A0A077Z255_TRITR Loading...

Cysteine proteases inhibitor

AlphaFold DB , UniProt , Accession A0A077Z255, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 249 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	44.8	Very low	51.5	Low	242 Å²	242	145.4 Å²	145.4	100%	1.192	84%	0.838	S	S	*	*				0	106.8	0	-77	171.7	-178.7	0	0	107.5
2	A	48.8	Very low	51.4	Low	105 Å²	105	146.6 Å²	146.6	87%	0.868	84%	0.838	S	S	*	*			trans	-95.1	115.2	176.2	0	0	0	0	0	107.8
3	I	46.7	Very low	51.5	Low	160 Å²	160	142.5 Å²	142.5	82%	0.821	83%	0.832	S	S	*	*			trans	-89.8	122.3	-179.7	-59.7	178	0	0	0	107.4
4	P	50.2	Low	51.5	Low	108 Å²	108	141.6 Å²	141.6	70%	0.701	83%	0.829	S	S	*	*			trans	-77.7	131.4	-174.1	30.2	-32.3	0	0	0	111.2	L6	P4-L6 PolarHBondContact O-N 3.18Å
5	A	55.4	Low	51.6	Low	97 Å²	97	139.1 Å²	139.1	80%	0.802	82%	0.823	S	S	*	*			trans	-71.9	104.6	175.4	0	0	0	0	0	109.9	L7	A5-L7 PolarHBondContact O-N 3.29Å
6	L	54.2	Low	51.4	Low	146 Å²	146	139.6 Å²	139.6	76%	0.764	82%	0.821	S	S	*	*			trans	-77.8	108.8	174.5	-143	82.4	0	0	0	108.9	P4 F8	P4-L6 PolarHBondContact O-N 3.18Å; L6-F8 HydrophobicContact CD2-CE2 4.2Å; L6-F8 PolarHBondContact O-N 2.61Å
7	L	51.4	Low	51.4	Low	162 Å²	162	136.7 Å²	136.7	85%	0.848	82%	0.816	S	S	*	*			trans	-71.1	106.2	174.9	-126.7	91.1	0	0	0	109.3	A5 M9	A5-L7 PolarHBondContact O-N 3.29Å; L7-M9 PolarHBondContact O-N 2.89Å
8	F	51.3	Low	51.4	Low	178 Å²	178	137.3 Å²	137.3	78%	0.781	81%	0.813	S	S	*	*			trans	-81.1	105.6	169.6	-101.9	-94.8	0	0	0	109.4	L6 V10	L6-F8 HydrophobicContact CD2-CE2 4.2Å; L6-F8 PolarHBondContact O-N 2.61Å; F8-V10 PolarHBondContact O-N 2.82Å
9	M	54.6	Low	51.5	Low	180 Å²	180	137.7 Å²	137.7	89%	0.887	81%	0.81	S	S	*	*			trans	-70.9	110	166.8	-87.5	-167.7	-84.5	0	0	109.4	L7 A11	L7-M9 PolarHBondContact O-N 2.89Å; M9-A11 PolarHBondContact O-N 3.24Å
10	V	57.8	Low	51.7	Low	125 Å²	125	139.3 Å²	139.3	76%	0.758	81%	0.813	S	S	*	*			trans	-80.7	105.3	171.9	178.7	0	0	0	0	108.3	F8 L12	F8-V10 PolarHBondContact O-N 2.82Å; V10-L12 PolarHBondContact O-N 3.39Å
11	A	50.8	Low	52.3	Low	96 Å²	96	134.9 Å²	134.9	79%	0.793	80%	0.797	S	S	*	*			trans	-73.1	110.4	170	0	0	0	0	0	109.3	M9 A13	M9-A11 PolarHBondContact O-N 3.24Å; A11-A13 PolarHBondContact O-N 3.35Å; A11-A13 VanDerWaalsContact O-N 3.08Å
12	L	50.6	Low	54	Low	160 Å²	160	124.5 Å²	124.5	84%	0.838	75%	0.752	S	S	*	*			trans	-71.3	96.6	172.1	-83	136.9	0	0	0	109.4	V10 V14	V10-L12 PolarHBondContact O-N 3.39Å; L12-V14 PolarHBondContact O-N 3.22Å
13	A	52.4	Low	55.8	Low	93 Å²	93	123.8 Å²	123.8	77%	0.769	74%	0.738	S	S	*	*			trans	-69.7	110.4	163.9	0	0	0	0	0	108.3	A11 S15	A11-A13 PolarHBondContact O-N 3.35Å; A11-A13 VanDerWaalsContact O-N 3.08Å; A13-S15 PolarHBondContact O-N 2.86Å
14	V	51.4	Low	57.8	Low	130 Å²	130	119.1 Å²	119.1	79%	0.788	72%	0.72	S	S	*	*			trans	-71.3	93.5	172.6	-173.4	0	0	0	0	107.3	L12 N16	L12-V14 PolarHBondContact O-N 3.22Å; V14-N16 PolarHBondContact O-N 3.14Å
15	S	53.1	Low	59.9	Low	105 Å²	105	119.8 Å²	119.8	73%	0.734	72%	0.722	S	S	*	*			trans	-72.8	119	167.4	48.7	0	0	0	0	108	A13 A17	A13-S15 PolarHBondContact O-N 2.86Å; S15-A17 PolarHBondContact O-N 3.24Å
16	N	49.7	Very low	61.7	Low	147 Å²	147	116.9 Å²	116.9	79%	0.786	69%	0.692	S	S	*	*			trans	-59.7	102.3	168.2	-75.4	-18.5	0	0	0	107.5	V14 I18	V14-N16 PolarHBondContact O-N 3.14Å; N16-I18 PolarHBondContact O-N 3.07Å
17	A	51.2	Low	63.6	Low	90 Å²	90	114 Å²	114	74%	0.744	68%	0.678	S	S	*	*			trans	-60.7	99.6	172.9	0	0	0	0	0	108.5	S15 L19	S15-A17 PolarHBondContact O-N 3.24Å; A17-L19 PolarHBondContact O-N 3.19Å; A17-L19 VanDerWaalsContact O-N 3.15Å
18	I	51.5	Low	65.7	Low	148 Å²	148	108 Å²	108	76%	0.759	65%	0.649	S	S	*	*			trans	-66.5	111.2	166.2	-58.4	173.5	0	0	0	105.1	N16 I20	N16-I18 PolarHBondContact O-N 3.07Å; I18-I20 WeakPolarHBondContact O-CG1 3.36Å; I18-I20 PolarHBondContact O-N 2.64Å
19	L	53	Low	67.8	Low	145 Å²	145	104 Å²	104	76%	0.759	64%	0.639	S	S	*	*			trans	-67	94.7	178.2	-137	87.1	0	0	0	108.5	A17 G21	A17-L19 PolarHBondContact O-N 3.19Å; A17-L19 VanDerWaalsContact O-N 3.15Å; L19-G21 PolarHBondContact O-N 3.14Å
