0.754	82%	0.817	S	S	*	*			trans	-105.6	117.5	153.2	-80.7	173.8	0	0	0	107.3	F283	F283-L285 PolarHBondContact O-N 2.87Å
286	S	29.5	Very low	29.9	Very low	113 Å²	113	140.7 Å²	140.7	79%	0.79	81%	0.811	S	S	*	*			trans	-71	123.7	171	51.1	0	0	0	0	109.9
287	E	27.6	Very low	29.6	Very low	191 Å²	191	137.7 Å²	137.7	89%	0.893	81%	0.805	S	S	*	*			trans	-147.7	130.2	148.5	-120	167.9	-146.7	0	0	110.3
288	S	29.4	Very low	29.2	Very low	114 Å²	114	138 Å²	138	80%	0.797	81%	0.806	S	S	*	*			trans	-134.1	144.8	165.5	-55.7	0	0	0	0	103.9
289	P	43.3	Very low	29.1	Very low	112 Å²	112	136.5 Å²	136.5	73%	0.727	80%	0.801	S	S	*	*				-153.7	155.5	78.4	35.8	-15.5	0	0	0	116.4
290	L	26.6	Very low	29	Very low	152 Å²	152	132.6 Å²	132.6	80%	0.796	79%	0.794	S	S	*	*				160.2	142.8	110.1	-85.6	176.9	0	0	0	114.3
291	L	28.4	Very low	28.9	Very low	174 Å²	174	137.5 Å²	137.5	91%	0.911	80%	0.798	S	S	*	*			trans	69.2	127.5	157	-66.1	162.5	0	0	0	120.2
292	G	26.4	Very low	28.8	Very low	78 Å²	78	141.5 Å²	141.5	80%	0.804	80%	0.801	S	S	*	*			trans	150.4	87.6	160.2	0	0	0	0	0	116.4
293	H	26.5	Very low	28.4	Very low	172 Å²	172	146 Å²	146	80%	0.796	81%	0.809	S	S	*	*			trans	-48.5	139	170.2	-80.6	-113.2	0	0	0	115.5
294	H	26.7	Very low	28.2	Very low	162 Å²	162	142 Å²	142	75%	0.75	81%	0.805	S	S	*	*				163.1	125.3	107.3	-93	-69.8	0	0	0	116.1
295	S	25.9	Very low	28.2	Very low	100 Å²	100	144.3 Å²	144.3	70%	0.699	80%	0.802	S	S	*	*			trans	22.7	140.5	143.2	54.9	0	0	0	0	125.2
296	S	26.2	Very low	28.1	Very low	113 Å²	113	142.3 Å²	142.3	79%	0.79	80%	0.8	S	S	*	*			trans	121.1	106.1	150.7	69	0	0	0	0	112.2
297	S	28.1	Very low	27.9	Very low	109 Å²	109	141.3 Å²	141.3	76%	0.762	79%	0.793	S	S	*	*				93.7	106.1	62.5	72.9	0	0	0	0	114.5
298	D	27	Very low	27.8	Very low	166 Å²	166	141.1 Å²	141.1	89%	0.888	79%	0.79	S	S	*	*			trans	91.5	159	138.3	-118.3	-33.3	0	0	0	123.4
299	A	27.7	Very low	28.1	Very low	83 Å²	83	141.6 Å²	141.6	69%	0.686	79%	0.79	S	S	*	*			trans	83	70.3	160.8	0	0	0	0	0	122.2
300	A	28.2	Very low	27.5	Very low	88 Å²	88	142 Å²	142	73%	0.727	79%	0.79	S	S	*	*				53	122.9	111.1	0	0	0	0	0	124.7
301	R	27.7	Very low	28	Very low	233 Å²	233	140 Å²	140	88%	0.879	79%	0.786	S	S	*	*			trans	72.2	119.6	130.1	-67.7	176	174.6	-174.4	0.1	122.6
302	R	28.2	Very low	28.1	Very low	246 Å²	246	140 Å²	140	93%	0.928	78%	0.782	S	S	*	*				179	120.2	117.8	-90.6	155.5	-162.5	-98.5	6.3	107.3
303	R	26.8	Very low	28.3	Very low	240 Å²	240	144.2 Å²	144.2	91%	0.906	79%	0.786	S	S	*	*			cis	79.8	102.6	47	-89.7	-162.6	178.5	-178.5	0.6	117.3
304	S	25.7	Very low	28.4	Very low	111 Å²	111	143 Å²	143	78%	0.776	79%	0.785	S	S	*	*			trans	-160.5	110.9	145.9	49.8	0	0	0	0	106.4
305	V	27.9	Very low	29.1	Very low	130 Å²	130	142.1 Å²	142.1	79%	0.788	79%	0.791	S	S	*	*				61.8	118.7	54.5	-170.3	0	0	0	0	110.7
306	S	26.3	Very low	29.2	Very low	102 Å²	102	144.2 Å²	144.2	71%	0.713	79%	0.794	S	S	*	*			cis	-141.8	-168.2	4.8	69.2	0	0	0	0	110.8
307	S	25.8	Very low	29.3	Very low	92 Å²	92	144.6 Å²	144.6	64%	0.643	79%	0.792	S	S	*	*			cis	-164.4	141	0.4	19.4	0	0	0	0	111.8
308	F	24.6	Very low	29.4	Very low	187 Å²	187	148.5 Å²	148.5	82%	0.82	80%	0.798	S	S	*	*			trans	22.8	153.5	135.4	-63.6	-65	0	0	0	123.9
309	P	35.4	Very low	29.8	Very low	123 Å²	123	146.2 Å²	146.2	80%	0.799	79%	0.792	S	S	*	*			cis	-130.1	172.1	24.7	39.8	-22.9	0	0	0	118.5
310	V	31.3	Very low	30.3	Very low	121 Å²	121	145.9 Å²	145.9	73%	0.733	80%	0.796	S	S	*	*			trans	-112.2	139.4	178.4	176.6	0	0	0	0	109.2
311	P	37.2	Very low	30.6	Very low	110 Å²	110	146.3 Å²	146.3	71%	0.714	79%	0.794	S	S	*	*				-137.8	161.1	115.3	37.1	-24.8	0	0	0	110.9
312	Q	30	Very low	31.1	Very low	175 Å²	175	138.7 Å²	138.7	82%	0.818	79%	0.788	S	S	*	*			cis	-158.5	148.2	-1.6	-124.9	169.1	-24.2	0	0	106.6	N314	Q312-N314 PolarHBondContact O-N 2.85Å
313	D	31.3	Very low	32.4	Very low	166 Å²	166	134 Å²	134	89%	0.888	77%	0.774	S	S	*	*			trans	-67.4	122.8	168.2	-77.3	-50.2	0	0	0	110
314	N	28.6	Very low	34.3	Very low	147 Å²	147	129.1 Å²	129.1	79%	0.786	76%	0.762	S	S	*	*			trans	-131.9	134	158.4	-108.5	-11.1	0	0	0	108.6	Q312 D316	Q312-N314 PolarHBondContact O-N 2.85Å; N314-D316 PolarHBondContact O-N 3.48Å; N314-D316 VanDerWaalsContact O-N 3.12Å
315	V	40.9	Very low	37.3	Very low	143 Å²	143	124.2 Å²	124.2	87%	0.867	73%	0.727	S	S	*	*			trans	-80.4	93.1	-177.4	179.8	0	0	0	0	108.8
316	D	27.7	Very low	40	Very low	144 Å²	144	123.9 Å²	123.9	77%	0.77	71%	0.712	S	S	*	*			trans	-100.7	113.8	167.7	-82.9	-45.4	0	0	0	111	N314	N314-D316 PolarHBondContact O-N 3.48Å; N314-D316 VanDerWaalsContact O-N 3.12Å
317	T	29	Very low	43.2	Very low	121 Å²	121	119.8 Å²	119.8	74%	0.742	68%	0.682	S	S	*	*			trans	-48.4	141.3	167.5	36.6	0	0	0	0	112.4	P319	T317-P319 VanDerWaalsContact O-CD 3.24Å; T317-P319 WeakPolarHBondContact O-CD 3.38Å; T317-P319 VanDerWaalsContact O-N 3.12Å
318	H	31.2	Very low	46.5	Very low	191 Å²	191	115.5 Å²	115.5	88%	0.884	65%	0.653	S	S	*	*			trans	-41.5	114.4	173.5	-67.3	-75.7	0	0	0	113.3	G320	H318-G320 PolarHBondContact O-N 3.47Å
319	P	34.8	Very low	49.8	Very low	117 Å²	117	108.8 Å²	108.8	76%	0.76	63%	0.627	S	S	*	*			trans	-81.4	103.4	161.1	30.3	-25.6	0	0	0	107.8	T317 S321	T317-P319 VanDerWaalsContact O-CD 3.24Å; T317-P319 WeakPolarHBondContact O-CD 3.38Å; T317-P319 VanDerWaalsContact O-N 3.12Å; P319-S321 PolarHBondContact O-N 3.23Å
320	G	38.1	Very low	52.5	Low	76 Å²	76	105.7 Å²	105.7	78%	0.784	61%	0.606	S	S	*	*			trans	-62.3	101.4	162.1	0	0	0	0	0	108.3	H318 G322	H318-G320 PolarHBondContact O-N 3.47Å; G320-G322 PolarHBondContact O-N 3.35Å
321	S	33.8	Very low	55.6	Low	98 Å²	98	101.2 Å²	101.2	69%	0.685	58%	0.582	S	S	*	*			trans	-77	75.2	-174.2	68.5	0	0	0	0	111.3	P319 K323	P319-S321 PolarHBondContact O-N 3.23Å; S321-K323 VanDerWaalsContact C-N 3.34Å; S321-K323 PolarHBondContact O-N 3.25Å
322	G	37.8	Very low	58.2	Low	72 Å²	72	98.2 Å²	98.2	74%	0.742	56%	0.559	S	S	*	*			trans	-61.1	99.4	159.2	0	0	0	0	0	108.1	G320 E324	G320-G322 PolarHBondContact O-N 3.35Å; G322-E324 PolarHBondContact O-N 2.85Å; G322-E324 VanDerWaalsContact O-N 3.1Å
323	K	55.8	Low	61.2	Low	147 Å²	147	91 Å²	91	64%	0.639	53%	0.528	S	S	*	.			trans	-69	108.3	174	-70.9	-177.7	-178.7	175.3	0	107.2	S321 V325	S321-K323 VanDerWaalsContact C-N 3.34Å; S321-K323 PolarHBondContact O-N 3.25Å; K323-V325 PolarHBondContact O-N 3.2Å
324	E	67.1	Low	64.2	Low	138 Å²	138	86.3 Å²	86.3	65%	0.645	51%	0.505	S	S	*	.			trans	-72.1	104.4	-169.2	-154.8	-179.9	176.5	0	0	110.5	G322 R326	G322-E324 PolarHBondContact O-N 2.85Å; G322-E324 VanDerWaalsContact O-N 3.1Å; E324-R326 PolarHBondContact O-N 3.37Å; E324-R326 IonicContact OE1-CZ 3.34Å; E324-R326 IonicContact OE1-NH1 3.43Å; E324-R326 PolarHBondContact OE1-NH1 3.13Å; E324-R326 IonicContact OE1-NH2 2.84Å; E324-R326 PolarHBondContact OE1-NH2 3.3Å; E324-R326 IonicContact OE2-CZ 3.97Å; E324-R326 IonicContact OE2-NH1 2.8Å; E324-R326 IonicContact OE2-NH2 2.8Å; E324-R326 PolarHBondContact OE2-NH2 3.03Å
325	V	88.6	Confident	67.5	Low	8 Å²	8	80.7 Å²	80.7	5%	0.048	47%	0.474	C	S	.	.			trans	-66.1	134.6	177	175.2	0	0	0	0	109.5	K323 P561 D562 Y565 W602	K323-V325 PolarHBondContact O-N 3.2Å; V325-P561 HydrophobicContact CG2-CG 3.73Å; V325-D562 HydrophobicContact CB-CB 4.46Å; V325-D562 HydrophobicContact CG2-CB 3.71Å; V325-D562 VanDerWaalsContact CG2-CG 3.41Å; V325-Y565 HydrophobicContact CG1-CD2 4.09Å; V325-Y565 HydrophobicContact CG1-CE2 4.28Å; V325-W602 HydrophobicContact CG1-CH2 4.32Å; V325-W602 HydrophobicContact CG1-CZ2 3.51Å
326	R	84.6	Confident	70.2	Confident	123 Å²	123	78.9 Å²	78.9	46%	0.464	46%	0.459	S	S	.	.			trans	-116	133.3	174.3	-65.3	-59.6	-170.2	-141.1	-0.7	109.9	E324 P328 Q623	E324-R326 PolarHBondContact O-N 3.37Å; E324-R326 IonicContact OE1-CZ 3.34Å; E324-R326 IonicContact OE1-NH1 3.43Å; E324-R326 PolarHBondContact OE1-NH1 3.13Å; E324-R326 IonicContact OE1-NH2 2.84Å; E324-R326 PolarHBondContact OE1-NH2 3.3Å; E324-R326 IonicContact OE2-CZ 3.97Å; E324-R326 IonicContact OE2-NH1 2.8Å; E324-R326 IonicContact OE2-NH2 2.8Å; E324-R326 PolarHBondContact OE2-NH2 3.03Å; R326-P328 WeakPolarHBondContact O-CD 3.44Å; R326-Q623 HydrophobicContact CB-CB 4.04Å; R326-Q623 HydrophobicContact CB-CG 4.39Å
327	V	94	Very high	73.5	Confident	16 Å²	16	72 Å²	72	10%	0.097	42%	0.423	C	S	.	.			trans	-69.2	121.4	172.2	-173.7	0	0	0	0	108.2	Y565 I577 E586 K587 Q623	V327-Y565 HydrophobicContact CG2-CD1 3.71Å; V327-Y565 HydrophobicContact CG2-CD2 4.15Å; V327-Y565 HydrophobicContact CG2-CE1 3.35Å; V327-Y565 HydrophobicContact CG2-CE2 3.81Å; V327-Y565 HydrophobicContact CG2-CG 4.1Å; V327-I577 HydrophobicContact CG1-CB 4.17Å; V327-I577 HydrophobicContact CG1-CD1 3.86Å; V327-I577 HydrophobicContact CG1-CG2 3.93Å; V327-E586 HydrophobicContact CG1-CB 4.43Å; V327-K587 HydrophobicContact CG1-CB 4.06Å; V327-K587 HydrophobicContact CG1-CG 3.46Å; V327-K587 VanDerWaalsContact CG1-CG 3.46Å; V327-Q623 PolarHBondContact O-OE1 3.41Å
328	P	94.7	Very high	76.7	Confident	3 Å²	3	66.6 Å²	66.6	2%	0.019	39%	0.389	C	S	.	.			trans	-63.4	152.1	-177.2	26.2	-36.6	0	0	0	112.8	R326 I577 L589 V609 W621 A622	R326-P328 WeakPolarHBondContact O-CD 3.44Å; P328-I577 HydrophobicContact CG-CD1 3.62Å; P328-L589 HydrophobicContact CB-CD1 4.25Å; P328-L589 HydrophobicContact CG-CD1 3.92Å; P328-V609 HydrophobicContact CG-CB 4.01Å; P328-V609 HydrophobicContact CG-CG2 3.69Å; P328-W621 HydrophobicContact CB-CB 3.75Å; P328-W621 HydrophobicContact CG-CB 4.12Å; P328-A622 CarbonylContact C-O 3.54Å; P328-A622 WeakPolarHBondContact CA-O 3.34Å; P328-A622 WeakPolarHBondContact CB-O 3.44Å
329	T	93.4	Very high	79.6	Confident	45 Å²	45	63.5 Å²	63.5	28%	0.276	38%	0.379	S	S	.	.			trans	-116.9	-28.8	-177.1	46	0	0	0	0	114	L589 A622 Q623	T329-L589 WeakPolarHBondContact O-CD2 3.49Å; T329-A622 PolarHBondContact N-O 2.68Å; T329-A622 PolarHBondContact OG1-O 2.87Å; T329-Q623 VanDerWaalsContact CG2-OE1 3.27Å
330	T	93.6	Very high	82.3	Confident	58 Å²	58	59 Å²	59	36%	0.356	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	151.1	-168.1	42.7	0	0	0	0	110.8	W621 A622	T330-W621 VanDerWaalsContact O-CA 3.28Å; T330-W621 WeakPolarHBondContact O-CA 3.42Å; T330-A622 PolarHBondContact N-O 2.87Å; T330-A622 PolarHBondContact O-N 3.49Å
331	A	94.8	Very high	85.2	Confident	28 Å²	28	57.9 Å²	57.9	23%	0.231	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	125.3	167.3	0	0	0	0	0	108.9	V334 Q592 V619 L620 W621	A331-V334 HydrophobicContact CB-CG2 4.33Å; A331-Q592 HydrophobicContact CB-CG 3.87Å; A331-V619 HydrophobicContact CB-CG1 3.59Å; A331-L620 CarbonylContact C-O 3.6Å; A331-L620 WeakPolarHBondContact CA-O 3.47Å; A331-W621 HydrophobicContact CB-CD2 4.37Å; A331-W621 HydrophobicContact CB-CE3 3.78Å; A331-W621 HydrophobicContact CB-CZ3 3.87Å
332	L	92.4	Very high	88.2	Confident	46 Å²	46	53.2 Å²	53.2	24%	0.241	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-41.1	173.4	-61.9	-170.3	0	0	0	111.3	E371 L620 A622 Y624	L332-E371 HydrophobicContact CB-CB 4.43Å; L332-E371 HydrophobicContact CD1-CB 4.01Å; L332-E371 HydrophobicContact CD1-CG 4.02Å; L332-L620 PolarHBondContact N-O 3.35Å; L332-A622 HydrophobicContact CD1-CB 3.33Å; L332-A622 HydrophobicContact CD2-CB 4.31Å; L332-A622 HydrophobicContact CG-CB 3.65Å; L332-Y624 HydrophobicContact CD2-CD2 4.17Å
333	C	92.4	Very high	91.1	Very high	25 Å²	25	50.6 Å²	50.6	17%	0.169	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	135	-176.3	-166.9	0	0	0	0	110.3	C373 V619 L620	C333-C373 HydrophobicContact CB-CB 4.49Å; C333-V619 WeakPolarHBondContact O-CA 3.47Å; C333-L620 HydrophobicContact CB-CB 4.02Å; C333-L620 PolarHBondContact N-O 2.96Å; C333-L620 PolarHBondContact O-N 2.96Å
334	V	95.8	Very high	93.2	Very high	67 Å²	67	43.8 Å²	43.8	41%	0.406	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	125	173.1	-177.9	0	0	0	0	106.7	A331 V619	A331-V334 HydrophobicContact CB-CG2 4.33Å; V334-V619 HydrophobicContact CG1-CG2 4.16Å; V334-V619 HydrophobicContact CG2-CG1 4.14Å; V334-V619 HydrophobicContact CG2-CG2 4.17Å
335	F	96.3	Very high	94.7	Very high	28 Å²	28	37.6 Å²	37.6	12%	0.123	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	149.7	-178.3	60.8	-84.4	0	0	0	111.5	A337 L354 W366 C373 K617 A618	F335-A337 HydrophobicContact CD2-CB 4.19Å; F335-A337 HydrophobicContact CE2-CB 3.91Å; F335-A337 PolarHBondContact O-N 2.92Å; F335-L354 HydrophobicContact CZ-CD2 4.21Å; F335-W366 HydrophobicContact CD2-CD2 4.46Å; F335-W366 AromaticContact CD2-CE3 3.99Å; F335-W366 HydrophobicContact CD2-CE3 3.99Å; F335-W366 AromaticContact CD2-CH2 3.74Å; F335-W366 HydrophobicContact CD2-CH2 3.74Å; F335-W366 HydrophobicContact CD2-CZ2 4.23Å; F335-W366 AromaticContact CD2-CZ3 3.6Å; F335-W366 HydrophobicContact CD2-CZ3 3.6Å; F335-W366 AromaticContact CE2-CD2 3.63Å; F335-W366 HydrophobicContact CE2-CD2 3.63Å; F335-W366 AromaticContact CE2-CE2 3.68Å; F335-W366 AromaticContact CE2-CE3 3.57Å; F335-W366 HydrophobicContact CE2-CE3 3.57Å; F335-W366 HydrophobicContact CE2-CG 4.37Å; F335-W366 AromaticContact CE2-CH2 3.72Å; F335-W366 HydrophobicContact CE2-CH2 3.72Å; F335-W366 AromaticContact CE2-CZ2 3.76Å; F335-W366 HydrophobicContact CE2-CZ2 3.76Å; F335-W366 AromaticContact CE2-CZ3 3.6Å; F335-W366 HydrophobicContact CE2-CZ3 3.6Å; F335-W366 HydrophobicContact CZ-CD2 4.16Å; F335-W366 HydrophobicContact CZ-CE3 4.25Å; F335-W366 HydrophobicContact CZ-CG 4.49Å; F335-C373 HydrophobicContact CD1-CB 4.43Å; F335-C373 HydrophobicContact CE1-CB 3.86Å; F335-C373 VanDerWaalsContact CE1-SG 3.59Å; F335-C373 HydrophobicContact CZ-CB 4.39Å; F335-C373 VanDerWaalsContact CZ-SG 3.51Å; F335-K617 WeakPolarHBondContact O-CA 3.4Å; F335-A618 HydrophobicContact CD1-CB 4.38Å; F335-A618 HydrophobicContact CD2-CB 4.23Å; F335-A618 HydrophobicContact CE1-CB 3.86Å; F335-A618 HydrophobicContact CE2-CB 3.69Å; F335-A618 HydrophobicContact CZ-CB 3.49Å; F335-A618 VanDerWaalsContact CZ-CB 3.49Å; F335-A618 PolarHBondContact N-O 3.15Å; F335-A618 PolarHBondContact O-N 3.06Å
336	D	97.4	Very high	95.1	Very high	106 Å²	106	40.5 Å²	40.5	57%	0.567	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	107.4	172.7	-60.4	-28.3	0	0	0	107.8	K617	D336-K617 WeakPolarHBondContact OD1-CG 3.4Å
337	A	97.2	Very high	95.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.2	C	C	.	.			trans	-80.3	-46.1	-173.6	0	0	0	0	0	110.8	F335 V342 T356 K364 W366 C616 A618	F335-A337 HydrophobicContact CD2-CB 4.19Å; F335-A337 HydrophobicContact CE2-CB 3.91Å; F335-A337 PolarHBondContact O-N 2.92Å; A337-V342 HydrophobicContact CB-CG2 4.37Å; A337-T356 HydrophobicContact CB-CG2 4.38Å; A337-K364 WeakPolarHBondContact O-CD 3.33Å; A337-K364 WeakPolarHBondContact O-CE 3.41Å; A337-K364 PolarHBondContact O-NZ 3.27Å; A337-W366 HydrophobicContact CB-CH2 4.46Å; A337-W366 HydrophobicContact CB-CZ2 3.9Å; A337-W366 WeakPolarHBondContact O-CZ2 3.4Å; A337-C616 PolarHBondContact N-O 3.05Å; A337-A618 HydrophobicContact CB-CB 3.89Å
338	H	97.8	Very high	96	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.028	20%	0.199	C	C	.	.	S	Bend	trans	-124.6	177.1	-176	-70.9	-92.3	0	0	0	111.8	G340 V342 T356 G357 G358 D360 R362 C616	H338-G340 PolarHBondContact O-N 2.84Å; H338-V342 HydrophobicContact CB-CG2 4.19Å; H338-T356 PolarHBondContact CE1-O 3.07Å; H338-T356 VanDerWaalsContact NE2-CB 3.27Å; H338-T356 WeakPolarHBondContact NE2-CB 3.31Å; H338-T356 PolarHBondContact NE2-O 3.46Å; H338-T356 PolarHBondContact NE2-OG1 3.03Å; H338-G357 PolarHBondContact NE2-N 3.35Å; H338-G358 PolarHBondContact CE1-N 3.48Å; H338-G358 VanDerWaalsContact CE1-N 3.35Å; H338-D360 IonicContact CE1-OD1 3.74Å; H338-D360 IonicContact CE1-OD2 3.24Å; H338-D360 IonicContact CG-OD1 2.96Å; H338-D360 IonicContact CG-OD2 3.57Å; H338-D360 IonicContact ND1-OD1 2.73Å; H338-D360 PolarHBondContact ND1-OD1 3.47Å; H338-D360 IonicContact ND1-OD2 2.64Å; H338-D360 PolarHBondContact ND1-OD2 2.85Å; H338-R362 PolarHBondContact CE1-O 3.25Å; H338-C616 PolarHBondContact N-O 3.06Å; H338-C616 WeakPolarHBondContact O-CB 3.35Å
339	D	91.3	Very high	96	Very high	126 Å²	126	37.2 Å²	37.2	67%	0.674	22%	0.215	S	C	*	.	S	Bend	trans	-88.3	10	179.7	-40.4	-13.8	0	0	0	110.6	D360 K364	D339-D360 HydrophobicContact CB-CB 4.19Å; D339-K364 IonicContact OD1-NZ 3.14Å; D339-K364 PolarHBondContact OD1-NZ 3.03Å; D339-K364 VanDerWaalsContact OD1-NZ 3.13Å
340	G	92.4	Very high	96	Very high	24 Å²	24	38.1 Å²	38.1	25%	0.247	23%	0.233	C	C	.	.	S	Bend	trans	177.8	-162.8	-175.6	0	0	0	0	0	111.4	H338 V342 C616	H338-G340 PolarHBondContact O-N 2.84Å; G340-V342 PolarHBondContact O-N 2.83Å; G340-C616 VanDerWaalsContact O-CA 3.28Å; G340-C616 WeakPolarHBondContact O-CA 3.47Å; G340-C616 VanDerWaalsContact O-CB 3.24Å; G340-C616 WeakPolarHBondContact O-CB 3.39Å
341	E	97.3	Very high	96.1	Very high	52 Å²	52	36.1 Å²	36.1	24%	0.243	22%	0.222	C	C	.	.			trans	-48.4	126.1	-175.4	170.3	169.4	-149.1	0	0	113.9	N343 G358 M359 N598 K614	E341-N343 WeakPolarHBondContact CG-OD1 3.47Å; E341-G358 CarbonylContact O-C 3.52Å; E341-G358 WeakPolarHBondContact O-CA 3.29Å; E341-M359 HydrophobicContact CB-CB 4.37Å; E341-M359 HydrophobicContact CB-CG 3.85Å; E341-M359 HydrophobicContact CG-CG 4.11Å; E341-M359 PolarHBondContact O-N 3.29Å; E341-N598 VanDerWaalsContact CG-ND2 3.26Å; E341-N598 WeakPolarHBondContact CG-ND2 3.5Å; E341-N598 PolarHBondContact OE1-ND2 2.83Å; E341-K614 WeakPolarHBondContact CA-O 3.45Å; E341-K614 HydrophobicContact CG-CB 4.38Å; E341-K614 HydrophobicContact CG-CG 4.17Å; E341-K614 PolarHBondContact N-O 3.49Å; E341-K614 WeakPolarHBondContact OE1-CG 3.3Å; E341-K614 IonicContact OE1-NZ 3.6Å; E341-K614 PolarHBondContact OE1-NZ 2.95Å
342	V	98.6	Very high	96	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	125.6	174.2	-161.5	0	0	0	0	108.8	A337 H338 G340 N598 V612 D613	A337-V342 HydrophobicContact CB-CG2 4.37Å; H338-V342 HydrophobicContact CB-CG2 4.19Å; G340-V342 PolarHBondContact O-N 2.83Å; V342-N598 WeakPolarHBondContact O-CB 3.37Å; V342-N598 PolarHBondContact O-ND2 3.44Å; V342-V612 HydrophobicContact CB-CB 3.77Å; V342-V612 HydrophobicContact CB-CG2 3.85Å; V342-V612 HydrophobicContact CG1-CB 3.69Å; V342-V612 HydrophobicContact CG1-CG1 4.17Å; V342-V612 HydrophobicContact CG1-CG2 3.6Å; V342-V612 HydrophobicContact CG2-CB 4.37Å; V342-D613 PolarHBondContact N-O 2.96Å
343	N	98.4	Very high	96.3	Very high	17 Å²	17	40.1 Å²	40.1	9%	0.091	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-27.3	-173.5	-68.3	-40.4	0	0	0	113.7	E341 G357 M359 I386	E341-N343 WeakPolarHBondContact CG-OD1 3.47Å; N343-G357 PolarHBondContact N-O 3.21Å; N343-M359 PolarHBondContact ND2-SD 3.5Å; N343-I386 WeakPolarHBondContact CB-O 3.5Å; N343-I386 PolarHBondContact ND2-O 3.43Å
344	A	98.5	Very high	96.5	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.033	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	143.1	-172.8	0	0	0	0	0	110.5	T356 G357 I386 I389	A344-T356 CarbonylContact O-C 3.49Å; A344-T356 WeakPolarHBondContact O-CA 3.46Å; A344-G357 PolarHBondContact N-O 3.27Å; A344-G357 PolarHBondContact O-N 3.1Å; A344-I386 HydrophobicContact CB-CG2 4.49Å; A344-I389 HydrophobicContact CB-CB 4.32Å; A344-I389 HydrophobicContact CB-CD1 4.03Å; A344-I389 HydrophobicContact CB-CG1 3.95Å
345	V	98.8	Very high	96.7	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.042	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	137.2	173.2	66	0	0	0	0	109.3	L354 A355 T356 A599 A601 V610 V612	V345-L354 HydrophobicContact CG2-CD1 3.5Å; V345-L354 HydrophobicContact CG2-CG 4.45Å; V345-A355 CarbonylContact C-O 3.56Å; V345-A355 VanDerWaalsContact CA-O 3.28Å; V345-A355 WeakPolarHBondContact CA-O 3.48Å; V345-T356 HydrophobicContact CG2-CG2 4Å; V345-A599 HydrophobicContact CG1-CB 3.92Å; V345-A601 HydrophobicContact CG1-CB 4.16Å; V345-V610 HydrophobicContact CB-CG1 4.38Å; V345-V610 HydrophobicContact CG1-CG1 4.02Å; V345-V610 HydrophobicContact CG2-CB 4.39Å; V345-V610 HydrophobicContact CG2-CG1 3.42Å; V345-V610 VanDerWaalsContact CG2-CG1 3.42Å; V345-V610 HydrophobicContact CG2-CG2 4.05Å; V345-V612 HydrophobicContact CB-CG1 3.76Å; V345-V612 HydrophobicContact CB-CG2 3.92Å; V345-V612 HydrophobicContact CG1-CG1 4.05Å; V345-V612 HydrophobicContact CG1-CG2 3.86Å; V345-V612 HydrophobicContact CG2-CG1 3.87Å
346	Q	98.6	Very high	96.8	Very high	69 Å²	69	34.4 Å²	34.4	32%	0.322	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	137.5	-179.3	-160.1	86.6	25.9	0	0	109.7	A355 I389 F391	Q346-A355 PolarHBondContact N-O 3.35Å; Q346-A355 PolarHBondContact O-N 3.29Å; Q346-I389 HydrophobicContact CB-CB 4.34Å; Q346-I389 HydrophobicContact CB-CG2 3.85Å; Q346-I389 PolarHBondContact OE1-O 2.94Å; Q346-F391 HydrophobicContact CB-CD2 4.37Å; Q346-F391 HydrophobicContact CG-CD2 4.18Å
347	F	98.3	Very high	96.9	Very high	10 Å²	10	29.3 Å²	29.3	4%	0.044	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	147.3	164.1	-74.3	-84.5	0	0	0	110.7	L354 V368 F391 A601 S603 H608 V610 L620	F347-L354 HydrophobicContact CD1-CB 4.34Å; F347-L354 HydrophobicContact CD1-CD1 4.19Å; F347-L354 HydrophobicContact CD2-CD1 4.44Å; F347-L354 HydrophobicContact CE1-CB 4.33Å; F347-L354 HydrophobicContact CE1-CD1 4.11Å; F347-L354 HydrophobicContact CE2-CD1 4.39Å; F347-L354 HydrophobicContact CG-CD1 4.36Å; F347-L354 HydrophobicContact CZ-CD1 4.22Å; F347-V368 HydrophobicContact CE1-CG2 4.28Å; F347-F391 WeakPolarHBondContact O-CD2 3.31Å; F347-A601 HydrophobicContact CD2-CB 4.03Å; F347-A601 HydrophobicContact CE2-CB 4.44Å; F347-S603 VanDerWaalsContact CD2-CA 3.45Å; F347-S603 VanDerWaalsContact CD2-N 3.32Å; F347-H608 HydrophobicContact CE1-CB 4.38Å; F347-H608 HydrophobicContact CZ-CB 3.83Å; F347-V610 HydrophobicContact CD2-CG1 4.23Å; F347-V610 HydrophobicContact CE2-CB 4.01Å; F347-V610 HydrophobicContact CE2-CG1 3.54Å; F347-V610 HydrophobicContact CZ-CB 4.11Å; F347-V610 HydrophobicContact CZ-CG1 4.07Å; F347-L620 HydrophobicContact CE1-CD1 4.35Å; F347-L620 HydrophobicContact CZ-CD1 3.79Å
348	S	97.5	Very high	96.9	Very high	8 Å²	8	29.3 Å²	29.3	6%	0.056	17%	0.168	C	C	.	.			trans	-64.8	155	164.8	56.4	0	0	0	0	111.5	G350 S351 L353	S348-G350 PolarHBondContact O-N 2.8Å; S348-G350 VanDerWaalsContact O-N 3.17Å; S348-S351 PolarHBondContact O-N 2.89Å; S348-L353 WeakPolarHBondContact CB-O 3.4Å; S348-L353 PolarHBondContact N-O 2.78Å; S348-L353 WeakPolarHBondContact OG-CA 3.49Å; S348-L353 WeakPolarHBondContact OG-CB 3.46Å; S348-L353 PolarHBondContact OG-N 3.36Å; S348-L353 PolarHBondContact OG-O 2.93Å
349	P	95.7	Very high	96.9	Very high	56 Å²	56	33.2 Å²	33.2	36%	0.364	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-37.1	178.2	-27.4	35	0	0	0	113.6	S351 F391 D392 P604	P349-S351 VanDerWaalsContact C-N 3.26Å; P349-S351 PolarHBondContact O-N 3.41Å; P349-F391 HydrophobicContact CG-CB 4.49Å; P349-D392 WeakPolarHBondContact CG-O 3.44Å; P349-P604 WeakPolarHBondContact O-CB 3.45Å
350	G	93.8	Very high	97.2	Very high	64 Å²	64	28.3 Å²	28.3	66%	0.66	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	0.8	176.4	0	0	0	0	0	115.5	S348 R352	S348-G350 PolarHBondContact O-N 2.8Å; S348-G350 VanDerWaalsContact O-N 3.17Å; G350-R352 PolarHBondContact O-N 3.35Å
351	S	94.6	Very high	97.4	Very high	16 Å²	16	33.8 Å²	33.8	11%	0.112	17%	0.174	C	C	.	.	S	Bend	trans	59.1	-1	-177.2	-51.5	0	0	0	0	116.9	S348 P349 P604 S605	S348-S351 PolarHBondContact O-N 2.89Å; P349-S351 VanDerWaalsContact C-N 3.26Å; P349-S351 PolarHBondContact O-N 3.41Å; S351-P604 VanDerWaalsContact OG-CD 3.29Å; S351-P604 WeakPolarHBondContact OG-CD 3.2Å; S351-S605 PolarHBondContact OG-N 3.41Å; S351-S605 PolarHBondContact OG-OG 2.78Å
352	R	93.8	Very high	97.5	Very high	141 Å²	141	36.4 Å²	36.4	53%	0.532	18%	0.182	S	C	.	.	S	Bend	trans	-78.6	-34.6	-179.7	177.7	178.3	171.6	-176.5	-0.7	113.4	G350 E367 V368 F369	G350-R352 PolarHBondContact O-N 3.35Å; R352-E367 HydrophobicContact CG-CG 4.24Å; R352-E367 IonicContact CZ-OE1 3.44Å; R352-E367 IonicContact NE-OE1 3.38Å; R352-E367 PolarHBondContact NE-OE1 3.5Å; R352-E367 IonicContact NH2-OE1 3.85Å; R352-E367 PolarHBondContact NH2-OE1 2.63Å; R352-V368 PolarHBondContact O-N 3.02Å; R352-F369 HydrophobicContact CG-CE1 4.48Å
353	L	97.2	Very high	97.5	Very high	16 Å²	16	36.4 Å²	36.4	8%	0.084	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	142.2	176.2	-61.2	175.7	0	0	0	111.1	S348 W366 E367 K376 F391 V412	S348-L353 WeakPolarHBondContact CB-O 3.4Å; S348-L353 PolarHBondContact N-O 2.78Å; S348-L353 WeakPolarHBondContact OG-CA 3.49Å; S348-L353 WeakPolarHBondContact OG-CB 3.46Å; S348-L353 PolarHBondContact OG-N 3.36Å; S348-L353 PolarHBondContact OG-O 2.93Å; L353-W366 WeakPolarHBondContact CA-O 3.41Å; L353-E367 HydrophobicContact CD2-CB 4.25Å; L353-E367 HydrophobicContact CD2-CG 4.06Å; L353-K376 HydrophobicContact CD2-CD 3.7Å; L353-F391 HydrophobicContact CB-CZ 4.49Å; L353-V412 HydrophobicContact CD1-CG1 3.44Å; L353-V412 VanDerWaalsContact CD1-CG1 3.44Å
354	L	98.3	Very high	97.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	136.8	169.2	171.2	68.7	0	0	0	108	F335 V345 F347 T356 L365 W366 V368 V610	F335-L354 HydrophobicContact CZ-CD2 4.21Å; V345-L354 HydrophobicContact CG2-CD1 3.5Å; V345-L354 HydrophobicContact CG2-CG 4.45Å; F347-L354 HydrophobicContact CD1-CB 4.34Å; F347-L354 HydrophobicContact CD1-CD1 4.19Å; F347-L354 HydrophobicContact CD2-CD1 4.44Å; F347-L354 HydrophobicContact CE1-CB 4.33Å; F347-L354 HydrophobicContact CE1-CD1 4.11Å; F347-L354 HydrophobicContact CE2-CD1 4.39Å; F347-L354 HydrophobicContact CG-CD1 4.36Å; F347-L354 HydrophobicContact CZ-CD1 4.22Å; L354-T356 HydrophobicContact CG-CG2 4.5Å; L354-L365 WeakPolarHBondContact O-CA 3.41Å; L354-W366 HydrophobicContact CB-CB 4.25Å; L354-W366 PolarHBondContact N-O 3.43Å; L354-W366 PolarHBondContact O-N 3.23Å; L354-V368 HydrophobicContact CB-CG2 3.75Å; L354-V610 HydrophobicContact CD1-CB 4.41Å; L354-V610 HydrophobicContact CD1-CG1 3.86Å; L354-V610 HydrophobicContact CD1-CG2 4.36Å; L354-V610 HydrophobicContact CD2-CG2 4.15Å