20	I	55.2	Low	69.8	Low	169 Å²	169	96.7 Å²	96.7	87%	0.867	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	100.7	179.6	-51.7	176	0	0	0	107.8	I18	I18-I20 WeakPolarHBondContact O-CG1 3.36Å; I18-I20 PolarHBondContact O-N 2.64Å
21	G	63.9	Low	71.7	Confident	46 Å²	46	96.3 Å²	96.3	47%	0.474	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	123.3	-9.6	173.4	0	0	0	0	0	116.1	L19 Q65	L19-G21 PolarHBondContact O-N 3.14Å; G21-Q65 PolarHBondContact O-NE2 3.49Å
22	G	81.4	Confident	73.8	Confident	24 Å²	24	94.8 Å²	94.8	25%	0.247	58%	0.584	C	S	.	*	S	Bend	trans	-77.9	163.4	170	0	0	0	0	0	112.2	S24	G22-S24 PolarHBondContact O-N 3.23Å
23	P	85.6	Confident	76	Confident	90 Å²	90	87.1 Å²	87.1	58%	0.584	54%	0.544	S	S	*	.			trans	-55.8	132	166	-22	33.2	0	0	0	110.7	S64 Q65	P23-S64 WeakPolarHBondContact CA-O 3.31Å; P23-Q65 HydrophobicContact CG-CB 4.43Å; P23-Q65 HydrophobicContact CG-CG 4.49Å
24	S	90.1	Very high	78.1	Confident	63 Å²	63	87.8 Å²	87.8	44%	0.441	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	141.4	174.4	61	0	0	0	0	110.2	G22 M26 T63 S64	G22-S24 PolarHBondContact O-N 3.23Å; S24-M26 PolarHBondContact O-N 3.2Å; S24-T63 CarbonylContact O-C 3.48Å; S24-T63 WeakPolarHBondContact O-CA 3.46Å; S24-S64 PolarHBondContact N-O 2.85Å; S24-S64 PolarHBondContact O-N 2.94Å; S24-S64 PolarHBondContact OG-O 3.1Å; S24-S64 PolarHBondContact OG-OG 2.91Å
25	T	94.3	Very high	80.2	Confident	121 Å²	121	84.1 Å²	84.1	74%	0.742	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	134.6	171	-54.2	0	0	0	0	109.3
26	M	92.5	Very high	82.2	Confident	36 Å²	36	79.2 Å²	79.2	18%	0.177	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	151.4	177.1	162.5	-178.2	-163.6	0	0	108.9	S24 P28 S30 T32 A33 V62 Y72	S24-M26 PolarHBondContact O-N 3.2Å; M26-P28 WeakPolarHBondContact O-CD 3.39Å; M26-S30 VanDerWaalsContact CE-OG 3.31Å; M26-S30 WeakPolarHBondContact CE-OG 3.34Å; M26-T32 VanDerWaalsContact CE-CB 3.41Å; M26-T32 HydrophobicContact CE-CG2 3.58Å; M26-A33 HydrophobicContact CE-CB 4.29Å; M26-V62 HydrophobicContact CB-CG1 3.37Å; M26-V62 HydrophobicContact CG-CG1 3.35Å; M26-V62 PolarHBondContact N-O 2.92Å; M26-V62 WeakPolarHBondContact O-CG1 3.35Å; M26-V62 HydrophobicContact SD-CG1 3.73Å; M26-Y72 HydrophobicContact SD-CD1 4.22Å; M26-Y72 HydrophobicContact SD-CE1 3.9Å
27	D	94.4	Very high	84.3	Confident	87 Å²	87	72.2 Å²	72.2	47%	0.465	43%	0.434	S	S	.	.			trans	-65.3	116.6	179.7	176.2	3.6	0	0	0	110.4	T29 S30	D27-T29 VanDerWaalsContact CG-OG1 3.27Å; D27-T29 PolarHBondContact O-N 2.8Å; D27-T29 VanDerWaalsContact O-N 3.13Å; D27-T29 WeakPolarHBondContact OD1-CB 3.45Å; D27-T29 PolarHBondContact OD1-N 2.85Å; D27-T29 PolarHBondContact OD1-OG1 3.4Å; D27-T29 PolarHBondContact OD2-OG1 3.03Å; D27-T29 VanDerWaalsContact OD2-OG1 3.04Å; D27-S30 VanDerWaalsContact O-CB 3.32Å; D27-S30 WeakPolarHBondContact O-CB 3.33Å; D27-S30 PolarHBondContact O-N 2.76Å; D27-S30 VanDerWaalsContact O-N 3.12Å; D27-S30 PolarHBondContact O-OG 3.06Å
28	P	95.9	Very high	86.4	Confident	36 Å²	36	69.9 Å²	69.9	23%	0.234	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-18.6	178.3	-23.6	35.8	0	0	0	114.2	M26 I59	M26-P28 WeakPolarHBondContact O-CD 3.39Å; P28-I59 HydrophobicContact CB-CB 4.09Å; P28-I59 HydrophobicContact CB-CG2 3.89Å
29	T	94.7	Very high	88.5	Confident	93 Å²	93	66.9 Å²	66.9	57%	0.571	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-8.7	-179.7	73	0	0	0	0	113.7	D27 K34	D27-T29 VanDerWaalsContact CG-OG1 3.27Å; D27-T29 PolarHBondContact O-N 2.8Å; D27-T29 VanDerWaalsContact O-N 3.13Å; D27-T29 WeakPolarHBondContact OD1-CB 3.45Å; D27-T29 PolarHBondContact OD1-N 2.85Å; D27-T29 PolarHBondContact OD1-OG1 3.4Å; D27-T29 PolarHBondContact OD2-OG1 3.03Å; D27-T29 VanDerWaalsContact OD2-OG1 3.04Å; T29-K34 WeakPolarHBondContact O-CE 3.46Å
30	S	96.6	Very high	90.4	Very high	26 Å²	26	60 Å²	60	18%	0.182	36%	0.355	C	S	.	.	S	Bend	trans	-60.3	150.7	-179	66.4	0	0	0	0	112.5	M26 D27 T32 A33 K34	M26-S30 VanDerWaalsContact CE-OG 3.31Å; M26-S30 WeakPolarHBondContact CE-OG 3.34Å; D27-S30 VanDerWaalsContact O-CB 3.32Å; D27-S30 WeakPolarHBondContact O-CB 3.33Å; D27-S30 PolarHBondContact O-N 2.76Å; D27-S30 VanDerWaalsContact O-N 3.12Å; D27-S30 PolarHBondContact O-OG 3.06Å; S30-T32 VanDerWaalsContact C-N 3.29Å; S30-T32 PolarHBondContact O-N 3.15Å; S30-A33 PolarHBondContact O-N 2.98Å; S30-A33 VanDerWaalsContact OG-CB 3.25Å; S30-A33 WeakPolarHBondContact OG-CB 3.18Å; S30-A33 PolarHBondContact OG-N 3.08Å; S30-K34 PolarHBondContact O-N 3.3Å; S30-K34 VanDerWaalsContact O-N 3.09Å
31	T	96.4	Very high	92.2	Very high	118 Å²	118	52.4 Å²	52.4	72%	0.724	32%	0.316	S	S	*	.	H	α-helix	trans	-58.9	-41.4	177.8	48.4	0	0	0	0	111.8	K34 D35	T31-K34 PolarHBondContact O-N 2.91Å; T31-D35 PolarHBondContact O-N 2.64Å
32	T	95.5	Very high	93.6	Very high	63 Å²	63	50.5 Å²	50.5	39%	0.387	30%	0.296	S	S	.	.	H	α-helix	trans	-63.2	-44.3	176	-53.1	0	0	0	0	111.5	M26 S30 K34 D35 I36	M26-T32 VanDerWaalsContact CE-CB 3.41Å; M26-T32 HydrophobicContact CE-CG2 3.58Å; S30-T32 VanDerWaalsContact C-N 3.29Å; S30-T32 PolarHBondContact O-N 3.15Å; T32-K34 VanDerWaalsContact C-N 3.29Å; T32-K34 PolarHBondContact O-N 3.36Å; T32-D35 PolarHBondContact O-N 3.08Å; T32-I36 HydrophobicContact CG2-CG1 4.39Å; T32-I36 VanDerWaalsContact O-CG1 3.3Å; T32-I36 WeakPolarHBondContact O-CG1 3.34Å; T32-I36 PolarHBondContact O-N 3.06Å
33	A	96.6	Very high	94.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.7	-41.5	177.6	0	0	0	0	0	111.3	M26 S30 A37 I59 V62 M74	M26-A33 HydrophobicContact CE-CB 4.29Å; S30-A33 PolarHBondContact O-N 2.98Å; S30-A33 VanDerWaalsContact OG-CB 3.25Å; S30-A33 WeakPolarHBondContact OG-CB 3.18Å; S30-A33 PolarHBondContact OG-N 3.08Å; A33-A37 WeakPolarHBondContact O-CB 3.48Å; A33-A37 PolarHBondContact O-N 2.84Å; A33-I59 HydrophobicContact CB-CD1 4.03Å; A33-I59 WeakPolarHBondContact O-CD1 3.41Å; A33-V62 HydrophobicContact CB-CG1 4.18Å; A33-M74 VanDerWaalsContact O-CE 3.26Å; A33-M74 WeakPolarHBondContact O-CE 3.47Å
34	K	96.2	Very high	94.3	Very high	107 Å²	107	48.4 Å²	48.4	47%	0.465	27%	0.272	S	S	.	.	H	α-helix	trans	-62.8	-46.1	175.3	-68.9	174.6	178	170.5	0	112.5	T29 S30 T31 T32 I36 A37 D38 I59	T29-K34 WeakPolarHBondContact O-CE 3.46Å; S30-K34 PolarHBondContact O-N 3.3Å; S30-K34 VanDerWaalsContact O-N 3.09Å; T31-K34 PolarHBondContact O-N 2.91Å; T32-K34 VanDerWaalsContact C-N 3.29Å; T32-K34 PolarHBondContact O-N 3.36Å; K34-I36 PolarHBondContact O-N 2.83Å; K34-A37 PolarHBondContact O-N 3.28Å; K34-D38 WeakPolarHBondContact O-CB 3.31Å; K34-D38 VanDerWaalsContact O-CG 3.25Å; K34-D38 PolarHBondContact O-N 2.87Å; K34-I59 HydrophobicContact CG-CD1 4.36Å
35	D	95.8	Very high	94.3	Very high	53 Å²	53	45.5 Å²	45.5	28%	0.283	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-41	179.2	-176.1	61.9	0	0	0	112.5	T31 T32 D38 K39	T31-D35 PolarHBondContact O-N 2.64Å; T32-D35 PolarHBondContact O-N 3.08Å; D35-D38 PolarHBondContact O-N 2.86Å; D35-K39 WeakPolarHBondContact O-CB 3.48Å; D35-K39 WeakPolarHBondContact O-CG 3.48Å; D35-K39 PolarHBondContact O-N 3.43Å; D35-K39 WeakPolarHBondContact OD1-CE 3.42Å; D35-K39 IonicContact OD1-NZ 3.25Å; D35-K39 WeakPolarHBondContact OD2-CE 3.3Å; D35-K39 IonicContact OD2-NZ 2.68Å; D35-K39 PolarHBondContact OD2-NZ 2.78Å
36	I	95.6	Very high	94.1	Very high	2 Å²	2	43 Å²	43	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-42.9	175.6	-59.6	-62.7	0	0	0	110.9	T32 K34 A40 Y72 M74 V113 F122	T32-I36 HydrophobicContact CG2-CG1 4.39Å; T32-I36 VanDerWaalsContact O-CG1 3.3Å; T32-I36 WeakPolarHBondContact O-CG1 3.34Å; T32-I36 PolarHBondContact O-N 3.06Å; K34-I36 PolarHBondContact O-N 2.83Å; I36-A40 VanDerWaalsContact O-CB 3.27Å; I36-A40 WeakPolarHBondContact O-CB 3.29Å; I36-A40 PolarHBondContact O-N 2.86Å; I36-Y72 HydrophobicContact CD1-CD2 4.06Å; I36-Y72 HydrophobicContact CD1-CE2 3.63Å; I36-Y72 HydrophobicContact CG1-CD2 4.09Å; I36-Y72 HydrophobicContact CG1-CE1 4.31Å; I36-Y72 HydrophobicContact CG1-CE2 3.87Å; I36-Y72 HydrophobicContact CG1-CG 4.4Å; I36-Y72 HydrophobicContact CG2-CD2 3.98Å; I36-Y72 HydrophobicContact CG2-CG 4.07Å; I36-M74 HydrophobicContact CB-CE 4.5Å; I36-M74 HydrophobicContact CB-SD 4.14Å; I36-M74 HydrophobicContact CG2-SD 3.56Å; I36-M74 VanDerWaalsContact CG2-SD 3.56Å; I36-V113 HydrophobicContact CG2-CB 3.97Å; I36-V113 HydrophobicContact CG2-CG1 4.03Å; I36-V113 HydrophobicContact CG2-CG2 3.8Å; I36-F122 HydrophobicContact CD1-CE2 3.86Å; I36-F122 HydrophobicContact CG2-CE2 4.48Å; I36-F122 HydrophobicContact CG2-CZ 4.43Å