355	A	98.8	Very high	97.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.2	173	0	0	0	0	0	110.3	V345 Q346 V363 K364 L365 I389 F391 L398	V345-A355 CarbonylContact C-O 3.56Å; V345-A355 VanDerWaalsContact CA-O 3.28Å; V345-A355 WeakPolarHBondContact CA-O 3.48Å; Q346-A355 PolarHBondContact N-O 3.35Å; Q346-A355 PolarHBondContact O-N 3.29Å; A355-V363 HydrophobicContact CB-CG1 4.18Å; A355-K364 WeakPolarHBondContact CA-O 3.48Å; A355-L365 HydrophobicContact CB-CD2 3.69Å; A355-I389 HydrophobicContact CB-CD1 4.25Å; A355-I389 HydrophobicContact CB-CG2 3.95Å; A355-F391 HydrophobicContact CB-CE2 3.64Å; A355-F391 HydrophobicContact CB-CZ 3.78Å; A355-L398 HydrophobicContact CB-CD1 3.57Å
356	T	98.8	Very high	97.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	143.7	173.7	60.4	0	0	0	0	110	A337 H338 A344 V345 L354 V363 K364 W366 I389 V612	A337-T356 HydrophobicContact CB-CG2 4.38Å; H338-T356 PolarHBondContact CE1-O 3.07Å; H338-T356 VanDerWaalsContact NE2-CB 3.27Å; H338-T356 WeakPolarHBondContact NE2-CB 3.31Å; H338-T356 PolarHBondContact NE2-O 3.46Å; H338-T356 PolarHBondContact NE2-OG1 3.03Å; A344-T356 CarbonylContact O-C 3.49Å; A344-T356 WeakPolarHBondContact O-CA 3.46Å; V345-T356 HydrophobicContact CG2-CG2 4Å; L354-T356 HydrophobicContact CG-CG2 4.5Å; T356-V363 CarbonylContact O-C 3.49Å; T356-V363 VanDerWaalsContact O-CA 3.25Å; T356-V363 WeakPolarHBondContact O-CA 3.46Å; T356-K364 PolarHBondContact N-O 2.98Å; T356-K364 PolarHBondContact O-N 2.89Å; T356-W366 PolarHBondContact OG1-NE1 2.87Å; T356-I389 VanDerWaalsContact C-CD1 3.43Å; T356-V612 HydrophobicContact CG2-CG1 4.33Å
357	G	98.7	Very high	97.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	122.2	-178.5	0	0	0	0	0	111.5	H338 N343 A344 I389	H338-G357 PolarHBondContact NE2-N 3.35Å; N343-G357 PolarHBondContact N-O 3.21Å; A344-G357 PolarHBondContact N-O 3.27Å; A344-G357 PolarHBondContact O-N 3.1Å; G357-I389 VanDerWaalsContact N-CD1 3.33Å
358	G	97.6	Very high	97.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	172.9	-171	0	0	0	0	0	115.4	H338 E341 D360 R361 R362 G385 I386	H338-G358 PolarHBondContact CE1-N 3.48Å; H338-G358 VanDerWaalsContact CE1-N 3.35Å; E341-G358 CarbonylContact O-C 3.52Å; E341-G358 WeakPolarHBondContact O-CA 3.29Å; G358-D360 PolarHBondContact O-N 3.3Å; G358-R361 PolarHBondContact O-N 3.46Å; G358-R362 PolarHBondContact N-O 2.93Å; G358-G385 WeakPolarHBondContact O-CA 3.44Å; G358-I386 PolarHBondContact O-N 3.2Å
359	M	97.8	Very high	96.5	Very high	87 Å²	87	40.1 Å²	40.1	43%	0.429	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-14.9	169.6	-72	-62.6	-71.4	0	0	113.1	E341 N343 R361	E341-M359 HydrophobicContact CB-CB 4.37Å; E341-M359 HydrophobicContact CB-CG 3.85Å; E341-M359 HydrophobicContact CG-CG 4.11Å; E341-M359 PolarHBondContact O-N 3.29Å; N343-M359 PolarHBondContact ND2-SD 3.5Å; M359-R361 PolarHBondContact O-N 2.58Å; M359-R361 VanDerWaalsContact O-N 3.1Å
360	D	97.1	Very high	95.7	Very high	23 Å²	23	40.1 Å²	40.1	12%	0.123	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-3.8	167.6	73.3	-9.8	0	0	0	114	H338 D339 G358 R362 K364	H338-D360 IonicContact CE1-OD1 3.74Å; H338-D360 IonicContact CE1-OD2 3.24Å; H338-D360 IonicContact CG-OD1 2.96Å; H338-D360 IonicContact CG-OD2 3.57Å; H338-D360 IonicContact ND1-OD1 2.73Å; H338-D360 PolarHBondContact ND1-OD1 3.47Å; H338-D360 IonicContact ND1-OD2 2.64Å; H338-D360 PolarHBondContact ND1-OD2 2.85Å; D339-D360 HydrophobicContact CB-CB 4.19Å; G358-D360 PolarHBondContact O-N 3.3Å; D360-R362 VanDerWaalsContact C-N 3.3Å; D360-R362 PolarHBondContact OD1-N 3.33Å; D360-K364 VanDerWaalsContact OD2-CE 3.27Å; D360-K364 WeakPolarHBondContact OD2-CE 3.48Å; D360-K364 IonicContact OD2-NZ 2.97Å
361	R	98.1	Very high	95	Very high	140 Å²	140	42.2 Å²	42.2	53%	0.528	20%	0.198	S	C	.	.	S	Bend	trans	74.4	12.9	177.4	-39.6	170.3	-80.3	-164.7	-4.5	114	G358 M359 S382 N383	G358-R361 PolarHBondContact O-N 3.46Å; M359-R361 PolarHBondContact O-N 2.58Å; M359-R361 VanDerWaalsContact O-N 3.1Å; R361-S382 WeakPolarHBondContact CB-O 3.49Å; R361-S382 WeakPolarHBondContact O-CB 3.36Å; R361-N383 VanDerWaalsContact CD-C 3.43Å; R361-N383 WeakPolarHBondContact CD-O 3.35Å
362	R	97.9	Very high	94.6	Very high	106 Å²	106	47.6 Å²	47.6	40%	0.4	22%	0.219	S	C	.	.			trans	-107.2	151.9	177.7	-59.1	-171.9	-173.8	-142.2	8.2	111.3	H338 G358 D360 K364 S378 I386	H338-R362 PolarHBondContact CE1-O 3.25Å; G358-R362 PolarHBondContact N-O 2.93Å; D360-R362 VanDerWaalsContact C-N 3.3Å; D360-R362 PolarHBondContact OD1-N 3.33Å; R362-K364 HydrophobicContact CB-CG 4.4Å; R362-S378 PolarHBondContact NH1-OG 3.34Å; R362-I386 WeakPolarHBondContact O-CG1 3.47Å
363	V	98.8	Very high	94.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.2	151.2	178.1	0	0	0	0	107	A355 T356 S378 L379 I386 I389 L398 A400	A355-V363 HydrophobicContact CB-CG1 4.18Å; T356-V363 CarbonylContact O-C 3.49Å; T356-V363 VanDerWaalsContact O-CA 3.25Å; T356-V363 WeakPolarHBondContact O-CA 3.46Å; V363-S378 CarbonylContact O-C 3.59Å; V363-S378 WeakPolarHBondContact O-CA 3.45Å; V363-L379 HydrophobicContact CB-CB 4.14Å; V363-L379 HydrophobicContact CB-CD1 4.18Å; V363-L379 HydrophobicContact CB-CG 4.46Å; V363-L379 HydrophobicContact CG1-CD1 4.05Å; V363-L379 PolarHBondContact N-O 2.83Å; V363-L379 PolarHBondContact O-N 2.8Å; V363-I386 HydrophobicContact CG2-CD1 4.08Å; V363-I386 HydrophobicContact CG2-CG1 3.91Å; V363-I386 HydrophobicContact CG2-CG2 4.15Å; V363-I389 HydrophobicContact CB-CD1 4.47Å; V363-I389 HydrophobicContact CG1-CD1 3.76Å; V363-I389 HydrophobicContact CG1-CG1 4.45Å; V363-I389 HydrophobicContact CG2-CD1 4.03Å; V363-I389 HydrophobicContact CG2-CG1 4.15Å; V363-L398 HydrophobicContact CG1-CD1 3.89Å; V363-L398 HydrophobicContact CG1-CD2 4.08Å; V363-L398 HydrophobicContact CG2-CD2 4.27Å; V363-A400 HydrophobicContact CG2-CB 3.84Å
364	K	98.8	Very high	94.5	Very high	27 Å²	27	46 Å²	46	12%	0.117	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	135	175	-69.6	176.5	-175.6	-175.3	0	108.5	A337 D339 A355 T356 D360 R362 W366 F375	A337-K364 WeakPolarHBondContact O-CD 3.33Å; A337-K364 WeakPolarHBondContact O-CE 3.41Å; A337-K364 PolarHBondContact O-NZ 3.27Å; D339-K364 IonicContact OD1-NZ 3.14Å; D339-K364 PolarHBondContact OD1-NZ 3.03Å; D339-K364 VanDerWaalsContact OD1-NZ 3.13Å; A355-K364 WeakPolarHBondContact CA-O 3.48Å; T356-K364 PolarHBondContact N-O 2.98Å; T356-K364 PolarHBondContact O-N 2.89Å; D360-K364 VanDerWaalsContact OD2-CE 3.27Å; D360-K364 WeakPolarHBondContact OD2-CE 3.48Å; D360-K364 IonicContact OD2-NZ 2.97Å; R362-K364 HydrophobicContact CB-CG 4.4Å; K364-W366 HydrophobicContact CB-CZ2 3.86Å; K364-W366 HydrophobicContact CD-CZ2 3.97Å; K364-W366 PolarHBondContact O-NE1 3.27Å; K364-F375 HydrophobicContact CB-CD2 4.47Å; K364-F375 HydrophobicContact CB-CE2 3.97Å; K364-F375 HydrophobicContact CD-CE2 4.26Å; K364-F375 HydrophobicContact CG-CE2 3.97Å
365	L	98.6	Very high	94.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	134	178.2	-69.4	179.6	0	0	0	109.3	L354 A355 K376 G377 L379 F391 L398 V412 Y415	L354-L365 WeakPolarHBondContact O-CA 3.41Å; A355-L365 HydrophobicContact CB-CD2 3.69Å; L365-K376 WeakPolarHBondContact O-CB 3.26Å; L365-K376 PolarHBondContact O-N 3.14Å; L365-G377 PolarHBondContact N-O 3.2Å; L365-G377 PolarHBondContact O-N 3.46Å; L365-L379 HydrophobicContact CD1-CD1 4.25Å; L365-L379 HydrophobicContact CD1-CD2 4.21Å; L365-L379 HydrophobicContact CD1-CG 4.23Å; L365-L379 HydrophobicContact CG-CD1 4.43Å; L365-L379 HydrophobicContact CG-CG 4.45Å; L365-F391 HydrophobicContact CD2-CZ 4.1Å; L365-L398 HydrophobicContact CD2-CD1 3.9Å; L365-V412 HydrophobicContact CD1-CG1 4.09Å; L365-Y415 HydrophobicContact CB-CE1 4.47Å; L365-Y415 HydrophobicContact CD1-CD1 4.02Å; L365-Y415 HydrophobicContact CD1-CE1 3.78Å
366	W	98.3	Very high	94.3	Very high	19 Å²	19	54.9 Å²	54.9	7%	0.072	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.4	-177.4	-42.7	80.2	0	0	0	109.1	F335 A337 L353 L354 T356 K364 C373 E374 F375	F335-W366 HydrophobicContact CD2-CD2 4.46Å; F335-W366 AromaticContact CD2-CE3 3.99Å; F335-W366 HydrophobicContact CD2-CE3 3.99Å; F335-W366 AromaticContact CD2-CH2 3.74Å; F335-W366 HydrophobicContact CD2-CH2 3.74Å; F335-W366 HydrophobicContact CD2-CZ2 4.23Å; F335-W366 AromaticContact CD2-CZ3 3.6Å; F335-W366 HydrophobicContact CD2-CZ3 3.6Å; F335-W366 AromaticContact CE2-CD2 3.63Å; F335-W366 HydrophobicContact CE2-CD2 3.63Å; F335-W366 AromaticContact CE2-CE2 3.68Å; F335-W366 AromaticContact CE2-CE3 3.57Å; F335-W366 HydrophobicContact CE2-CE3 3.57Å; F335-W366 HydrophobicContact CE2-CG 4.37Å; F335-W366 AromaticContact CE2-CH2 3.72Å; F335-W366 HydrophobicContact CE2-CH2 3.72Å; F335-W366 AromaticContact CE2-CZ2 3.76Å; F335-W366 HydrophobicContact CE2-CZ2 3.76Å; F335-W366 AromaticContact CE2-CZ3 3.6Å; F335-W366 HydrophobicContact CE2-CZ3 3.6Å; F335-W366 HydrophobicContact CZ-CD2 4.16Å; F335-W366 HydrophobicContact CZ-CE3 4.25Å; F335-W366 HydrophobicContact CZ-CG 4.49Å; A337-W366 HydrophobicContact CB-CH2 4.46Å; A337-W366 HydrophobicContact CB-CZ2 3.9Å; A337-W366 WeakPolarHBondContact O-CZ2 3.4Å; L353-W366 WeakPolarHBondContact CA-O 3.41Å; L354-W366 HydrophobicContact CB-CB 4.25Å; L354-W366 PolarHBondContact N-O 3.43Å; L354-W366 PolarHBondContact O-N 3.23Å; T356-W366 PolarHBondContact OG1-NE1 2.87Å; K364-W366 HydrophobicContact CB-CZ2 3.86Å; K364-W366 HydrophobicContact CD-CZ2 3.97Å; K364-W366 PolarHBondContact O-NE1 3.27Å; W366-C373 VanDerWaalsContact CB-SG 3.54Å; W366-E374 CarbonylContact C-O 3.48Å; W366-E374 WeakPolarHBondContact CA-O 3.2Å; W366-F375 HydrophobicContact CD2-CD2 4.37Å; W366-F375 HydrophobicContact CE3-CB 3.79Å; W366-F375 HydrophobicContact CE3-CD2 4.18Å; W366-F375 HydrophobicContact CH2-CB 4.44Å; W366-F375 HydrophobicContact CH2-CD2 4.05Å; W366-F375 HydrophobicContact CZ2-CD2 4.24Å; W366-F375 HydrophobicContact CZ3-CB 3.67Å; W366-F375 HydrophobicContact CZ3-CD2 4.03Å; W366-F375 HydrophobicContact CZ3-CG 4.3Å
367	E	96.3	Very high	94.3	Very high	28 Å²	28	55.4 Å²	55.4	13%	0.131	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.3	177	-155.9	160.5	-161.6	0	0	109.9	R352 L353 F369 C373 E374 K376	R352-E367 HydrophobicContact CG-CG 4.24Å; R352-E367 IonicContact CZ-OE1 3.44Å; R352-E367 IonicContact NE-OE1 3.38Å; R352-E367 PolarHBondContact NE-OE1 3.5Å; R352-E367 IonicContact NH2-OE1 3.85Å; R352-E367 PolarHBondContact NH2-OE1 2.63Å; L353-E367 HydrophobicContact CD2-CB 4.25Å; L353-E367 HydrophobicContact CD2-CG 4.06Å; E367-F369 HydrophobicContact CB-CD2 4.47Å; E367-F369 HydrophobicContact CB-CE2 4.1Å; E367-F369 HydrophobicContact CG-CD2 4Å; E367-F369 HydrophobicContact CG-CE1 4.29Å; E367-F369 HydrophobicContact CG-CE2 3.37Å; E367-F369 HydrophobicContact CG-CZ 3.55Å; E367-F369 VanDerWaalsContact OE1-CZ 3.26Å; E367-F369 WeakPolarHBondContact OE1-CZ 3.46Å; E367-C373 WeakPolarHBondContact O-CA 3.47Å; E367-E374 PolarHBondContact N-O 2.85Å; E367-E374 PolarHBondContact O-N 3.02Å; E367-K376 HydrophobicContact CB-CD 4.42Å; E367-K376 IonicContact OE1-NZ 3.83Å
368	V	92.6	Very high	94.2	Very high	10 Å²	10	56.9 Å²	56.9	6%	0.061	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	113.8	-171.8	-177.1	0	0	0	0	108.7	F347 R352 L354 K372 L620	F347-V368 HydrophobicContact CE1-CG2 4.28Å; R352-V368 PolarHBondContact O-N 3.02Å; L354-V368 HydrophobicContact CB-CG2 3.75Å; V368-K372 WeakPolarHBondContact CA-O 3.5Å; V368-L620 HydrophobicContact CG1-CD2 4.05Å
369	F	84.9	Confident	94.2	Very high	109 Å²	109	56.9 Å²	56.9	48%	0.478	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	104.9	-176.4	-68.8	-59.6	0	0	0	110.3	R352 E367 E371 K372	R352-F369 HydrophobicContact CG-CE1 4.48Å; E367-F369 HydrophobicContact CB-CD2 4.47Å; E367-F369 HydrophobicContact CB-CE2 4.1Å; E367-F369 HydrophobicContact CG-CD2 4Å; E367-F369 HydrophobicContact CG-CE1 4.29Å; E367-F369 HydrophobicContact CG-CE2 3.37Å; E367-F369 HydrophobicContact CG-CZ 3.55Å; E367-F369 VanDerWaalsContact OE1-CZ 3.26Å; E367-F369 WeakPolarHBondContact OE1-CZ 3.46Å; F369-E371 PolarHBondContact O-N 3.47Å; F369-E371 VanDerWaalsContact O-N 3.16Å; F369-K372 PolarHBondContact N-O 3.17Å; F369-K372 PolarHBondContact O-N 2.84Å
370	G	79.2	Confident	94.2	Very high	56 Å²	56	55.7 Å²	55.7	58%	0.577	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	-122	-174.3	0	0	0	0	0	110.1	K372 H608	G370-K372 VanDerWaalsContact C-N 3.32Å; G370-K372 PolarHBondContact O-N 3.17Å; G370-H608 PolarHBondContact O-CE1 3.47Å; G370-H608 VanDerWaalsContact O-CE1 3.25Å; G370-H608 PolarHBondContact O-NE2 3.45Å
371	E	78.9	Confident	94.2	Very high	108 Å²	108	56.4 Å²	56.4	51%	0.505	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-1.5	-178.2	-46.9	-173.2	141.1	0	0	114.7	L332 F369 Y624	L332-E371 HydrophobicContact CB-CB 4.43Å; L332-E371 HydrophobicContact CD1-CB 4.01Å; L332-E371 HydrophobicContact CD1-CG 4.02Å; F369-E371 PolarHBondContact O-N 3.47Å; F369-E371 VanDerWaalsContact O-N 3.16Å; E371-Y624 WeakPolarHBondContact OE1-CE2 3.13Å
372	K	85.8	Confident	94.2	Very high	130 Å²	130	50.1 Å²	50.1	57%	0.565	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	147	-175.3	-67.4	-173.8	174.7	-171.3	0	113.3	V368 F369 G370	V368-K372 WeakPolarHBondContact CA-O 3.5Å; F369-K372 PolarHBondContact N-O 3.17Å; F369-K372 PolarHBondContact O-N 2.84Å; G370-K372 VanDerWaalsContact C-N 3.32Å; G370-K372 PolarHBondContact O-N 3.17Å
373	C	93.7	Very high	94.2	Very high	15 Å²	15	50.9 Å²	50.9	10%	0.101	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	112.7	171.4	-171.8	0	0	0	0	108.5	C333 F335 W366 E367 L620	C333-C373 HydrophobicContact CB-CB 4.49Å; F335-C373 HydrophobicContact CD1-CB 4.43Å; F335-C373 HydrophobicContact CE1-CB 3.86Å; F335-C373 VanDerWaalsContact CE1-SG 3.59Å; F335-C373 HydrophobicContact CZ-CB 4.39Å; F335-C373 VanDerWaalsContact CZ-SG 3.51Å; W366-C373 VanDerWaalsContact CB-SG 3.54Å; E367-C373 WeakPolarHBondContact O-CA 3.47Å; C373-L620 HydrophobicContact CB-CD2 4.4Å
374	E	95.4	Very high	94.2	Very high	108 Å²	108	52.2 Å²	52.2	51%	0.505	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	141.1	-174.2	-66.9	-176.6	-177.8	0	0	111.2	W366 E367 K376	W366-E374 CarbonylContact C-O 3.48Å; W366-E374 WeakPolarHBondContact CA-O 3.2Å; E367-E374 PolarHBondContact N-O 2.85Å; E367-E374 PolarHBondContact O-N 3.02Å; E374-K376 PolarHBondContact O-N 3.04Å
375	F	97.1	Very high	94.1	Very high	117 Å²	117	51.1 Å²	51.1	51%	0.513	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	125	-179	176.5	-106.6	0	0	0	111.3	K364 W366 G377	K364-F375 HydrophobicContact CB-CD2 4.47Å; K364-F375 HydrophobicContact CB-CE2 3.97Å; K364-F375 HydrophobicContact CD-CE2 4.26Å; K364-F375 HydrophobicContact CG-CE2 3.97Å; W366-F375 HydrophobicContact CD2-CD2 4.37Å; W366-F375 HydrophobicContact CE3-CB 3.79Å; W366-F375 HydrophobicContact CE3-CD2 4.18Å; W366-F375 HydrophobicContact CH2-CB 4.44Å; W366-F375 HydrophobicContact CH2-CD2 4.05Å; W366-F375 HydrophobicContact CZ2-CD2 4.24Å; W366-F375 HydrophobicContact CZ3-CB 3.67Å; W366-F375 HydrophobicContact CZ3-CD2 4.03Å; W366-F375 HydrophobicContact CZ3-CG 4.3Å; F375-G377 WeakPolarHBondContact CE2-O 3.33Å
376	K	96.8	Very high	94.1	Very high	69 Å²	69	51.1 Å²	51.1	30%	0.3	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-33.8	-176.1	-155.6	-169.3	172.8	172.5	0	113.5	L353 L365 E367 E374 Y415	L353-K376 HydrophobicContact CD2-CD 3.7Å; L365-K376 WeakPolarHBondContact O-CB 3.26Å; L365-K376 PolarHBondContact O-N 3.14Å; E367-K376 HydrophobicContact CB-CD 4.42Å; E367-K376 IonicContact OE1-NZ 3.83Å; E374-K376 PolarHBondContact O-N 3.04Å; K376-Y415 WeakPolarHBondContact CG-OH 3.38Å; K376-Y415 PolarHBondContact O-OH 3.45Å
377	G	97.1	Very high	94.2	Very high	11 Å²	11	50.7 Å²	50.7	11%	0.113	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.3	175.8	179.1	0	0	0	0	0	113.7	L365 F375	L365-G377 PolarHBondContact N-O 3.2Å; L365-G377 PolarHBondContact O-N 3.46Å; F375-G377 WeakPolarHBondContact CE2-O 3.33Å
378	S	97.6	Very high	94.3	Very high	31 Å²	31	49.6 Å²	49.6	22%	0.217	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	133.2	178.4	69	0	0	0	0	112.7	R362 V363	R362-S378 PolarHBondContact NH1-OG 3.34Å; V363-S378 CarbonylContact O-C 3.59Å; V363-S378 WeakPolarHBondContact O-CA 3.45Å
379	L	98.4	Very high	94.6	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	120.6	171.4	-48.7	173.3	0	0	0	108.9	V363 L365 L398 W410 Y415	V363-L379 HydrophobicContact CB-CB 4.14Å; V363-L379 HydrophobicContact CB-CD1 4.18Å; V363-L379 HydrophobicContact CB-CG 4.46Å; V363-L379 HydrophobicContact CG1-CD1 4.05Å; V363-L379 PolarHBondContact N-O 2.83Å; V363-L379 PolarHBondContact O-N 2.8Å; L365-L379 HydrophobicContact CD1-CD1 4.25Å; L365-L379 HydrophobicContact CD1-CD2 4.21Å; L365-L379 HydrophobicContact CD1-CG 4.23Å; L365-L379 HydrophobicContact CG-CD1 4.43Å; L365-L379 HydrophobicContact CG-CG 4.45Å; L379-L398 HydrophobicContact CD1-CB 4.18Å; L379-L398 HydrophobicContact CD1-CD1 3.96Å; L379-L398 HydrophobicContact CD1-CD2 3.88Å; L379-L398 HydrophobicContact CD1-CG 4.24Å; L379-W410 HydrophobicContact CB-CD2 3.89Å; L379-W410 HydrophobicContact CB-CG 3.9Å; L379-W410 HydrophobicContact CB-CZ2 4.38Å; L379-W410 HydrophobicContact CD1-CB 3.98Å; L379-W410 HydrophobicContact CD1-CD2 4.11Å; L379-W410 HydrophobicContact CD1-CE3 4.21Å; L379-W410 HydrophobicContact CD1-CG 4.04Å; L379-W410 HydrophobicContact CD2-CB 3.89Å; L379-W410 HydrophobicContact CD2-CG 4.02Å; L379-W410 HydrophobicContact CG-CB 4.38Å; L379-W410 HydrophobicContact CG-CD2 4.48Å; L379-W410 HydrophobicContact CG-CG 4.21Å; L379-Y415 HydrophobicContact CD2-CD1 3.81Å; L379-Y415 HydrophobicContact CD2-CG 4.27Å
380	S	97.1	Very high	95.2	Very high	62 Å²	62	46 Å²	46	43%	0.434	26%	0.262	S	S	.	.			trans	-112.3	163.6	-174.6	-64.8	0	0	0	0	111.7	W410	S380-W410 PolarHBondContact O-NE1 3.32Å
381	G	96.6	Very high	96.1	Very high	37 Å²	37	44 Å²	44	38%	0.381	24%	0.237	S	C	.	.			trans	126.4	-10	173	0	0	0	0	0	115.1	R408	G381-R408 VanDerWaalsContact C-NE 3.34Å; G381-R408 PolarHBondContact O-NE 2.86Å; G381-R408 PolarHBondContact O-NH2 3.1Å
382	S	98	Very high	97	Very high	9 Å²	9	39.4 Å²	39.4	6%	0.063	22%	0.216	C	C	.	.			trans	-79.2	138.5	171.2	-60.9	0	0	0	0	111.4	R361 I386 R408	R361-S382 WeakPolarHBondContact CB-O 3.49Å; R361-S382 WeakPolarHBondContact O-CB 3.36Å; S382-I386 WeakPolarHBondContact OG-CD1 3.44Å; S382-R408 PolarHBondContact OG-NH1 2.76Å
383	N	97.8	Very high	97.3	Very high	122 Å²	122	37.2 Å²	37.2	65%	0.652	22%	0.217	S	C	*	.	S	Bend	trans	-96	-10.2	-176.5	-64.3	-31.4	0	0	0	113	R361 D404	R361-N383 VanDerWaalsContact CD-C 3.43Å; R361-N383 WeakPolarHBondContact CD-O 3.35Å; N383-D404 HydrophobicContact CB-CB 3.96Å; N383-D404 WeakPolarHBondContact CB-OD2 3.36Å; N383-D404 PolarHBondContact N-OD2 3.38Å
384	A	98.4	Very high	97.3	Very high	28 Å²	28	39.9 Å²	39.9	23%	0.231	24%	0.24	C	C	.	.	S	Bend	trans	-143.2	171.6	172.9	0	0	0	0	0	110.7	S402 N403 D404	A384-S402 PolarHBondContact O-OG 3.43Å; A384-N403 HydrophobicContact CB-CB 3.67Å; A384-D404 HydrophobicContact CB-CB 3.86Å
385	G	98.1	Very high	97.4	Very high	3 Å²	3	35.5 Å²	35.5	3%	0.031	22%	0.224	C	C	.	.			trans	-55	141.5	-173.5	0	0	0	0	0	114	G358 S402 N403	G358-G385 WeakPolarHBondContact O-CA 3.44Å; G385-S402 PolarHBondContact O-OG 2.96Å; G385-N403 PolarHBondContact O-N 2.96Å; G385-N403 PolarHBondContact O-ND2 3.21Å
386	I	98.8	Very high	97.3	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	145.7	175.5	-54.4	-56.4	0	0	0	109.6	N343 A344 G358 R362 V363 S382 I389 A400 A401	N343-I386 WeakPolarHBondContact CB-O 3.5Å; N343-I386 PolarHBondContact ND2-O 3.43Å; A344-I386 HydrophobicContact CB-CG2 4.49Å; G358-I386 PolarHBondContact O-N 3.2Å; R362-I386 WeakPolarHBondContact O-CG1 3.47Å; V363-I386 HydrophobicContact CG2-CD1 4.08Å; V363-I386 HydrophobicContact CG2-CG1 3.91Å; V363-I386 HydrophobicContact CG2-CG2 4.15Å; S382-I386 WeakPolarHBondContact OG-CD1 3.44Å; I386-I389 HydrophobicContact CG2-CD1 4.42Å; I386-I389 HydrophobicContact CG2-CG1 4Å; I386-A400 HydrophobicContact CD1-CB 4.48Å; I386-A400 HydrophobicContact CG2-CB 4.01Å; I386-A401 WeakPolarHBondContact CA-O 3.28Å
387	T	98.8	Very high	97.4	Very high	9 Å²	9	33.9 Å²	33.9	6%	0.055	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	-28.6	-174.3	52.5	0	0	0	0	114.1	A401 N403 V428 L429 R556	T387-A401 PolarHBondContact N-O 2.84Å; T387-A401 VanDerWaalsContact OG1-CB 3.27Å; T387-A401 WeakPolarHBondContact OG1-CB 3.18Å; T387-A401 PolarHBondContact OG1-O 3.13Å; T387-N403 VanDerWaalsContact CG2-ND2 3.26Å; T387-N403 WeakPolarHBondContact CG2-ND2 3.41Å; T387-V428 WeakPolarHBondContact CB-O 3.31Å; T387-V428 WeakPolarHBondContact CG2-O 3.3Å; T387-V428 PolarHBondContact OG1-O 3.27Å; T387-L429 HydrophobicContact CG2-CD2 4.29Å; T387-R556 PolarHBondContact O-NH2 3Å
388	S	98.8	Very high	97.4	Very high	6 Å²	6	33.3 Å²	33.3	4%	0.042	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	157.2	168.3	78.2	0	0	0	0	110	A400 A401 S430 A431	S388-A400 VanDerWaalsContact O-CA 3.22Å; S388-A400 WeakPolarHBondContact O-CA 3.34Å; S388-A400 WeakPolarHBondContact O-CB 3.25Å; S388-A401 PolarHBondContact O-N 2.78Å; S388-A401 WeakPolarHBondContact OG-CB 3.24Å; S388-S430 WeakPolarHBondContact OG-CA 3.44Å; S388-A431 PolarHBondContact OG-N 2.85Å; S388-A431 VanDerWaalsContact OG-N 3.11Å
389	I	98.8	Very high	97.5	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	146.2	170.4	-70.4	168	0	0	0	107.2	A344 Q346 A355 T356 G357 V363 I386 L398 L399 A400	A344-I389 HydrophobicContact CB-CB 4.32Å; A344-I389 HydrophobicContact CB-CD1 4.03Å; A344-I389 HydrophobicContact CB-CG1 3.95Å; Q346-I389 HydrophobicContact CB-CB 4.34Å; Q346-I389 HydrophobicContact CB-CG2 3.85Å; Q346-I389 PolarHBondContact OE1-O 2.94Å; A355-I389 HydrophobicContact CB-CD1 4.25Å; A355-I389 HydrophobicContact CB-CG2 3.95Å; T356-I389 VanDerWaalsContact C-CD1 3.43Å; G357-I389 VanDerWaalsContact N-CD1 3.33Å; V363-I389 HydrophobicContact CB-CD1 4.47Å; V363-I389 HydrophobicContact CG1-CD1 3.76Å; V363-I389 HydrophobicContact CG1-CG1 4.45Å; V363-I389 HydrophobicContact CG2-CD1 4.03Å; V363-I389 HydrophobicContact CG2-CG1 4.15Å; I386-I389 HydrophobicContact CG2-CD1 4.42Å; I386-I389 HydrophobicContact CG2-CG1 4Å; I389-L398 HydrophobicContact CG2-CD1 3.87Å; I389-L398 HydrophobicContact CG2-CD2 4.09Å; I389-L398 HydrophobicContact CG2-CG 3.93Å; I389-L399 CarbonylContact C-O 3.55Å; I389-L399 WeakPolarHBondContact CA-O 3.22Å; I389-A400 HydrophobicContact CG1-CB 4.21Å
390	E	98.4	Very high	97.5	Very high	38 Å²	38	31.8 Å²	31.8	18%	0.178	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	142.1	164.1	-167.7	-179.9	-139.4	0	0	109.6	L398 L399 K432 F433	E390-L398 WeakPolarHBondContact O-CA 3.38Å; E390-L399 PolarHBondContact N-O 2.82Å; E390-L399 PolarHBondContact O-N 2.92Å; E390-K432 HydrophobicContact CB-CD 4.39Å; E390-K432 VanDerWaalsContact CD-CD 3.43Å; E390-K432 HydrophobicContact CG-CD 4.33Å; E390-K432 WeakPolarHBondContact OE1-CD 3.28Å; E390-K432 WeakPolarHBondContact OE2-CA 3.42Å; E390-K432 WeakPolarHBondContact OE2-CD 3.27Å; E390-F433 HydrophobicContact CG-CD2 4.41Å; E390-F433 PolarHBondContact OE2-N 3.42Å
391	F	98.3	Very high	97.6	Very high	15 Å²	15	28.9 Å²	28.9	7%	0.066	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	144.2	166.3	-75.6	-89.8	0	0	0	109.6	Q346 F347 P349 L353 A355 L365 Y397 L398 V412	Q346-F391 HydrophobicContact CB-CD2 4.37Å; Q346-F391 HydrophobicContact CG-CD2 4.18Å; F347-F391 WeakPolarHBondContact O-CD2 3.31Å; P349-F391 HydrophobicContact CG-CB 4.49Å; L353-F391 HydrophobicContact CB-CZ 4.49Å; A355-F391 HydrophobicContact CB-CE2 3.64Å; A355-F391 HydrophobicContact CB-CZ 3.78Å; L365-F391 HydrophobicContact CD2-CZ 4.1Å; F391-Y397 WeakPolarHBondContact CA-O 3.42Å; F391-L398 HydrophobicContact CD1-CB 4.43Å; F391-L398 HydrophobicContact CE1-CB 4.46Å; F391-L398 HydrophobicContact CE1-CD1 4.02Å; F391-L398 HydrophobicContact CE2-CD1 4.24Å; F391-L398 HydrophobicContact CZ-CD1 3.87Å; F391-V412 HydrophobicContact CD1-CG2 4.02Å; F391-V412 HydrophobicContact CE1-CG1 4.22Å; F391-V412 HydrophobicContact CE1-CG2 3.77Å
392	D	96.4	Very high	97.7	Very high	11 Å²	11	27.1 Å²	27.1	6%	0.059	17%	0.167	C	C	.	.			trans	-64.6	166.7	167.9	89.5	-73.6	0	0	0	111.2	P349 A394 G395 S396 Y397 F433	P349-D392 WeakPolarHBondContact CG-O 3.44Å; D392-A394 PolarHBondContact O-N 3.27Å; D392-A394 VanDerWaalsContact O-N 3.14Å; D392-A394 WeakPolarHBondContact OD2-CB 3.49Å; D392-A394 PolarHBondContact OD2-N 2.91Å; D392-G395 PolarHBondContact O-N 3.33Å; D392-G395 PolarHBondContact OD1-N 2.92Å; D392-G395 VanDerWaalsContact OD1-N 3.11Å; D392-S396 PolarHBondContact OD1-N 3.29Å; D392-Y397 PolarHBondContact N-O 2.84Å; D392-Y397 PolarHBondContact OD1-N 2.91Å; D392-F433 HydrophobicContact CB-CD1 4.4Å; D392-F433 HydrophobicContact CB-CD2 4.29Å; D392-F433 HydrophobicContact CB-CE1 4.07Å; D392-F433 HydrophobicContact CB-CE2 3.92Å; D392-F433 HydrophobicContact CB-CZ 3.82Å
393	S	93.4	Very high	97.7	Very high	85 Å²	85	27.6 Å²	27.6	59%	0.594	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-28.5	-178.4	62.1	0	0	0	0	115	N437	S393-N437 PolarHBondContact OG-ND2 3.43Å; S393-N437 PolarHBondContact OG-OD1 2.97Å
394	A	94.3	Very high	97.8	Very high	70 Å²	70	23.3 Å²	23.3	58%	0.579	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-9	175.5	0	0	0	0	0	113.5	D392 S396	D392-A394 PolarHBondContact O-N 3.27Å; D392-A394 VanDerWaalsContact O-N 3.14Å; D392-A394 WeakPolarHBondContact OD2-CB 3.49Å; D392-A394 PolarHBondContact OD2-N 2.91Å; A394-S396 PolarHBondContact O-N 3.4Å
395	G	95.9	Very high	97.8	Very high	17 Å²	17	26.3 Å²	26.3	18%	0.175	15%	0.154	C	C	.	.	S	Bend	trans	66.7	13.6	-174.7	0	0	0	0	0	114.6	D392	D392-G395 PolarHBondContact O-N 3.33Å; D392-G395 PolarHBondContact OD1-N 2.92Å; D392-G395 VanDerWaalsContact OD1-N 3.11Å