37	A	94.7	Very high	93.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.1	-46.4	175.6	0	0	0	0	0	111.9	A33 K34 A40 L41 L56 I59 M74 M76	A33-A37 WeakPolarHBondContact O-CB 3.48Å; A33-A37 PolarHBondContact O-N 2.84Å; K34-A37 PolarHBondContact O-N 3.28Å; A37-A40 PolarHBondContact O-N 2.91Å; A37-L41 WeakPolarHBondContact O-CG 3.44Å; A37-L41 PolarHBondContact O-N 3.25Å; A37-L56 HydrophobicContact CB-CD1 4.23Å; A37-L56 HydrophobicContact CB-CD2 3.85Å; A37-I59 HydrophobicContact CB-CD1 3.74Å; A37-I59 HydrophobicContact CB-CG1 4.16Å; A37-M74 HydrophobicContact CB-CE 3.64Å; A37-M74 HydrophobicContact CB-SD 4.33Å; A37-M76 HydrophobicContact CB-SD 4.03Å
38	D	94.9	Very high	93.4	Very high	41 Å²	41	44.8 Å²	44.8	22%	0.219	25%	0.25	C	S	.	.	H	α-helix	trans	-64.6	-43.9	-178.4	-71.5	-22.7	0	0	0	111.6	K34 D35 A40 L41 A42 K94	K34-D38 WeakPolarHBondContact O-CB 3.31Å; K34-D38 VanDerWaalsContact O-CG 3.25Å; K34-D38 PolarHBondContact O-N 2.87Å; D35-D38 PolarHBondContact O-N 2.86Å; D38-A40 VanDerWaalsContact C-N 3.35Å; D38-L41 PolarHBondContact O-N 3.16Å; D38-A42 WeakPolarHBondContact O-CB 3.35Å; D38-A42 PolarHBondContact O-N 2.85Å; D38-K94 HydrophobicContact CB-CB 4.26Å; D38-K94 HydrophobicContact CB-CD 3.83Å
39	K	94.6	Very high	92.7	Very high	84 Å²	84	51.2 Å²	51.2	37%	0.365	28%	0.283	S	S	.	.	H	α-helix	trans	-64.4	-39.7	175	-73.7	175.5	-179.2	162.3	0	112	D35 L41 A42 D43 F122	D35-K39 WeakPolarHBondContact O-CB 3.48Å; D35-K39 WeakPolarHBondContact O-CG 3.48Å; D35-K39 PolarHBondContact O-N 3.43Å; D35-K39 WeakPolarHBondContact OD1-CE 3.42Å; D35-K39 IonicContact OD1-NZ 3.25Å; D35-K39 WeakPolarHBondContact OD2-CE 3.3Å; D35-K39 IonicContact OD2-NZ 2.68Å; D35-K39 PolarHBondContact OD2-NZ 2.78Å; K39-L41 VanDerWaalsContact C-N 3.34Å; K39-A42 PolarHBondContact O-N 2.8Å; K39-D43 PolarHBondContact O-N 3.3Å; K39-F122 HydrophobicContact CB-CD1 4.44Å; K39-F122 HydrophobicContact CB-CE1 3.66Å; K39-F122 HydrophobicContact CB-CE2 3.99Å; K39-F122 HydrophobicContact CB-CZ 3.39Å; K39-F122 HydrophobicContact CD-CD2 4.26Å; K39-F122 HydrophobicContact CD-CE2 3.94Å; K39-F122 HydrophobicContact CD-CZ 4.22Å; K39-F122 HydrophobicContact CG-CZ 4.47Å
40	A	93.5	Very high	92.2	Very high	2 Å²	2	49.7 Å²	49.7	2%	0.017	27%	0.271	C	S	.	.	H	α-helix	trans	-64.1	-40.4	175.6	0	0	0	0	0	112.2	I36 A37 D38 D43 R44 V111 V113 V124	I36-A40 VanDerWaalsContact O-CB 3.27Å; I36-A40 WeakPolarHBondContact O-CB 3.29Å; I36-A40 PolarHBondContact O-N 2.86Å; A37-A40 PolarHBondContact O-N 2.91Å; D38-A40 VanDerWaalsContact C-N 3.35Å; A40-D43 PolarHBondContact O-N 2.84Å; A40-R44 PolarHBondContact O-N 2.9Å; A40-V111 HydrophobicContact CB-CG1 3.95Å; A40-V113 HydrophobicContact CB-CG2 4.09Å; A40-V124 HydrophobicContact CB-CG1 4.26Å; A40-V124 HydrophobicContact CB-CG2 4.21Å
41	L	92.5	Very high	91.7	Very high	8 Å²	8	52.4 Å²	52.4	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-68.5	-36.7	174.9	-74.5	175.2	0	0	0	113	A37 D38 K39 D43 R44 N45 L56 M76 I78	A37-L41 WeakPolarHBondContact O-CG 3.44Å; A37-L41 PolarHBondContact O-N 3.25Å; D38-L41 PolarHBondContact O-N 3.16Å; K39-L41 VanDerWaalsContact C-N 3.34Å; L41-D43 VanDerWaalsContact C-N 3.33Å; L41-R44 PolarHBondContact O-N 2.88Å; L41-N45 VanDerWaalsContact O-CB 3.26Å; L41-N45 WeakPolarHBondContact O-CB 3.35Å; L41-N45 PolarHBondContact O-N 3.29Å; L41-N45 PolarHBondContact O-ND2 2.68Å; L41-L56 HydrophobicContact CD1-CB 3.58Å; L41-L56 HydrophobicContact CD1-CD1 4.16Å; L41-L56 HydrophobicContact CD1-CG 4.41Å; L41-M76 HydrophobicContact CD2-CE 4.07Å; L41-M76 HydrophobicContact CG-CE 4.14Å; L41-I78 HydrophobicContact CD1-CG2 4.25Å; L41-I78 HydrophobicContact CD2-CB 4.41Å; L41-I78 HydrophobicContact CD2-CD1 4.44Å; L41-I78 HydrophobicContact CD2-CG2 3.74Å
42	A	93.2	Very high	91.4	Very high	7 Å²	7	50.9 Å²	50.9	6%	0.058	27%	0.265	C	S	.	.	H	α-helix	trans	-60.5	-44.5	173.3	0	0	0	0	0	111.2	D38 K39 N45 A46 P90 D91	D38-A42 WeakPolarHBondContact O-CB 3.35Å; D38-A42 PolarHBondContact O-N 2.85Å; K39-A42 PolarHBondContact O-N 2.8Å; A42-N45 PolarHBondContact O-N 3.45Å; A42-A46 WeakPolarHBondContact O-CB 3.47Å; A42-A46 PolarHBondContact O-N 3.38Å; A42-P90 WeakPolarHBondContact O-CB 3.5Å; A42-D91 WeakPolarHBondContact CB-OD1 3.48Å
43	D	92.3	Very high	91.2	Very high	42 Å²	42	47.9 Å²	47.9	23%	0.225	25%	0.247	C	C	.	.	H	α-helix	trans	-62.3	-46.5	174.9	177.7	79.3	0	0	0	112.2	K39 A40 L41 N45 A46 K47 V124	K39-D43 PolarHBondContact O-N 3.3Å; A40-D43 PolarHBondContact O-N 2.84Å; L41-D43 VanDerWaalsContact C-N 3.33Å; D43-N45 PolarHBondContact O-N 3.31Å; D43-A46 PolarHBondContact O-N 3.38Å; D43-K47 VanDerWaalsContact CG-NZ 3.25Å; D43-K47 WeakPolarHBondContact O-CG 3.21Å; D43-K47 PolarHBondContact O-N 3.41Å; D43-K47 WeakPolarHBondContact OD1-CE 3.33Å; D43-K47 IonicContact OD1-NZ 3.08Å; D43-K47 PolarHBondContact OD1-NZ 3.37Å; D43-K47 VanDerWaalsContact OD1-NZ 3.08Å; D43-K47 WeakPolarHBondContact OD2-CE 3.01Å; D43-K47 IonicContact OD2-NZ 2.64Å; D43-K47 PolarHBondContact OD2-NZ 2.71Å; D43-V124 HydrophobicContact CB-CG2 3.75Å; D43-V124 WeakPolarHBondContact OD2-CB 3.39Å; D43-V124 WeakPolarHBondContact OD2-CG2 3.44Å
44	R	89.7	Confident	90.9	Very high	27 Å²	27	48.6 Å²	48.6	10%	0.102	25%	0.251	C	S	.	.	H	α-helix	trans	-57.2	-47.1	173	174.3	176.7	164.6	147	-1.8	111.8	A40 L41 A46 K47 S48 D54 I78 E107 V128	A40-R44 PolarHBondContact O-N 2.9Å; L41-R44 PolarHBondContact O-N 2.88Å; R44-A46 VanDerWaalsContact C-N 3.34Å; R44-A46 PolarHBondContact O-N 2.97Å; R44-K47 PolarHBondContact O-N 3.05Å; R44-S48 VanDerWaalsContact O-CB 3.29Å; R44-S48 WeakPolarHBondContact O-CB 3.33Å; R44-S48 PolarHBondContact O-N 2.95Å; R44-D54 IonicContact CZ-OD2 3.8Å; R44-D54 IonicContact NE-OD2 2.84Å; R44-D54 PolarHBondContact NE-OD2 3.41Å; R44-D54 IonicContact NH2-OD2 3.21Å; R44-D54 PolarHBondContact NH2-OD2 3.24Å; R44-I78 VanDerWaalsContact NH2-CD1 3.34Å; R44-E107 IonicContact CZ-OE1 2.71Å; R44-E107 IonicContact CZ-OE2 3.1Å; R44-E107 IonicContact NH1-OE1 2.76Å; R44-E107 PolarHBondContact NH1-OE1 3.12Å; R44-E107 IonicContact NH1-OE2 3.34Å; R44-E107 IonicContact NH2-OE1 3.58Å; R44-E107 PolarHBondContact NH2-OE1 3.06Å; R44-E107 IonicContact NH2-OE2 3.92Å; R44-E107 PolarHBondContact NH2-OE2 3.22Å; R44-V128 HydrophobicContact CG-CG2 4.37Å
45	N	91.2	Very high	90.6	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.011	24%	0.236	C	C	.	.	H	α-helix	trans	-65.1	-36.4	-179.8	-82.2	-35.2	0	0	0	112.3	L41 A42 D43 K47 D54 K85 P90	L41-N45 VanDerWaalsContact O-CB 3.26Å; L41-N45 WeakPolarHBondContact O-CB 3.35Å; L41-N45 PolarHBondContact O-N 3.29Å; L41-N45 PolarHBondContact O-ND2 2.68Å; A42-N45 PolarHBondContact O-N 3.45Å; D43-N45 PolarHBondContact O-N 3.31Å; N45-K47 VanDerWaalsContact C-N 3.34Å; N45-D54 PolarHBondContact ND2-O 2.99Å; N45-D54 PolarHBondContact OD1-N 2.76Å; N45-K85 WeakPolarHBondContact O-CE 3.49Å; N45-K85 PolarHBondContact O-NZ 2.98Å; N45-P90 HydrophobicContact CB-CB 3.93Å; N45-P90 HydrophobicContact CB-CG 4.41Å
46	A	90.4	Very high	90.4	Very high	69 Å²	69	44.2 Å²	44.2	57%	0.57	23%	0.233	S	C	*	.	H	α-helix	trans	-67.4	-32.9	174.8	0	0	0	0	0	112.8	A42 D43 R44 P90	A42-A46 WeakPolarHBondContact O-CB 3.47Å; A42-A46 PolarHBondContact O-N 3.38Å; D43-A46 PolarHBondContact O-N 3.38Å; R44-A46 VanDerWaalsContact C-N 3.34Å; R44-A46 PolarHBondContact O-N 2.97Å; A46-P90 HydrophobicContact CB-CB 4.21Å; A46-P90 HydrophobicContact CB-CG 4.06Å