396	S	96.3	Very high	97.8	Very high	51 Å²	51	26.3 Å²	26.3	36%	0.357	15%	0.154	S	C	.	.	S	Bend	trans	-84.6	-26.3	-179.3	-62.5	0	0	0	0	112.4	D392 A394 T411 V412	D392-S396 PolarHBondContact OD1-N 3.29Å; A394-S396 PolarHBondContact O-N 3.4Å; S396-T411 WeakPolarHBondContact O-CA 3.33Å; S396-V412 PolarHBondContact O-N 3.23Å
397	Y	97.6	Very high	97.8	Very high	100 Å²	100	26.3 Å²	26.3	39%	0.392	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	144.7	178.1	-63.6	-85.3	0	0	0	111.2	F391 D392 I409 W410 T411 R418	F391-Y397 WeakPolarHBondContact CA-O 3.42Å; D392-Y397 PolarHBondContact N-O 2.84Å; D392-Y397 PolarHBondContact OD1-N 2.91Å; Y397-I409 HydrophobicContact CD1-CG2 3.83Å; Y397-I409 HydrophobicContact CG-CG2 4.38Å; Y397-W410 VanDerWaalsContact CA-O 3.31Å; Y397-W410 WeakPolarHBondContact CA-O 3.47Å; Y397-T411 HydrophobicContact CD1-CG2 3.77Å; Y397-T411 HydrophobicContact CE1-CG2 3.41Å; Y397-T411 VanDerWaalsContact CE1-CG2 3.41Å; Y397-R418 HydrophobicContact CE1-CG 4.36Å
398	L	98.6	Very high	97.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.8	170	-175	153.6	0	0	0	108.9	A355 V363 L365 L379 I389 E390 F391 A400 I409 W410 V412	A355-L398 HydrophobicContact CB-CD1 3.57Å; V363-L398 HydrophobicContact CG1-CD1 3.89Å; V363-L398 HydrophobicContact CG1-CD2 4.08Å; V363-L398 HydrophobicContact CG2-CD2 4.27Å; L365-L398 HydrophobicContact CD2-CD1 3.9Å; L379-L398 HydrophobicContact CD1-CB 4.18Å; L379-L398 HydrophobicContact CD1-CD1 3.96Å; L379-L398 HydrophobicContact CD1-CD2 3.88Å; L379-L398 HydrophobicContact CD1-CG 4.24Å; I389-L398 HydrophobicContact CG2-CD1 3.87Å; I389-L398 HydrophobicContact CG2-CD2 4.09Å; I389-L398 HydrophobicContact CG2-CG 3.93Å; E390-L398 WeakPolarHBondContact O-CA 3.38Å; F391-L398 HydrophobicContact CD1-CB 4.43Å; F391-L398 HydrophobicContact CE1-CB 4.46Å; F391-L398 HydrophobicContact CE1-CD1 4.02Å; F391-L398 HydrophobicContact CE2-CD1 4.24Å; F391-L398 HydrophobicContact CZ-CD1 3.87Å; L398-A400 HydrophobicContact CD2-CB 4.13Å; L398-I409 VanDerWaalsContact O-CA 3.29Å; L398-I409 WeakPolarHBondContact O-CA 3.32Å; L398-W410 HydrophobicContact CD2-CE3 4.03Å; L398-W410 HydrophobicContact CD2-CZ3 4.17Å; L398-W410 PolarHBondContact N-O 3.17Å; L398-W410 PolarHBondContact O-N 3.31Å; L398-V412 HydrophobicContact CB-CG2 3.99Å
399	L	98.8	Very high	97.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	136.5	170.3	172.2	68.2	0	0	0	109.1	I389 E390 R408 I409 A431 F433 I440	I389-L399 CarbonylContact C-O 3.55Å; I389-L399 WeakPolarHBondContact CA-O 3.22Å; E390-L399 PolarHBondContact N-O 2.82Å; E390-L399 PolarHBondContact O-N 2.92Å; L399-R408 CarbonylContact C-O 3.59Å; L399-R408 WeakPolarHBondContact CA-O 3.38Å; L399-I409 HydrophobicContact CB-CG1 4.37Å; L399-I409 HydrophobicContact CD1-CD1 4.21Å; L399-I409 HydrophobicContact CD1-CG1 3.66Å; L399-A431 HydrophobicContact CD1-CB 4.17Å; L399-A431 HydrophobicContact CD2-CB 3.85Å; L399-A431 HydrophobicContact CG-CB 4.08Å; L399-F433 HydrophobicContact CB-CD2 4.13Å; L399-F433 HydrophobicContact CB-CE2 3.43Å; L399-F433 VanDerWaalsContact CB-CE2 3.43Å; L399-F433 HydrophobicContact CB-CZ 3.91Å; L399-F433 HydrophobicContact CD2-CD2 4.09Å; L399-F433 HydrophobicContact CD2-CE2 4.19Å; L399-F433 HydrophobicContact CG-CE2 4.46Å; L399-I440 HydrophobicContact CD1-CG2 4.28Å; L399-I440 HydrophobicContact CD2-CD1 3.92Å; L399-I440 HydrophobicContact CD2-CG2 3.91Å
400	A	98.8	Very high	97.8	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	137.6	168.2	0	0	0	0	0	112.2	V363 I386 S388 I389 L398 S407 R408 W410	V363-A400 HydrophobicContact CG2-CB 3.84Å; I386-A400 HydrophobicContact CD1-CB 4.48Å; I386-A400 HydrophobicContact CG2-CB 4.01Å; S388-A400 VanDerWaalsContact O-CA 3.22Å; S388-A400 WeakPolarHBondContact O-CA 3.34Å; S388-A400 WeakPolarHBondContact O-CB 3.25Å; I389-A400 HydrophobicContact CG1-CB 4.21Å; L398-A400 HydrophobicContact CD2-CB 4.13Å; A400-S407 CarbonylContact O-C 3.53Å; A400-S407 VanDerWaalsContact O-CA 3.3Å; A400-S407 WeakPolarHBondContact O-CA 3.2Å; A400-R408 PolarHBondContact N-O 2.84Å; A400-R408 PolarHBondContact O-N 2.98Å; A400-W410 HydrophobicContact CB-CH2 4.12Å; A400-W410 HydrophobicContact CB-CZ3 3.65Å
401	A	98.9	Very high	97.8	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	151.9	169.2	0	0	0	0	0	110.5	I386 T387 S388 V428 A431	I386-A401 WeakPolarHBondContact CA-O 3.28Å; T387-A401 PolarHBondContact N-O 2.84Å; T387-A401 VanDerWaalsContact OG1-CB 3.27Å; T387-A401 WeakPolarHBondContact OG1-CB 3.18Å; T387-A401 PolarHBondContact OG1-O 3.13Å; S388-A401 PolarHBondContact O-N 2.78Å; S388-A401 WeakPolarHBondContact OG-CB 3.24Å; A401-V428 HydrophobicContact CB-CB 4.05Å; A401-V428 HydrophobicContact CB-CG1 3.73Å; A401-A431 HydrophobicContact CB-CB 4.03Å
402	S	98.8	Very high	97.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	152.5	-179.3	176.8	0	0	0	0	113.1	A384 G385 D404 F405 A406 V428	A384-S402 PolarHBondContact O-OG 3.43Å; G385-S402 PolarHBondContact O-OG 2.96Å; S402-D404 VanDerWaalsContact CB-OD1 3.24Å; S402-D404 WeakPolarHBondContact CB-OD1 3.45Å; S402-D404 PolarHBondContact O-N 2.96Å; S402-D404 VanDerWaalsContact O-N 3.13Å; S402-D404 PolarHBondContact OG-N 2.78Å; S402-D404 PolarHBondContact OG-OD1 2.94Å; S402-F405 PolarHBondContact O-N 3.23Å; S402-A406 PolarHBondContact N-O 3.5Å; S402-A406 VanDerWaalsContact N-O 3.12Å; S402-V428 CarbonylContact C-O 3.58Å; S402-V428 PolarHBondContact O-N 3.35Å; S402-V428 VanDerWaalsContact O-N 3.12Å
403	N	98.8	Very high	97.7	Very high	20 Å²	20	29.9 Å²	29.9	11%	0.107	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-9.8	168.6	-77.3	-72.3	0	0	0	113.8	A384 G385 T387 F405 K427	A384-N403 HydrophobicContact CB-CB 3.67Å; G385-N403 PolarHBondContact O-N 2.96Å; G385-N403 PolarHBondContact O-ND2 3.21Å; T387-N403 VanDerWaalsContact CG2-ND2 3.26Å; T387-N403 WeakPolarHBondContact CG2-ND2 3.41Å; N403-F405 VanDerWaalsContact C-N 3.25Å; N403-F405 VanDerWaalsContact O-CD1 3.25Å; N403-F405 WeakPolarHBondContact O-CD1 3.27Å; N403-F405 WeakPolarHBondContact O-CE1 3.46Å; N403-F405 PolarHBondContact O-N 2.6Å; N403-K427 HydrophobicContact CB-CG 4.23Å; N403-K427 WeakPolarHBondContact OD1-CD 3.38Å; N403-K427 VanDerWaalsContact OD1-CE 3.23Å; N403-K427 WeakPolarHBondContact OD1-CE 3.39Å; N403-K427 WeakPolarHBondContact OD1-CG 3.16Å; N403-K427 PolarHBondContact OD1-NZ 3.35Å
404	D	98.6	Very high	97.8	Very high	32 Å²	32	28.9 Å²	28.9	17%	0.171	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	15.1	178.9	76.5	-5.6	0	0	0	114.7	N383 A384 S402 A406 R408	N383-D404 HydrophobicContact CB-CB 3.96Å; N383-D404 WeakPolarHBondContact CB-OD2 3.36Å; N383-D404 PolarHBondContact N-OD2 3.38Å; A384-D404 HydrophobicContact CB-CB 3.86Å; S402-D404 VanDerWaalsContact CB-OD1 3.24Å; S402-D404 WeakPolarHBondContact CB-OD1 3.45Å; S402-D404 PolarHBondContact O-N 2.96Å; S402-D404 VanDerWaalsContact O-N 3.13Å; S402-D404 PolarHBondContact OG-N 2.78Å; S402-D404 PolarHBondContact OG-OD1 2.94Å; D404-A406 PolarHBondContact O-N 2.75Å; D404-A406 PolarHBondContact OD1-N 3.39Å; D404-R408 VanDerWaalsContact CG-NH1 3.34Å; D404-R408 IonicContact OD1-CZ 3.58Å; D404-R408 IonicContact OD1-NH1 3.75Å; D404-R408 PolarHBondContact OD1-NH1 2.98Å; D404-R408 IonicContact OD1-NH2 3.86Å; D404-R408 IonicContact OD2-CZ 3.74Å; D404-R408 IonicContact OD2-NH1 2.68Å; D404-R408 PolarHBondContact OD2-NH1 2.87Å; D404-R408 IonicContact OD2-NH2 3.21Å; D404-R408 PolarHBondContact OD2-NH2 3.28Å
405	F	98.7	Very high	98	Very high	91 Å²	91	28.9 Å²	28.9	40%	0.399	15%	0.147	S	C	.	.	S	Bend	trans	71.9	11.3	175.3	-40.1	-15.2	0	0	0	113.7	S402 N403 H424 G426 K427	S402-F405 PolarHBondContact O-N 3.23Å; N403-F405 VanDerWaalsContact C-N 3.25Å; N403-F405 VanDerWaalsContact O-CD1 3.25Å; N403-F405 WeakPolarHBondContact O-CD1 3.27Å; N403-F405 WeakPolarHBondContact O-CE1 3.46Å; N403-F405 PolarHBondContact O-N 2.6Å; F405-H424 HydrophobicContact CB-CB 4.48Å; F405-G426 WeakPolarHBondContact CA-O 3.2Å; F405-G426 WeakPolarHBondContact CB-O 3.34Å; F405-G426 VanDerWaalsContact CD1-O 3.25Å; F405-G426 WeakPolarHBondContact CD1-O 3.17Å; F405-G426 WeakPolarHBondContact CG-O 3.38Å; F405-K427 VanDerWaalsContact CD1-N 3.3Å; F405-K427 HydrophobicContact CE1-CG 4.23Å
406	A	98.6	Very high	98	Very high	3 Å²	3	35.7 Å²	35.7	3%	0.025	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	156.6	172.1	0	0	0	0	0	112.5	S402 D404 T420 L421 T422	S402-A406 PolarHBondContact N-O 3.5Å; S402-A406 VanDerWaalsContact N-O 3.12Å; D404-A406 PolarHBondContact O-N 2.75Å; D404-A406 PolarHBondContact OD1-N 3.39Å; A406-T420 HydrophobicContact CB-CG2 3.99Å; A406-L421 VanDerWaalsContact CA-O 3.29Å; A406-L421 WeakPolarHBondContact CA-O 3.43Å; A406-T422 HydrophobicContact CB-CG2 4.12Å
407	S	98.7	Very high	98.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	151.5	159	-54.9	0	0	0	0	109.1	A400 L421	A400-S407 CarbonylContact O-C 3.53Å; A400-S407 VanDerWaalsContact O-CA 3.3Å; A400-S407 WeakPolarHBondContact O-CA 3.2Å; S407-L421 PolarHBondContact N-O 3.46Å; S407-L421 WeakPolarHBondContact O-CB 3.45Å; S407-L421 PolarHBondContact O-N 2.93Å
408	R	98.7	Very high	98.1	Very high	11 Å²	11	37.2 Å²	37.2	4%	0.042	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	149.1	-178.1	-77.1	174.7	-172.5	77.6	-6.2	111.3	G381 S382 L399 A400 D404 W410 L417 H419 T420	G381-R408 VanDerWaalsContact C-NE 3.34Å; G381-R408 PolarHBondContact O-NE 2.86Å; G381-R408 PolarHBondContact O-NH2 3.1Å; S382-R408 PolarHBondContact OG-NH1 2.76Å; L399-R408 CarbonylContact C-O 3.59Å; L399-R408 WeakPolarHBondContact CA-O 3.38Å; A400-R408 PolarHBondContact N-O 2.84Å; A400-R408 PolarHBondContact O-N 2.98Å; D404-R408 VanDerWaalsContact CG-NH1 3.34Å; D404-R408 IonicContact OD1-CZ 3.58Å; D404-R408 IonicContact OD1-NH1 3.75Å; D404-R408 PolarHBondContact OD1-NH1 2.98Å; D404-R408 IonicContact OD1-NH2 3.86Å; D404-R408 IonicContact OD2-CZ 3.74Å; D404-R408 IonicContact OD2-NH1 2.68Å; D404-R408 PolarHBondContact OD2-NH1 2.87Å; D404-R408 IonicContact OD2-NH2 3.21Å; D404-R408 PolarHBondContact OD2-NH2 3.28Å; R408-W410 HydrophobicContact CB-CE3 4.15Å; R408-W410 HydrophobicContact CB-CH2 3.26Å; R408-W410 HydrophobicContact CB-CZ2 3.68Å; R408-W410 HydrophobicContact CB-CZ3 3.5Å; R408-W410 HydrophobicContact CG-CH2 4.25Å; R408-W410 HydrophobicContact CG-CZ2 4.37Å; R408-W410 WeakPolarHBondContact O-CZ3 3.36Å; R408-L417 HydrophobicContact CB-CD1 3.86Å; R408-L417 HydrophobicContact CG-CD1 3.93Å; R408-H419 VanDerWaalsContact CA-O 3.29Å; R408-H419 WeakPolarHBondContact CA-O 3.44Å; R408-T420 HydrophobicContact CG-CG2 3.94Å
409	I	98.6	Very high	98	Very high	1 Å²	1	39 Å²	39	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	129.6	177.2	-59.9	175.3	0	0	0	108.8	Y397 L398 L399 R418 H419 I440 L454	Y397-I409 HydrophobicContact CD1-CG2 3.83Å; Y397-I409 HydrophobicContact CG-CG2 4.38Å; L398-I409 VanDerWaalsContact O-CA 3.29Å; L398-I409 WeakPolarHBondContact O-CA 3.32Å; L399-I409 HydrophobicContact CB-CG1 4.37Å; L399-I409 HydrophobicContact CD1-CD1 4.21Å; L399-I409 HydrophobicContact CD1-CG1 3.66Å; I409-R418 PolarHBondContact O-N 3.33Å; I409-H419 HydrophobicContact CB-CB 4.23Å; I409-H419 PolarHBondContact N-O 3.43Å; I409-H419 PolarHBondContact O-N 2.99Å; I409-I440 HydrophobicContact CD1-CD1 4.29Å; I409-I440 HydrophobicContact CD1-CG1 4.18Å; I409-L454 HydrophobicContact CD1-CD1 3.65Å; I409-L454 HydrophobicContact CD1-CD2 3.43Å; I409-L454 VanDerWaalsContact CD1-CD2 3.43Å; I409-L454 HydrophobicContact CD1-CG 4.2Å
410	W	98.7	Very high	98	Very high	2 Å²	2	42 Å²	42	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	153.6	172.7	-56.9	-107.9	0	0	0	110	L379 S380 Y397 L398 A400 R408 R416 L417	L379-W410 HydrophobicContact CB-CD2 3.89Å; L379-W410 HydrophobicContact CB-CG 3.9Å; L379-W410 HydrophobicContact CB-CZ2 4.38Å; L379-W410 HydrophobicContact CD1-CB 3.98Å; L379-W410 HydrophobicContact CD1-CD2 4.11Å; L379-W410 HydrophobicContact CD1-CE3 4.21Å; L379-W410 HydrophobicContact CD1-CG 4.04Å; L379-W410 HydrophobicContact CD2-CB 3.89Å; L379-W410 HydrophobicContact CD2-CG 4.02Å; L379-W410 HydrophobicContact CG-CB 4.38Å; L379-W410 HydrophobicContact CG-CD2 4.48Å; L379-W410 HydrophobicContact CG-CG 4.21Å; S380-W410 PolarHBondContact O-NE1 3.32Å; Y397-W410 VanDerWaalsContact CA-O 3.31Å; Y397-W410 WeakPolarHBondContact CA-O 3.47Å; L398-W410 HydrophobicContact CD2-CE3 4.03Å; L398-W410 HydrophobicContact CD2-CZ3 4.17Å; L398-W410 PolarHBondContact N-O 3.17Å; L398-W410 PolarHBondContact O-N 3.31Å; A400-W410 HydrophobicContact CB-CH2 4.12Å; A400-W410 HydrophobicContact CB-CZ3 3.65Å; R408-W410 HydrophobicContact CB-CE3 4.15Å; R408-W410 HydrophobicContact CB-CH2 3.26Å; R408-W410 HydrophobicContact CB-CZ2 3.68Å; R408-W410 HydrophobicContact CB-CZ3 3.5Å; R408-W410 HydrophobicContact CG-CH2 4.25Å; R408-W410 HydrophobicContact CG-CZ2 4.37Å; R408-W410 WeakPolarHBondContact O-CZ3 3.36Å; W410-R416 CarbonylContact C-O 3.52Å; W410-R416 WeakPolarHBondContact CA-O 3.3Å; W410-R416 WeakPolarHBondContact CB-O 3.49Å; W410-L417 VanDerWaalsContact CD1-CA 3.41Å; W410-L417 HydrophobicContact CD2-CD1 4.16Å; W410-L417 HydrophobicContact CG-CD1 4.36Å; W410-L417 HydrophobicContact CZ2-CD1 4.21Å
411	T	98	Very high	97.9	Very high	17 Å²	17	42.3 Å²	42.3	10%	0.104	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	137.9	160	32	0	0	0	0	109.7	S396 Y397 D414 Y415 R416 R418	S396-T411 WeakPolarHBondContact O-CA 3.33Å; Y397-T411 HydrophobicContact CD1-CG2 3.77Å; Y397-T411 HydrophobicContact CE1-CG2 3.41Å; Y397-T411 VanDerWaalsContact CE1-CG2 3.41Å; T411-D414 WeakPolarHBondContact CB-OD1 3.23Å; T411-D414 PolarHBondContact OG1-OD1 3.15Å; T411-Y415 WeakPolarHBondContact O-CA 3.36Å; T411-Y415 PolarHBondContact O-N 3.13Å; T411-R416 PolarHBondContact N-O 3.43Å; T411-R416 PolarHBondContact OG1-O 3.12Å; T411-R418 HydrophobicContact CG2-CG 4.12Å; T411-R418 VanDerWaalsContact OG1-CZ 3.24Å; T411-R418 PolarHBondContact OG1-NE 3.48Å; T411-R418 PolarHBondContact OG1-NH2 2.91Å
412	V	97.6	Very high	97.9	Very high	2 Å²	2	47 Å²	47	1%	0.012	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-39.3	-170	175.3	0	0	0	0	112.1	L353 L365 F391 S396 L398	L353-V412 HydrophobicContact CD1-CG1 3.44Å; L353-V412 VanDerWaalsContact CD1-CG1 3.44Å; L365-V412 HydrophobicContact CD1-CG1 4.09Å; F391-V412 HydrophobicContact CD1-CG2 4.02Å; F391-V412 HydrophobicContact CE1-CG1 4.22Å; F391-V412 HydrophobicContact CE1-CG2 3.77Å; S396-V412 PolarHBondContact O-N 3.23Å; L398-V412 HydrophobicContact CB-CG2 3.99Å
413	D	94.9	Very high	97.8	Very high	125 Å²	125	49.2 Å²	49.2	67%	0.668	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-31.3	-172.3	-66.9	-45	0	0	0	114.8
414	D	96.1	Very high	97.8	Very high	65 Å²	65	48.9 Å²	48.9	35%	0.348	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	4.6	-178.6	75.4	-7.3	0	0	0	113.7	T411 R416 R418	T411-D414 WeakPolarHBondContact CB-OD1 3.23Å; T411-D414 PolarHBondContact OG1-OD1 3.15Å; D414-R416 HydrophobicContact CB-CG 4.37Å; D414-R416 WeakPolarHBondContact O-CG 3.43Å; D414-R416 PolarHBondContact O-N 3.12Å; D414-R416 WeakPolarHBondContact OD1-CB 3.1Å; D414-R416 PolarHBondContact OD1-N 3.18Å; D414-R416 VanDerWaalsContact OD1-N 3.1Å; D414-R416 VanDerWaalsContact OD2-CD 3.27Å; D414-R416 WeakPolarHBondContact OD2-CD 3.26Å; D414-R416 WeakPolarHBondContact OD2-CG 3.4Å; D414-R416 IonicContact OD2-NE 2.66Å; D414-R418 IonicContact OD1-NH2 2.78Å; D414-R418 PolarHBondContact OD1-NH2 3.21Å; D414-R418 IonicContact OD2-CZ 3.89Å; D414-R418 IonicContact OD2-NH2 3.54Å; D414-R418 PolarHBondContact OD2-NH2 3.49Å
415	Y	97.6	Very high	97.8	Very high	69 Å²	69	52 Å²	52	27%	0.271	27%	0.272	S	S	.	.			trans	58.5	12.7	179.5	-49.4	-88.9	0	0	0	115.2	L365 K376 L379 T411	L365-Y415 HydrophobicContact CB-CE1 4.47Å; L365-Y415 HydrophobicContact CD1-CD1 4.02Å; L365-Y415 HydrophobicContact CD1-CE1 3.78Å; K376-Y415 WeakPolarHBondContact CG-OH 3.38Å; K376-Y415 PolarHBondContact O-OH 3.45Å; L379-Y415 HydrophobicContact CD2-CD1 3.81Å; L379-Y415 HydrophobicContact CD2-CG 4.27Å; T411-Y415 WeakPolarHBondContact O-CA 3.36Å; T411-Y415 PolarHBondContact O-N 3.13Å
416	R	97.4	Very high	97.8	Very high	161 Å²	161	48.1 Å²	48.1	61%	0.608	26%	0.257	S	S	*	.			trans	-81.7	130.3	-172.6	-67.9	-170.7	178.1	-174.1	-3.4	112.7	W410 T411 D414 R418	W410-R416 CarbonylContact C-O 3.52Å; W410-R416 WeakPolarHBondContact CA-O 3.3Å; W410-R416 WeakPolarHBondContact CB-O 3.49Å; T411-R416 PolarHBondContact N-O 3.43Å; T411-R416 PolarHBondContact OG1-O 3.12Å; D414-R416 HydrophobicContact CB-CG 4.37Å; D414-R416 WeakPolarHBondContact O-CG 3.43Å; D414-R416 PolarHBondContact O-N 3.12Å; D414-R416 WeakPolarHBondContact OD1-CB 3.1Å; D414-R416 PolarHBondContact OD1-N 3.18Å; D414-R416 VanDerWaalsContact OD1-N 3.1Å; D414-R416 VanDerWaalsContact OD2-CD 3.27Å; D414-R416 WeakPolarHBondContact OD2-CD 3.26Å; D414-R416 WeakPolarHBondContact OD2-CG 3.4Å; D414-R416 IonicContact OD2-NE 2.66Å; R416-R418 PolarHBondContact O-N 2.97Å
417	L	98.3	Very high	97.8	Very high	73 Å²	73	51.9 Å²	51.9	38%	0.382	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	127.9	167.2	-178.7	65.6	0	0	0	109.5	R408 W410 H419	R408-L417 HydrophobicContact CB-CD1 3.86Å; R408-L417 HydrophobicContact CG-CD1 3.93Å; W410-L417 VanDerWaalsContact CD1-CA 3.41Å; W410-L417 HydrophobicContact CD2-CD1 4.16Å; W410-L417 HydrophobicContact CG-CD1 4.36Å; W410-L417 HydrophobicContact CZ2-CD1 4.21Å; L417-H419 WeakPolarHBondContact CD1-O 3.33Å
418	R	96.9	Very high	97.8	Very high	110 Å²	110	51.9 Å²	51.9	42%	0.415	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-41	-179.2	-58.9	-59	-179.8	165.4	-1.9	112.5	Y397 I409 T411 D414 R416	Y397-R418 HydrophobicContact CE1-CG 4.36Å; I409-R418 PolarHBondContact O-N 3.33Å; T411-R418 HydrophobicContact CG2-CG 4.12Å; T411-R418 VanDerWaalsContact OG1-CZ 3.24Å; T411-R418 PolarHBondContact OG1-NE 3.48Å; T411-R418 PolarHBondContact OG1-NH2 2.91Å; D414-R418 IonicContact OD1-NH2 2.78Å; D414-R418 PolarHBondContact OD1-NH2 3.21Å; D414-R418 IonicContact OD2-CZ 3.89Å; D414-R418 IonicContact OD2-NH2 3.54Å; D414-R418 PolarHBondContact OD2-NH2 3.49Å; R416-R418 PolarHBondContact O-N 2.97Å
419	H	96.9	Very high	97.9	Very high	38 Å²	38	51.4 Å²	51.4	18%	0.176	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	141.4	-177.6	-55.8	-91.4	0	0	0	111.1	R408 I409 L417 L421 L454	R408-H419 VanDerWaalsContact CA-O 3.29Å; R408-H419 WeakPolarHBondContact CA-O 3.44Å; I409-H419 HydrophobicContact CB-CB 4.23Å; I409-H419 PolarHBondContact N-O 3.43Å; I409-H419 PolarHBondContact O-N 2.99Å; L417-H419 WeakPolarHBondContact CD1-O 3.33Å; H419-L421 HydrophobicContact CB-CD2 4.31Å; H419-L454 PolarHBondContact CE1-O 2.91Å
420	T	98.2	Very high	97.9	Very high	61 Å²	61	51.4 Å²	51.4	37%	0.374	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	110.4	165.2	-53.3	0	0	0	0	107.2	A406 R408 T422	A406-T420 HydrophobicContact CB-CG2 3.99Å; R408-T420 HydrophobicContact CG-CG2 3.94Å; T420-T422 HydrophobicContact CG2-CG2 3.95Å; T420-T422 PolarHBondContact O-N 3.33Å
421	L	98.1	Very high	97.9	Very high	7 Å²	7	51.3 Å²	51.3	4%	0.037	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	90.3	-176.9	-54.5	-180	0	0	0	108.7	A406 S407 H419 I440 W452 L454	A406-L421 VanDerWaalsContact CA-O 3.29Å; A406-L421 WeakPolarHBondContact CA-O 3.43Å; S407-L421 PolarHBondContact N-O 3.46Å; S407-L421 WeakPolarHBondContact O-CB 3.45Å; S407-L421 PolarHBondContact O-N 2.93Å; H419-L421 HydrophobicContact CB-CD2 4.31Å; L421-I440 HydrophobicContact CD1-CB 4.38Å; L421-I440 HydrophobicContact CD1-CG1 4.27Å; L421-I440 HydrophobicContact CD1-CG2 4.31Å; L421-W452 HydrophobicContact CB-CD2 3.96Å; L421-W452 HydrophobicContact CB-CE3 3.87Å; L421-W452 HydrophobicContact CB-CH2 4.13Å; L421-W452 HydrophobicContact CB-CZ2 4.2Å; L421-W452 HydrophobicContact CB-CZ3 3.96Å; L421-W452 HydrophobicContact CD1-CB 4.2Å; L421-W452 HydrophobicContact CD1-CD2 4.14Å; L421-W452 HydrophobicContact CD1-CG 3.92Å; L421-W452 HydrophobicContact CD2-CD2 4.39Å; L421-W452 HydrophobicContact CD2-CE3 4.12Å; L421-W452 HydrophobicContact CG-CD2 4.38Å; L421-W452 HydrophobicContact CG-CE3 4.42Å; L421-L454 HydrophobicContact CD1-CD2 4.41Å; L421-L454 HydrophobicContact CD2-CD2 4.36Å
422	T	97.9	Very high	97.9	Very high	99 Å²	99	51.7 Å²	51.7	61%	0.607	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	146.7	178.3	53.7	0	0	0	0	111.6	A406 T420 W452	A406-T422 HydrophobicContact CB-CG2 4.12Å; T420-T422 HydrophobicContact CG2-CG2 3.95Å; T420-T422 PolarHBondContact O-N 3.33Å; T422-W452 VanDerWaalsContact O-CH2 3.25Å; T422-W452 WeakPolarHBondContact O-CH2 3.29Å; T422-W452 VanDerWaalsContact O-CZ3 3.29Å; T422-W452 WeakPolarHBondContact O-CZ3 3.33Å
423	G	97.4	Very high	97.9	Very high	47 Å²	47	52.2 Å²	52.2	49%	0.485	27%	0.273	S	S	.	.			trans	142.2	-5.5	173.5	0	0	0	0	0	115.7	K450	G423-K450 VanDerWaalsContact C-CE 3.47Å; G423-K450 WeakPolarHBondContact O-CE 3.27Å; G423-K450 PolarHBondContact O-NZ 2.97Å
424	H	98.7	Very high	97.8	Very high	12 Å²	12	46.4 Å²	46.4	6%	0.056	24%	0.242	C	C	.	.			trans	-72.1	153.1	161	-82.9	-64.5	0	0	0	110.2	F405 V428 S442 S444 D446 T448	F405-H424 HydrophobicContact CB-CB 4.48Å; H424-V428 HydrophobicContact CB-CG2 4.17Å; H424-S442 PolarHBondContact CD2-OG 2.52Å; H424-S442 PolarHBondContact NE2-OG 3.24Å; H424-S444 WeakPolarHBondContact CE1-CB 3.36Å; H424-S444 WeakPolarHBondContact ND1-CB 3.41Å; H424-D446 WeakPolarHBondContact CA-OD2 3.4Å; H424-D446 WeakPolarHBondContact CB-OD2 3.44Å; H424-D446 IonicContact CE1-OD2 2.68Å; H424-D446 IonicContact CG-OD2 3.83Å; H424-D446 IonicContact ND1-OD1 3.89Å; H424-D446 PolarHBondContact ND1-OD1 3.19Å; H424-D446 IonicContact ND1-OD2 3.07Å; H424-D446 PolarHBondContact ND1-OD2 2.88Å; H424-T448 PolarHBondContact CE1-OG1 2.78Å; H424-T448 PolarHBondContact ND1-OG1 2.8Å
425	S	98.5	Very high	97.5	Very high	99 Å²	99	46.3 Å²	46.3	69%	0.692	24%	0.241	S	C	*	.	S	Bend	trans	-109.1	13.6	178	57.3	0	0	0	0	112.7	D446	S425-D446 PolarHBondContact N-OD2 2.69Å; S425-D446 WeakPolarHBondContact OG-CB 3.22Å
426	G	98.6	Very high	96.9	Very high	8 Å²	8	46.3 Å²	46.3	8%	0.082	25%	0.246	C	C	.	.	S	Bend	trans	-155.5	174.4	177.5	0	0	0	0	0	111.1	F405 V428 S444	F405-G426 WeakPolarHBondContact CA-O 3.2Å; F405-G426 WeakPolarHBondContact CB-O 3.34Å; F405-G426 VanDerWaalsContact CD1-O 3.25Å; F405-G426 WeakPolarHBondContact CD1-O 3.17Å; F405-G426 WeakPolarHBondContact CG-O 3.38Å; G426-V428 PolarHBondContact O-N 3Å; G426-S444 PolarHBondContact O-OG 3.2Å
427	K	98.8	Very high	96.2	Very high	83 Å²	83	41.7 Å²	41.7	36%	0.361	23%	0.233	S	C	.	.			trans	-52	124.6	-179.1	-65.1	171	162.5	-157.6	0	110.4	N403 F405 L429 S444 H445	N403-K427 HydrophobicContact CB-CG 4.23Å; N403-K427 WeakPolarHBondContact OD1-CD 3.38Å; N403-K427 VanDerWaalsContact OD1-CE 3.23Å; N403-K427 WeakPolarHBondContact OD1-CE 3.39Å; N403-K427 WeakPolarHBondContact OD1-CG 3.16Å; N403-K427 PolarHBondContact OD1-NZ 3.35Å; F405-K427 VanDerWaalsContact CD1-N 3.3Å; F405-K427 HydrophobicContact CE1-CG 4.23Å; K427-L429 HydrophobicContact CB-CD2 4.02Å; K427-L429 HydrophobicContact CB-CG 4.46Å; K427-L429 PolarHBondContact O-N 3.03Å; K427-S444 CarbonylContact O-C 3.59Å; K427-S444 VanDerWaalsContact O-CA 3.3Å; K427-S444 WeakPolarHBondContact O-CA 3.47Å; K427-S444 PolarHBondContact O-OG 3.23Å; K427-H445 HydrophobicContact CB-CB 4.11Å; K427-H445 PolarHBondContact O-N 3.36Å
428	V	98.9	Very high	95.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	124	168.2	-165.7	0	0	0	0	106.8	T387 A401 S402 H424 G426 G443	T387-V428 WeakPolarHBondContact CB-O 3.31Å; T387-V428 WeakPolarHBondContact CG2-O 3.3Å; T387-V428 PolarHBondContact OG1-O 3.27Å; A401-V428 HydrophobicContact CB-CB 4.05Å; A401-V428 HydrophobicContact CB-CG1 3.73Å; S402-V428 CarbonylContact C-O 3.58Å; S402-V428 PolarHBondContact O-N 3.35Å; S402-V428 VanDerWaalsContact O-N 3.12Å; H424-V428 HydrophobicContact CB-CG2 4.17Å; G426-V428 PolarHBondContact O-N 3Å; V428-G443 WeakPolarHBondContact CG1-O 3.48Å
429	L	98.8	Very high	95.7	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-19.1	-173.2	-61.2	174.1	0	0	0	112.3	T387 K427 G443 H445 C469 N470 W554 R556	T387-L429 HydrophobicContact CG2-CD2 4.29Å; K427-L429 HydrophobicContact CB-CD2 4.02Å; K427-L429 HydrophobicContact CB-CG 4.46Å; K427-L429 PolarHBondContact O-N 3.03Å; L429-G443 PolarHBondContact N-O 3.27Å; L429-H445 HydrophobicContact CD1-CB 4.14Å; L429-C469 WeakPolarHBondContact CB-O 3.47Å; L429-C469 VanDerWaalsContact CD1-O 3.31Å; L429-C469 WeakPolarHBondContact CD1-O 3.33Å; L429-N470 WeakPolarHBondContact CD1-OD1 3.25Å; L429-W554 HydrophobicContact CD2-CZ2 4.16Å; L429-R556 PolarHBondContact O-NH2 3.42Å
430	S	98.8	Very high	95.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	146.1	167.7	-165.1	0	0	0	0	110.5	S388 K432 S442 G443 D471	S388-S430 WeakPolarHBondContact OG-CA 3.44Å; S430-K432 PolarHBondContact OG-NZ 3.01Å; S430-S442 WeakPolarHBondContact O-CA 3.38Å; S430-G443 PolarHBondContact N-O 2.81Å; S430-G443 PolarHBondContact O-N 3.06Å; S430-D471 VanDerWaalsContact CB-OD1 3.26Å; S430-D471 WeakPolarHBondContact CB-OD1 3.29Å; S430-D471 PolarHBondContact OG-OD1 3.3Å
431	A	98.7	Very high	95.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	141.9	167.9	0	0	0	0	0	109.1	S388 L399 A401 I440 V441	S388-A431 PolarHBondContact OG-N 2.85Å; S388-A431 VanDerWaalsContact OG-N 3.11Å; L399-A431 HydrophobicContact CD1-CB 4.17Å; L399-A431 HydrophobicContact CD2-CB 3.85Å; L399-A431 HydrophobicContact CG-CB 4.08Å; A401-A431 HydrophobicContact CB-CB 4.03Å; A431-I440 HydrophobicContact CB-CG2 4.39Å; A431-V441 CarbonylContact C-O 3.51Å; A431-V441 VanDerWaalsContact CA-O 3.26Å; A431-V441 WeakPolarHBondContact CA-O 3.12Å
432	K	98.4	Very high	95.8	Very high	25 Å²	25	32.9 Å²	32.9	11%	0.109	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	142.9	-176.9	-66.2	-63.2	-168.2	-50.8	0	112.2	E390 S430 I440 V441 D471 I472	E390-K432 HydrophobicContact CB-CD 4.39Å; E390-K432 VanDerWaalsContact CD-CD 3.43Å; E390-K432 HydrophobicContact CG-CD 4.33Å; E390-K432 WeakPolarHBondContact OE1-CD 3.28Å; E390-K432 WeakPolarHBondContact OE2-CA 3.42Å; E390-K432 WeakPolarHBondContact OE2-CD 3.27Å; S430-K432 PolarHBondContact OG-NZ 3.01Å; K432-I440 CarbonylContact O-C 3.57Å; K432-I440 WeakPolarHBondContact O-CA 3.31Å; K432-I440 WeakPolarHBondContact O-CG2 3.32Å; K432-V441 PolarHBondContact N-O 3.32Å; K432-V441 PolarHBondContact O-N 2.71Å; K432-D471 IonicContact NZ-OD1 3.32Å; K432-D471 PolarHBondContact NZ-OD1 3.14Å; K432-I472 HydrophobicContact CB-CG2 4.46Å; K432-I472 VanDerWaalsContact CE-O 3.31Å; K432-I472 WeakPolarHBondContact CE-O 3.26Å; K432-I472 HydrophobicContact CG-CB 4.3Å; K432-I472 HydrophobicContact CG-CG2 4.24Å; K432-I472 WeakPolarHBondContact CG-O 3.41Å; K432-I472 PolarHBondContact NZ-O 2.87Å
433	F	97.3	Very high	95.8	Very high	13 Å²	13	28.1 Å²	28.1	6%	0.057	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	145.2	164.2	-70.6	-87.8	0	0	0	110.5	E390 D392 L399 I440 L454	E390-F433 HydrophobicContact CG-CD2 4.41Å; E390-F433 PolarHBondContact OE2-N 3.42Å; D392-F433 HydrophobicContact CB-CD1 4.4Å; D392-F433 HydrophobicContact CB-CD2 4.29Å; D392-F433 HydrophobicContact CB-CE1 4.07Å; D392-F433 HydrophobicContact CB-CE2 3.92Å; D392-F433 HydrophobicContact CB-CZ 3.82Å; L399-F433 HydrophobicContact CB-CD2 4.13Å; L399-F433 HydrophobicContact CB-CE2 3.43Å; L399-F433 VanDerWaalsContact CB-CE2 3.43Å; L399-F433 HydrophobicContact CB-CZ 3.91Å; L399-F433 HydrophobicContact CD2-CD2 4.09Å; L399-F433 HydrophobicContact CD2-CE2 4.19Å; L399-F433 HydrophobicContact CG-CE2 4.46Å; F433-I440 HydrophobicContact CB-CD1 4.21Å; F433-I440 HydrophobicContact CD1-CD1 3.23Å; F433-I440 HydrophobicContact CD2-CD1 4.34Å; F433-I440 HydrophobicContact CE1-CD1 3.57Å; F433-I440 HydrophobicContact CG-CD1 3.66Å; F433-I440 HydrophobicContact CZ-CD1 4.26Å; F433-L454 HydrophobicContact CE1-CD1 4.14Å
434	L	94.2	Very high	95.9	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.016	14%	0.142	C	C	.	.			trans	-81.2	158.5	157.2	-77.8	75.7	0	0	0	108.9	D436 N437 R439 V441 L451 I493	L434-D436 PolarHBondContact O-N 3.34Å; L434-N437 PolarHBondContact O-N 3.06Å; L434-R439 HydrophobicContact CB-CB 4.33Å; L434-R439 HydrophobicContact CD1-CB 3.95Å; L434-R439 HydrophobicContact CD2-CB 4.16Å; L434-R439 HydrophobicContact CG-CB 4.39Å; L434-R439 PolarHBondContact N-O 2.82Å; L434-V441 HydrophobicContact CD1-CG2 3.55Å; L434-L451 HydrophobicContact CD1-CD1 3.9Å; L434-L451 HydrophobicContact CD2-CD1 4.15Å; L434-I493 HydrophobicContact CD2-CD1 4.21Å; L434-I493 HydrophobicContact CD2-CG2 4.21Å
435	L	89.3	Confident	95.9	Very high	64 Å²	64	30 Å²	30	34%	0.335	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-9.7	-177.5	-79.1	69.1	0	0	0	113.7	N437 C474 E476	L435-N437 VanDerWaalsContact C-N 3.27Å; L435-C474 HydrophobicContact CD1-CB 4.42Å; L435-E476 HydrophobicContact CB-CG 4.43Å; L435-E476 HydrophobicContact CD2-CG 3.52Å
436	D	85.9	Confident	95.9	Very high	69 Å²	69	26.6 Å²	26.6	37%	0.369	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-8.8	169.3	59.6	41.1	0	0	0	114	L434 A438 R439	L434-D436 PolarHBondContact O-N 3.34Å; D436-A438 PolarHBondContact O-N 3.4Å; D436-A438 PolarHBondContact OD1-N 3.27Å; D436-R439 PolarHBondContact OD1-N 2.86Å; D436-R439 IonicContact OD2-CZ 2.69Å; D436-R439 IonicContact OD2-NE 2.93Å; D436-R439 PolarHBondContact OD2-NE 3.38Å; D436-R439 IonicContact OD2-NH2 3.9Å; D436-R439 PolarHBondContact OD2-NH2 3.35Å
437	N	81.9	Confident	95.9	Very high	63 Å²	63	32 Å²	32	34%	0.337	15%	0.153	S	C	.	.	S	Bend	trans	52.2	7	-172.6	-61.4	-61.4	0	0	0	115.3	S393 L434 L435	S393-N437 PolarHBondContact OG-ND2 3.43Å; S393-N437 PolarHBondContact OG-OD1 2.97Å; L434-N437 PolarHBondContact O-N 3.06Å; L435-N437 VanDerWaalsContact C-N 3.27Å
438	A	89.8	Confident	95.9	Very high	33 Å²	33	29.1 Å²	29.1	27%	0.273	14%	0.142	S	C	.	.	S	Bend	trans	-99.6	-26.1	-180	0	0	0	0	0	111.7	D436 L454	D436-A438 PolarHBondContact O-N 3.4Å; D436-A438 PolarHBondContact OD1-N 3.27Å; A438-L454 WeakPolarHBondContact O-CB 3.15Å; A438-L454 WeakPolarHBondContact O-CG 3.36Å; A438-L454 PolarHBondContact O-N 2.88Å
439	R	94.5	Very high	95.9	Very high	64 Å²	64	29.6 Å²	29.6	24%	0.242	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	153.2	-177.3	-63.1	-179.2	-65.5	164.7	1.3	112.8	L434 D436 L451 W452 I460	L434-R439 HydrophobicContact CB-CB 4.33Å; L434-R439 HydrophobicContact CD1-CB 3.95Å; L434-R439 HydrophobicContact CD2-CB 4.16Å; L434-R439 HydrophobicContact CG-CB 4.39Å; L434-R439 PolarHBondContact N-O 2.82Å; D436-R439 PolarHBondContact OD1-N 2.86Å; D436-R439 IonicContact OD2-CZ 2.69Å; D436-R439 IonicContact OD2-NE 2.93Å; D436-R439 PolarHBondContact OD2-NE 3.38Å; D436-R439 IonicContact OD2-NH2 3.9Å; D436-R439 PolarHBondContact OD2-NH2 3.35Å; R439-L451 HydrophobicContact CB-CD1 4.16Å; R439-W452 WeakPolarHBondContact CA-O 2.98Å; R439-W452 WeakPolarHBondContact CB-O 3.49Å; R439-I460 HydrophobicContact CG-CD1 4.18Å
440	I	97.6	Very high	95.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.2	175	-57	-56.7	0	0	0	109.3	L399 I409 L421 A431 K432 F433 L451 W452 L454	L399-I440 HydrophobicContact CD1-CG2 4.28Å; L399-I440 HydrophobicContact CD2-CD1 3.92Å; L399-I440 HydrophobicContact CD2-CG2 3.91Å; I409-I440 HydrophobicContact CD1-CD1 4.29Å; I409-I440 HydrophobicContact CD1-CG1 4.18Å; L421-I440 HydrophobicContact CD1-CB 4.38Å; L421-I440 HydrophobicContact CD1-CG1 4.27Å; L421-I440 HydrophobicContact CD1-CG2 4.31Å; A431-I440 HydrophobicContact CB-CG2 4.39Å; K432-I440 CarbonylContact O-C 3.57Å; K432-I440 WeakPolarHBondContact O-CA 3.31Å; K432-I440 WeakPolarHBondContact O-CG2 3.32Å; F433-I440 HydrophobicContact CB-CD1 4.21Å; F433-I440 HydrophobicContact CD1-CD1 3.23Å; F433-I440 HydrophobicContact CD2-CD1 4.34Å; F433-I440 HydrophobicContact CE1-CD1 3.57Å; F433-I440 HydrophobicContact CG-CD1 3.66Å; F433-I440 HydrophobicContact CZ-CD1 4.26Å; I440-L451 CarbonylContact O-C 3.58Å; I440-L451 WeakPolarHBondContact O-CA 3.41Å; I440-W452 HydrophobicContact CB-CB 4.24Å; I440-W452 HydrophobicContact CB-CG 4.48Å; I440-W452 PolarHBondContact N-O 2.92Å; I440-W452 PolarHBondContact O-N 2.81Å; I440-L454 HydrophobicContact CD1-CD1 4Å; I440-L454 HydrophobicContact CG1-CD1 3.99Å; I440-L454 HydrophobicContact CG1-CD2 3.77Å; I440-L454 HydrophobicContact CG1-CG 4.02Å
441	V	98.2	Very high	95.8	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.042	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.7	156.4	-171.3	0	0	0	0	109.9	A431 K432 L434 L449 K450 L451 I472 V479	A431-V441 CarbonylContact C-O 3.51Å; A431-V441 VanDerWaalsContact CA-O 3.26Å; A431-V441 WeakPolarHBondContact CA-O 3.12Å; K432-V441 PolarHBondContact N-O 3.32Å; K432-V441 PolarHBondContact O-N 2.71Å; L434-V441 HydrophobicContact CD1-CG2 3.55Å; V441-L449 HydrophobicContact CG1-CB 4.33Å; V441-K450 CarbonylContact C-O 3.5Å; V441-K450 VanDerWaalsContact CA-O 3.29Å; V441-K450 WeakPolarHBondContact CA-O 3.47Å; V441-L451 HydrophobicContact CG2-CD1 3.98Å; V441-I472 HydrophobicContact CB-CG2 4.46Å; V441-I472 HydrophobicContact CG1-CD1 3.88Å; V441-I472 HydrophobicContact CG1-CG2 4.48Å; V441-V479 HydrophobicContact CG1-CG1 4.23Å; V441-V479 HydrophobicContact CG2-CG1 4.27Å; V441-V479 HydrophobicContact CG2-CG2 3.78Å
442	S	98.7	Very high	95.7	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	148.9	166	64.8	0	0	0	0	112	H424 S430 L449 K450 W452 I472	H424-S442 PolarHBondContact CD2-OG 2.52Å; H424-S442 PolarHBondContact NE2-OG 3.24Å; S430-S442 WeakPolarHBondContact O-CA 3.38Å; S442-L449 CarbonylContact O-C 3.54Å; S442-L449 VanDerWaalsContact O-CA 3.32Å; S442-L449 WeakPolarHBondContact O-CA 3.29Å; S442-K450 PolarHBondContact N-O 3.38Å; S442-K450 PolarHBondContact O-N 3.1Å; S442-W452 PolarHBondContact OG-NE1 3.41Å; S442-I472 VanDerWaalsContact C-CD1 3.42Å
443	G	98.8	Very high	95.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	134.6	-175.9	0	0	0	0	0	110.6	V428 L429 S430 I472	V428-G443 WeakPolarHBondContact CG1-O 3.48Å; L429-G443 PolarHBondContact N-O 3.27Å; S430-G443 PolarHBondContact N-O 2.81Å; S430-G443 PolarHBondContact O-N 3.06Å; G443-I472 VanDerWaalsContact CA-CD1 3.45Å
444	S	98.9	Very high	95.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	157.5	-165.1	172.2	0	0	0	0	113.6	H424 G426 K427 D446 R447 T448 C469	H424-S444 WeakPolarHBondContact CE1-CB 3.36Å; H424-S444 WeakPolarHBondContact ND1-CB 3.41Å; G426-S444 PolarHBondContact O-OG 3.2Å; K427-S444 CarbonylContact O-C 3.59Å; K427-S444 VanDerWaalsContact O-CA 3.3Å; K427-S444 WeakPolarHBondContact O-CA 3.47Å; K427-S444 PolarHBondContact O-OG 3.23Å; S444-D446 VanDerWaalsContact CB-CG 3.5Å; S444-D446 VanDerWaalsContact CB-OD1 3.31Å; S444-D446 WeakPolarHBondContact CB-OD1 3.43Å; S444-D446 WeakPolarHBondContact CB-OD2 3.31Å; S444-D446 PolarHBondContact O-N 3.34Å; S444-D446 PolarHBondContact OG-N 2.79Å; S444-D446 PolarHBondContact OG-OD1 2.92Å; S444-D446 PolarHBondContact OG-OD2 3.49Å; S444-R447 PolarHBondContact O-N 3.01Å; S444-R447 VanDerWaalsContact O-N 3.11Å; S444-T448 PolarHBondContact N-O 2.89Å; S444-C469 PolarHBondContact O-N 3.44Å; S444-C469 VanDerWaalsContact O-N 3.1Å
445	H	98.6	Very high	95.2	Very high	99 Å²	99	42.3 Å²	42.3	46%	0.458	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.4	167.7	-169	-82.8	0	0	0	113	K427 L429 R447 S468	K427-H445 HydrophobicContact CB-CB 4.11Å; K427-H445 PolarHBondContact O-N 3.36Å; L429-H445 HydrophobicContact CD1-CB 4.14Å; H445-R447 PolarHBondContact O-N 2.93Å; H445-R447 VanDerWaalsContact O-N 3.15Å; H445-S468 WeakPolarHBondContact CA-OG 3.36Å; H445-S468 PolarHBondContact CD2-OG 2.91Å
446	D	98.7	Very high	95.4	Very high	26 Å²	26	42.6 Å²	42.6	14%	0.139	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-0.8	169.2	64.8	34.4	0	0	0	114.3	H424 S425 S444 T448	H424-D446 WeakPolarHBondContact CA-OD2 3.4Å; H424-D446 WeakPolarHBondContact CB-OD2 3.44Å; H424-D446 IonicContact CE1-OD2 2.68Å; H424-D446 IonicContact CG-OD2 3.83Å; H424-D446 IonicContact ND1-OD1 3.89Å; H424-D446 PolarHBondContact ND1-OD1 3.19Å; H424-D446 IonicContact ND1-OD2 3.07Å; H424-D446 PolarHBondContact ND1-OD2 2.88Å; S425-D446 PolarHBondContact N-OD2 2.69Å; S425-D446 WeakPolarHBondContact OG-CB 3.22Å; S444-D446 VanDerWaalsContact CB-CG 3.5Å; S444-D446 VanDerWaalsContact CB-OD1 3.31Å; S444-D446 WeakPolarHBondContact CB-OD1 3.43Å; S444-D446 WeakPolarHBondContact CB-OD2 3.31Å; S444-D446 PolarHBondContact O-N 3.34Å; S444-D446 PolarHBondContact OG-N 2.79Å; S444-D446 PolarHBondContact OG-OD1 2.92Å; S444-D446 PolarHBondContact OG-OD2 3.49Å; D446-T448 VanDerWaalsContact C-N 3.3Å; D446-T448 WeakPolarHBondContact OD1-CA 3.18Å; D446-T448 VanDerWaalsContact OD1-CB 3.31Å; D446-T448 WeakPolarHBondContact OD1-CB 3.34Å; D446-T448 PolarHBondContact OD1-N 2.93Å; D446-T448 PolarHBondContact OD1-OG1 3.41Å
447	R	98.7	Very high	95.6	Very high	122 Å²	122	46.2 Å²	46.2	46%	0.46	22%	0.218	S	C	.	.	S	Bend	trans	69.8	22.6	179.6	-40	-175.1	-70.6	156.2	-8.5	113.7	S444 H445 F464 A465 G466	S444-R447 PolarHBondContact O-N 3.01Å; S444-R447 VanDerWaalsContact O-N 3.11Å; H445-R447 PolarHBondContact O-N 2.93Å; H445-R447 VanDerWaalsContact O-N 3.15Å; R447-F464 HydrophobicContact CB-CD2 4.42Å; R447-F464 HydrophobicContact CB-CE2 3.95Å; R447-F464 WeakPolarHBondContact O-CD2 3.19Å; R447-A465 WeakPolarHBondContact O-CB 3.3Å; R447-A465 PolarHBondContact O-N 3Å; R447-G466 PolarHBondContact NH1-O 3.15Å
448	T	98.6	Very high	96.2	Very high	23 Å²	23	46.8 Å²	46.8	14%	0.141	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	152.7	171.7	71.3	0	0	0	0	112.2	H424 S444 D446 T462 V463	H424-T448 PolarHBondContact CE1-OG1 2.78Å; H424-T448 PolarHBondContact ND1-OG1 2.8Å; S444-T448 PolarHBondContact N-O 2.89Å; D446-T448 VanDerWaalsContact C-N 3.3Å; D446-T448 WeakPolarHBondContact OD1-CA 3.18Å; D446-T448 VanDerWaalsContact OD1-CB 3.31Å; D446-T448 WeakPolarHBondContact OD1-CB 3.34Å; D446-T448 PolarHBondContact OD1-N 2.93Å; D446-T448 PolarHBondContact OD1-OG1 3.41Å; T448-T462 HydrophobicContact CG2-CG2 3.94Å; T448-V463 CarbonylContact C-O 3.59Å; T448-V463 WeakPolarHBondContact CA-O 3.5Å; T448-V463 WeakPolarHBondContact CB-O 3.29Å
449	L	98.6	Very high	96.6	Very high	10 Å²	10	47.3 Å²	47.3	5%	0.052	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	143.3	158.4	-54.3	-173.3	0	0	0	108.5	V441 S442 T462 V463 A465 C469 I472 W491	V441-L449 HydrophobicContact CG1-CB 4.33Å; S442-L449 CarbonylContact O-C 3.54Å; S442-L449 VanDerWaalsContact O-CA 3.32Å; S442-L449 WeakPolarHBondContact O-CA 3.29Å; L449-T462 WeakPolarHBondContact O-CA 3.21Å; L449-V463 PolarHBondContact N-O 2.93Å; L449-V463 PolarHBondContact O-N 2.99Å; L449-A465 HydrophobicContact CD2-CB 4.44Å; L449-A465 HydrophobicContact CG-CB 4.05Å; L449-C469 HydrophobicContact CD2-CB 3.96Å; L449-I472 HydrophobicContact CD2-CD1 4.16Å; L449-I472 HydrophobicContact CD2-CG1 4.37Å; L449-W491 HydrophobicContact CD1-CD2 4.21Å; L449-W491 HydrophobicContact CD1-CG 4.34Å; L449-W491 HydrophobicContact CD1-CZ2 4.08Å
450	K	98.4	Very high	96.6	Very high	21 Å²	21	48 Å²	48	9%	0.091	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132.6	172	-73.3	177.9	-175.5	-89.9	0	111	G423 V441 S442 W452 K461 T462	G423-K450 VanDerWaalsContact C-CE 3.47Å; G423-K450 WeakPolarHBondContact O-CE 3.27Å; G423-K450 PolarHBondContact O-NZ 2.97Å; V441-K450 CarbonylContact C-O 3.5Å; V441-K450 VanDerWaalsContact CA-O 3.29Å; V441-K450 WeakPolarHBondContact CA-O 3.47Å; S442-K450 PolarHBondContact N-O 3.38Å; S442-K450 PolarHBondContact O-N 3.1Å; K450-W452 HydrophobicContact CB-CZ2 3.75Å; K450-W452 HydrophobicContact CD-CH2 3.88Å; K450-W452 HydrophobicContact CD-CZ2 3.52Å; K450-W452 HydrophobicContact CG-CZ2 4.28Å; K450-W452 PolarHBondContact O-NE1 3.39Å; K450-K461 VanDerWaalsContact CA-O 3.3Å; K450-K461 WeakPolarHBondContact CA-O 3.38Å; K450-T462 HydrophobicContact CG-CG2 4.03Å; K450-T462 PolarHBondContact NZ-OG1 2.96Å
451	L	97.1	Very high	96.4	Very high	24 Å²	24	51.1 Å²	51.1	13%	0.126	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	127.9	170.5	-177.4	70	0	0	0	108.1	L434 R439 I440 V441 C459 I460 K461	L434-L451 HydrophobicContact CD1-CD1 3.9Å; L434-L451 HydrophobicContact CD2-CD1 4.15Å; R439-L451 HydrophobicContact CB-CD1 4.16Å; I440-L451 CarbonylContact O-C 3.58Å; I440-L451 WeakPolarHBondContact O-CA 3.41Å; V441-L451 HydrophobicContact CG2-CD1 3.98Å; L451-C459 CarbonylContact O-C 3.59Å; L451-I460 HydrophobicContact CD2-CB 4.33Å; L451-I460 HydrophobicContact CD2-CD1 3.95Å; L451-I460 HydrophobicContact CD2-CG2 4.47Å; L451-I460 HydrophobicContact CG-CB 4.37Å; L451-I460 HydrophobicContact CG-CD1 3.93Å; L451-I460 PolarHBondContact O-N 3.28Å; L451-K461 HydrophobicContact CB-CB 4.27Å; L451-K461 PolarHBondContact N-O 3.48Å; L451-K461 PolarHBondContact O-N 2.93Å
452	W	97.8	Very high	96.4	Very high	6 Å²	6	54.1 Å²	54.1	2%	0.023	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.6	-177.5	-45.6	81.9	0	0	0	110.5	L421 T422 R439 I440 S442 K450 V458 C459	L421-W452 HydrophobicContact CB-CD2 3.96Å; L421-W452 HydrophobicContact CB-CE3 3.87Å; L421-W452 HydrophobicContact CB-CH2 4.13Å; L421-W452 HydrophobicContact CB-CZ2 4.2Å; L421-W452 HydrophobicContact CB-CZ3 3.96Å; L421-W452 HydrophobicContact CD1-CB 4.2Å; L421-W452 HydrophobicContact CD1-CD2 4.14Å; L421-W452 HydrophobicContact CD1-CG 3.92Å; L421-W452 HydrophobicContact CD2-CD2 4.39Å; L421-W452 HydrophobicContact CD2-CE3 4.12Å; L421-W452 HydrophobicContact CG-CD2 4.38Å; L421-W452 HydrophobicContact CG-CE3 4.42Å; T422-W452 VanDerWaalsContact O-CH2 3.25Å; T422-W452 WeakPolarHBondContact O-CH2 3.29Å; T422-W452 VanDerWaalsContact O-CZ3 3.29Å; T422-W452 WeakPolarHBondContact O-CZ3 3.33Å; R439-W452 WeakPolarHBondContact CA-O 2.98Å; R439-W452 WeakPolarHBondContact CB-O 3.49Å; I440-W452 HydrophobicContact CB-CB 4.24Å; I440-W452 HydrophobicContact CB-CG 4.48Å; I440-W452 PolarHBondContact N-O 2.92Å; I440-W452 PolarHBondContact O-N 2.81Å; S442-W452 PolarHBondContact OG-NE1 3.41Å; K450-W452 HydrophobicContact CB-CZ2 3.75Å; K450-W452 HydrophobicContact CD-CH2 3.88Å; K450-W452 HydrophobicContact CD-CZ2 3.52Å; K450-W452 HydrophobicContact CG-CZ2 4.28Å; K450-W452 PolarHBondContact O-NE1 3.39Å; W452-V458 WeakPolarHBondContact CA-O 3.38Å; W452-C459 HydrophobicContact CD2-CB 4.38Å; W452-C459 HydrophobicContact CE3-CB 3.72Å; W452-C459 HydrophobicContact CH2-CB 4.33Å; W452-C459 HydrophobicContact CZ3-CB 3.7Å
453	D	95.4	Very high	96.3	Very high	34 Å²	34	55.8 Å²	55.8	18%	0.182	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	124.2	169.5	-177.5	-102.7	0	0	0	109.6	R455 S456 K457 V458 I460	D453-R455 WeakPolarHBondContact OD1-CB 3.38Å; D453-R455 PolarHBondContact OD1-N 2.95Å; D453-S456 WeakPolarHBondContact CB-OG 3.35Å; D453-S456 WeakPolarHBondContact OD1-CB 3.43Å; D453-S456 PolarHBondContact OD1-N 3.47Å; D453-S456 PolarHBondContact OD1-OG 3.41Å; D453-K457 WeakPolarHBondContact O-CA 3.43Å; D453-K457 PolarHBondContact O-N 2.95Å; D453-V458 PolarHBondContact N-O 2.96Å; D453-V458 PolarHBondContact O-N 3.14Å; D453-I460 HydrophobicContact CB-CD1 3.69Å; D453-I460 HydrophobicContact CB-CG1 3.72Å
454	L	92.3	Very high	96.3	Very high	25 Å²	25	61.7 Å²	61.7	13%	0.131	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-22.8	-176.1	-62.1	-175.9	0	0	0	113.2	I409 H419 L421 F433 A438 I440	I409-L454 HydrophobicContact CD1-CD1 3.65Å; I409-L454 HydrophobicContact CD1-CD2 3.43Å; I409-L454 VanDerWaalsContact CD1-CD2 3.43Å; I409-L454 HydrophobicContact CD1-CG 4.2Å; H419-L454 PolarHBondContact CE1-O 2.91Å; L421-L454 HydrophobicContact CD1-CD2 4.41Å; L421-L454 HydrophobicContact CD2-CD2 4.36Å; F433-L454 HydrophobicContact CE1-CD1 4.14Å; A438-L454 WeakPolarHBondContact O-CB 3.15Å; A438-L454 WeakPolarHBondContact O-CG 3.36Å; A438-L454 PolarHBondContact O-N 2.88Å; I440-L454 HydrophobicContact CD1-CD1 4Å; I440-L454 HydrophobicContact CG1-CD1 3.99Å; I440-L454 HydrophobicContact CG1-CD2 3.77Å; I440-L454 HydrophobicContact CG1-CG 4.02Å
455	R	91.8	Very high	96.2	Very high	198 Å²	198	61.8 Å²	61.8	75%	0.747	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-50.4	-179	-172	-178.7	-65.4	-162.1	1.4	111.4	D453	D453-R455 WeakPolarHBondContact OD1-CB 3.38Å; D453-R455 PolarHBondContact OD1-N 2.95Å
456	S	92.3	Very high	96.1	Very high	70 Å²	70	58.3 Å²	58.3	49%	0.49	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-13.6	176.9	60.9	0	0	0	0	113.6	D453 V458	D453-S456 WeakPolarHBondContact CB-OG 3.35Å; D453-S456 WeakPolarHBondContact OD1-CB 3.43Å; D453-S456 PolarHBondContact OD1-N 3.47Å; D453-S456 PolarHBondContact OD1-OG 3.41Å; S456-V458 PolarHBondContact O-N 3.27Å
457	K	92	Very high	96.1	Very high	146 Å²	146	57.8 Å²	57.8	64%	0.635	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	33.4	175.3	-50	171.7	-175.5	172.1	0	113.7	D453	D453-K457 WeakPolarHBondContact O-CA 3.43Å; D453-K457 PolarHBondContact O-N 2.95Å
458	V	94	Very high	96.1	Very high	74 Å²	74	52.4 Å²	52.4	45%	0.448	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	155.8	-179.4	-53.9	0	0	0	0	112.6	W452 D453 S456 I460	W452-V458 WeakPolarHBondContact CA-O 3.38Å; D453-V458 PolarHBondContact N-O 2.96Å; D453-V458 PolarHBondContact O-N 3.14Å; S456-V458 PolarHBondContact O-N 3.27Å; V458-I460 PolarHBondContact O-N 3.28Å
459	C	97.3	Very high	96.1	Very high	44 Å²	44	51.3 Å²	51.3	30%	0.297	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	105.2	161.3	174.9	0	0	0	0	108.4	L451 W452 K461 T462	L451-C459 CarbonylContact O-C 3.59Å; W452-C459 HydrophobicContact CD2-CB 4.38Å; W452-C459 HydrophobicContact CE3-CB 3.72Å; W452-C459 HydrophobicContact CH2-CB 4.33Å; W452-C459 HydrophobicContact CZ3-CB 3.7Å; C459-K461 PolarHBondContact SG-O 3.41Å; C459-T462 PolarHBondContact SG-OG1 2.89Å
460	I	94.6	Very high	96.1	Very high	79 Å²	79	50.9 Å²	50.9	41%	0.405	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	-48.5	177	-48.7	177	0	0	0	110.2	R439 L451 D453 V458	R439-I460 HydrophobicContact CG-CD1 4.18Å; L451-I460 HydrophobicContact CD2-CB 4.33Å; L451-I460 HydrophobicContact CD2-CD1 3.95Å; L451-I460 HydrophobicContact CD2-CG2 4.47Å; L451-I460 HydrophobicContact CG-CB 4.37Å; L451-I460 HydrophobicContact CG-CD1 3.93Å; L451-I460 PolarHBondContact O-N 3.28Å; D453-I460 HydrophobicContact CB-CD1 3.69Å; D453-I460 HydrophobicContact CB-CG1 3.72Å; V458-I460 PolarHBondContact O-N 3.28Å
461	K	94.8	Very high	96.1	Very high	65 Å²	65	50.2 Å²	50.2	28%	0.283	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	141.3	-172.1	-162.2	175.1	-168.6	173.5	0	111.4	K450 L451 C459 V463 E496	K450-K461 VanDerWaalsContact CA-O 3.3Å; K450-K461 WeakPolarHBondContact CA-O 3.38Å; L451-K461 HydrophobicContact CB-CB 4.27Å; L451-K461 PolarHBondContact N-O 3.48Å; L451-K461 PolarHBondContact O-N 2.93Å; C459-K461 PolarHBondContact SG-O 3.41Å; K461-V463 HydrophobicContact CD-CG2 3.76Å; K461-V463 HydrophobicContact CG-CG2 3.84Å; K461-E496 HydrophobicContact CD-CB 4.23Å; K461-E496 VanDerWaalsContact CD-OE2 3.29Å; K461-E496 WeakPolarHBondContact CD-OE2 3.5Å; K461-E496 WeakPolarHBondContact CE-OE2 3.46Å; K461-E496 PolarHBondContact NZ-O 3.41Å; K461-E496 IonicContact NZ-OE2 2.93Å; K461-E496 PolarHBondContact NZ-OE2 2.98Å
462	T	97.2	Very high	96.2	Very high	70 Å²	70	49 Å²	49	43%	0.429	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127	165.4	-56.5	0	0	0	0	108.1	T448 L449 K450 C459	T448-T462 HydrophobicContact CG2-CG2 3.94Å; L449-T462 WeakPolarHBondContact O-CA 3.21Å; K450-T462 HydrophobicContact CG-CG2 4.03Å; K450-T462 PolarHBondContact NZ-OG1 2.96Å; C459-T462 PolarHBondContact SG-OG1 2.89Å
463	V	97.1	Very high	96.2	Very high	35 Å²	35	49 Å²	49	21%	0.212	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	130.8	-178.8	-176.4	0	0	0	0	109.4	T448 L449 K461 A465 W491	T448-V463 CarbonylContact C-O 3.59Å; T448-V463 WeakPolarHBondContact CA-O 3.5Å; T448-V463 WeakPolarHBondContact CB-O 3.29Å; L449-V463 PolarHBondContact N-O 2.93Å; L449-V463 PolarHBondContact O-N 2.99Å; K461-V463 HydrophobicContact CD-CG2 3.76Å; K461-V463 HydrophobicContact CG-CG2 3.84Å; V463-A465 PolarHBondContact O-N 2.72Å; V463-W491 HydrophobicContact CG1-CE3 4.13Å; V463-W491 HydrophobicContact CG1-CH2 3.91Å; V463-W491 HydrophobicContact CG1-CZ3 3.43Å; V463-W491 VanDerWaalsContact CG1-CZ3 3.43Å
464	F	97.4	Very high	96.3	Very high	125 Å²	125	47.7 Å²	47.7	55%	0.548	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	123.1	173.4	176.6	-116.8	0	0	0	110.3	R447 G466	R447-F464 HydrophobicContact CB-CD2 4.42Å; R447-F464 HydrophobicContact CB-CE2 3.95Å; R447-F464 WeakPolarHBondContact O-CD2 3.19Å; F464-G466 VanDerWaalsContact CZ-CA 3.44Å; F464-G466 WeakPolarHBondContact CZ-O 3.39Å
465	A	97	Very high	96.4	Very high	2 Å²	2	47.4 Å²	47.4	2%	0.017	25%	0.246	C	C	.	.			trans	-103	12.3	-171	0	0	0	0	0	113.8	R447 L449 V463 S467 R489 W491	R447-A465 WeakPolarHBondContact O-CB 3.3Å; R447-A465 PolarHBondContact O-N 3Å; L449-A465 HydrophobicContact CD2-CB 4.44Å; L449-A465 HydrophobicContact CG-CB 4.05Å; V463-A465 PolarHBondContact O-N 2.72Å; A465-S467 PolarHBondContact O-N 3.39Å; A465-R489 WeakPolarHBondContact O-CD 3.41Å; A465-R489 VanDerWaalsContact O-CZ 3.3Å; A465-R489 PolarHBondContact O-NE 2.82Å; A465-R489 PolarHBondContact O-NH1 3.46Å; A465-W491 HydrophobicContact CB-CH2 4.31Å; A465-W491 HydrophobicContact CB-CZ2 3.93Å
466	G	96.8	Very high	96.3	Very high	26 Å²	26	45.1 Å²	45.1	27%	0.268	24%	0.244	S	C	.	.	S	Bend	trans	78.3	-52	-178.2	0	0	0	0	0	113.8	R447 F464	R447-G466 PolarHBondContact NH1-O 3.15Å; F464-G466 VanDerWaalsContact CZ-CA 3.44Å; F464-G466 WeakPolarHBondContact CZ-O 3.39Å
467	S	98.6	Very high	96.2	Very high	15 Å²	15	47.5 Å²	47.5	11%	0.105	25%	0.247	C	C	.	.	S	Bend	trans	-139.4	164.2	-171	-171	0	0	0	0	112.9	A465 C469 H483 D485	A465-S467 PolarHBondContact O-N 3.39Å; S467-C469 PolarHBondContact O-N 3.44Å; S467-H483 PolarHBondContact O-ND1 3.2Å; S467-D485 VanDerWaalsContact CB-OD1 3.29Å; S467-D485 WeakPolarHBondContact CB-OD1 3.25Å; S467-D485 WeakPolarHBondContact CB-OD2 3.45Å; S467-D485 WeakPolarHBondContact OG-CB 3.4Å; S467-D485 PolarHBondContact OG-N 3.48Å; S467-D485 VanDerWaalsContact OG-N 3.12Å
468	S	98.6	Very high	96.3	Very high	8 Å²	8	41.6 Å²	41.6	6%	0.056	22%	0.224	C	C	.	.			trans	-54	125.1	179.1	169.7	0	0	0	0	109.5	H445 H483 F484	H445-S468 WeakPolarHBondContact CA-OG 3.36Å; H445-S468 PolarHBondContact CD2-OG 2.91Å; S468-H483 CarbonylContact O-C 3.59Å; S468-H483 VanDerWaalsContact O-CA 3.23Å; S468-H483 WeakPolarHBondContact O-CA 3.36Å; S468-H483 PolarHBondContact O-ND1 3.3Å; S468-F484 PolarHBondContact O-N 2.81Å
469	C	98.8	Very high	96.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	118.1	-179.4	-177.4	0	0	0	0	109.6	L429 S444 L449 S467 D471	L429-C469 WeakPolarHBondContact CB-O 3.47Å; L429-C469 VanDerWaalsContact CD1-O 3.31Å; L429-C469 WeakPolarHBondContact CD1-O 3.33Å; S444-C469 PolarHBondContact O-N 3.44Å; S444-C469 VanDerWaalsContact O-N 3.1Å; L449-C469 HydrophobicContact CD2-CB 3.96Å; S467-C469 PolarHBondContact O-N 3.44Å; C469-D471 PolarHBondContact SG-O 3.06Å
470	N	98.6	Very high	96.5	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.011	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-30.7	-177.6	-70.3	-12.8	0	0	0	112.8	L429 G482 I508 R556	L429-N470 WeakPolarHBondContact CD1-OD1 3.25Å; N470-G482 PolarHBondContact N-O 2.6Å; N470-I508 WeakPolarHBondContact CB-O 3.29Å; N470-I508 PolarHBondContact ND2-O 3.49Å; N470-R556 PolarHBondContact O-NH1 3.42Å
471	D	98.8	Very high	96.7	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.032	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	159.8	173.8	-142.3	-19.1	0	0	0	113.5	S430 K432 C469 S481 G482 A510 L511 R556	S430-D471 VanDerWaalsContact CB-OD1 3.26Å; S430-D471 WeakPolarHBondContact CB-OD1 3.29Å; S430-D471 PolarHBondContact OG-OD1 3.3Å; K432-D471 IonicContact NZ-OD1 3.32Å; K432-D471 PolarHBondContact NZ-OD1 3.14Å; C469-D471 PolarHBondContact SG-O 3.06Å; D471-S481 CarbonylContact O-C 3.58Å; D471-S481 WeakPolarHBondContact O-CA 3.42Å; D471-G482 PolarHBondContact N-O 3.5Å; D471-G482 PolarHBondContact O-N 3.24Å; D471-A510 WeakPolarHBondContact OD2-CA 3.24Å; D471-L511 HydrophobicContact CB-CB 4.36Å; D471-L511 HydrophobicContact CB-CG 4.45Å; D471-L511 PolarHBondContact OD2-N 3.39Å; D471-R556 IonicContact OD1-NH1 2.71Å; D471-R556 IonicContact OD2-CZ 3.96Å; D471-R556 IonicContact OD2-NH1 3.94Å; D471-R556 PolarHBondContact OD2-NH1 3.29Å