47	K	87.5	Confident	90.2	Very high	122 Å²	122	47.1 Å²	47.1	53%	0.53	25%	0.248	S	C	.	.	H	α-helix	trans	-86.6	-24.5	178.6	-70.1	168	177.9	169.3	0	114.2	D43 R44 N45	D43-K47 VanDerWaalsContact CG-NZ 3.25Å; D43-K47 WeakPolarHBondContact O-CG 3.21Å; D43-K47 PolarHBondContact O-N 3.41Å; D43-K47 WeakPolarHBondContact OD1-CE 3.33Å; D43-K47 IonicContact OD1-NZ 3.08Å; D43-K47 PolarHBondContact OD1-NZ 3.37Å; D43-K47 VanDerWaalsContact OD1-NZ 3.08Å; D43-K47 WeakPolarHBondContact OD2-CE 3.01Å; D43-K47 IonicContact OD2-NZ 2.64Å; D43-K47 PolarHBondContact OD2-NZ 2.71Å; R44-K47 PolarHBondContact O-N 3.05Å; N45-K47 VanDerWaalsContact C-N 3.34Å
48	S	84.3	Confident	90	Very high	38 Å²	38	52.7 Å²	52.7	27%	0.266	27%	0.272	S	S	.	.			trans	-68.8	147	-179.4	163.6	0	0	0	0	111.6	R44 D50 K85	R44-S48 VanDerWaalsContact O-CB 3.29Å; R44-S48 WeakPolarHBondContact O-CB 3.33Å; R44-S48 PolarHBondContact O-N 2.95Å; S48-D50 WeakPolarHBondContact OG-CB 3.27Å; S48-D50 PolarHBondContact OG-N 3.15Å; S48-D50 VanDerWaalsContact OG-N 3.07Å; S48-K85 PolarHBondContact O-NZ 3.3Å; S48-K85 PolarHBondContact OG-NZ 3.47Å
49	N	81.6	Confident	90	Very high	171 Å²	171	51.8 Å²	51.8	91%	0.914	27%	0.267	S	S	*	.			trans	-96.5	5	172.1	-69	-39.7	0	0	0	113.3
50	D	83.5	Confident	89.9	Confident	61 Å²	61	51.1 Å²	51.1	33%	0.326	27%	0.27	S	S	.	.			trans	-63.1	150.1	175.2	-161.3	-36	0	0	0	110.8	S48 Y52 Q80 K85	S48-D50 WeakPolarHBondContact OG-CB 3.27Å; S48-D50 PolarHBondContact OG-N 3.15Å; S48-D50 VanDerWaalsContact OG-N 3.07Å; D50-Y52 VanDerWaalsContact C-N 3.32Å; D50-Y52 PolarHBondContact OD1-N 2.7Å; D50-Q80 PolarHBondContact OD2-NE2 2.8Å; D50-K85 WeakPolarHBondContact O-CD 3.43Å; D50-K85 WeakPolarHBondContact O-CE 3.16Å; D50-K85 PolarHBondContact O-NZ 2.86Å; D50-K85 VanDerWaalsContact O-NZ 3.16Å
51	L	85.6	Confident	89.8	Confident	84 Å²	84	54.5 Å²	54.5	44%	0.44	29%	0.285	S	S	.	.	S	Bend	trans	-70.6	-30.7	171.9	177.8	60.8	0	0	0	112	T84 K85	L51-T84 CarbonylContact O-C 3.56Å; L51-T84 VanDerWaalsContact O-CA 3.29Å; L51-T84 WeakPolarHBondContact O-CA 3.44Å; L51-K85 PolarHBondContact O-N 2.86Å
52	Y	89.8	Confident	89.9	Confident	85 Å²	85	54.1 Å²	54.1	33%	0.333	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	155.8	-176.8	-59.4	-80	0	0	0	111.9	D50 Q80 S81 C83 T84	D50-Y52 VanDerWaalsContact C-N 3.32Å; D50-Y52 PolarHBondContact OD1-N 2.7Å; Y52-Q80 HydrophobicContact CG-CG 4.43Å; Y52-S81 WeakPolarHBondContact CB-O 3.3Å; Y52-C83 VanDerWaalsContact CA-O 3.31Å; Y52-C83 WeakPolarHBondContact CA-O 3.43Å; Y52-T84 HydrophobicContact CD1-CG2 4.13Å; Y52-T84 HydrophobicContact CE1-CG2 3.88Å
53	H	91.1	Very high	90	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	143	173.6	-68.1	-72.7	0	0	0	111.7	S81 C83 V88 V93	H53-S81 VanDerWaalsContact O-CB 3.25Å; H53-S81 WeakPolarHBondContact O-CB 3.15Å; H53-S81 PolarHBondContact O-N 3.13Å; H53-S81 PolarHBondContact O-OG 3.05Å; H53-C83 PolarHBondContact N-O 2.98Å; H53-V88 PolarHBondContact CE1-O 3.05Å; H53-V88 PolarHBondContact NE2-O 3.22Å; H53-V93 HydrophobicContact CB-CG1 4.26Å; H53-V93 HydrophobicContact CB-CG2 3.75Å; H53-V93 VanDerWaalsContact CG-CG2 3.46Å
54	D	90.3	Very high	90.2	Very high	16 Å²	16	54.1 Å²	54.1	9%	0.086	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	141.7	161.5	-71	-35.4	0	0	0	110.1	R44 N45 I78 G79	R44-D54 IonicContact CZ-OD2 3.8Å; R44-D54 IonicContact NE-OD2 2.84Å; R44-D54 PolarHBondContact NE-OD2 3.41Å; R44-D54 IonicContact NH2-OD2 3.21Å; R44-D54 PolarHBondContact NH2-OD2 3.24Å; N45-D54 PolarHBondContact ND2-O 2.99Å; N45-D54 PolarHBondContact OD1-N 2.76Å; D54-I78 HydrophobicContact CB-CD1 4.34Å; D54-G79 CarbonylContact C-O 3.52Å; D54-G79 WeakPolarHBondContact CA-O 3.48Å
55	T	91.1	Very high	90.3	Very high	25 Å²	25	55.7 Å²	55.7	15%	0.153	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	153.1	175.6	-173.5	0	0	0	0	111.6	I78 G79 L100	T55-I78 CarbonylContact O-C 3.5Å; T55-I78 WeakPolarHBondContact O-CA 3.24Å; T55-I78 WeakPolarHBondContact O-CB 3.5Å; T55-G79 WeakPolarHBondContact CG2-O 3.4Å; T55-G79 PolarHBondContact N-O 2.73Å; T55-G79 PolarHBondContact O-N 2.84Å; T55-L100 HydrophobicContact CG2-CD2 3.42Å; T55-L100 VanDerWaalsContact CG2-CD2 3.42Å; T55-L100 HydrophobicContact CG2-CG 4.26Å