472	I	98.8	Very high	96.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	143.9	176.4	-64.6	156.9	0	0	0	109.1	K432 V441 S442 G443 L449 V479 M480	K432-I472 HydrophobicContact CB-CG2 4.46Å; K432-I472 VanDerWaalsContact CE-O 3.31Å; K432-I472 WeakPolarHBondContact CE-O 3.26Å; K432-I472 HydrophobicContact CG-CB 4.3Å; K432-I472 HydrophobicContact CG-CG2 4.24Å; K432-I472 WeakPolarHBondContact CG-O 3.41Å; K432-I472 PolarHBondContact NZ-O 2.87Å; V441-I472 HydrophobicContact CB-CG2 4.46Å; V441-I472 HydrophobicContact CG1-CD1 3.88Å; V441-I472 HydrophobicContact CG1-CG2 4.48Å; S442-I472 VanDerWaalsContact C-CD1 3.42Å; G443-I472 VanDerWaalsContact CA-CD1 3.45Å; L449-I472 HydrophobicContact CD2-CD1 4.16Å; L449-I472 HydrophobicContact CD2-CG1 4.37Å; I472-V479 HydrophobicContact CG2-CG1 3.72Å; I472-M480 CarbonylContact C-O 3.58Å; I472-M480 VanDerWaalsContact CA-O 3.24Å; I472-M480 WeakPolarHBondContact CA-O 3.25Å
473	V	98.5	Very high	97	Very high	6 Å²	6	26.3 Å²	26.3	4%	0.036	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	154.8	162.1	-66.1	0	0	0	0	110.9	M480 L511 L513 L520	V473-M480 HydrophobicContact CG2-CB 3.89Å; V473-M480 HydrophobicContact CG2-CE 4.23Å; V473-M480 PolarHBondContact N-O 2.89Å; V473-M480 PolarHBondContact O-N 3.37Å; V473-L511 HydrophobicContact CG1-CB 3.96Å; V473-L511 VanDerWaalsContact CG1-O 3.28Å; V473-L511 WeakPolarHBondContact CG1-O 3.47Å; V473-L511 HydrophobicContact CG2-CB 4.08Å; V473-L511 HydrophobicContact CG2-CD1 4.43Å; V473-L513 HydrophobicContact CB-CD1 3.92Å; V473-L513 HydrophobicContact CB-CG 3.93Å; V473-L513 HydrophobicContact CG2-CD1 4.08Å; V473-L513 HydrophobicContact CG2-CD2 4.16Å; V473-L513 HydrophobicContact CG2-CG 3.81Å; V473-L520 HydrophobicContact CG2-CD1 3.55Å
474	C	96.4	Very high	97	Very high	6 Å²	6	29.1 Å²	29.1	4%	0.041	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137	-173.1	-59	0	0	0	0	112	L435 L513 R517	L435-C474 HydrophobicContact CD1-CB 4.42Å; C474-L513 VanDerWaalsContact O-CD1 3.28Å; C474-L513 WeakPolarHBondContact O-CD1 3.43Å; C474-R517 PolarHBondContact O-NH1 2.73Å
475	T	95.2	Very high	97.1	Very high	19 Å²	19	25.6 Å²	25.6	12%	0.117	14%	0.135	C	C	.	.			trans	-109	-178.7	158.4	73.2	0	0	0	0	109.5	Q477 C478 M480 I493 L513 R517	T475-Q477 PolarHBondContact O-N 3.05Å; T475-Q477 PolarHBondContact OG1-N 3.02Å; T475-C478 PolarHBondContact N-O 3.1Å; T475-C478 PolarHBondContact OG1-N 3.13Å; T475-C478 PolarHBondContact OG1-O 3.44Å; T475-M480 HydrophobicContact CG2-CE 3.7Å; T475-I493 WeakPolarHBondContact O-CD1 3.42Å; T475-L513 HydrophobicContact CG2-CD1 3.87Å; T475-R517 HydrophobicContact CG2-CB 4.12Å
476	E	89.4	Confident	97.2	Very high	149 Å²	149	29.5 Å²	29.5	70%	0.696	15%	0.152	S	C	*	.	S	Bend	trans	-61.7	-26.5	174.1	-57.3	-178.2	170.3	0	0	113.2	L435	L435-E476 HydrophobicContact CB-CG 4.43Å; L435-E476 HydrophobicContact CD2-CG 3.52Å
477	Q	89.6	Confident	97.2	Very high	120 Å²	120	30.1 Å²	30.1	56%	0.561	15%	0.147	S	C	*	.	S	Bend	trans	-114.9	-27	-169.7	-61.8	-178.7	-5.2	0	0	113.1	T475 I493	T475-Q477 PolarHBondContact O-N 3.05Å; T475-Q477 PolarHBondContact OG1-N 3.02Å; Q477-I493 PolarHBondContact O-N 3.08Å
478	C	94.4	Very high	97.2	Very high	22 Å²	22	29.4 Å²	29.4	15%	0.149	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	135	-169.1	-170.2	0	0	0	0	112.1	T475 W491	T475-C478 PolarHBondContact N-O 3.1Å; T475-C478 PolarHBondContact OG1-N 3.13Å; T475-C478 PolarHBondContact OG1-O 3.44Å; C478-W491 CarbonylContact C-O 3.56Å; C478-W491 VanDerWaalsContact CA-O 3.29Å; C478-W491 WeakPolarHBondContact CA-O 3.02Å; C478-W491 PolarHBondContact SG-O 2.91Å
479	V	97.3	Very high	97.2	Very high	10 Å²	10	29.9 Å²	29.9	6%	0.061	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	135	163.3	175.8	0	0	0	0	107.4	V441 I472 W491 I493	V441-V479 HydrophobicContact CG1-CG1 4.23Å; V441-V479 HydrophobicContact CG2-CG1 4.27Å; V441-V479 HydrophobicContact CG2-CG2 3.78Å; I472-V479 HydrophobicContact CG2-CG1 3.72Å; V479-W491 HydrophobicContact CB-CB 4.28Å; V479-W491 PolarHBondContact N-O 3.02Å; V479-W491 VanDerWaalsContact O-CD1 3.31Å; V479-W491 PolarHBondContact O-N 3.29Å; V479-I493 HydrophobicContact CG2-CD1 3.98Å; V479-I493 HydrophobicContact CG2-CG1 3.86Å
480	M	98.6	Very high	97.2	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.3	175.6	-74.8	157.9	-80.1	0	0	109.5	I472 V473 T475 R489 F490 L511 L513 L520 L534	I472-M480 CarbonylContact C-O 3.58Å; I472-M480 VanDerWaalsContact CA-O 3.24Å; I472-M480 WeakPolarHBondContact CA-O 3.25Å; V473-M480 HydrophobicContact CG2-CB 3.89Å; V473-M480 HydrophobicContact CG2-CE 4.23Å; V473-M480 PolarHBondContact N-O 2.89Å; V473-M480 PolarHBondContact O-N 3.37Å; T475-M480 HydrophobicContact CG2-CE 3.7Å; M480-R489 CarbonylContact C-O 3.56Å; M480-R489 WeakPolarHBondContact CA-O 3.35Å; M480-F490 HydrophobicContact CG-CD1 3.4Å; M480-F490 HydrophobicContact CG-CE1 3.67Å; M480-F490 HydrophobicContact CG-CG 4.12Å; M480-F490 HydrophobicContact SD-CD1 3.78Å; M480-F490 HydrophobicContact SD-CE1 3.6Å; M480-F490 VanDerWaalsContact SD-CE1 3.6Å; M480-L511 HydrophobicContact CB-CD1 4.38Å; M480-L513 HydrophobicContact CE-CD1 4.39Å; M480-L513 HydrophobicContact CE-CD2 3.98Å; M480-L520 HydrophobicContact SD-CD1 4.16Å; M480-L520 HydrophobicContact SD-CD2 3.99Å; M480-L534 HydrophobicContact CE-CD1 4.14Å; M480-L534 HydrophobicContact SD-CD1 4.19Å; M480-L534 HydrophobicContact SD-CD2 3.54Å; M480-L534 VanDerWaalsContact SD-CD2 3.54Å
481	S	98.7	Very high	97.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.1	-178.9	60.1	0	0	0	0	111.9	D471 H483 I488 R489 W491	D471-S481 CarbonylContact O-C 3.58Å; D471-S481 WeakPolarHBondContact O-CA 3.42Å; S481-H483 PolarHBondContact O-CD2 3.36Å; S481-H483 PolarHBondContact O-NE2 3.49Å; S481-H483 PolarHBondContact OG-CE1 2.97Å; S481-H483 PolarHBondContact OG-NE2 3.27Å; S481-I488 CarbonylContact O-C 3.55Å; S481-I488 WeakPolarHBondContact O-CA 3.39Å; S481-R489 PolarHBondContact N-O 3.07Å; S481-R489 PolarHBondContact O-N 3.47Å; S481-W491 PolarHBondContact OG-NE1 3.29Å
482	G	98.8	Very high	96.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.1	179.9	0	0	0	0	0	111.2	N470 D471	N470-G482 PolarHBondContact N-O 2.6Å; D471-G482 PolarHBondContact N-O 3.5Å; D471-G482 PolarHBondContact O-N 3.24Å
483	H	98.9	Very high	96.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	160.9	-166.3	-62.3	-86.6	0	0	0	116	S467 S468 S481 D485 K486 K487 R489 I508	S467-H483 PolarHBondContact O-ND1 3.2Å; S468-H483 CarbonylContact O-C 3.59Å; S468-H483 VanDerWaalsContact O-CA 3.23Å; S468-H483 WeakPolarHBondContact O-CA 3.36Å; S468-H483 PolarHBondContact O-ND1 3.3Å; S481-H483 PolarHBondContact O-CD2 3.36Å; S481-H483 PolarHBondContact O-NE2 3.49Å; S481-H483 PolarHBondContact OG-CE1 2.97Å; S481-H483 PolarHBondContact OG-NE2 3.27Å; H483-D485 WeakPolarHBondContact CB-OD1 3.42Å; H483-D485 IonicContact CG-OD1 3.7Å; H483-D485 PolarHBondContact O-N 2.85Å; H483-K486 PolarHBondContact O-N 2.91Å; H483-K487 WeakPolarHBondContact CB-O 3.45Å; H483-K487 PolarHBondContact CD2-O 3.06Å; H483-K487 PolarHBondContact N-O 3.23Å; H483-R489 PolarHBondContact CD2-NH1 3.48Å; H483-R489 VanDerWaalsContact CD2-NH1 3.25Å; H483-R489 VanDerWaalsContact CG-NH1 3.32Å; H483-I508 PolarHBondContact O-N 3.09Å
484	F	98.5	Very high	95.9	Very high	95 Å²	95	43.2 Å²	43.2	42%	0.417	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-29.1	172.1	-173.1	-77.3	0	0	0	113	S468 K486 K507	S468-F484 PolarHBondContact O-N 2.81Å; F484-K486 PolarHBondContact O-N 2.96Å; F484-K486 VanDerWaalsContact O-N 3.12Å; F484-K507 HydrophobicContact CD2-CD 3.8Å; F484-K507 HydrophobicContact CE2-CD 3.79Å; F484-K507 VanDerWaalsContact CE2-CE 3.44Å; F484-K507 HydrophobicContact CG-CD 4.22Å; F484-K507 HydrophobicContact CZ-CD 4.2Å
485	D	98.4	Very high	95.6	Very high	51 Å²	51	46.1 Å²	46.1	27%	0.273	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	21.8	175.3	70.1	-20.5	0	0	0	113.3	S467 H483 K487 R489	S467-D485 VanDerWaalsContact CB-OD1 3.29Å; S467-D485 WeakPolarHBondContact CB-OD1 3.25Å; S467-D485 WeakPolarHBondContact CB-OD2 3.45Å; S467-D485 WeakPolarHBondContact OG-CB 3.4Å; S467-D485 PolarHBondContact OG-N 3.48Å; S467-D485 VanDerWaalsContact OG-N 3.12Å; H483-D485 WeakPolarHBondContact CB-OD1 3.42Å; H483-D485 IonicContact CG-OD1 3.7Å; H483-D485 PolarHBondContact O-N 2.85Å; D485-K487 PolarHBondContact O-N 3.22Å; D485-K487 VanDerWaalsContact O-N 3.09Å; D485-R489 IonicContact OD1-CZ 2.68Å; D485-R489 IonicContact OD1-NH1 2.94Å; D485-R489 PolarHBondContact OD1-NH1 3.01Å; D485-R489 IonicContact OD1-NH2 2.71Å; D485-R489 IonicContact OD2-CZ 3.13Å; D485-R489 IonicContact OD2-NH1 3.7Å; D485-R489 PolarHBondContact OD2-NH1 3.15Å; D485-R489 VanDerWaalsContact OD2-NH1 3.14Å; D485-R489 IonicContact OD2-NH2 3.76Å; D485-R489 PolarHBondContact OD2-NH2 2.82Å
486	K	98.6	Very high	95.2	Very high	84 Å²	84	49 Å²	49	37%	0.365	23%	0.229	S	C	.	.	S	Bend	trans	66.2	2.2	178	-39.4	179.5	177	-169.2	0	115.2	H483 F484 E503 L504 L505 G506	H483-K486 PolarHBondContact O-N 2.91Å; F484-K486 PolarHBondContact O-N 2.96Å; F484-K486 VanDerWaalsContact O-N 3.12Å; K486-E503 HydrophobicContact CB-CG 4.34Å; K486-L504 VanDerWaalsContact CB-O 3.29Å; K486-L504 WeakPolarHBondContact CB-O 3.48Å; K486-L504 WeakPolarHBondContact CD-O 3.25Å; K486-L504 PolarHBondContact O-N 3.05Å; K486-L505 WeakPolarHBondContact CD-O 3.45Å; K486-L505 VanDerWaalsContact CE-O 3.27Å; K486-L505 WeakPolarHBondContact CE-O 3.27Å; K486-L505 PolarHBondContact NZ-O 3.12Å; K486-G506 WeakPolarHBondContact CA-O 3.29Å; K486-G506 VanDerWaalsContact CB-O 3.25Å; K486-G506 WeakPolarHBondContact CB-O 3.33Å
487	K	98.6	Very high	95.2	Very high	38 Å²	38	44.1 Å²	44.1	17%	0.165	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	144.9	-178.7	-67.2	-176	174.5	-169.2	0	111.8	H483 D485 E501 M502 E503	H483-K487 WeakPolarHBondContact CB-O 3.45Å; H483-K487 PolarHBondContact CD2-O 3.06Å; H483-K487 PolarHBondContact N-O 3.23Å; D485-K487 PolarHBondContact O-N 3.22Å; D485-K487 VanDerWaalsContact O-N 3.09Å; K487-E501 WeakPolarHBondContact CD-OE2 3.42Å; K487-E501 IonicContact NZ-OE1 3.02Å; K487-E501 PolarHBondContact NZ-OE1 3.09Å; K487-E501 IonicContact NZ-OE2 2.78Å; K487-E501 PolarHBondContact NZ-OE2 3.03Å; K487-M502 CarbonylContact C-O 3.57Å; K487-M502 VanDerWaalsContact CA-O 3.3Å; K487-M502 WeakPolarHBondContact CA-O 3.28Å; K487-E503 WeakPolarHBondContact CE-OE2 3.5Å; K487-E503 HydrophobicContact CG-CB 4.08Å; K487-E503 HydrophobicContact CG-CG 4.04Å; K487-E503 IonicContact NZ-OE2 3.54Å
488	I	98.8	Very high	95.4	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127	160.3	-58.9	175.1	0	0	0	106.4	S481 F490 E501 M502 L504 I508 L511 L520 I532	S481-I488 CarbonylContact O-C 3.55Å; S481-I488 WeakPolarHBondContact O-CA 3.39Å; I488-F490 HydrophobicContact CB-CE2 4.33Å; I488-F490 HydrophobicContact CG2-CD2 4.43Å; I488-F490 HydrophobicContact CG2-CE2 3.79Å; I488-F490 HydrophobicContact CG2-CZ 3.95Å; I488-E501 CarbonylContact O-C 3.53Å; I488-E501 WeakPolarHBondContact O-CA 3.13Å; I488-M502 HydrophobicContact CB-CE 4.43Å; I488-M502 HydrophobicContact CD1-CE 3.88Å; I488-M502 PolarHBondContact N-O 3.29Å; I488-M502 PolarHBondContact O-N 3.41Å; I488-L504 HydrophobicContact CD1-CD1 3.89Å; I488-L504 HydrophobicContact CG1-CD1 4.25Å; I488-I508 HydrophobicContact CD1-CD1 4.28Å; I488-I508 HydrophobicContact CG1-CD1 3.88Å; I488-I508 HydrophobicContact CG1-CG1 3.96Å; I488-L511 HydrophobicContact CD1-CD2 3.77Å; I488-L511 HydrophobicContact CG1-CD2 4.17Å; I488-L511 HydrophobicContact CG2-CD1 4.36Å; I488-L520 HydrophobicContact CD1-CD2 4.25Å; I488-L520 HydrophobicContact CG2-CD2 3.99Å; I488-I532 HydrophobicContact CD1-CD1 4.32Å
489	R	98.6	Very high	95.5	Very high	18 Å²	18	45.1 Å²	45.1	7%	0.068	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136.1	179.4	-66	-178.1	169.4	84.3	6.4	109.9	A465 M480 S481 H483 D485 W491 I498 E501	A465-R489 WeakPolarHBondContact O-CD 3.41Å; A465-R489 VanDerWaalsContact O-CZ 3.3Å; A465-R489 PolarHBondContact O-NE 2.82Å; A465-R489 PolarHBondContact O-NH1 3.46Å; M480-R489 CarbonylContact C-O 3.56Å; M480-R489 WeakPolarHBondContact CA-O 3.35Å; S481-R489 PolarHBondContact N-O 3.07Å; S481-R489 PolarHBondContact O-N 3.47Å; H483-R489 PolarHBondContact CD2-NH1 3.48Å; H483-R489 VanDerWaalsContact CD2-NH1 3.25Å; H483-R489 VanDerWaalsContact CG-NH1 3.32Å; D485-R489 IonicContact OD1-CZ 2.68Å; D485-R489 IonicContact OD1-NH1 2.94Å; D485-R489 PolarHBondContact OD1-NH1 3.01Å; D485-R489 IonicContact OD1-NH2 2.71Å; D485-R489 IonicContact OD2-CZ 3.13Å; D485-R489 IonicContact OD2-NH1 3.7Å; D485-R489 PolarHBondContact OD2-NH1 3.15Å; D485-R489 VanDerWaalsContact OD2-NH1 3.14Å; D485-R489 IonicContact OD2-NH2 3.76Å; D485-R489 PolarHBondContact OD2-NH2 2.82Å; R489-W491 HydrophobicContact CB-CZ2 3.99Å; R489-I498 HydrophobicContact CB-CD1 3.98Å; R489-I498 HydrophobicContact CG-CD1 3.85Å; R489-E501 HydrophobicContact CG-CB 4.34Å; R489-E501 IonicContact NH2-OE2 3.57Å
490	F	98	Very high	95.4	Very high	7 Å²	7	50.2 Å²	50.2	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	123.7	-178.3	-60	-105.1	0	0	0	108.2	M480 I488 I498 V499 R500 M502 L520 L534	M480-F490 HydrophobicContact CG-CD1 3.4Å; M480-F490 HydrophobicContact CG-CE1 3.67Å; M480-F490 HydrophobicContact CG-CG 4.12Å; M480-F490 HydrophobicContact SD-CD1 3.78Å; M480-F490 HydrophobicContact SD-CE1 3.6Å; M480-F490 VanDerWaalsContact SD-CE1 3.6Å; I488-F490 HydrophobicContact CB-CE2 4.33Å; I488-F490 HydrophobicContact CG2-CD2 4.43Å; I488-F490 HydrophobicContact CG2-CE2 3.79Å; I488-F490 HydrophobicContact CG2-CZ 3.95Å; F490-I498 WeakPolarHBondContact O-CA 3.48Å; F490-V499 HydrophobicContact CB-CG2 4.03Å; F490-V499 WeakPolarHBondContact O-CG2 3.41Å; F490-V499 PolarHBondContact O-N 3.43Å; F490-R500 HydrophobicContact CB-CB 4Å; F490-R500 HydrophobicContact CD2-CB 3.86Å; F490-R500 HydrophobicContact CD2-CG 4.06Å; F490-R500 HydrophobicContact CE2-CG 4.47Å; F490-R500 HydrophobicContact CG-CB 4.13Å; F490-R500 PolarHBondContact N-O 3.1Å; F490-R500 PolarHBondContact O-N 3.09Å; F490-M502 HydrophobicContact CE2-CB 4.22Å; F490-M502 HydrophobicContact CZ-CE 4.32Å; F490-L520 HydrophobicContact CE1-CD2 4.37Å; F490-L520 HydrophobicContact CZ-CD2 4.24Å; F490-L534 HydrophobicContact CE1-CD2 3.79Å
491	W	97.1	Very high	95.3	Very high	24 Å²	24	54.8 Å²	54.8	9%	0.091	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	117.6	-175	-48	84.8	0	0	0	108.8	L449 V463 A465 C478 V479 S481 R489 S497 I498	L449-W491 HydrophobicContact CD1-CD2 4.21Å; L449-W491 HydrophobicContact CD1-CG 4.34Å; L449-W491 HydrophobicContact CD1-CZ2 4.08Å; V463-W491 HydrophobicContact CG1-CE3 4.13Å; V463-W491 HydrophobicContact CG1-CH2 3.91Å; V463-W491 HydrophobicContact CG1-CZ3 3.43Å; V463-W491 VanDerWaalsContact CG1-CZ3 3.43Å; A465-W491 HydrophobicContact CB-CH2 4.31Å; A465-W491 HydrophobicContact CB-CZ2 3.93Å; C478-W491 CarbonylContact C-O 3.56Å; C478-W491 VanDerWaalsContact CA-O 3.29Å; C478-W491 WeakPolarHBondContact CA-O 3.02Å; C478-W491 PolarHBondContact SG-O 2.91Å; V479-W491 HydrophobicContact CB-CB 4.28Å; V479-W491 PolarHBondContact N-O 3.02Å; V479-W491 VanDerWaalsContact O-CD1 3.31Å; V479-W491 PolarHBondContact O-N 3.29Å; S481-W491 PolarHBondContact OG-NE1 3.29Å; R489-W491 HydrophobicContact CB-CZ2 3.99Å; W491-S497 WeakPolarHBondContact CA-O 3.27Å; W491-I498 HydrophobicContact CD2-CB 4.4Å; W491-I498 HydrophobicContact CE3-CB 3.84Å; W491-I498 HydrophobicContact CH2-CB 4.33Å; W491-I498 HydrophobicContact CZ3-CB 3.8Å
492	D	93.6	Very high	95.2	Very high	35 Å²	35	56.4 Å²	56.4	19%	0.187	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	131.9	174.1	177.6	-69.9	0	0	0	109.3	R494 S495 E496 S497 V499	D492-R494 VanDerWaalsContact C-N 3.31Å; D492-R494 PolarHBondContact O-N 3.38Å; D492-R494 WeakPolarHBondContact OD1-CA 3.34Å; D492-R494 WeakPolarHBondContact OD1-CB 3.4Å; D492-R494 PolarHBondContact OD1-N 3.18Å; D492-S495 PolarHBondContact OD1-N 2.81Å; D492-E496 WeakPolarHBondContact O-CA 3.49Å; D492-E496 PolarHBondContact O-N 2.95Å; D492-S497 PolarHBondContact N-O 3.47Å; D492-V499 HydrophobicContact CB-CG1 3.65Å; D492-V499 HydrophobicContact CB-CG2 4.47Å
493	I	88.7	Confident	95.1	Very high	27 Å²	27	62.3 Å²	62.3	14%	0.138	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-22.8	-173.2	-66.5	172.7	0	0	0	112	L434 T475 Q477 V479	L434-I493 HydrophobicContact CD2-CD1 4.21Å; L434-I493 HydrophobicContact CD2-CG2 4.21Å; T475-I493 WeakPolarHBondContact O-CD1 3.42Å; Q477-I493 PolarHBondContact O-N 3.08Å; V479-I493 HydrophobicContact CG2-CD1 3.98Å; V479-I493 HydrophobicContact CG2-CG1 3.86Å
494	R	87.9	Confident	95	Very high	202 Å²	202	62.7 Å²	62.7	76%	0.762	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-39.8	-177.5	-59.9	-177.2	-63.9	173.5	-1.1	112.5	D492 E496	D492-R494 VanDerWaalsContact C-N 3.31Å; D492-R494 PolarHBondContact O-N 3.38Å; D492-R494 WeakPolarHBondContact OD1-CA 3.34Å; D492-R494 WeakPolarHBondContact OD1-CB 3.4Å; D492-R494 PolarHBondContact OD1-N 3.18Å; R494-E496 VanDerWaalsContact C-N 3.32Å
495	S	89.2	Confident	95	Very high	66 Å²	66	64.1 Å²	64.1	46%	0.462	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-11.7	171.4	70.3	0	0	0	0	112.9	D492 S497	D492-S495 PolarHBondContact OD1-N 2.81Å; S495-S497 PolarHBondContact O-N 2.89Å; S495-S497 VanDerWaalsContact O-N 3.17Å; S495-S497 PolarHBondContact OG-OG 3.41Å
496	E	87.2	Confident	94.9	Very high	79 Å²	79	62 Å²	62	37%	0.369	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	37.7	-179.6	-52.3	-172.9	137.8	0	0	113.7	K461 D492 R494	K461-E496 HydrophobicContact CD-CB 4.23Å; K461-E496 VanDerWaalsContact CD-OE2 3.29Å; K461-E496 WeakPolarHBondContact CD-OE2 3.5Å; K461-E496 WeakPolarHBondContact CE-OE2 3.46Å; K461-E496 PolarHBondContact NZ-O 3.41Å; K461-E496 IonicContact NZ-OE2 2.93Å; K461-E496 PolarHBondContact NZ-OE2 2.98Å; D492-E496 WeakPolarHBondContact O-CA 3.49Å; D492-E496 PolarHBondContact O-N 2.95Å; R494-E496 VanDerWaalsContact C-N 3.32Å
497	S	90	Very high	94.9	Very high	48 Å²	48	60.5 Å²	60.5	34%	0.336	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	157.6	-172.7	63.4	0	0	0	0	111.3	W491 D492 S495 V499	W491-S497 WeakPolarHBondContact CA-O 3.27Å; D492-S497 PolarHBondContact N-O 3.47Å; S495-S497 PolarHBondContact O-N 2.89Å; S495-S497 VanDerWaalsContact O-N 3.17Å; S495-S497 PolarHBondContact OG-OG 3.41Å; S497-V499 PolarHBondContact O-N 3Å
498	I	94.6	Very high	94.9	Very high	76 Å²	76	58.7 Å²	58.7	39%	0.39	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	125.3	172.2	-170.2	173	0	0	0	109.5	R489 F490 W491 R500 E501	R489-I498 HydrophobicContact CB-CD1 3.98Å; R489-I498 HydrophobicContact CG-CD1 3.85Å; F490-I498 WeakPolarHBondContact O-CA 3.48Å; W491-I498 HydrophobicContact CD2-CB 4.4Å; W491-I498 HydrophobicContact CE3-CB 3.84Å; W491-I498 HydrophobicContact CH2-CB 4.33Å; W491-I498 HydrophobicContact CZ3-CB 3.8Å; I498-R500 WeakPolarHBondContact CG1-O 3.47Å; I498-E501 HydrophobicContact CD1-CB 4.39Å
499	V	95.3	Very high	94.9	Very high	87 Å²	87	58.7 Å²	58.7	53%	0.527	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-21.1	177.3	-66.4	0	0	0	0	112.7	F490 D492 S497	F490-V499 HydrophobicContact CB-CG2 4.03Å; F490-V499 WeakPolarHBondContact O-CG2 3.41Å; F490-V499 PolarHBondContact O-N 3.43Å; D492-V499 HydrophobicContact CB-CG1 3.65Å; D492-V499 HydrophobicContact CB-CG2 4.47Å; S497-V499 PolarHBondContact O-N 3Å
500	R	94.6	Very high	94.9	Very high	117 Å²	117	57.9 Å²	57.9	44%	0.442	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	150.7	178.8	-172	-176.6	-60.1	-100.2	1.6	111.3	F490 I498 N537	F490-R500 HydrophobicContact CB-CB 4Å; F490-R500 HydrophobicContact CD2-CB 3.86Å; F490-R500 HydrophobicContact CD2-CG 4.06Å; F490-R500 HydrophobicContact CE2-CG 4.47Å; F490-R500 HydrophobicContact CG-CB 4.13Å; F490-R500 PolarHBondContact N-O 3.1Å; F490-R500 PolarHBondContact O-N 3.09Å; I498-R500 WeakPolarHBondContact CG1-O 3.47Å; R500-N537 WeakPolarHBondContact CD-OD1 3.36Å; R500-N537 PolarHBondContact NE-OD1 3Å; R500-N537 PolarHBondContact NH2-ND2 3.28Å
501	E	96.9	Very high	95	Very high	97 Å²	97	57.9 Å²	57.9	45%	0.453	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	153.3	158.2	55.4	169.1	-139.5	0	0	110.5	K487 I488 R489 I498	K487-E501 WeakPolarHBondContact CD-OE2 3.42Å; K487-E501 IonicContact NZ-OE1 3.02Å; K487-E501 PolarHBondContact NZ-OE1 3.09Å; K487-E501 IonicContact NZ-OE2 2.78Å; K487-E501 PolarHBondContact NZ-OE2 3.03Å; I488-E501 CarbonylContact O-C 3.53Å; I488-E501 WeakPolarHBondContact O-CA 3.13Å; R489-E501 HydrophobicContact CG-CB 4.34Å; R489-E501 IonicContact NH2-OE2 3.57Å; I498-E501 HydrophobicContact CD1-CB 4.39Å
502	M	97.1	Very high	95.1	Very high	33 Å²	33	58.7 Å²	58.7	16%	0.163	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	129.7	177.3	178.8	175.8	65.8	0	0	108.9	K487 I488 F490 L504 I532	K487-M502 CarbonylContact C-O 3.57Å; K487-M502 VanDerWaalsContact CA-O 3.3Å; K487-M502 WeakPolarHBondContact CA-O 3.28Å; I488-M502 HydrophobicContact CB-CE 4.43Å; I488-M502 HydrophobicContact CD1-CE 3.88Å; I488-M502 PolarHBondContact N-O 3.29Å; I488-M502 PolarHBondContact O-N 3.41Å; F490-M502 HydrophobicContact CE2-CB 4.22Å; F490-M502 HydrophobicContact CZ-CE 4.32Å; M502-L504 HydrophobicContact CE-CD1 4.16Å; M502-L504 HydrophobicContact CG-CD1 4.38Å; M502-I532 HydrophobicContact CE-CB 4.31Å; M502-I532 HydrophobicContact CE-CD1 3.56Å; M502-I532 HydrophobicContact CE-CG1 3.63Å; M502-I532 HydrophobicContact CE-CG2 4.01Å; M502-I532 HydrophobicContact SD-CG1 4.3Å; M502-I532 HydrophobicContact SD-CG2 4.24Å
503	E	97.6	Very high	95.3	Very high	124 Å²	124	57.9 Å²	57.9	58%	0.579	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	132.1	-174.8	-166.6	170.2	146.1	0	0	111.8	K486 K487	K486-E503 HydrophobicContact CB-CG 4.34Å; K487-E503 WeakPolarHBondContact CE-OE2 3.5Å; K487-E503 HydrophobicContact CG-CB 4.08Å; K487-E503 HydrophobicContact CG-CG 4.04Å; K487-E503 IonicContact NZ-OE2 3.54Å
504	L	96.7	Very high	95.7	Very high	8 Å²	8	57 Å²	57	4%	0.042	28%	0.28	C	S	.	.			trans	-105.6	175.9	173.4	-80.8	71.4	0	0	0	110.5	K486 I488 M502 I508 K530	K486-L504 VanDerWaalsContact CB-O 3.29Å; K486-L504 WeakPolarHBondContact CB-O 3.48Å; K486-L504 WeakPolarHBondContact CD-O 3.25Å; K486-L504 PolarHBondContact O-N 3.05Å; I488-L504 HydrophobicContact CD1-CD1 3.89Å; I488-L504 HydrophobicContact CG1-CD1 4.25Å; M502-L504 HydrophobicContact CE-CD1 4.16Å; M502-L504 HydrophobicContact CG-CD1 4.38Å; L504-I508 HydrophobicContact CB-CD1 3.91Å; L504-I508 HydrophobicContact CD1-CD1 4.2Å; L504-I508 HydrophobicContact CD2-CD1 3.84Å; L504-I508 HydrophobicContact CG-CD1 4.18Å; L504-K530 HydrophobicContact CD2-CD 3.97Å; L504-K530 HydrophobicContact CG-CD 4.3Å
505	L	96.9	Very high	96.1	Very high	125 Å²	125	50.2 Å²	50.2	65%	0.654	26%	0.262	S	S	*	.	S	Bend	trans	-85.9	-25.2	-173.3	-51.9	173	0	0	0	112.7	K486 D526	K486-L505 WeakPolarHBondContact CD-O 3.45Å; K486-L505 VanDerWaalsContact CE-O 3.27Å; K486-L505 WeakPolarHBondContact CE-O 3.27Å; K486-L505 PolarHBondContact NZ-O 3.12Å; L505-D526 HydrophobicContact CB-CB 4.22Å; L505-D526 WeakPolarHBondContact CB-OD2 3.47Å
506	G	97.7	Very high	96.4	Very high	7 Å²	7	52.6 Å²	52.6	7%	0.072	27%	0.266	C	S	.	.	S	Bend	trans	-115.1	166	173.7	0	0	0	0	0	113.5	K486 I508 D526	K486-G506 WeakPolarHBondContact CA-O 3.29Å; K486-G506 VanDerWaalsContact CB-O 3.25Å; K486-G506 WeakPolarHBondContact CB-O 3.33Å; G506-I508 PolarHBondContact O-N 2.95Å; G506-D526 PolarHBondContact N-OD2 3.07Å
507	K	98.6	Very high	96.8	Very high	53 Å²	53	54.1 Å²	54.1	23%	0.23	27%	0.268	C	S	.	.			trans	-57	138.7	170.9	-48.6	177.1	-172.2	163.6	0	109.1	F484 T509 S524 R525 D553	F484-K507 HydrophobicContact CD2-CD 3.8Å; F484-K507 HydrophobicContact CE2-CD 3.79Å; F484-K507 VanDerWaalsContact CE2-CE 3.44Å; F484-K507 HydrophobicContact CG-CD 4.22Å; F484-K507 HydrophobicContact CZ-CD 4.2Å; K507-T509 PolarHBondContact O-N 3.33Å; K507-S524 CarbonylContact O-C 3.55Å; K507-S524 WeakPolarHBondContact O-CA 3.4Å; K507-S524 VanDerWaalsContact O-CB 3.25Å; K507-S524 WeakPolarHBondContact O-CB 3.09Å; K507-R525 HydrophobicContact CB-CB 4.29Å; K507-R525 HydrophobicContact CB-CG 4Å; K507-R525 HydrophobicContact CD-CG 4.33Å; K507-R525 HydrophobicContact CG-CG 4.4Å; K507-R525 PolarHBondContact O-N 3.44Å; K507-D553 VanDerWaalsContact NZ-CG 3.34Å; K507-D553 IonicContact NZ-OD1 3.89Å; K507-D553 PolarHBondContact NZ-OD1 3.28Å; K507-D553 IonicContact NZ-OD2 3.83Å; K507-D553 PolarHBondContact NZ-OD2 2.91Å
508	I	98.8	Very high	97.1	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	127.5	176.1	-46.3	-56.9	0	0	0	108.9	N470 H483 I488 L504 G506 L511	N470-I508 WeakPolarHBondContact CB-O 3.29Å; N470-I508 PolarHBondContact ND2-O 3.49Å; H483-I508 PolarHBondContact O-N 3.09Å; I488-I508 HydrophobicContact CD1-CD1 4.28Å; I488-I508 HydrophobicContact CG1-CD1 3.88Å; I488-I508 HydrophobicContact CG1-CG1 3.96Å; L504-I508 HydrophobicContact CB-CD1 3.91Å; L504-I508 HydrophobicContact CD1-CD1 4.2Å; L504-I508 HydrophobicContact CD2-CD1 3.84Å; L504-I508 HydrophobicContact CG-CD1 4.18Å; G506-I508 PolarHBondContact O-N 2.95Å; I508-L511 HydrophobicContact CG2-CD2 3.92Å; I508-L511 HydrophobicContact CG2-CG 4.25Å
509	T	98.7	Very high	97.3	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-39	177.5	64.2	0	0	0	0	112.1	K507 C523 R525 D553 T555 R556	K507-T509 PolarHBondContact O-N 3.33Å; T509-C523 PolarHBondContact N-O 2.77Å; T509-C523 WeakPolarHBondContact OG1-CB 3.4Å; T509-C523 PolarHBondContact OG1-O 3.06Å; T509-C523 PolarHBondContact OG1-SG 3.01Å; T509-R525 VanDerWaalsContact CG2-CD 3.45Å; T509-R525 HydrophobicContact CG2-CG 3.72Å; T509-D553 WeakPolarHBondContact CA-O 3.43Å; T509-T555 WeakPolarHBondContact CB-O 3.37Å; T509-T555 PolarHBondContact OG1-O 3.01Å; T509-R556 PolarHBondContact O-NH1 2.9Å
510	A	98.7	Very high	97.5	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.008	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	157.9	-177.1	0	0	0	0	0	112.7	D471 C523 T555 R556 V557	D471-A510 WeakPolarHBondContact OD2-CA 3.24Å; A510-C523 PolarHBondContact O-N 3.06Å; A510-T555 VanDerWaalsContact CB-O 3.23Å; A510-T555 WeakPolarHBondContact CB-O 3.42Å; A510-R556 HydrophobicContact CB-CB 4.39Å; A510-V557 HydrophobicContact CB-CG2 4.4Å
511	L	98.9	Very high	97.7	Very high	6 Å²	6	43.3 Å²	43.3	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	141.8	172.8	-65.5	-178.3	0	0	0	109.1	D471 V473 M480 I488 I508 L520 L521	D471-L511 HydrophobicContact CB-CB 4.36Å; D471-L511 HydrophobicContact CB-CG 4.45Å; D471-L511 PolarHBondContact OD2-N 3.39Å; V473-L511 HydrophobicContact CG1-CB 3.96Å; V473-L511 VanDerWaalsContact CG1-O 3.28Å; V473-L511 WeakPolarHBondContact CG1-O 3.47Å; V473-L511 HydrophobicContact CG2-CB 4.08Å; V473-L511 HydrophobicContact CG2-CD1 4.43Å; M480-L511 HydrophobicContact CB-CD1 4.38Å; I488-L511 HydrophobicContact CD1-CD2 3.77Å; I488-L511 HydrophobicContact CG1-CD2 4.17Å; I488-L511 HydrophobicContact CG2-CD1 4.36Å; I508-L511 HydrophobicContact CG2-CD2 3.92Å; I508-L511 HydrophobicContact CG2-CG 4.25Å; L511-L520 HydrophobicContact CB-CD1 4.17Å; L511-L520 HydrophobicContact CD2-CD1 4.2Å; L511-L520 HydrophobicContact CD2-CD2 4.33Å; L511-L520 HydrophobicContact CD2-CG 4.39Å; L511-L521 WeakPolarHBondContact CA-O 3.38Å
512	D	98.8	Very high	97.8	Very high	42 Å²	42	38.7 Å²	38.7	23%	0.225	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	156.1	171.2	-170.5	35.3	0	0	0	111.1	L521 V558 F559	D512-L521 HydrophobicContact CB-CB 4.34Å; D512-L521 PolarHBondContact N-O 3.38Å; D512-L521 PolarHBondContact O-N 2.98Å; D512-V558 WeakPolarHBondContact OD2-CA 3.4Å; D512-F559 PolarHBondContact OD2-N 3.23Å
513	L	98.5	Very high	97.8	Very high	17 Å²	17	37.1 Å²	37.1	9%	0.089	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	141.9	177.9	-70	171.1	0	0	0	110.3	V473 C474 T475 M480 R517 L520 L534 F559	V473-L513 HydrophobicContact CB-CD1 3.92Å; V473-L513 HydrophobicContact CB-CG 3.93Å; V473-L513 HydrophobicContact CG2-CD1 4.08Å; V473-L513 HydrophobicContact CG2-CD2 4.16Å; V473-L513 HydrophobicContact CG2-CG 3.81Å; C474-L513 VanDerWaalsContact O-CD1 3.28Å; C474-L513 WeakPolarHBondContact O-CD1 3.43Å; T475-L513 HydrophobicContact CG2-CD1 3.87Å; M480-L513 HydrophobicContact CE-CD1 4.39Å; M480-L513 HydrophobicContact CE-CD2 3.98Å; L513-R517 HydrophobicContact CB-CG 4.48Å; L513-R517 HydrophobicContact CD1-CG 4.37Å; L513-L520 HydrophobicContact CD2-CB 4.34Å; L513-L520 HydrophobicContact CD2-CD1 3.97Å; L513-L534 HydrophobicContact CD2-CD1 3.84Å; L513-F559 VanDerWaalsContact C-CD2 3.44Å
514	N	97.8	Very high	97.9	Very high	8 Å²	8	31.2 Å²	31.2	4%	0.043	16%	0.158	C	C	.	.			trans	-63.9	162.1	168.9	73.1	-44.1	0	0	0	110.6	E516 R517 T518 E519 F559	N514-E516 PolarHBondContact ND2-OE2 3.42Å; N514-E516 PolarHBondContact O-N 3.24Å; N514-E516 VanDerWaalsContact O-N 3.14Å; N514-R517 WeakPolarHBondContact O-CA 3.41Å; N514-R517 PolarHBondContact O-N 3.01Å; N514-R517 WeakPolarHBondContact OD1-CA 3.37Å; N514-R517 PolarHBondContact OD1-N 3.39Å; N514-R517 VanDerWaalsContact OD1-N 3.17Å; N514-T518 PolarHBondContact ND2-OG1 2.94Å; N514-T518 PolarHBondContact OD1-N 3.01Å; N514-E519 HydrophobicContact CB-CB 4.32Å; N514-E519 PolarHBondContact N-O 3.49Å; N514-E519 VanDerWaalsContact N-O 3.14Å; N514-E519 PolarHBondContact OD1-N 3.38Å; N514-E519 PolarHBondContact OD1-O 2.85Å; N514-E519 VanDerWaalsContact OD1-O 3.14Å; N514-F559 HydrophobicContact CB-CD1 4.33Å; N514-F559 HydrophobicContact CB-CD2 3.99Å; N514-F559 HydrophobicContact CB-CE1 4.25Å; N514-F559 HydrophobicContact CB-CE2 3.86Å; N514-F559 HydrophobicContact CB-CG 4.19Å; N514-F559 HydrophobicContact CB-CZ 4.01Å; N514-F559 VanDerWaalsContact N-CD2 3.28Å; N514-F559 VanDerWaalsContact N-CE2 3.29Å
515	P	95.6	Very high	98	Very high	60 Å²	60	35.5 Å²	35.5	39%	0.39	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-37.2	-178	-25.7	34.1	0	0	0	113.8	R517 P561	P515-R517 VanDerWaalsContact C-N 3.27Å; P515-R517 PolarHBondContact O-N 2.68Å; P515-P561 VanDerWaalsContact CG-C 3.43Å; P515-P561 WeakPolarHBondContact CG-O 3.48Å
516	E	95.2	Very high	98	Very high	117 Å²	117	31.4 Å²	31.4	55%	0.547	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-8.1	178.9	-55.7	68.9	-149.2	0	0	113.5	N514 T518	N514-E516 PolarHBondContact ND2-OE2 3.42Å; N514-E516 PolarHBondContact O-N 3.24Å; N514-E516 VanDerWaalsContact O-N 3.14Å; E516-T518 HydrophobicContact CB-CG2 4.14Å; E516-T518 PolarHBondContact O-N 3.49Å
517	R	96.6	Very high	98	Very high	110 Å²	110	32.6 Å²	32.6	42%	0.415	16%	0.157	S	C	.	.	S	Bend	trans	54.8	31.7	-177.2	-53.3	-178.1	-172.2	-100.8	-6.4	114.2	C474 T475 L513 N514 P515 L534	C474-R517 PolarHBondContact O-NH1 2.73Å; T475-R517 HydrophobicContact CG2-CB 4.12Å; L513-R517 HydrophobicContact CB-CG 4.48Å; L513-R517 HydrophobicContact CD1-CG 4.37Å; N514-R517 WeakPolarHBondContact O-CA 3.41Å; N514-R517 PolarHBondContact O-N 3.01Å; N514-R517 WeakPolarHBondContact OD1-CA 3.37Å; N514-R517 PolarHBondContact OD1-N 3.39Å; N514-R517 VanDerWaalsContact OD1-N 3.17Å; P515-R517 VanDerWaalsContact C-N 3.27Å; P515-R517 PolarHBondContact O-N 2.68Å; R517-L534 WeakPolarHBondContact O-CD1 3.26Å
518	T	96.6	Very high	98	Very high	72 Å²	72	32 Å²	32	44%	0.442	16%	0.157	S	C	.	.	S	Bend	trans	-98.6	-16.9	177	51.2	0	0	0	0	113.1	N514 E516 L534	N514-T518 PolarHBondContact ND2-OG1 2.94Å; N514-T518 PolarHBondContact OD1-N 3.01Å; E516-T518 HydrophobicContact CB-CG2 4.14Å; E516-T518 PolarHBondContact O-N 3.49Å; T518-L534 WeakPolarHBondContact O-CB 3.43Å; T518-L534 PolarHBondContact O-N 2.85Å
519	E	98	Very high	98	Very high	30 Å²	30	32 Å²	32	14%	0.14	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	135.9	-174.1	-60.7	-174.2	-166.9	0	0	110.8	N514 V531 I532 K540 F559	N514-E519 HydrophobicContact CB-CB 4.32Å; N514-E519 PolarHBondContact N-O 3.49Å; N514-E519 VanDerWaalsContact N-O 3.14Å; N514-E519 PolarHBondContact OD1-N 3.38Å; N514-E519 PolarHBondContact OD1-O 2.85Å; N514-E519 VanDerWaalsContact OD1-O 3.14Å; E519-V531 HydrophobicContact CB-CG1 3.95Å; E519-V531 HydrophobicContact CG-CG1 4.41Å; E519-V531 WeakPolarHBondContact OE2-CG1 3.37Å; E519-I532 CarbonylContact C-O 3.58Å; E519-I532 WeakPolarHBondContact CA-O 3.47Å; E519-K540 HydrophobicContact CG-CD 4.3Å; E519-K540 IonicContact OE1-NZ 2.56Å; E519-K540 PolarHBondContact OE1-NZ 3.44Å; E519-K540 IonicContact OE2-NZ 3.71Å; E519-F559 HydrophobicContact CB-CZ 4.31Å
520	L	98.7	Very high	98	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	118	177.9	176.5	72.4	0	0	0	109.5	V473 M480 I488 F490 L511 L513 V531 I532 L534	V473-L520 HydrophobicContact CG2-CD1 3.55Å; M480-L520 HydrophobicContact SD-CD1 4.16Å; M480-L520 HydrophobicContact SD-CD2 3.99Å; I488-L520 HydrophobicContact CD1-CD2 4.25Å; I488-L520 HydrophobicContact CG2-CD2 3.99Å; F490-L520 HydrophobicContact CE1-CD2 4.37Å; F490-L520 HydrophobicContact CZ-CD2 4.24Å; L511-L520 HydrophobicContact CB-CD1 4.17Å; L511-L520 HydrophobicContact CD2-CD1 4.2Å; L511-L520 HydrophobicContact CD2-CD2 4.33Å; L511-L520 HydrophobicContact CD2-CG 4.39Å; L513-L520 HydrophobicContact CD2-CB 4.34Å; L513-L520 HydrophobicContact CD2-CD1 3.97Å; L520-V531 CarbonylContact O-C 3.55Å; L520-V531 WeakPolarHBondContact O-CA 3.49Å; L520-I532 HydrophobicContact CB-CB 4.42Å; L520-I532 HydrophobicContact CD2-CD1 4.44Å; L520-I532 PolarHBondContact N-O 3.47Å; L520-I532 PolarHBondContact O-N 3.39Å; L520-L534 HydrophobicContact CB-CD2 3.79Å; L520-L534 HydrophobicContact CB-CG 4.27Å; L520-L534 HydrophobicContact CD2-CD2 4.49Å
521	L	98.9	Very high	98	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	134.9	164.3	178.8	62.1	0	0	0	108.9	L511 D512 L529 K530 V531 F543 V557 F559 V566	L511-L521 WeakPolarHBondContact CA-O 3.38Å; D512-L521 HydrophobicContact CB-CB 4.34Å; D512-L521 PolarHBondContact N-O 3.38Å; D512-L521 PolarHBondContact O-N 2.98Å; L521-L529 HydrophobicContact CD1-CB 4.1Å; L521-L529 HydrophobicContact CD1-CD2 4.18Å; L521-L529 HydrophobicContact CD1-CG 4.29Å; L521-K530 WeakPolarHBondContact CA-O 3.45Å; L521-V531 HydrophobicContact CD1-CG2 4.34Å; L521-F543 HydrophobicContact CD1-CE2 4.48Å; L521-V557 HydrophobicContact CD2-CB 4.07Å; L521-V557 HydrophobicContact CD2-CG2 3.59Å; L521-V557 HydrophobicContact CG-CG2 3.77Å; L521-F559 HydrophobicContact CB-CD2 3.9Å; L521-F559 HydrophobicContact CB-CE2 3.37Å; L521-F559 HydrophobicContact CB-CZ 3.83Å; L521-F559 HydrophobicContact CD2-CD2 4.42Å; L521-V566 HydrophobicContact CD1-CG1 4.08Å; L521-V566 HydrophobicContact CD2-CB 4.04Å; L521-V566 HydrophobicContact CD2-CG1 3.72Å; L521-V566 HydrophobicContact CG-CG1 4.47Å
522	S	98.8	Very high	98	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.9	171.7	55.5	0	0	0	0	110.2	L529 K530 I532	S522-L529 CarbonylContact O-C 3.53Å; S522-L529 VanDerWaalsContact O-CA 3.24Å; S522-L529 WeakPolarHBondContact O-CA 3.44Å; S522-K530 PolarHBondContact N-O 2.9Å; S522-K530 PolarHBondContact O-N 3.39Å; S522-K530 PolarHBondContact OG-O 3.48Å; S522-I532 WeakPolarHBondContact OG-CD1 3.27Å
523	C	98.8	Very high	97.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	140.1	170.3	-179.1	0	0	0	0	109.3	T509 A510 L529 V557	T509-C523 PolarHBondContact N-O 2.77Å; T509-C523 WeakPolarHBondContact OG1-CB 3.4Å; T509-C523 PolarHBondContact OG1-O 3.06Å; T509-C523 PolarHBondContact OG1-SG 3.01Å; A510-C523 PolarHBondContact O-N 3.06Å; C523-L529 HydrophobicContact CB-CD1 4.15Å; C523-L529 HydrophobicContact CB-CG 4.22Å; C523-V557 HydrophobicContact CB-CB 4.28Å; C523-V557 HydrophobicContact CB-CG1 3.59Å; C523-V557 HydrophobicContact CB-CG2 3.61Å
524	S	98.4	Very high	97.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	159.4	-179.3	42.2	0	0	0	0	114.1	K507 D526 D527 L528	K507-S524 CarbonylContact O-C 3.55Å; K507-S524 WeakPolarHBondContact O-CA 3.4Å; K507-S524 VanDerWaalsContact O-CB 3.25Å; K507-S524 WeakPolarHBondContact O-CB 3.09Å; S524-D526 WeakPolarHBondContact CB-OD1 3.31Å; S524-D526 PolarHBondContact O-N 3.08Å; S524-D526 PolarHBondContact OG-OD1 3.17Å; S524-D527 PolarHBondContact O-N 3.07Å; S524-L528 PolarHBondContact N-O 2.97Å; S524-L528 VanDerWaalsContact N-O 3.16Å
525	R	98.3	Very high	97.6	Very high	98 Å²	98	42 Å²	42	37%	0.37	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	9.2	-179.2	-66.1	-56.6	-50.5	-87.1	12.2	115.3	K507 T509 C550 S552 D553	K507-R525 HydrophobicContact CB-CB 4.29Å; K507-R525 HydrophobicContact CB-CG 4Å; K507-R525 HydrophobicContact CD-CG 4.33Å; K507-R525 HydrophobicContact CG-CG 4.4Å; K507-R525 PolarHBondContact O-N 3.44Å; T509-R525 VanDerWaalsContact CG2-CD 3.45Å; T509-R525 HydrophobicContact CG2-CG 3.72Å; R525-C550 PolarHBondContact NE-O 3.11Å; R525-C550 PolarHBondContact NH2-O 2.95Å; R525-C550 VanDerWaalsContact NH2-O 3.09Å; R525-S552 WeakPolarHBondContact CD-O 3.43Å; R525-D553 WeakPolarHBondContact CG-OD1 3.33Å; R525-D553 IonicContact CZ-OD1 3.81Å; R525-D553 IonicContact NH1-OD1 3.22Å; R525-D553 PolarHBondContact NH1-OD1 3.38Å
526	D	97.4	Very high	97.5	Very high	39 Å²	39	42.2 Å²	42.2	21%	0.209	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	4.6	161.5	56.6	-6.3	0	0	0	112	L505 G506 S524 L528	L505-D526 HydrophobicContact CB-CB 4.22Å; L505-D526 WeakPolarHBondContact CB-OD2 3.47Å; G506-D526 PolarHBondContact N-OD2 3.07Å; S524-D526 WeakPolarHBondContact CB-OD1 3.31Å; S524-D526 PolarHBondContact O-N 3.08Å; S524-D526 PolarHBondContact OG-OD1 3.17Å; D526-L528 VanDerWaalsContact C-N 3.26Å; D526-L528 PolarHBondContact O-N 3.06Å; D526-L528 PolarHBondContact OD1-N 3.21Å
527	D	98.2	Very high	97.4	Very high	31 Å²	31	38.1 Å²	38.1	17%	0.166	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	29.6	-177.9	-47.9	-57.8	0	0	0	113.4	S524 F548 K549 C550	S524-D527 PolarHBondContact O-N 3.07Å; D527-F548 WeakPolarHBondContact O-CD1 3.48Å; D527-K549 HydrophobicContact CB-CD 3.96Å; D527-K549 WeakPolarHBondContact OD1-CA 3.26Å; D527-K549 WeakPolarHBondContact OD2-CD 3.26Å; D527-K549 WeakPolarHBondContact OD2-CE 3.31Å; D527-K549 IonicContact OD2-NZ 3.76Å; D527-K549 PolarHBondContact OD2-NZ 2.93Å; D527-C550 PolarHBondContact OD1-N 2.72Å
528	L	98.1	Very high	97.3	Very high	41 Å²	41	35.2 Å²	35.2	22%	0.215	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.1	176.3	-61.3	179.5	0	0	0	111	S524 D526 T542	S524-L528 PolarHBondContact N-O 2.97Å; S524-L528 VanDerWaalsContact N-O 3.16Å; D526-L528 VanDerWaalsContact C-N 3.26Å; D526-L528 PolarHBondContact O-N 3.06Å; D526-L528 PolarHBondContact OD1-N 3.21Å; L528-T542 HydrophobicContact CB-CG2 4.34Å; L528-T542 HydrophobicContact CD1-CG2 4.27Å; L528-T542 HydrophobicContact CD2-CG2 4.15Å; L528-T542 HydrophobicContact CG-CG2 4.5Å
529	L	98.6	Very high	97.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	140.7	160.9	-83.3	63.3	0	0	0	108.7	L521 S522 C523 T542 F543 F548 V557 V566 A568 W578	L521-L529 HydrophobicContact CD1-CB 4.1Å; L521-L529 HydrophobicContact CD1-CD2 4.18Å; L521-L529 HydrophobicContact CD1-CG 4.29Å; S522-L529 CarbonylContact O-C 3.53Å; S522-L529 VanDerWaalsContact O-CA 3.24Å; S522-L529 WeakPolarHBondContact O-CA 3.44Å; C523-L529 HydrophobicContact CB-CD1 4.15Å; C523-L529 HydrophobicContact CB-CG 4.22Å; L529-T542 CarbonylContact O-C 3.56Å; L529-T542 VanDerWaalsContact O-CA 3.31Å; L529-T542 WeakPolarHBondContact O-CA 3.48Å; L529-F543 HydrophobicContact CB-CB 4.17Å; L529-F543 HydrophobicContact CB-CD2 3.81Å; L529-F543 PolarHBondContact N-O 3.39Å; L529-F543 VanDerWaalsContact N-O 3.13Å; L529-F543 PolarHBondContact O-N 3.03Å; L529-F548 HydrophobicContact CD1-CD1 4.47Å; L529-F548 HydrophobicContact CD1-CE1 3.46Å; L529-F548 VanDerWaalsContact CD1-CE1 3.46Å; L529-F548 HydrophobicContact CD1-CZ 3.49Å; L529-F548 VanDerWaalsContact CD1-CZ 3.49Å; L529-V557 HydrophobicContact CD1-CG1 4.17Å; L529-V557 HydrophobicContact CD2-CB 4.12Å; L529-V557 HydrophobicContact CD2-CG1 4.01Å; L529-V557 HydrophobicContact CD2-CG2 4.46Å; L529-V557 HydrophobicContact CG-CG1 4.17Å; L529-V566 HydrophobicContact CD2-CG2 4.26Å; L529-A568 HydrophobicContact CD1-CB 4.24Å; L529-A568 HydrophobicContact CD2-CB 3.93Å; L529-W578 HydrophobicContact CD2-CZ3 4.18Å
530	K	98.7	Very high	97.3	Very high	27 Å²	27	39.2 Å²	39.2	12%	0.117	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	133.8	176.7	-62.4	-176.5	-174.5	174.5	0	111.1	L504 L521 S522 I532 V539 Q541 T542	L504-K530 HydrophobicContact CD2-CD 3.97Å; L504-K530 HydrophobicContact CG-CD 4.3Å; L521-K530 WeakPolarHBondContact CA-O 3.45Å; S522-K530 PolarHBondContact N-O 2.9Å; S522-K530 PolarHBondContact O-N 3.39Å; S522-K530 PolarHBondContact OG-O 3.48Å; K530-I532 HydrophobicContact CB-CD1 4.39Å; K530-V539 HydrophobicContact CB-CG1 4.19Å; K530-V539 HydrophobicContact CD-CG1 4.37Å; K530-V539 HydrophobicContact CD-CG2 4.31Å; K530-V539 HydrophobicContact CG-CG1 4.39Å; K530-Q541 WeakPolarHBondContact CA-O 3.4Å; K530-T542 HydrophobicContact CG-CG2 4.19Å
531	V	98.7	Very high	97.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	126.6	169	-175.8	0	0	0	0	108.6	E519 L520 L521 V539 K540 Q541 F543 F559	E519-V531 HydrophobicContact CB-CG1 3.95Å; E519-V531 HydrophobicContact CG-CG1 4.41Å; E519-V531 WeakPolarHBondContact OE2-CG1 3.37Å; L520-V531 CarbonylContact O-C 3.55Å; L520-V531 WeakPolarHBondContact O-CA 3.49Å; L521-V531 HydrophobicContact CD1-CG2 4.34Å; V531-V539 CarbonylContact O-C 3.55Å; V531-V539 WeakPolarHBondContact O-CA 3.44Å; V531-K540 HydrophobicContact CG1-CB 4.48Å; V531-K540 PolarHBondContact O-N 2.64Å; V531-Q541 HydrophobicContact CB-CB 4.18Å; V531-Q541 HydrophobicContact CG2-CB 4.22Å; V531-Q541 PolarHBondContact N-O 2.95Å; V531-F543 HydrophobicContact CG2-CE2 3.43Å; V531-F543 VanDerWaalsContact CG2-CE2 3.43Å; V531-F543 HydrophobicContact CG2-CZ 3.82Å; V531-F559 HydrophobicContact CG1-CZ 4.21Å; V531-F559 HydrophobicContact CG2-CE1 4.49Å; V531-F559 HydrophobicContact CG2-CZ 4.39Å
532	I	98.5	Very high	97.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.3	179.4	-59.6	115	0	0	0	109.3	I488 M502 E519 L520 S522 K530 L534 A538 V539	I488-I532 HydrophobicContact CD1-CD1 4.32Å; M502-I532 HydrophobicContact CE-CB 4.31Å; M502-I532 HydrophobicContact CE-CD1 3.56Å; M502-I532 HydrophobicContact CE-CG1 3.63Å; M502-I532 HydrophobicContact CE-CG2 4.01Å; M502-I532 HydrophobicContact SD-CG1 4.3Å; M502-I532 HydrophobicContact SD-CG2 4.24Å; E519-I532 CarbonylContact C-O 3.58Å; E519-I532 WeakPolarHBondContact CA-O 3.47Å; L520-I532 HydrophobicContact CB-CB 4.42Å; L520-I532 HydrophobicContact CD2-CD1 4.44Å; L520-I532 PolarHBondContact N-O 3.47Å; L520-I532 PolarHBondContact O-N 3.39Å; S522-I532 WeakPolarHBondContact OG-CD1 3.27Å; K530-I532 HydrophobicContact CB-CD1 4.39Å; I532-L534 PolarHBondContact O-N 2.9Å; I532-A538 WeakPolarHBondContact CA-O 3.26Å; I532-V539 HydrophobicContact CG1-CG2 4.08Å
533	D	97.2	Very high	97.2	Very high	24 Å²	24	44.6 Å²	44.6	13%	0.128	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	120.4	170.6	-179.9	-62.6	0	0	0	108.9	R535 T536 N537 A538 K540	D533-R535 VanDerWaalsContact C-N 3.32Å; D533-R535 PolarHBondContact O-N 3.45Å; D533-R535 WeakPolarHBondContact OD1-CA 3.38Å; D533-R535 WeakPolarHBondContact OD1-CB 3.36Å; D533-R535 PolarHBondContact OD1-N 3.06Å; D533-R535 IonicContact OD2-NH2 3.75Å; D533-T536 VanDerWaalsContact CB-OG1 3.31Å; D533-T536 WeakPolarHBondContact CB-OG1 3.47Å; D533-T536 VanDerWaalsContact CG-OG1 3.23Å; D533-T536 PolarHBondContact OD1-N 3.3Å; D533-T536 PolarHBondContact OD1-OG1 3.33Å; D533-T536 VanDerWaalsContact OD1-OG1 3.08Å; D533-N537 WeakPolarHBondContact O-CA 3.16Å; D533-N537 PolarHBondContact O-N 3.17Å; D533-A538 PolarHBondContact N-O 3.01Å; D533-K540 HydrophobicContact CB-CD 3.81Å; D533-K540 HydrophobicContact CB-CG 3.71Å
534	L	95.8	Very high	97.1	Very high	34 Å²	34	48 Å²	48	18%	0.178	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-21.5	-175.6	-68.8	178.3	0	0	0	113.9	M480 F490 L513 R517 T518 L520 I532 N537	M480-L534 HydrophobicContact CE-CD1 4.14Å; M480-L534 HydrophobicContact SD-CD1 4.19Å; M480-L534 HydrophobicContact SD-CD2 3.54Å; M480-L534 VanDerWaalsContact SD-CD2 3.54Å; F490-L534 HydrophobicContact CE1-CD2 3.79Å; L513-L534 HydrophobicContact CD2-CD1 3.84Å; R517-L534 WeakPolarHBondContact O-CD1 3.26Å; T518-L534 WeakPolarHBondContact O-CB 3.43Å; T518-L534 PolarHBondContact O-N 2.85Å; L520-L534 HydrophobicContact CB-CD2 3.79Å; L520-L534 HydrophobicContact CB-CG 4.27Å; L520-L534 HydrophobicContact CD2-CD2 4.49Å; I532-L534 PolarHBondContact O-N 2.9Å; L534-N537 PolarHBondContact O-ND2 2.88Å
535	R	94.3	Very high	97	Very high	198 Å²	198	48.7 Å²	48.7	75%	0.747	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-42.6	178.3	178.1	-169.9	60.7	81.5	6	111.2	D533	D533-R535 VanDerWaalsContact C-N 3.32Å; D533-R535 PolarHBondContact O-N 3.45Å; D533-R535 WeakPolarHBondContact OD1-CA 3.38Å; D533-R535 WeakPolarHBondContact OD1-CB 3.36Å; D533-R535 PolarHBondContact OD1-N 3.06Å; D533-R535 IonicContact OD2-NH2 3.75Å
536	T	94.8	Very high	96.9	Very high	65 Å²	65	50.6 Å²	50.6	40%	0.399	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-19.9	179.2	60.2	0	0	0	0	113.3	D533 A538	D533-T536 VanDerWaalsContact CB-OG1 3.31Å; D533-T536 WeakPolarHBondContact CB-OG1 3.47Å; D533-T536 VanDerWaalsContact CG-OG1 3.23Å; D533-T536 PolarHBondContact OD1-N 3.3Å; D533-T536 PolarHBondContact OD1-OG1 3.33Å; D533-T536 VanDerWaalsContact OD1-OG1 3.08Å; T536-A538 PolarHBondContact O-N 3.07Å
537	N	92	Very high	96.7	Very high	31 Å²	31	50.1 Å²	50.1	17%	0.166	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	58	36.8	-173.1	-61.3	-103.9	0	0	0	112.2	R500 D533 L534	R500-N537 WeakPolarHBondContact CD-OD1 3.36Å; R500-N537 PolarHBondContact NE-OD1 3Å; R500-N537 PolarHBondContact NH2-ND2 3.28Å; D533-N537 WeakPolarHBondContact O-CA 3.16Å; D533-N537 PolarHBondContact O-N 3.17Å; L534-N537 PolarHBondContact O-ND2 2.88Å
538	A	94.4	Very high	96.7	Very high	49 Å²	49	48.7 Å²	48.7	41%	0.405	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	145.4	178.3	0	0	0	0	0	110.8	I532 D533 T536 K540	I532-A538 WeakPolarHBondContact CA-O 3.26Å; D533-A538 PolarHBondContact N-O 3.01Å; T536-A538 PolarHBondContact O-N 3.07Å; A538-K540 PolarHBondContact O-N 3.24Å
539	V	97.1	Very high	96.7	Very high	70 Å²	70	51.4 Å²	51.4	42%	0.424	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	114.5	173	179.4	0	0	0	0	108.6	K530 V531 I532 Q541	K530-V539 HydrophobicContact CB-CG1 4.19Å; K530-V539 HydrophobicContact CD-CG1 4.37Å; K530-V539 HydrophobicContact CD-CG2 4.31Å; K530-V539 HydrophobicContact CG-CG1 4.39Å; V531-V539 CarbonylContact O-C 3.55Å; V531-V539 WeakPolarHBondContact O-CA 3.44Å; I532-V539 HydrophobicContact CG1-CG2 4.08Å; V539-Q541 WeakPolarHBondContact CG1-O 3.36Å
540	K	96.8	Very high	96.7	Very high	117 Å²	117	51.6 Å²	51.6	51%	0.509	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-42.7	175.7	-64.1	-173.9	69.5	175.4	0	112.1	E519 V531 D533 A538	E519-K540 HydrophobicContact CG-CD 4.3Å; E519-K540 IonicContact OE1-NZ 2.56Å; E519-K540 PolarHBondContact OE1-NZ 3.44Å; E519-K540 IonicContact OE2-NZ 3.71Å; V531-K540 HydrophobicContact CG1-CB 4.48Å; V531-K540 PolarHBondContact O-N 2.64Å; D533-K540 HydrophobicContact CB-CD 3.81Å; D533-K540 HydrophobicContact CB-CG 3.71Å; A538-K540 PolarHBondContact O-N 3.24Å
541	Q	97.6	Very high	96.6	Very high	53 Å²	53	51.6 Å²	51.6	25%	0.248	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	148.2	-170	-172.2	60.1	-79.1	0	0	110.2	K530 V531 V539 F543 V580	K530-Q541 WeakPolarHBondContact CA-O 3.4Å; V531-Q541 HydrophobicContact CB-CB 4.18Å; V531-Q541 HydrophobicContact CG2-CB 4.22Å; V531-Q541 PolarHBondContact N-O 2.95Å; V539-Q541 WeakPolarHBondContact CG1-O 3.36Å; Q541-F543 HydrophobicContact CB-CZ 4.23Å; Q541-F543 HydrophobicContact CG-CD1 4.02Å; Q541-F543 HydrophobicContact CG-CE1 3.4Å; Q541-F543 VanDerWaalsContact CG-CE1 3.4Å; Q541-F543 HydrophobicContact CG-CE2 4.24Å; Q541-F543 HydrophobicContact CG-CZ 3.53Å; Q541-V580 PolarHBondContact NE2-O 2.85Å
542	T	98.3	Very high	96.4	Very high	58 Å²	58	52 Å²	52	36%	0.356	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129	172.1	-61.9	0	0	0	0	109	L528 L529 K530	L528-T542 HydrophobicContact CB-CG2 4.34Å; L528-T542 HydrophobicContact CD1-CG2 4.27Å; L528-T542 HydrophobicContact CD2-CG2 4.15Å; L528-T542 HydrophobicContact CG-CG2 4.5Å; L529-T542 CarbonylContact O-C 3.56Å; L529-T542 VanDerWaalsContact O-CA 3.31Å; L529-T542 WeakPolarHBondContact O-CA 3.48Å; K530-T542 HydrophobicContact CG-CG2 4.19Å
543	F	98.5	Very high	96.3	Very high	1 Å²	1	53.7 Å²	53.7	0%	0.004	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	141.4	177.7	-43.5	-80.2	0	0	0	110.8	L521 L529 V531 Q541 V566 W578 V580	L521-F543 HydrophobicContact CD1-CE2 4.48Å; L529-F543 HydrophobicContact CB-CB 4.17Å; L529-F543 HydrophobicContact CB-CD2 3.81Å; L529-F543 PolarHBondContact N-O 3.39Å; L529-F543 VanDerWaalsContact N-O 3.13Å; L529-F543 PolarHBondContact O-N 3.03Å; V531-F543 HydrophobicContact CG2-CE2 3.43Å; V531-F543 VanDerWaalsContact CG2-CE2 3.43Å; V531-F543 HydrophobicContact CG2-CZ 3.82Å; Q541-F543 HydrophobicContact CB-CZ 4.23Å; Q541-F543 HydrophobicContact CG-CD1 4.02Å; Q541-F543 HydrophobicContact CG-CE1 3.4Å; Q541-F543 VanDerWaalsContact CG-CE1 3.4Å; Q541-F543 HydrophobicContact CG-CE2 4.24Å; Q541-F543 HydrophobicContact CG-CZ 3.53Å; F543-V566 HydrophobicContact CD1-CG2 4.4Å; F543-V566 HydrophobicContact CD2-CG2 3.6Å; F543-V566 HydrophobicContact CE1-CG2 4.25Å; F543-V566 HydrophobicContact CE2-CB 4.35Å; F543-V566 HydrophobicContact CE2-CG1 4.05Å; F543-V566 HydrophobicContact CE2-CG2 3.39Å; F543-V566 HydrophobicContact CG-CG2 4.09Å; F543-V566 HydrophobicContact CZ-CG1 4.42Å; F543-V566 HydrophobicContact CZ-CG2 3.77Å; F543-W578 HydrophobicContact CB-CB 4.48Å; F543-W578 HydrophobicContact CB-CD2 3.95Å; F543-W578 HydrophobicContact CB-CG 3.88Å; F543-W578 HydrophobicContact CD1-CB 3.58Å; F543-W578 AromaticContact CD1-CD1 3.98Å; F543-W578 AromaticContact CD1-CG 3.85Å; F543-W578 HydrophobicContact CD1-CG 3.85Å; F543-W578 HydrophobicContact CE1-CB 3.99Å; F543-W578 HydrophobicContact CG-CB 4.13Å; F543-W578 HydrophobicContact CG-CD2 4.44Å; F543-W578 HydrophobicContact CG-CG 4.07Å; F543-V580 HydrophobicContact CZ-CB 4.4Å; F543-V580 HydrophobicContact CZ-CG2 4.06Å
544	S	97.2	Very high	96.3	Very high	71 Å²	71	56.4 Å²	56.4	50%	0.497	31%	0.312	S	S	.	.			trans	-152.5	164.3	172.9	66.2	0	0	0	0	109.4	W578	S544-W578 PolarHBondContact O-NE1 2.87Å; S544-W578 VanDerWaalsContact O-NE1 3.07Å
545	A	97.4	Very high	96.4	Very high	16 Å²	16	54.8 Å²	54.8	13%	0.132	30%	0.304	C	S	.	.			trans	-151.3	150.4	167.5	0	0	0	0	0	108.6	G547 F548 Y576 W578 V585	A545-G547 VanDerWaalsContact C-N 3.26Å; A545-G547 PolarHBondContact O-N 3.49Å; A545-F548 HydrophobicContact CB-CB 3.97Å; A545-F548 PolarHBondContact O-N 3.23Å; A545-F548 VanDerWaalsContact O-N 3.07Å; A545-Y576 HydrophobicContact CB-CD1 3.79Å; A545-Y576 HydrophobicContact CB-CE1 3.55Å; A545-W578 HydrophobicContact CB-CZ2 4.23Å; A545-V585 HydrophobicContact CB-CG2 3.97Å
546	P	94.6	Very high	96.6	Very high	137 Å²	137	46.5 Å²	46.5	89%	0.89	27%	0.272	S	S	*	.	S	Bend	trans	-57.7	-33.3	-176.4	-28.2	36.2	0	0	0	115