56	L	91.5	Very high	90.4	Very high	42 Å²	42	60.9 Å²	60.9	22%	0.22	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	124	178.5	-173.9	62.4	0	0	0	110.5	A37 L41 I59 M76	A37-L56 HydrophobicContact CB-CD1 4.23Å; A37-L56 HydrophobicContact CB-CD2 3.85Å; L41-L56 HydrophobicContact CD1-CB 3.58Å; L41-L56 HydrophobicContact CD1-CD1 4.16Å; L41-L56 HydrophobicContact CD1-CG 4.41Å; L56-I59 HydrophobicContact CD1-CG1 4.18Å; L56-I59 HydrophobicContact CD2-CD1 4.36Å; L56-I59 HydrophobicContact CD2-CG1 4.16Å; L56-M76 HydrophobicContact CD1-CB 4.04Å; L56-M76 HydrophobicContact CD1-CG 4.36Å; L56-M76 HydrophobicContact CD1-SD 3.6Å
57	I	90.9	Very high	90.5	Very high	64 Å²	64	60.4 Å²	60.4	33%	0.328	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-55.5	170.9	-60.6	177.3	0	0	0	109.8	Y77 I78 L100 A106	I57-Y77 WeakPolarHBondContact CA-O 3.48Å; I57-Y77 WeakPolarHBondContact CB-O 3.37Å; I57-Y77 PolarHBondContact N-O 3.22Å; I57-I78 WeakPolarHBondContact CD1-O 3.46Å; I57-L100 HydrophobicContact CD1-CD1 4.07Å; I57-L100 HydrophobicContact CD1-CD2 4.31Å; I57-L100 HydrophobicContact CG1-CD1 4.12Å; I57-L100 HydrophobicContact CG1-CD2 4.23Å; I57-A106 HydrophobicContact CD1-CB 3.67Å
58	K	91.2	Very high	90.7	Very high	117 Å²	117	60.2 Å²	60.2	51%	0.509	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	149.5	177.2	63.5	-179.9	179.9	-174.5	0	112.5	M76 Y77	K58-M76 CarbonylContact O-C 3.56Å; K58-M76 VanDerWaalsContact O-CA 3.26Å; K58-M76 WeakPolarHBondContact O-CA 3.44Å; K58-M76 WeakPolarHBondContact O-CB 3.38Å; K58-Y77 HydrophobicContact CD-CD2 4.17Å; K58-Y77 HydrophobicContact CG-CD2 3.84Å; K58-Y77 HydrophobicContact CG-CG 4.4Å; K58-Y77 PolarHBondContact N-O 3.33Å; K58-Y77 PolarHBondContact O-N 2.88Å
59	I	94.2	Very high	91.2	Very high	21 Å²	21	58.5 Å²	58.5	11%	0.108	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	128.2	167	-51.8	171.8	0	0	0	107.5	P28 A33 K34 A37 L56 V62 M74	P28-I59 HydrophobicContact CB-CB 4.09Å; P28-I59 HydrophobicContact CB-CG2 3.89Å; A33-I59 HydrophobicContact CB-CD1 4.03Å; A33-I59 WeakPolarHBondContact O-CD1 3.41Å; K34-I59 HydrophobicContact CG-CD1 4.36Å; A37-I59 HydrophobicContact CB-CD1 3.74Å; A37-I59 HydrophobicContact CB-CG1 4.16Å; L56-I59 HydrophobicContact CD1-CG1 4.18Å; L56-I59 HydrophobicContact CD2-CD1 4.36Å; L56-I59 HydrophobicContact CD2-CG1 4.16Å; I59-V62 HydrophobicContact CG2-CB 4.38Å; I59-M74 HydrophobicContact CD1-CE 3.92Å; I59-M74 HydrophobicContact CG1-CE 4.45Å; I59-M74 HydrophobicContact CG2-CE 4.25Å
60	V	92.7	Very high	91.9	Very high	70 Å²	70	52.5 Å²	52.5	42%	0.424	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-46.5	-178.5	179.9	0	0	0	0	110.6	K75 Y77	V60-K75 WeakPolarHBondContact CA-O 3.34Å; V60-K75 HydrophobicContact CB-CB 4.41Å; V60-K75 WeakPolarHBondContact CB-O 3.33Å; V60-K75 PolarHBondContact N-O 2.89Å; V60-Y77 HydrophobicContact CG2-CD2 3.47Å; V60-Y77 VanDerWaalsContact CG2-CD2 3.47Å; V60-Y77 HydrophobicContact CG2-CE2 3.48Å; V60-Y77 VanDerWaalsContact CG2-CE2 3.48Å
61	E	91.7	Very high	92.4	Very high	73 Å²	73	52.3 Å²	52.3	34%	0.341	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	139	-174.1	-171.9	-174.5	140.6	0	0	108	M74 K75	E61-M74 WeakPolarHBondContact O-CA 3.26Å; E61-K75 HydrophobicContact CB-CB 4.2Å; E61-K75 HydrophobicContact CB-CD 4.25Å; E61-K75 HydrophobicContact CB-CG 4.49Å; E61-K75 PolarHBondContact N-O 3.34Å; E61-K75 PolarHBondContact O-N 3.46Å; E61-K75 IonicContact OE1-NZ 3.29Å; E61-K75 PolarHBondContact OE1-NZ 2.85Å; E61-K75 VanDerWaalsContact OE1-NZ 3.1Å; E61-K75 WeakPolarHBondContact OE2-CD 3.4Å; E61-K75 IonicContact OE2-NZ 2.98Å; E61-K75 PolarHBondContact OE2-NZ 2.81Å
62	V	95.1	Very high	92.9	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	135	172.6	99.7	0	0	0	0	109.3	M26 A33 I59 N73 M74	M26-V62 HydrophobicContact CB-CG1 3.37Å; M26-V62 HydrophobicContact CG-CG1 3.35Å; M26-V62 PolarHBondContact N-O 2.92Å; M26-V62 WeakPolarHBondContact O-CG1 3.35Å; M26-V62 HydrophobicContact SD-CG1 3.73Å; A33-V62 HydrophobicContact CB-CG1 4.18Å; I59-V62 HydrophobicContact CG2-CB 4.38Å; V62-N73 WeakPolarHBondContact CA-O 3.39Å; V62-M74 HydrophobicContact CG2-CB 3.95Å; V62-M74 HydrophobicContact CG2-CE 3.67Å; V62-M74 HydrophobicContact CG2-CG 3.53Å; V62-M74 HydrophobicContact CG2-SD 4.28Å