547	G	94.5	Very high	96.8	Very high	30 Å²	30	43.6 Å²	43.6	31%	0.309	25%	0.254	S	S	.	.	S	Bend	trans	-87.5	-23	175.4	0	0	0	0	0	114.4	A545 K549 E572 Y576	A545-G547 VanDerWaalsContact C-N 3.26Å; A545-G547 PolarHBondContact O-N 3.49Å; G547-K549 PolarHBondContact O-N 2.97Å; G547-E572 VanDerWaalsContact O-OE2 3.09Å; G547-Y576 VanDerWaalsContact C-OH 3.24Å; G547-Y576 VanDerWaalsContact CA-OH 3.28Å; G547-Y576 WeakPolarHBondContact CA-OH 3.39Å
548	F	98.1	Very high	97.1	Very high	1 Å²	1	43.1 Å²	43.1	0%	0.004	25%	0.253	C	S	.	.			trans	-65.9	120	-176.2	176.2	-102.2	0	0	0	111.3	D527 L529 A545 A568 Y576 W578	D527-F548 WeakPolarHBondContact O-CD1 3.48Å; L529-F548 HydrophobicContact CD1-CD1 4.47Å; L529-F548 HydrophobicContact CD1-CE1 3.46Å; L529-F548 VanDerWaalsContact CD1-CE1 3.46Å; L529-F548 HydrophobicContact CD1-CZ 3.49Å; L529-F548 VanDerWaalsContact CD1-CZ 3.49Å; A545-F548 HydrophobicContact CB-CB 3.97Å; A545-F548 PolarHBondContact O-N 3.23Å; A545-F548 VanDerWaalsContact O-N 3.07Å; F548-A568 HydrophobicContact CD2-CB 4.35Å; F548-A568 HydrophobicContact CE2-CB 3.49Å; F548-A568 VanDerWaalsContact CE2-CB 3.49Å; F548-A568 HydrophobicContact CZ-CB 3.85Å; F548-Y576 HydrophobicContact CB-CD1 4.33Å; F548-Y576 HydrophobicContact CB-CD2 4.19Å; F548-Y576 HydrophobicContact CB-CE1 4.24Å; F548-Y576 HydrophobicContact CB-CE2 4.09Å; F548-Y576 HydrophobicContact CB-CG 4.32Å; F548-Y576 AromaticContact CD2-CD2 3.88Å; F548-Y576 HydrophobicContact CD2-CD2 3.88Å; F548-Y576 HydrophobicContact CD2-CE2 4.35Å; F548-Y576 HydrophobicContact CD2-CG 4.29Å; F548-Y576 PolarHBondContact N-OH 3.37Å; F548-W578 HydrophobicContact CB-CH2 4.35Å; F548-W578 HydrophobicContact CB-CZ2 4.24Å; F548-W578 HydrophobicContact CD1-CH2 4.28Å; F548-W578 HydrophobicContact CD1-CZ2 4.49Å; F548-W578 AromaticContact CD2-CH2 3.82Å; F548-W578 HydrophobicContact CD2-CH2 3.82Å; F548-W578 HydrophobicContact CE2-CH2 4.22Å; F548-W578 AromaticContact CG-CH2 3.86Å; F548-W578 HydrophobicContact CG-CH2 3.86Å; F548-W578 HydrophobicContact CG-CZ2 4.15Å
549	K	98.3	Very high	97.3	Very high	98 Å²	98	41.3 Å²	41.3	43%	0.426	24%	0.236	S	C	.	.			trans	-140.5	138.9	178.7	-66.3	-61.4	173.3	-162.4	0	111.5	D527 G547 G551 S570 A571	D527-K549 HydrophobicContact CB-CD 3.96Å; D527-K549 WeakPolarHBondContact OD1-CA 3.26Å; D527-K549 WeakPolarHBondContact OD2-CD 3.26Å; D527-K549 WeakPolarHBondContact OD2-CE 3.31Å; D527-K549 IonicContact OD2-NZ 3.76Å; D527-K549 PolarHBondContact OD2-NZ 2.93Å; G547-K549 PolarHBondContact O-N 2.97Å; K549-G551 PolarHBondContact O-N 2.91Å; K549-S570 CarbonylContact O-C 3.56Å; K549-S570 WeakPolarHBondContact O-CA 3.29Å; K549-A571 HydrophobicContact CB-CB 4Å; K549-A571 WeakPolarHBondContact O-CB 3.49Å; K549-A571 PolarHBondContact O-N 3.03Å
550	C	97.8	Very high	97.4	Very high	4 Å²	4	38 Å²	38	3%	0.027	22%	0.216	C	C	.	.			trans	-79.6	104.9	177.1	-67.2	0	0	0	0	110.7	R525 D527 S552	R525-C550 PolarHBondContact NE-O 3.11Å; R525-C550 PolarHBondContact NH2-O 2.95Å; R525-C550 VanDerWaalsContact NH2-O 3.09Å; D527-C550 PolarHBondContact OD1-N 2.72Å; C550-S552 VanDerWaalsContact C-N 3.31Å; C550-S552 PolarHBondContact O-N 2.97Å
551	G	95.9	Very high	97.4	Very high	27 Å²	27	34.6 Å²	34.6	28%	0.278	21%	0.206	S	C	.	.			trans	-82.6	-0.2	180	0	0	0	0	0	115.4	K549 S596 K614	K549-G551 PolarHBondContact O-N 2.91Å; G551-S596 WeakPolarHBondContact CA-OG 3.47Å; G551-K614 WeakPolarHBondContact O-CE 3.46Å
552	S	95.2	Very high	97.3	Very high	9 Å²	9	34.7 Å²	34.7	6%	0.063	21%	0.208	C	C	.	.	S	Bend	trans	-140.8	153.3	176.7	-169.7	0	0	0	0	111.4	R525 C550 W554 T555 N598	R525-S552 WeakPolarHBondContact CD-O 3.43Å; C550-S552 VanDerWaalsContact C-N 3.31Å; C550-S552 PolarHBondContact O-N 2.97Å; S552-W554 PolarHBondContact O-N 3.37Å; S552-W554 PolarHBondContact OG-N 3.09Å; S552-T555 PolarHBondContact N-OG1 2.89Å; S552-T555 PolarHBondContact O-OG1 3.47Å; S552-N598 WeakPolarHBondContact CB-OD1 3.28Å
553	D	97	Very high	97.3	Very high	35 Å²	35	32.6 Å²	32.6	19%	0.187	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-4.8	167.3	-92.4	-6.3	0	0	0	112	K507 T509 R525	K507-D553 VanDerWaalsContact NZ-CG 3.34Å; K507-D553 IonicContact NZ-OD1 3.89Å; K507-D553 PolarHBondContact NZ-OD1 3.28Å; K507-D553 IonicContact NZ-OD2 3.83Å; K507-D553 PolarHBondContact NZ-OD2 2.91Å; T509-D553 WeakPolarHBondContact CA-O 3.43Å; R525-D553 WeakPolarHBondContact CG-OD1 3.33Å; R525-D553 IonicContact CZ-OD1 3.81Å; R525-D553 IonicContact NH1-OD1 3.22Å; R525-D553 PolarHBondContact NH1-OD1 3.38Å
554	W	96.1	Very high	97.2	Very high	80 Å²	80	35.1 Å²	35.1	30%	0.303	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130	27.8	177.4	-46.6	-72.7	0	0	0	113.1	L429 S552 R556	L429-W554 HydrophobicContact CD2-CZ2 4.16Å; S552-W554 PolarHBondContact O-N 3.37Å; S552-W554 PolarHBondContact OG-N 3.09Å; W554-R556 WeakPolarHBondContact O-CD 3.42Å; W554-R556 PolarHBondContact O-N 3.1Å; W554-R556 PolarHBondContact O-NE 3.23Å
555	T	98.4	Very high	97.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.201	C	C	.	.			trans	-55.6	113.5	172.8	-68.4	0	0	0	0	109.7	T509 A510 S552 G569 N598	T509-T555 WeakPolarHBondContact CB-O 3.37Å; T509-T555 PolarHBondContact OG1-O 3.01Å; A510-T555 VanDerWaalsContact CB-O 3.23Å; A510-T555 WeakPolarHBondContact CB-O 3.42Å; S552-T555 PolarHBondContact N-OG1 2.89Å; S552-T555 PolarHBondContact O-OG1 3.47Å; T555-G569 WeakPolarHBondContact CG2-O 3.39Å; T555-N598 CarbonylContact C-O 3.56Å; T555-N598 VanDerWaalsContact CA-O 3.32Å; T555-N598 WeakPolarHBondContact CA-O 3.46Å
556	R	98.6	Very high	97.3	Very high	24 Å²	24	33.3 Å²	33.3	9%	0.091	20%	0.195	C	C	.	.			trans	-85.5	146.5	179.4	-46.9	-60.4	-175.1	-178.3	-3.6	111.3	T387 L429 N470 D471 T509 A510 W554 N598 A599	T387-R556 PolarHBondContact O-NH2 3Å; L429-R556 PolarHBondContact O-NH2 3.42Å; N470-R556 PolarHBondContact O-NH1 3.42Å; D471-R556 IonicContact OD1-NH1 2.71Å; D471-R556 IonicContact OD2-CZ 3.96Å; D471-R556 IonicContact OD2-NH1 3.94Å; D471-R556 PolarHBondContact OD2-NH1 3.29Å; T509-R556 PolarHBondContact O-NH1 2.9Å; A510-R556 HydrophobicContact CB-CB 4.39Å; W554-R556 WeakPolarHBondContact O-CD 3.42Å; W554-R556 PolarHBondContact O-N 3.1Å; W554-R556 PolarHBondContact O-NE 3.23Å; R556-N598 PolarHBondContact N-O 2.86Å; R556-A599 HydrophobicContact CB-CB 3.84Å; R556-A599 HydrophobicContact CG-CB 3.76Å
557	V	98.8	Very high	97.5	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.024	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	152.5	179.4	-58	0	0	0	0	108.2	A510 L521 C523 L529 A567 A568	A510-V557 HydrophobicContact CB-CG2 4.4Å; L521-V557 HydrophobicContact CD2-CB 4.07Å; L521-V557 HydrophobicContact CD2-CG2 3.59Å; L521-V557 HydrophobicContact CG-CG2 3.77Å; C523-V557 HydrophobicContact CB-CB 4.28Å; C523-V557 HydrophobicContact CB-CG1 3.59Å; C523-V557 HydrophobicContact CB-CG2 3.61Å; L529-V557 HydrophobicContact CD1-CG1 4.17Å; L529-V557 HydrophobicContact CD2-CB 4.12Å; L529-V557 HydrophobicContact CD2-CG1 4.01Å; L529-V557 HydrophobicContact CD2-CG2 4.46Å; L529-V557 HydrophobicContact CG-CG1 4.17Å; V557-A567 WeakPolarHBondContact CA-O 3.27Å; V557-A568 HydrophobicContact CB-CB 4.35Å; V557-A568 HydrophobicContact CG1-CB 3.56Å
558	V	98.8	Very high	97.7	Very high	22 Å²	22	25.4 Å²	25.4	13%	0.133	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	155.4	-178.9	-60	0	0	0	0	112.5	D512 V566 A567 V600 W602	D512-V558 WeakPolarHBondContact OD2-CA 3.4Å; V558-V566 CarbonylContact O-C 3.58Å; V558-V566 VanDerWaalsContact O-CA 3.31Å; V558-V566 WeakPolarHBondContact O-CA 3.29Å; V558-A567 HydrophobicContact CG2-CB 4.16Å; V558-A567 PolarHBondContact N-O 3.13Å; V558-A567 VanDerWaalsContact N-O 3.1Å; V558-A567 PolarHBondContact O-N 3.43Å; V558-V600 WeakPolarHBondContact CG1-O 3.4Å; V558-V600 HydrophobicContact CG2-CG2 4.1Å; V558-W602 HydrophobicContact CG2-CB 4.39Å
559	F	98.8	Very high	97.7	Very high	10 Å²	10	25.3 Å²	25.3	4%	0.044	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	160.1	159	-76.1	-80.2	0	0	0	111.8	D512 L513 N514 E519 L521 V531 Y565 V566 V580	D512-F559 PolarHBondContact OD2-N 3.23Å; L513-F559 VanDerWaalsContact C-CD2 3.44Å; N514-F559 HydrophobicContact CB-CD1 4.33Å; N514-F559 HydrophobicContact CB-CD2 3.99Å; N514-F559 HydrophobicContact CB-CE1 4.25Å; N514-F559 HydrophobicContact CB-CE2 3.86Å; N514-F559 HydrophobicContact CB-CG 4.19Å; N514-F559 HydrophobicContact CB-CZ 4.01Å; N514-F559 VanDerWaalsContact N-CD2 3.28Å; N514-F559 VanDerWaalsContact N-CE2 3.29Å; E519-F559 HydrophobicContact CB-CZ 4.31Å; L521-F559 HydrophobicContact CB-CD2 3.9Å; L521-F559 HydrophobicContact CB-CE2 3.37Å; L521-F559 HydrophobicContact CB-CZ 3.83Å; L521-F559 HydrophobicContact CD2-CD2 4.42Å; V531-F559 HydrophobicContact CG1-CZ 4.21Å; V531-F559 HydrophobicContact CG2-CE1 4.49Å; V531-F559 HydrophobicContact CG2-CZ 4.39Å; F559-Y565 CarbonylContact C-O 3.5Å; F559-Y565 WeakPolarHBondContact CA-O 3.41Å; F559-V566 HydrophobicContact CD1-CG1 3.58Å; F559-V566 HydrophobicContact CE1-CG1 3.76Å; F559-V566 HydrophobicContact CG-CG1 4.23Å; F559-V580 HydrophobicContact CD1-CG2 4.28Å; F559-V580 HydrophobicContact CE1-CG2 4.09Å
560	S	98.3	Very high	97.7	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.014	12%	0.117	C	C	.	.			trans	-70.7	157.8	157.6	56.5	0	0	0	0	111.2	D562 G563 S564 Y565	S560-D562 VanDerWaalsContact CB-OD1 3.24Å; S560-D562 WeakPolarHBondContact CB-OD1 3.43Å; S560-D562 PolarHBondContact O-N 3.39Å; S560-D562 PolarHBondContact OG-OD1 3.43Å; S560-G563 PolarHBondContact O-N 3.29Å; S560-S564 PolarHBondContact OG-N 3.47Å; S560-Y565 PolarHBondContact N-O 3.31Å; S560-Y565 PolarHBondContact OG-N 3.49Å; S560-Y565 PolarHBondContact OG-O 2.91Å
561	P	97.3	Very high	97.7	Very high	45 Å²	45	22.4 Å²	22.4	29%	0.292	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	1	-176.6	32.2	-40	0	0	0	114.7	V325 P515 S603	V325-P561 HydrophobicContact CG2-CG 3.73Å; P515-P561 VanDerWaalsContact CG-C 3.43Å; P515-P561 WeakPolarHBondContact CG-O 3.48Å; P561-S603 WeakPolarHBondContact CG-O 3.31Å
562	D	96.2	Very high	97.8	Very high	55 Å²	55	25.2 Å²	25.2	29%	0.294	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	2.1	170.4	71.6	-26.3	0	0	0	113.1	V325 S560 S564	V325-D562 HydrophobicContact CB-CB 4.46Å; V325-D562 HydrophobicContact CG2-CB 3.71Å; V325-D562 VanDerWaalsContact CG2-CG 3.41Å; S560-D562 VanDerWaalsContact CB-OD1 3.24Å; S560-D562 WeakPolarHBondContact CB-OD1 3.43Å; S560-D562 PolarHBondContact O-N 3.39Å; S560-D562 PolarHBondContact OG-OD1 3.43Å; D562-S564 VanDerWaalsContact CG-OG 3.25Å; D562-S564 PolarHBondContact O-N 2.97Å; D562-S564 VanDerWaalsContact O-N 3.14Å; D562-S564 PolarHBondContact OD1-N 3.06Å; D562-S564 VanDerWaalsContact OD1-N 3.12Å; D562-S564 WeakPolarHBondContact OD2-CB 3.43Å; D562-S564 PolarHBondContact OD2-OG 3.47Å
563	G	96.8	Very high	97.9	Very high	14 Å²	14	24.9 Å²	24.9	14%	0.144	14%	0.135	C	C	.	.	S	Bend	trans	69.9	-1.8	-176.5	0	0	0	0	0	116	S560 Y565 V580	S560-G563 PolarHBondContact O-N 3.29Å; G563-Y565 VanDerWaalsContact C-N 3.34Å; G563-Y565 PolarHBondContact O-N 2.86Å; G563-V580 WeakPolarHBondContact O-CG2 3.49Å
564	S	96.9	Very high	98	Very high	53 Å²	53	23.7 Å²	23.7	37%	0.371	13%	0.13	S	C	.	.	S	Bend	trans	-71.7	-24.3	-175.8	-63.5	0	0	0	0	114.4	S560 D562 V580	S560-S564 PolarHBondContact OG-N 3.47Å; D562-S564 VanDerWaalsContact CG-OG 3.25Å; D562-S564 PolarHBondContact O-N 2.97Å; D562-S564 VanDerWaalsContact O-N 3.14Å; D562-S564 PolarHBondContact OD1-N 3.06Å; D562-S564 VanDerWaalsContact OD1-N 3.12Å; D562-S564 WeakPolarHBondContact OD2-CB 3.43Å; D562-S564 PolarHBondContact OD2-OG 3.47Å; S564-V580 WeakPolarHBondContact O-CB 3.39Å; S564-V580 PolarHBondContact O-N 3.24Å
565	Y	98.4	Very high	98.1	Very high	50 Å²	50	19.9 Å²	19.9	20%	0.196	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	159.1	-174.1	-54.5	-79.3	0	0	0	111.9	V325 V327 F559 S560 G563 I577 W578 E586 W602	V325-Y565 HydrophobicContact CG1-CD2 4.09Å; V325-Y565 HydrophobicContact CG1-CE2 4.28Å; V327-Y565 HydrophobicContact CG2-CD1 3.71Å; V327-Y565 HydrophobicContact CG2-CD2 4.15Å; V327-Y565 HydrophobicContact CG2-CE1 3.35Å; V327-Y565 HydrophobicContact CG2-CE2 3.81Å; V327-Y565 HydrophobicContact CG2-CG 4.1Å; F559-Y565 CarbonylContact C-O 3.5Å; F559-Y565 WeakPolarHBondContact CA-O 3.41Å; S560-Y565 PolarHBondContact N-O 3.31Å; S560-Y565 PolarHBondContact OG-N 3.49Å; S560-Y565 PolarHBondContact OG-O 2.91Å; G563-Y565 VanDerWaalsContact C-N 3.34Å; G563-Y565 PolarHBondContact O-N 2.86Å; Y565-I577 HydrophobicContact CD1-CG2 4.36Å; Y565-I577 HydrophobicContact CG-CG2 4.43Å; Y565-W578 CarbonylContact C-O 3.58Å; Y565-W578 WeakPolarHBondContact CA-O 3.46Å; Y565-W578 WeakPolarHBondContact CB-O 3.28Å; Y565-E586 HydrophobicContact CD1-CG 4.23Å; Y565-E586 HydrophobicContact CE1-CG 3.99Å; Y565-W602 HydrophobicContact CD2-CH2 4.21Å; Y565-W602 HydrophobicContact CG-CH2 4.23Å
566	V	98.7	Very high	98.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	144	165.2	-64.2	0	0	0	0	110.5	L521 L529 F543 V558 F559 I577 W578 V580	L521-V566 HydrophobicContact CD1-CG1 4.08Å; L521-V566 HydrophobicContact CD2-CB 4.04Å; L521-V566 HydrophobicContact CD2-CG1 3.72Å; L521-V566 HydrophobicContact CG-CG1 4.47Å; L529-V566 HydrophobicContact CD2-CG2 4.26Å; F543-V566 HydrophobicContact CD1-CG2 4.4Å; F543-V566 HydrophobicContact CD2-CG2 3.6Å; F543-V566 HydrophobicContact CE1-CG2 4.25Å; F543-V566 HydrophobicContact CE2-CB 4.35Å; F543-V566 HydrophobicContact CE2-CG1 4.05Å; F543-V566 HydrophobicContact CE2-CG2 3.39Å; F543-V566 HydrophobicContact CG-CG2 4.09Å; F543-V566 HydrophobicContact CZ-CG1 4.42Å; F543-V566 HydrophobicContact CZ-CG2 3.77Å; V558-V566 CarbonylContact O-C 3.58Å; V558-V566 VanDerWaalsContact O-CA 3.31Å; V558-V566 WeakPolarHBondContact O-CA 3.29Å; F559-V566 HydrophobicContact CD1-CG1 3.58Å; F559-V566 HydrophobicContact CE1-CG1 3.76Å; F559-V566 HydrophobicContact CG-CG1 4.23Å; V566-I577 VanDerWaalsContact O-CA 3.31Å; V566-I577 WeakPolarHBondContact O-CA 3.38Å; V566-W578 HydrophobicContact CG2-CB 4Å; V566-W578 HydrophobicContact CG2-CE3 4.1Å; V566-W578 PolarHBondContact N-O 2.73Å; V566-W578 PolarHBondContact O-N 2.77Å; V566-V580 HydrophobicContact CG1-CG2 3.81Å
567	A	98.8	Very high	98.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	138.7	179	0	0	0	0	0	111	V557 V558 L575 Y576 I577 V600 W602	V557-A567 WeakPolarHBondContact CA-O 3.27Å; V558-A567 HydrophobicContact CG2-CB 4.16Å; V558-A567 PolarHBondContact N-O 3.13Å; V558-A567 VanDerWaalsContact N-O 3.1Å; V558-A567 PolarHBondContact O-N 3.43Å; A567-L575 HydrophobicContact CB-CD1 4.3Å; A567-Y576 WeakPolarHBondContact CA-O 3.36Å; A567-I577 HydrophobicContact CB-CG1 4.26Å; A567-V600 HydrophobicContact CB-CG2 4.31Å; A567-V600 WeakPolarHBondContact O-CG2 3.47Å; A567-W602 HydrophobicContact CB-CE3 4.22Å; A567-W602 HydrophobicContact CB-CZ3 4.28Å
568	A	98.8	Very high	98.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	139.6	174	0	0	0	0	0	112.2	L529 F548 V557 Y576 W578	L529-A568 HydrophobicContact CD1-CB 4.24Å; L529-A568 HydrophobicContact CD2-CB 3.93Å; F548-A568 HydrophobicContact CD2-CB 4.35Å; F548-A568 HydrophobicContact CE2-CB 3.49Å; F548-A568 VanDerWaalsContact CE2-CB 3.49Å; F548-A568 HydrophobicContact CZ-CB 3.85Å; V557-A568 HydrophobicContact CB-CB 4.35Å; V557-A568 HydrophobicContact CG1-CB 3.56Å; A568-Y576 PolarHBondContact N-O 3.37Å; A568-Y576 PolarHBondContact O-N 3.4Å; A568-W578 HydrophobicContact CB-CH2 4.08Å; A568-W578 HydrophobicContact CB-CZ3 3.69Å
569	G	98.4	Very high	98	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	139.7	170.7	0	0	0	0	0	112.3	T555	T555-G569 WeakPolarHBondContact CG2-O 3.39Å
570	S	98.4	Very high	98	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.114	C	C	.	.			trans	-107.8	166.2	-178.6	80.2	0	0	0	0	114.4	K549 E572 G573 S574 I597	K549-S570 CarbonylContact O-C 3.56Å; K549-S570 WeakPolarHBondContact O-CA 3.29Å; S570-E572 VanDerWaalsContact C-N 3.33Å; S570-E572 WeakPolarHBondContact CB-OE2 3.49Å; S570-E572 PolarHBondContact O-N 3.48Å; S570-E572 PolarHBondContact OG-OE1 3.44Å; S570-E572 PolarHBondContact OG-OE2 3.26Å; S570-G573 PolarHBondContact O-N 3.19Å; S570-S574 WeakPolarHBondContact CB-O 3.45Å; S570-S574 PolarHBondContact N-O 3.44Å; S570-S574 PolarHBondContact OG-N 3.07Å; S570-S574 VanDerWaalsContact OG-N 3.12Å; S570-S574 PolarHBondContact OG-O 3.09Å; S570-I597 PolarHBondContact O-N 2.87Å
571	A	98.1	Very high	97.9	Very high	40 Å²	40	26.9 Å²	26.9	33%	0.331	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-32.2	178.1	0	0	0	0	0	113.7	K549 G573 S596	K549-A571 HydrophobicContact CB-CB 4Å; K549-A571 WeakPolarHBondContact O-CB 3.49Å; K549-A571 PolarHBondContact O-N 3.03Å; A571-G573 VanDerWaalsContact C-N 3.27Å; A571-G573 PolarHBondContact O-N 3.05Å; A571-S596 WeakPolarHBondContact O-CA 3.47Å; A571-S596 PolarHBondContact O-N 2.97Å
572	E	97	Very high	97.8	Very high	87 Å²	87	28 Å²	28	41%	0.407	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	6.8	177.3	81.9	-78.1	-170.8	0	0	114.3	G547 S570 Y576	G547-E572 VanDerWaalsContact O-OE2 3.09Å; S570-E572 VanDerWaalsContact C-N 3.33Å; S570-E572 WeakPolarHBondContact CB-OE2 3.49Å; S570-E572 PolarHBondContact O-N 3.48Å; S570-E572 PolarHBondContact OG-OE1 3.44Å; S570-E572 PolarHBondContact OG-OE2 3.26Å; E572-Y576 WeakPolarHBondContact OE1-CE2 3.42Å; E572-Y576 PolarHBondContact OE1-OH 3.02Å
573	G	97.4	Very high	97.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.01	16%	0.156	C	C	.	.	S	Bend	trans	80.8	25.8	178.4	0	0	0	0	0	114.2	S570 A571 S595	S570-G573 PolarHBondContact O-N 3.19Å; A571-G573 VanDerWaalsContact C-N 3.27Å; A571-G573 PolarHBondContact O-N 3.05Å; G573-S595 WeakPolarHBondContact CA-O 3.44Å
574	S	98.3	Very high	97.9	Very high	11 Å²	11	32.6 Å²	32.6	8%	0.077	18%	0.179	C	C	.	.			trans	-108.7	135.2	175.7	-64.3	0	0	0	0	111.6	S570 L589 S590	S570-S574 WeakPolarHBondContact CB-O 3.45Å; S570-S574 PolarHBondContact N-O 3.44Å; S570-S574 PolarHBondContact OG-N 3.07Å; S570-S574 VanDerWaalsContact OG-N 3.12Å; S570-S574 PolarHBondContact OG-O 3.09Å; S574-L589 CarbonylContact C-O 3.58Å; S574-L589 WeakPolarHBondContact CA-O 3.49Å; S574-S590 WeakPolarHBondContact OG-CB 3.38Å
575	L	98.6	Very high	97.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	114.7	171.7	168.7	63.2	0	0	0	108.6	A567 I577 L589 I597 V600 V609 W621	A567-L575 HydrophobicContact CB-CD1 4.3Å; L575-I577 HydrophobicContact CG-CG1 4.46Å; L575-L589 HydrophobicContact CB-CB 4.18Å; L575-L589 HydrophobicContact CD2-CD1 4.04Å; L575-L589 PolarHBondContact N-O 3.09Å; L575-L589 PolarHBondContact O-N 3.03Å; L575-I597 HydrophobicContact CB-CD1 4.21Å; L575-V600 HydrophobicContact CD1-CB 4.45Å; L575-V600 HydrophobicContact CD1-CG1 3.7Å; L575-V609 HydrophobicContact CD2-CG1 3.84Å; L575-W621 HydrophobicContact CB-CZ2 4.49Å; L575-W621 VanDerWaalsContact CD2-CD1 3.47Å; L575-W621 HydrophobicContact CD2-CD2 4.22Å; L575-W621 HydrophobicContact CD2-CG 3.96Å
576	Y	98.7	Very high	97.9	Very high	14 Å²	14	34.6 Å²	34.6	6%	0.055	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	138.9	176.7	-71.3	-102.5	0	0	0	110.1	A545 G547 F548 A567 A568 E572 W578 V588	A545-Y576 HydrophobicContact CB-CD1 3.79Å; A545-Y576 HydrophobicContact CB-CE1 3.55Å; G547-Y576 VanDerWaalsContact C-OH 3.24Å; G547-Y576 VanDerWaalsContact CA-OH 3.28Å; G547-Y576 WeakPolarHBondContact CA-OH 3.39Å; F548-Y576 HydrophobicContact CB-CD1 4.33Å; F548-Y576 HydrophobicContact CB-CD2 4.19Å; F548-Y576 HydrophobicContact CB-CE1 4.24Å; F548-Y576 HydrophobicContact CB-CE2 4.09Å; F548-Y576 HydrophobicContact CB-CG 4.32Å; F548-Y576 AromaticContact CD2-CD2 3.88Å; F548-Y576 HydrophobicContact CD2-CD2 3.88Å; F548-Y576 HydrophobicContact CD2-CE2 4.35Å; F548-Y576 HydrophobicContact CD2-CG 4.29Å; F548-Y576 PolarHBondContact N-OH 3.37Å; A567-Y576 WeakPolarHBondContact CA-O 3.36Å; A568-Y576 PolarHBondContact N-O 3.37Å; A568-Y576 PolarHBondContact O-N 3.4Å; E572-Y576 WeakPolarHBondContact OE1-CE2 3.42Å; E572-Y576 PolarHBondContact OE1-OH 3.02Å; Y576-W578 HydrophobicContact CD1-CH2 4.37Å; Y576-W578 HydrophobicContact CD1-CZ2 4.17Å; Y576-W578 AromaticContact CG-CH2 3.93Å; Y576-W578 HydrophobicContact CG-CH2 3.93Å; Y576-W578 HydrophobicContact CG-CZ2 4.2Å; Y576-W578 HydrophobicContact CG-CZ3 4.49Å; Y576-V588 HydrophobicContact CD1-CB 4.45Å; Y576-V588 HydrophobicContact CD1-CG1 4.14Å; Y576-V588 HydrophobicContact CD1-CG2 3.66Å; Y576-V588 HydrophobicContact CD2-CG1 4.5Å; Y576-V588 HydrophobicContact CE1-CB 4.33Å; Y576-V588 HydrophobicContact CE1-CG1 3.75Å; Y576-V588 HydrophobicContact CE1-CG2 3.6Å; Y576-V588 HydrophobicContact CE2-CG1 4.15Å; Y576-V588 HydrophobicContact CG-CG1 4.48Å
577	I	98.6	Very high	97.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	128.8	172.9	-55	177.9	0	0	0	108.9	V327 P328 Y565 V566 A567 L575 E586 K587 L589 W602	V327-I577 HydrophobicContact CG1-CB 4.17Å; V327-I577 HydrophobicContact CG1-CD1 3.86Å; V327-I577 HydrophobicContact CG1-CG2 3.93Å; P328-I577 HydrophobicContact CG-CD1 3.62Å; Y565-I577 HydrophobicContact CD1-CG2 4.36Å; Y565-I577 HydrophobicContact CG-CG2 4.43Å; V566-I577 VanDerWaalsContact O-CA 3.31Å; V566-I577 WeakPolarHBondContact O-CA 3.38Å; A567-I577 HydrophobicContact CB-CG1 4.26Å; L575-I577 HydrophobicContact CG-CG1 4.46Å; I577-E586 PolarHBondContact O-N 3.09Å; I577-K587 PolarHBondContact N-O 2.86Å; I577-K587 PolarHBondContact O-N 3.06Å; I577-L589 HydrophobicContact CD1-CD1 4.43Å; I577-W602 HydrophobicContact CD1-CH2 4.28Å; I577-W602 HydrophobicContact CD1-CZ3 4.38Å; I577-W602 HydrophobicContact CG2-CH2 4.08Å; I577-W602 HydrophobicContact CG2-CZ3 4.04Å
578	W	98.7	Very high	97.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	148	177.1	-60.4	-107.4	0	0	0	111	L529 F543 S544 A545 F548 Y565 V566 A568 Y576 K584 V585	L529-W578 HydrophobicContact CD2-CZ3 4.18Å; F543-W578 HydrophobicContact CB-CB 4.48Å; F543-W578 HydrophobicContact CB-CD2 3.95Å; F543-W578 HydrophobicContact CB-CG 3.88Å; F543-W578 HydrophobicContact CD1-CB 3.58Å; F543-W578 AromaticContact CD1-CD1 3.98Å; F543-W578 AromaticContact CD1-CG 3.85Å; F543-W578 HydrophobicContact CD1-CG 3.85Å; F543-W578 HydrophobicContact CE1-CB 3.99Å; F543-W578 HydrophobicContact CG-CB 4.13Å; F543-W578 HydrophobicContact CG-CD2 4.44Å; F543-W578 HydrophobicContact CG-CG 4.07Å; S544-W578 PolarHBondContact O-NE1 2.87Å; S544-W578 VanDerWaalsContact O-NE1 3.07Å; A545-W578 HydrophobicContact CB-CZ2 4.23Å; F548-W578 HydrophobicContact CB-CH2 4.35Å; F548-W578 HydrophobicContact CB-CZ2 4.24Å; F548-W578 HydrophobicContact CD1-CH2 4.28Å; F548-W578 HydrophobicContact CD1-CZ2 4.49Å; F548-W578 AromaticContact CD2-CH2 3.82Å; F548-W578 HydrophobicContact CD2-CH2 3.82Å; F548-W578 HydrophobicContact CE2-CH2 4.22Å; F548-W578 AromaticContact CG-CH2 3.86Å; F548-W578 HydrophobicContact CG-CH2 3.86Å; F548-W578 HydrophobicContact CG-CZ2 4.15Å; Y565-W578 CarbonylContact C-O 3.58Å; Y565-W578 WeakPolarHBondContact CA-O 3.46Å; Y565-W578 WeakPolarHBondContact CB-O 3.28Å; V566-W578 HydrophobicContact CG2-CB 4Å; V566-W578 HydrophobicContact CG2-CE3 4.1Å; V566-W578 PolarHBondContact N-O 2.73Å; V566-W578 PolarHBondContact O-N 2.77Å; A568-W578 HydrophobicContact CB-CH2 4.08Å; A568-W578 HydrophobicContact CB-CZ3 3.69Å; Y576-W578 HydrophobicContact CD1-CH2 4.37Å; Y576-W578 HydrophobicContact CD1-CZ2 4.17Å; Y576-W578 AromaticContact CG-CH2 3.93Å; Y576-W578 HydrophobicContact CG-CH2 3.93Å; Y576-W578 HydrophobicContact CG-CZ2 4.2Å; Y576-W578 HydrophobicContact CG-CZ3 4.49Å; W578-K584 CarbonylContact C-O 3.6Å; W578-K584 WeakPolarHBondContact CA-O 3.41Å; W578-K584 WeakPolarHBondContact CB-O 3.43Å; W578-V585 HydrophobicContact CG-CG2 4.43Å; W578-V585 VanDerWaalsContact NE1-CG2 3.3Å
579	S	98	Very high	97.7	Very high	11 Å²	11	42.2 Å²	42.2	8%	0.077	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	125.1	167.4	163.3	0	0	0	0	109.9	T582 G583 K584 E586	S579-T582 VanDerWaalsContact CB-OG1 3.3Å; S579-T582 WeakPolarHBondContact CB-OG1 3.45Å; S579-T582 PolarHBondContact O-N 3.45Å; S579-T582 PolarHBondContact OG-N 2.98Å; S579-T582 PolarHBondContact OG-OG1 3.02Å; S579-G583 WeakPolarHBondContact O-CA 3.47Å; S579-G583 PolarHBondContact O-N 3.21Å; S579-K584 PolarHBondContact N-O 3.49Å; S579-E586 VanDerWaalsContact CB-OE1 3.23Å; S579-E586 WeakPolarHBondContact CB-OE1 3.48Å
580	V	97.6	Very high	97.6	Very high	22 Å²	22	44.6 Å²	44.6	13%	0.133	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-43.2	179.6	173.7	0	0	0	0	111.1	Q541 F543 F559 G563 S564 V566	Q541-V580 PolarHBondContact NE2-O 2.85Å; F543-V580 HydrophobicContact CZ-CB 4.4Å; F543-V580 HydrophobicContact CZ-CG2 4.06Å; F559-V580 HydrophobicContact CD1-CG2 4.28Å; F559-V580 HydrophobicContact CE1-CG2 4.09Å; G563-V580 WeakPolarHBondContact O-CG2 3.49Å; S564-V580 WeakPolarHBondContact O-CB 3.39Å; S564-V580 PolarHBondContact O-N 3.24Å; V566-V580 HydrophobicContact CG1-CG2 3.81Å
581	L	96	Very high	97.3	Very high	162 Å²	162	54 Å²	54	85%	0.848	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-43.5	179.7	-179.8	62.6	0	0	0	112.7
582	T	96.6	Very high	97.2	Very high	69 Å²	69	55.8 Å²	55.8	42%	0.423	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-17.5	-172.7	72	0	0	0	0	114.3	S579 K584	S579-T582 VanDerWaalsContact CB-OG1 3.3Å; S579-T582 WeakPolarHBondContact CB-OG1 3.45Å; S579-T582 PolarHBondContact O-N 3.45Å; S579-T582 PolarHBondContact OG-N 2.98Å; S579-T582 PolarHBondContact OG-OG1 3.02Å; T582-K584 PolarHBondContact O-N 3.38Å; T582-K584 WeakPolarHBondContact OG1-CB 3.38Å; T582-K584 PolarHBondContact OG1-N 3.45Å
583	G	95.9	Very high	97.3	Very high	20 Å²	20	52.1 Å²	52.1	21%	0.206	27%	0.269	C	S	.	.			trans	73.3	-3.2	-171.9	0	0	0	0	0	114.6	S579	S579-G583 WeakPolarHBondContact O-CA 3.47Å; S579-G583 PolarHBondContact O-N 3.21Å
584	K	97.4	Very high	97.2	Very high	144 Å²	144	56.8 Å²	56.8	63%	0.626	30%	0.301	S	S	*	.			trans	-85.3	149.6	-173.2	-62.7	179.4	-178.5	177.1	0	112	W578 S579 T582 E586	W578-K584 CarbonylContact C-O 3.6Å; W578-K584 WeakPolarHBondContact CA-O 3.41Å; W578-K584 WeakPolarHBondContact CB-O 3.43Å; S579-K584 PolarHBondContact N-O 3.49Å; T582-K584 PolarHBondContact O-N 3.38Å; T582-K584 WeakPolarHBondContact OG1-CB 3.38Å; T582-K584 PolarHBondContact OG1-N 3.45Å; K584-E586 PolarHBondContact O-N 3.4Å
585	V	98.3	Very high	97.2	Very high	59 Å²	59	57.4 Å²	57.4	36%	0.358	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	120.3	165.8	-179.4	0	0	0	0	108.4	A545 W578 V588	A545-V585 HydrophobicContact CB-CG2 3.97Å; W578-V585 HydrophobicContact CG-CG2 4.43Å; W578-V585 VanDerWaalsContact NE1-CG2 3.3Å; V585-V588 HydrophobicContact CG1-CG2 3.56Å
586	E	97.2	Very high	97.2	Very high	86 Å²	86	58 Å²	58	40%	0.402	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-41.3	175.4	-68.5	-67.9	165	0	0	111	V327 Y565 I577 S579 K584	V327-E586 HydrophobicContact CG1-CB 4.43Å; Y565-E586 HydrophobicContact CD1-CG 4.23Å; Y565-E586 HydrophobicContact CE1-CG 3.99Å; I577-E586 PolarHBondContact O-N 3.09Å; S579-E586 VanDerWaalsContact CB-OE1 3.23Å; S579-E586 WeakPolarHBondContact CB-OE1 3.48Å; K584-E586 PolarHBondContact O-N 3.4Å
587	K	97.3	Very high	97.2	Very high	83 Å²	83	57.3 Å²	57.3	36%	0.361	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	148.6	177.5	-67.2	-65.5	179.6	-179.8	0	112.3	V327 I577 L589	V327-K587 HydrophobicContact CG1-CB 4.06Å; V327-K587 HydrophobicContact CG1-CG 3.46Å; V327-K587 VanDerWaalsContact CG1-CG 3.46Å; I577-K587 PolarHBondContact N-O 2.86Å; I577-K587 PolarHBondContact O-N 3.06Å; K587-L589 HydrophobicContact CB-CD2 4.47Å; K587-L589 HydrophobicContact CB-CG 4.29Å
588	V	98.1	Very high	97.2	Very high	65 Å²	65	57.4 Å²	57.4	39%	0.394	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	102.2	163.6	-172.1	0	0	0	0	107	Y576 V585	Y576-V588 HydrophobicContact CD1-CB 4.45Å; Y576-V588 HydrophobicContact CD1-CG1 4.14Å; Y576-V588 HydrophobicContact CD1-CG2 3.66Å; Y576-V588 HydrophobicContact CD2-CG1 4.5Å; Y576-V588 HydrophobicContact CE1-CB 4.33Å; Y576-V588 HydrophobicContact CE1-CG1 3.75Å; Y576-V588 HydrophobicContact CE1-CG2 3.6Å; Y576-V588 HydrophobicContact CE2-CG1 4.15Å; Y576-V588 HydrophobicContact CG-CG1 4.48Å; V585-V588 HydrophobicContact CG1-CG2 3.56Å
589	L	97.3	Very high	97.2	Very high	13 Å²	13	57.5 Å²	57.5	7%	0.068	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	115.3	-178	-61.8	174.9	0	0	0	108.4	P328 T329 S574 L575 I577 K587 W621	P328-L589 HydrophobicContact CB-CD1 4.25Å; P328-L589 HydrophobicContact CG-CD1 3.92Å; T329-L589 WeakPolarHBondContact O-CD2 3.49Å; S574-L589 CarbonylContact C-O 3.58Å; S574-L589 WeakPolarHBondContact CA-O 3.49Å; L575-L589 HydrophobicContact CB-CB 4.18Å; L575-L589 HydrophobicContact CD2-CD1 4.04Å; L575-L589 PolarHBondContact N-O 3.09Å; L575-L589 PolarHBondContact O-N 3.03Å; I577-L589 HydrophobicContact CD1-CD1 4.43Å; K587-L589 HydrophobicContact CB-CD2 4.47Å; K587-L589 HydrophobicContact CB-CG 4.29Å; L589-W621 HydrophobicContact CB-CD2 4.33Å; L589-W621 HydrophobicContact CB-CE3 3.89Å; L589-W621 HydrophobicContact CB-CH2 3.82Å; L589-W621 HydrophobicContact CB-CZ2 4.26Å; L589-W621 HydrophobicContact CB-CZ3 3.64Å; L589-W621 HydrophobicContact CD1-CB 4.3Å; L589-W621 HydrophobicContact CD1-CD2 3.95Å; L589-W621 HydrophobicContact CD1-CE3 3.82Å; L589-W621 HydrophobicContact CD1-CG 4.19Å; L589-W621 HydrophobicContact CD1-CZ3 4.43Å; L589-W621 HydrophobicContact CD2-CE3 4.46Å; L589-W621 HydrophobicContact CG-CE3 4.27Å; L589-W621 HydrophobicContact CG-CZ3 4.42Å
590	S	95.6	Very high	97.2	Very high	50 Å²	50	57.1 Å²	57.1	35%	0.35	31%	0.306	S	S	.	.			trans	-131.2	-178.9	-166.9	57.2	0	0	0	0	112.1	S574 Q592	S574-S590 WeakPolarHBondContact OG-CB 3.38Å; S590-Q592 PolarHBondContact O-N 2.92Å; S590-Q592 VanDerWaalsContact O-N 3.15Å
591	K	93.4	Very high	97.2	Very high	196 Å²	196	56.2 Å²	56.2	85%	0.852	30%	0.301	S	S	*	.	S	Bend	trans	72	-12.6	175.4	-50	177.5	-178.8	178.7	0	117.4
592	Q	96.3	Very high	97.3	Very high	78 Å²	78	49.4 Å²	49.4	36%	0.364	26%	0.264	S	S	.	.	S	Bend	trans	-87.9	-36.9	-179.3	-57.4	-61.3	-15.3	0	0	113.2	A331 S590 V619 W621	A331-Q592 HydrophobicContact CB-CG 3.87Å; S590-Q592 PolarHBondContact O-N 2.92Å; S590-Q592 VanDerWaalsContact O-N 3.15Å; Q592-V619 HydrophobicContact CB-CG1 4.12Å; Q592-V619 HydrophobicContact CB-CG2 3.84Å; Q592-V619 HydrophobicContact CG-CG1 4.34Å; Q592-W621 HydrophobicContact CB-CH2 3.73Å; Q592-W621 HydrophobicContact CB-CZ2 4.13Å; Q592-W621 HydrophobicContact CG-CH2 3.41Å; Q592-W621 VanDerWaalsContact CG-CH2 3.41Å; Q592-W621 HydrophobicContact CG-CZ2 4.23Å; Q592-W621 HydrophobicContact CG-CZ3 3.76Å
593	H	97.7	Very high	97.3	Very high	11 Å²	11	46.1 Å²	46.1	5%	0.051	24%	0.244	C	C	.	.			trans	-91.3	136.9	172.8	-69.3	-72.6	0	0	0	110.7	I597 S611 D613 V619	H593-I597 HydrophobicContact CB-CG1 4.19Å; H593-S611 PolarHBondContact CD2-OG 3.41Å; H593-S611 PolarHBondContact CE1-O 3.47Å; H593-S611 PolarHBondContact NE2-O 2.95Å; H593-S611 PolarHBondContact NE2-OG 3.01Å; H593-D613 HydrophobicContact CB-CB 4.46Å; H593-D613 IonicContact CE1-OD2 2.74Å; H593-D613 IonicContact CG-OD2 2.68Å; H593-D613 VanDerWaalsContact ND1-CB 3.34Å; H593-D613 WeakPolarHBondContact ND1-CB 3.33Å; H593-D613 IonicContact ND1-OD2 3.74Å; H593-D613 PolarHBondContact ND1-OD2 3.13Å; H593-V619 VanDerWaalsContact CE1-CG2 3.48Å; H593-V619 WeakPolarHBondContact CE1-CG2 3.47Å; H593-V619 WeakPolarHBondContact NE2-CG2 3.29Å
594	S	96.1	Very high	97.3	Very high	98 Å²	98	47.7 Å²	47.7	69%	0.685	25%	0.25	S	S	*	.	S	Bend	trans	-103.4	10.3	175.2	51.3	0	0	0	0	112.3
595	S	97.6	Very high	97.1	Very high	25 Å²	25	42.8 Å²	42.8	18%	0.175	23%	0.234	C	C	.	.	S	Bend	trans	-152.2	171.8	-177	74.9	0	0	0	0	110.9	G573 I597 D613 K614 G615	G573-S595 WeakPolarHBondContact CA-O 3.44Å; S595-I597 PolarHBondContact O-N 3.24Å; S595-D613 VanDerWaalsContact OG-CB 3.31Å; S595-D613 WeakPolarHBondContact OG-CB 3.38Å; S595-D613 PolarHBondContact OG-OD1 3Å; S595-D613 PolarHBondContact OG-OD2 3.26Å; S595-K614 PolarHBondContact OG-N 3.01Å; S595-G615 PolarHBondContact OG-N 3.43Å
596	S	98.2	Very high	96.8	Very high	12 Å²	12	40.1 Å²	40.1	8%	0.084	22%	0.219	C	C	.	.			trans	-56.1	127.8	176.1	177.2	0	0	0	0	111.5	G551 A571 D613 K614	G551-S596 WeakPolarHBondContact CA-OG 3.47Å; A571-S596 WeakPolarHBondContact O-CA 3.47Å; A571-S596 PolarHBondContact O-N 2.97Å; S596-D613 WeakPolarHBondContact O-CA 3.27Å; S596-D613 WeakPolarHBondContact O-CB 3.45Å; S596-K614 PolarHBondContact O-N 3.27Å; S596-K614 VanDerWaalsContact O-N 3.07Å
597	I	98.8	Very high	96.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	131.2	167.4	-60.2	167.4	0	0	0	107.8	S570 L575 H593 S595 A599 V600 V612 D613	S570-I597 PolarHBondContact O-N 2.87Å; L575-I597 HydrophobicContact CB-CD1 4.21Å; H593-I597 HydrophobicContact CB-CG1 4.19Å; S595-I597 PolarHBondContact O-N 3.24Å; I597-A599 WeakPolarHBondContact CG2-O 3.48Å; I597-V600 HydrophobicContact CG2-CG1 3.92Å; I597-V612 WeakPolarHBondContact CG2-O 3.41Å; I597-D613 HydrophobicContact CG1-CB 4.48Å
598	N	98.4	Very high	96.4	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.011	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-40.6	-179.7	-88.6	-18.8	0	0	0	112	E341 V342 S552 T555 R556 V612 K614	E341-N598 VanDerWaalsContact CG-ND2 3.26Å; E341-N598 WeakPolarHBondContact CG-ND2 3.5Å; E341-N598 PolarHBondContact OE1-ND2 2.83Å; V342-N598 WeakPolarHBondContact O-CB 3.37Å; V342-N598 PolarHBondContact O-ND2 3.44Å; S552-N598 WeakPolarHBondContact CB-OD1 3.28Å; T555-N598 CarbonylContact C-O 3.56Å; T555-N598 VanDerWaalsContact CA-O 3.32Å; T555-N598 WeakPolarHBondContact CA-O 3.46Å; R556-N598 PolarHBondContact N-O 2.86Å; N598-V612 PolarHBondContact N-O 2.99Å; N598-K614 WeakPolarHBondContact OD1-CE 3.36Å; N598-K614 PolarHBondContact OD1-NZ 3.39Å
599	A	98.8	Very high	96.3	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	154.3	-177.9	0	0	0	0	0	111.9	V345 R556 I597 S611 V612	V345-A599 HydrophobicContact CG1-CB 3.92Å; R556-A599 HydrophobicContact CB-CB 3.84Å; R556-A599 HydrophobicContact CG-CB 3.76Å; I597-A599 WeakPolarHBondContact CG2-O 3.48Å; A599-S611 WeakPolarHBondContact O-CA 3.49Å; A599-V612 HydrophobicContact CB-CG2 3.92Å; A599-V612 PolarHBondContact N-O 3.33Å; A599-V612 PolarHBondContact O-N 2.97Å
600	V	98.8	Very high	96.4	Very high	3 Å²	3	32 Å²	32	2%	0.018	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	151.7	177.5	-61.7	0	0	0	0	108.7	V558 A567 L575 I597 V610	V558-V600 WeakPolarHBondContact CG1-O 3.4Å; V558-V600 HydrophobicContact CG2-CG2 4.1Å; A567-V600 HydrophobicContact CB-CG2 4.31Å; A567-V600 WeakPolarHBondContact O-CG2 3.47Å; L575-V600 HydrophobicContact CD1-CB 4.45Å; L575-V600 HydrophobicContact CD1-CG1 3.7Å; I597-V600 HydrophobicContact CG2-CG1 3.92Å; V600-V610 CarbonylContact C-O 3.56Å; V600-V610 WeakPolarHBondContact CA-O 3.34Å
601	A	98.6	Very high	96.5	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.033	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	146.2	169.8	0	0	0	0	0	110.7	V345 F347 V609 V610	V345-A601 HydrophobicContact CG1-CB 4.16Å; F347-A601 HydrophobicContact CD2-CB 4.03Å; F347-A601 HydrophobicContact CE2-CB 4.44Å; A601-V609 CarbonylContact O-C 3.58Å; A601-V609 WeakPolarHBondContact O-CA 3.47Å; A601-V610 HydrophobicContact CB-CG1 3.8Å; A601-V610 PolarHBondContact N-O 3.23Å; A601-V610 PolarHBondContact O-N 3.08Å
602	W	98.1	Very high	96.8	Very high	18 Å²	18	20.2 Å²	20.2	7%	0.068	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	135.4	170.2	-145.2	-53.9	0	0	0	108.5	V325 V558 Y565 A567 I577 G606 V609	V325-W602 HydrophobicContact CG1-CH2 4.32Å; V325-W602 HydrophobicContact CG1-CZ2 3.51Å; V558-W602 HydrophobicContact CG2-CB 4.39Å; Y565-W602 HydrophobicContact CD2-CH2 4.21Å; Y565-W602 HydrophobicContact CG-CH2 4.23Å; A567-W602 HydrophobicContact CB-CE3 4.22Å; A567-W602 HydrophobicContact CB-CZ3 4.28Å; I577-W602 HydrophobicContact CD1-CH2 4.28Å; I577-W602 HydrophobicContact CD1-CZ3 4.38Å; I577-W602 HydrophobicContact CG2-CH2 4.08Å; I577-W602 HydrophobicContact CG2-CZ3 4.04Å; W602-G606 PolarHBondContact NE1-O 3.06Å; W602-V609 HydrophobicContact CD2-CG2 3.4Å; W602-V609 VanDerWaalsContact CD2-CG2 3.4Å; W602-V609 VanDerWaalsContact CE2-CG2 3.41Å; W602-V609 HydrophobicContact CE3-CG2 3.79Å; W602-V609 HydrophobicContact CG-CG2 3.78Å; W602-V609 HydrophobicContact CH2-CG2 4.2Å; W602-V609 HydrophobicContact CZ2-CG2 3.83Å; W602-V609 HydrophobicContact CZ3-CG2 4.17Å
603	S	96.2	Very high	96.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	11%	0.109	C	C	.	.			trans	-67.8	137.6	173.4	54.2	0	0	0	0	110.6	F347 P561 S605 G606 S607 H608	F347-S603 VanDerWaalsContact CD2-CA 3.45Å; F347-S603 VanDerWaalsContact CD2-N 3.32Å; P561-S603 WeakPolarHBondContact CG-O 3.31Å; S603-S605 PolarHBondContact O-N 2.87Å; S603-S605 VanDerWaalsContact O-N 3.08Å; S603-S605 PolarHBondContact OG-OG 2.92Å; S603-G606 PolarHBondContact O-N 3.41Å; S603-S607 PolarHBondContact OG-N 3.46Å; S603-H608 WeakPolarHBondContact CB-O 3.42Å; S603-H608 PolarHBondContact N-O 3.02Å; S603-H608 WeakPolarHBondContact OG-CA 3.42Å; S603-H608 PolarHBondContact OG-N 3.39Å; S603-H608 PolarHBondContact OG-O 3.28Å
604	P	95.8	Very high	96.9	Very high	54 Å²	54	19.3 Å²	19.3	35%	0.351	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-19.5	174.8	-29.5	35.5	0	0	0	115.5	P349 S351 G606	P349-P604 WeakPolarHBondContact O-CB 3.45Å; S351-P604 VanDerWaalsContact OG-CD 3.29Å; S351-P604 WeakPolarHBondContact OG-CD 3.2Å; P604-G606 VanDerWaalsContact C-N 3.27Å
605	S	93.1	Very high	96.8	Very high	40 Å²	40	16.1 Å²	16.1	28%	0.28	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-16.2	170.8	54.9	0	0	0	0	114	S351 S603 S607	S351-S605 PolarHBondContact OG-N 3.41Å; S351-S605 PolarHBondContact OG-OG 2.78Å; S603-S605 PolarHBondContact O-N 2.87Å; S603-S605 VanDerWaalsContact O-N 3.08Å; S603-S605 PolarHBondContact OG-OG 2.92Å; S605-S607 PolarHBondContact O-N 3.37Å; S605-S607 PolarHBondContact OG-N 3.43Å; S605-S607 PolarHBondContact OG-OG 2.91Å
606	G	92.8	Very high	96.8	Very high	4 Å²	4	16.2 Å²	16.2	4%	0.041	10%	0.104	C	C	.	.	S	Bend	trans	76.8	-7.3	-170.8	0	0	0	0	0	114.5	W602 S603 P604	W602-G606 PolarHBondContact NE1-O 3.06Å; S603-G606 PolarHBondContact O-N 3.41Å; P604-G606 VanDerWaalsContact C-N 3.27Å
607	S	89.9	Confident	96.7	Very high	59 Å²	59	18.3 Å²	18.3	41%	0.413	11%	0.112	S	C	.	.	S	Bend	trans	-78.5	-28.4	-168.8	64.3	0	0	0	0	114.5	S603 S605	S603-S607 PolarHBondContact OG-N 3.46Å; S605-S607 PolarHBondContact O-N 3.37Å; S605-S607 PolarHBondContact OG-N 3.43Å; S605-S607 PolarHBondContact OG-OG 2.91Å
608	H	94.1	Very high	96.7	Very high	16 Å²	16	18.3 Å²	18.3	7%	0.074	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	142.5	-175.2	-62.6	118.7	0	0	0	112.4	F347 G370 S603 L620 W621	F347-H608 HydrophobicContact CE1-CB 4.38Å; F347-H608 HydrophobicContact CZ-CB 3.83Å; G370-H608 PolarHBondContact O-CE1 3.47Å; G370-H608 VanDerWaalsContact O-CE1 3.25Å; G370-H608 PolarHBondContact O-NE2 3.45Å; S603-H608 WeakPolarHBondContact CB-O 3.42Å; S603-H608 PolarHBondContact N-O 3.02Å; S603-H608 WeakPolarHBondContact OG-CA 3.42Å; S603-H608 PolarHBondContact OG-N 3.39Å; S603-H608 PolarHBondContact OG-O 3.28Å; H608-L620 HydrophobicContact CB-CD1 3.85Å; H608-L620 HydrophobicContact CB-CG 4.37Å; H608-W621 WeakPolarHBondContact CA-O 3.34Å
609	V	97.4	Very high	96.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	143.2	158.6	-178.7	0	0	0	0	107.5	P328 L575 A601 W602 W621	P328-V609 HydrophobicContact CG-CB 4.01Å; P328-V609 HydrophobicContact CG-CG2 3.69Å; L575-V609 HydrophobicContact CD2-CG1 3.84Å; A601-V609 CarbonylContact O-C 3.58Å; A601-V609 WeakPolarHBondContact O-CA 3.47Å; W602-V609 HydrophobicContact CD2-CG2 3.4Å; W602-V609 VanDerWaalsContact CD2-CG2 3.4Å; W602-V609 VanDerWaalsContact CE2-CG2 3.41Å; W602-V609 HydrophobicContact CE3-CG2 3.79Å; W602-V609 HydrophobicContact CG-CG2 3.78Å; W602-V609 HydrophobicContact CH2-CG2 4.2Å; W602-V609 HydrophobicContact CZ2-CG2 3.83Å; W602-V609 HydrophobicContact CZ3-CG2 4.17Å; V609-W621 PolarHBondContact N-O 2.66Å; V609-W621 PolarHBondContact O-N 2.98Å
610	V	98.2	Very high	96.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	142.8	172.9	65.6	0	0	0	0	109.5	V345 F347 L354 V600 A601 V612 V619 L620	V345-V610 HydrophobicContact CB-CG1 4.38Å; V345-V610 HydrophobicContact CG1-CG1 4.02Å; V345-V610 HydrophobicContact CG2-CB 4.39Å; V345-V610 HydrophobicContact CG2-CG1 3.42Å; V345-V610 VanDerWaalsContact CG2-CG1 3.42Å; V345-V610 HydrophobicContact CG2-CG2 4.05Å; F347-V610 HydrophobicContact CD2-CG1 4.23Å; F347-V610 HydrophobicContact CE2-CB 4.01Å; F347-V610 HydrophobicContact CE2-CG1 3.54Å; F347-V610 HydrophobicContact CZ-CB 4.11Å; F347-V610 HydrophobicContact CZ-CG1 4.07Å; L354-V610 HydrophobicContact CD1-CB 4.41Å; L354-V610 HydrophobicContact CD1-CG1 3.86Å; L354-V610 HydrophobicContact CD1-CG2 4.36Å; L354-V610 HydrophobicContact CD2-CG2 4.15Å; V600-V610 CarbonylContact C-O 3.56Å; V600-V610 WeakPolarHBondContact CA-O 3.34Å; A601-V610 HydrophobicContact CB-CG1 3.8Å; A601-V610 PolarHBondContact N-O 3.23Å; A601-V610 PolarHBondContact O-N 3.08Å; V610-V612 HydrophobicContact CG2-CG1 4.32Å; V610-V619 VanDerWaalsContact CA-O 3.31Å; V610-V619 WeakPolarHBondContact CA-O 3.39Å; V610-L620 HydrophobicContact CB-CD1 4.21Å
611	S	98.7	Very high	96.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142.6	168.4	55.2	0	0	0	0	110.5	H593 A599 A618 V619 W621	H593-S611 PolarHBondContact CD2-OG 3.41Å; H593-S611 PolarHBondContact CE1-O 3.47Å; H593-S611 PolarHBondContact NE2-O 2.95Å; H593-S611 PolarHBondContact NE2-OG 3.01Å; A599-S611 WeakPolarHBondContact O-CA 3.49Å; S611-A618 WeakPolarHBondContact O-CA 3.43Å; S611-V619 PolarHBondContact N-O 3.27Å; S611-V619 PolarHBondContact O-N 3.42Å; S611-W621 PolarHBondContact OG-NE1 2.7Å
612	V	98.7	Very high	96.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	141.6	-179	-54.7	0	0	0	0	111.4	V342 V345 T356 I597 N598 A599 V610 K617 A618	V342-V612 HydrophobicContact CB-CB 3.77Å; V342-V612 HydrophobicContact CB-CG2 3.85Å; V342-V612 HydrophobicContact CG1-CB 3.69Å; V342-V612 HydrophobicContact CG1-CG1 4.17Å; V342-V612 HydrophobicContact CG1-CG2 3.6Å; V342-V612 HydrophobicContact CG2-CB 4.37Å; V345-V612 HydrophobicContact CB-CG1 3.76Å; V345-V612 HydrophobicContact CB-CG2 3.92Å; V345-V612 HydrophobicContact CG1-CG1 4.05Å; V345-V612 HydrophobicContact CG1-CG2 3.86Å; V345-V612 HydrophobicContact CG2-CG1 3.87Å; T356-V612 HydrophobicContact CG2-CG1 4.33Å; I597-V612 WeakPolarHBondContact CG2-O 3.41Å; N598-V612 PolarHBondContact N-O 2.99Å; A599-V612 HydrophobicContact CB-CG2 3.92Å; A599-V612 PolarHBondContact N-O 3.33Å; A599-V612 PolarHBondContact O-N 2.97Å; V610-V612 HydrophobicContact CG2-CG1 4.32Å; V612-K617 VanDerWaalsContact CA-O 3.29Å; V612-K617 WeakPolarHBondContact CA-O 3.45Å; V612-A618 HydrophobicContact CG1-CB 3.82Å
613	D	98.3	Very high	95.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	176.9	-167.7	81.1	2.7	0	0	0	115.8	V342 H593 S595 S596 I597 G615 C616 K617	V342-D613 PolarHBondContact N-O 2.96Å; H593-D613 HydrophobicContact CB-CB 4.46Å; H593-D613 IonicContact CE1-OD2 2.74Å; H593-D613 IonicContact CG-OD2 2.68Å; H593-D613 VanDerWaalsContact ND1-CB 3.34Å; H593-D613 WeakPolarHBondContact ND1-CB 3.33Å; H593-D613 IonicContact ND1-OD2 3.74Å; H593-D613 PolarHBondContact ND1-OD2 3.13Å; S595-D613 VanDerWaalsContact OG-CB 3.31Å; S595-D613 WeakPolarHBondContact OG-CB 3.38Å; S595-D613 PolarHBondContact OG-OD1 3Å; S595-D613 PolarHBondContact OG-OD2 3.26Å; S596-D613 WeakPolarHBondContact O-CA 3.27Å; S596-D613 WeakPolarHBondContact O-CB 3.45Å; I597-D613 HydrophobicContact CG1-CB 4.48Å; D613-G615 VanDerWaalsContact C-N 3.3Å; D613-G615 WeakPolarHBondContact OD1-CA 3.45Å; D613-G615 PolarHBondContact OD1-N 3.3Å; D613-C616 PolarHBondContact OD1-N 2.94Å; D613-K617 PolarHBondContact N-O 2.96Å; D613-K617 PolarHBondContact OD1-N 3.47Å
614	K	97.6	Very high	93.9	Very high	70 Å²	70	32 Å²	32	30%	0.304	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-25.8	176.9	-63	-170.4	-178.5	-88.7	0	113.3	E341 G551 S595 S596 N598 C616	E341-K614 WeakPolarHBondContact CA-O 3.45Å; E341-K614 HydrophobicContact CG-CB 4.38Å; E341-K614 HydrophobicContact CG-CG 4.17Å; E341-K614 PolarHBondContact N-O 3.49Å; E341-K614 WeakPolarHBondContact OE1-CG 3.3Å; E341-K614 IonicContact OE1-NZ 3.6Å; E341-K614 PolarHBondContact OE1-NZ 2.95Å; G551-K614 WeakPolarHBondContact O-CE 3.46Å; S595-K614 PolarHBondContact OG-N 3.01Å; S596-K614 PolarHBondContact O-N 3.27Å; S596-K614 VanDerWaalsContact O-N 3.07Å; N598-K614 WeakPolarHBondContact OD1-CE 3.36Å; N598-K614 PolarHBondContact OD1-NZ 3.39Å; K614-C616 PolarHBondContact O-N 2.86Å
615	G	95.6	Very high	93.8	Very high	31 Å²	31	31 Å²	31	32%	0.32	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	34	178.5	0	0	0	0	0	113.4	S595 D613 K617	S595-G615 PolarHBondContact OG-N 3.43Å; D613-G615 VanDerWaalsContact C-N 3.3Å; D613-G615 WeakPolarHBondContact OD1-CA 3.45Å; D613-G615 PolarHBondContact OD1-N 3.3Å; G615-K617 PolarHBondContact O-N 3.36Å; G615-K617 VanDerWaalsContact O-N 3.13Å
616	C	96.1	Very high	93.8	Very high	26 Å²	26	30.5 Å²	30.5	18%	0.176	15%	0.153	C	C	.	.	S	Bend	trans	63.6	-0.1	175.4	88.1	0	0	0	0	118.9	A337 H338 G340 D613 K614	A337-C616 PolarHBondContact N-O 3.05Å; H338-C616 PolarHBondContact N-O 3.06Å; H338-C616 WeakPolarHBondContact O-CB 3.35Å; G340-C616 VanDerWaalsContact O-CA 3.28Å; G340-C616 WeakPolarHBondContact O-CA 3.47Å; G340-C616 VanDerWaalsContact O-CB 3.24Å; G340-C616 WeakPolarHBondContact O-CB 3.39Å; D613-C616 PolarHBondContact OD1-N 2.94Å; K614-C616 PolarHBondContact O-N 2.86Å
617	K	97.4	Very high	93.9	Very high	57 Å²	57	31.9 Å²	31.9	25%	0.248	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	146.5	-172.7	-72.7	173.1	-176.1	179.3	0	113.4	F335 D336 V612 D613 G615	F335-K617 WeakPolarHBondContact O-CA 3.4Å; D336-K617 WeakPolarHBondContact OD1-CG 3.4Å; V612-K617 VanDerWaalsContact CA-O 3.29Å; V612-K617 WeakPolarHBondContact CA-O 3.45Å; D613-K617 PolarHBondContact N-O 2.96Å; D613-K617 PolarHBondContact OD1-N 3.47Å; G615-K617 PolarHBondContact O-N 3.36Å; G615-K617 VanDerWaalsContact O-N 3.13Å
618	A	98.2	Very high	94.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	139.2	158.6	0	0	0	0	0	110	F335 A337 S611 V612	F335-A618 HydrophobicContact CD1-CB 4.38Å; F335-A618 HydrophobicContact CD2-CB 4.23Å; F335-A618 HydrophobicContact CE1-CB 3.86Å; F335-A618 HydrophobicContact CE2-CB 3.69Å; F335-A618 HydrophobicContact CZ-CB 3.49Å; F335-A618 VanDerWaalsContact CZ-CB 3.49Å; F335-A618 PolarHBondContact N-O 3.15Å; F335-A618 PolarHBondContact O-N 3.06Å; A337-A618 HydrophobicContact CB-CB 3.89Å; S611-A618 WeakPolarHBondContact O-CA 3.43Å; V612-A618 HydrophobicContact CG1-CB 3.82Å
619	V	98	Very high	94.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.7	174.4	-177.8	0	0	0	0	108.8	A331 C333 V334 Q592 H593 V610 S611 W621	A331-V619 HydrophobicContact CB-CG1 3.59Å; C333-V619 WeakPolarHBondContact O-CA 3.47Å; V334-V619 HydrophobicContact CG1-CG2 4.16Å; V334-V619 HydrophobicContact CG2-CG1 4.14Å; V334-V619 HydrophobicContact CG2-CG2 4.17Å; Q592-V619 HydrophobicContact CB-CG1 4.12Å; Q592-V619 HydrophobicContact CB-CG2 3.84Å; Q592-V619 HydrophobicContact CG-CG1 4.34Å; H593-V619 VanDerWaalsContact CE1-CG2 3.48Å; H593-V619 WeakPolarHBondContact CE1-CG2 3.47Å; H593-V619 WeakPolarHBondContact NE2-CG2 3.29Å; V610-V619 VanDerWaalsContact CA-O 3.31Å; V610-V619 WeakPolarHBondContact CA-O 3.39Å; S611-V619 PolarHBondContact N-O 3.27Å; S611-V619 PolarHBondContact O-N 3.42Å; V619-W621 HydrophobicContact CB-CZ2 4.08Å; V619-W621 HydrophobicContact CG1-CD2 3.77Å; V619-W621 HydrophobicContact CG1-CE3 4.27Å; V619-W621 HydrophobicContact CG1-CG 4.28Å; V619-W621 HydrophobicContact CG1-CH2 4.1Å; V619-W621 HydrophobicContact CG1-CZ2 3.55Å; V619-W621 HydrophobicContact CG1-CZ3 4.41Å; V619-W621 PolarHBondContact O-NE1 2.7Å
620	L	96.8	Very high	93.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	118.2	174.1	-166.3	72.6	0	0	0	109	A331 L332 C333 F347 V368 C373 H608 V610	A331-L620 CarbonylContact C-O 3.6Å; A331-L620 WeakPolarHBondContact CA-O 3.47Å; L332-L620 PolarHBondContact N-O 3.35Å; C333-L620 HydrophobicContact CB-CB 4.02Å; C333-L620 PolarHBondContact N-O 2.96Å; C333-L620 PolarHBondContact O-N 2.96Å; F347-L620 HydrophobicContact CE1-CD1 4.35Å; F347-L620 HydrophobicContact CZ-CD1 3.79Å; V368-L620 HydrophobicContact CG1-CD2 4.05Å; C373-L620 HydrophobicContact CB-CD2 4.4Å; H608-L620 HydrophobicContact CB-CD1 3.85Å; H608-L620 HydrophobicContact CB-CG 4.37Å; V610-L620 HydrophobicContact CB-CD1 4.21Å
621	W	96.4	Very high	93.5	Very high	5 Å²	5	35.7 Å²	35.7	2%	0.019	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	142.8	-178.8	-45.8	85.2	0	0	0	110.7	P328 T330 A331 L575 L589 Q592 H608 V609 S611 V619	P328-W621 HydrophobicContact CB-CB 3.75Å; P328-W621 HydrophobicContact CG-CB 4.12Å; T330-W621 VanDerWaalsContact O-CA 3.28Å; T330-W621 WeakPolarHBondContact O-CA 3.42Å; A331-W621 HydrophobicContact CB-CD2 4.37Å; A331-W621 HydrophobicContact CB-CE3 3.78Å; A331-W621 HydrophobicContact CB-CZ3 3.87Å; L575-W621 HydrophobicContact CB-CZ2 4.49Å; L575-W621 VanDerWaalsContact CD2-CD1 3.47Å; L575-W621 HydrophobicContact CD2-CD2 4.22Å; L575-W621 HydrophobicContact CD2-CG 3.96Å; L589-W621 HydrophobicContact CB-CD2 4.33Å; L589-W621 HydrophobicContact CB-CE3 3.89Å; L589-W621 HydrophobicContact CB-CH2 3.82Å; L589-W621 HydrophobicContact CB-CZ2 4.26Å; L589-W621 HydrophobicContact CB-CZ3 3.64Å; L589-W621 HydrophobicContact CD1-CB 4.3Å; L589-W621 HydrophobicContact CD1-CD2 3.95Å; L589-W621 HydrophobicContact CD1-CE3 3.82Å; L589-W621 HydrophobicContact CD1-CG 4.19Å; L589-W621 HydrophobicContact CD1-CZ3 4.43Å; L589-W621 HydrophobicContact CD2-CE3 4.46Å; L589-W621 HydrophobicContact CG-CE3 4.27Å; L589-W621 HydrophobicContact CG-CZ3 4.42Å; Q592-W621 HydrophobicContact CB-CH2 3.73Å; Q592-W621 HydrophobicContact CB-CZ2 4.13Å; Q592-W621 HydrophobicContact CG-CH2 3.41Å; Q592-W621 VanDerWaalsContact CG-CH2 3.41Å; Q592-W621 HydrophobicContact CG-CZ2 4.23Å; Q592-W621 HydrophobicContact CG-CZ3 3.76Å; H608-W621 WeakPolarHBondContact CA-O 3.34Å; V609-W621 PolarHBondContact N-O 2.66Å; V609-W621 PolarHBondContact O-N 2.98Å; S611-W621 PolarHBondContact OG-NE1 2.7Å; V619-W621 HydrophobicContact CB-CZ2 4.08Å; V619-W621 HydrophobicContact CG1-CD2 3.77Å; V619-W621 HydrophobicContact CG1-CE3 4.27Å; V619-W621 HydrophobicContact CG1-CG 4.28Å; V619-W621 HydrophobicContact CG1-CH2 4.1Å; V619-W621 HydrophobicContact CG1-CZ2 3.55Å; V619-W621 HydrophobicContact CG1-CZ3 4.41Å; V619-W621 PolarHBondContact O-NE1 2.7Å
622	A	93.1	Very high	93.2	Very high	5 Å²	5	38.5 Å²	38.5	4%	0.041	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	175.8	175.6	0	0	0	0	0	111.8	P328 T329 T330 L332	P328-A622 CarbonylContact C-O 3.54Å; P328-A622 WeakPolarHBondContact CA-O 3.34Å; P328-A622 WeakPolarHBondContact CB-O 3.44Å; T329-A622 PolarHBondContact N-O 2.68Å; T329-A622 PolarHBondContact OG1-O 2.87Å; T330-A622 PolarHBondContact N-O 2.87Å; T330-A622 PolarHBondContact O-N 3.49Å; L332-A622 HydrophobicContact CD1-CB 3.33Å; L332-A622 HydrophobicContact CD2-CB 4.31Å; L332-A622 HydrophobicContact CG-CB 3.65Å
623	Q	85.8	Confident	92.7	Very high	92 Å²	92	41.7 Å²	41.7	43%	0.43	20%	0.198	S	C	.	.			trans	-83.2	137.8	160.9	-178.8	59.6	52	0	0	109.1	R326 V327 T329	R326-Q623 HydrophobicContact CB-CB 4.04Å; R326-Q623 HydrophobicContact CB-CG 4.39Å; V327-Q623 PolarHBondContact O-OE1 3.41Å; T329-Q623 VanDerWaalsContact CG2-OE1 3.27Å
624	Y	59	Low	92.2	Very high	214 Å²	214	45.5 Å²	45.5	84%	0.839	22%	0.216	S	C	*	.			trans	-100.3	0	168.4	-150.6	-88.5	0	0	0	110.3	L332 E371	L332-Y624 HydrophobicContact CD2-CD2 4.17Å; E371-Y624 WeakPolarHBondContact OE1-CE2 3.13Å

Retrieved 624 of 624 residues in 180.3 ms (Link to these results)

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