63	T	94.6	Very high	93	Very high	27 Å²	27	47.1 Å²	47.1	17%	0.166	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145.5	170.5	60.4	0	0	0	0	109.1	S24 Y72 N73	S24-T63 CarbonylContact O-C 3.48Å; S24-T63 WeakPolarHBondContact O-CA 3.46Å; T63-Y72 CarbonylContact O-C 3.43Å; T63-Y72 VanDerWaalsContact O-CA 3.3Å; T63-Y72 WeakPolarHBondContact O-CA 3.37Å; T63-N73 PolarHBondContact N-O 2.86Å; T63-N73 PolarHBondContact O-N 3.07Å; T63-N73 WeakPolarHBondContact OG1-CB 3.29Å
64	S	95.7	Very high	93.1	Very high	22 Å²	22	47.1 Å²	47.1	15%	0.154	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.3	177.9	66.7	0	0	0	0	110.1	P23 S24 N71	P23-S64 WeakPolarHBondContact CA-O 3.31Å; S24-S64 PolarHBondContact N-O 2.85Å; S24-S64 PolarHBondContact O-N 2.94Å; S24-S64 PolarHBondContact OG-O 3.1Å; S24-S64 PolarHBondContact OG-OG 2.91Å; S64-N71 CarbonylContact C-O 3.5Å; S64-N71 VanDerWaalsContact CA-O 3.29Å; S64-N71 WeakPolarHBondContact CA-O 3.43Å
65	Q	92.7	Very high	93.1	Very high	60 Å²	60	49.1 Å²	49.1	28%	0.28	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	120.7	173.3	-173.6	-175.9	21.8	0	0	109.3	G21 P23 V67 I70 N71	G21-Q65 PolarHBondContact O-NE2 3.49Å; P23-Q65 HydrophobicContact CG-CB 4.43Å; P23-Q65 HydrophobicContact CG-CG 4.49Å; Q65-V67 HydrophobicContact CG-CG1 4.18Å; Q65-V67 PolarHBondContact O-N 2.64Å; Q65-I70 WeakPolarHBondContact O-CA 3.22Å; Q65-N71 HydrophobicContact CB-CB 4.35Å; Q65-N71 PolarHBondContact N-O 3.15Å; Q65-N71 PolarHBondContact O-N 3.29Å
66	V	93	Very high	93	Very high	111 Å²	111	48 Å²	48	67%	0.673	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	124	172.6	-177.7	0	0	0	0	108.4
67	V	91.7	Very high	92.9	Very high	58 Å²	58	49.4 Å²	49.4	35%	0.352	26%	0.256	S	S	.	.	S	Bend	trans	-130.6	-151.2	174.4	-64.7	0	0	0	0	107.9	Q65 G69 Y114	Q65-V67 HydrophobicContact CG-CG1 4.18Å; Q65-V67 PolarHBondContact O-N 2.64Å; V67-G69 CarbonylContact C-O 3.59Å; V67-G69 PolarHBondContact N-O 3.16Å; V67-G69 PolarHBondContact O-N 2.83Å; V67-G69 VanDerWaalsContact O-O 3.13Å; V67-Y114 HydrophobicContact CG2-CD2 4.33Å; V67-Y114 HydrophobicContact CG2-CE2 3.98Å
68	N	93.1	Very high	92.8	Very high	118 Å²	118	46.4 Å²	46.4	63%	0.631	24%	0.24	S	C	*	.	S	Bend	trans	-71.9	56.1	161.9	-171.9	29	0	0	0	110.6	Y114 Q116	N68-Y114 PolarHBondContact O-OH 3.44Å; N68-Q116 PolarHBondContact O-NE2 2.95Å
69	G	94.6	Very high	92.6	Very high	2 Å²	2	40.9 Å²	40.9	2%	0.021	22%	0.216	C	C	.	.	S	Bend	trans	139.5	-159.9	-162.4	0	0	0	0	0	109.2	V67 D115 W118	V67-G69 CarbonylContact C-O 3.59Å; V67-G69 PolarHBondContact N-O 3.16Å; V67-G69 PolarHBondContact O-N 2.83Å; V67-G69 VanDerWaalsContact O-O 3.13Å; G69-D115 CarbonylContact C-O 3.43Å; G69-D115 WeakPolarHBondContact CA-O 3Å; G69-W118 VanDerWaalsContact N-CH2 3.35Å
70	I	95.4	Very high	92.3	Very high	45 Å²	45	42 Å²	42	23%	0.231	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	123.7	174.9	-52.1	174.8	0	0	0	108.7	Q65 Y72 Y114 D115	Q65-I70 WeakPolarHBondContact O-CA 3.22Å; I70-Y72 HydrophobicContact CB-CE2 3.79Å; I70-Y72 WeakPolarHBondContact CD1-OH 3.38Å; I70-Y72 HydrophobicContact CG2-CD1 4.32Å; I70-Y72 HydrophobicContact CG2-CD2 4.07Å; I70-Y72 HydrophobicContact CG2-CE1 3.8Å; I70-Y72 HydrophobicContact CG2-CE2 3.52Å; I70-Y72 HydrophobicContact CG2-CG 4.44Å; I70-Y114 WeakPolarHBondContact O-CA 3.27Å; I70-D115 PolarHBondContact N-O 2.71Å; I70-D115 PolarHBondContact O-N 2.93Å
71	N	94.8	Very high	92.2	Very high	58 Å²	58	38.7 Å²	38.7	31%	0.31	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.5	166.4	-69.6	-33.5	0	0	0	108.8	S64 Q65 V113 Y114	S64-N71 CarbonylContact C-O 3.5Å; S64-N71 VanDerWaalsContact CA-O 3.29Å; S64-N71 WeakPolarHBondContact CA-O 3.43Å; Q65-N71 HydrophobicContact CB-CB 4.35Å; Q65-N71 PolarHBondContact N-O 3.15Å; Q65-N71 PolarHBondContact O-N 3.29Å; N71-V113 CarbonylContact C-O 3.58Å; N71-V113 VanDerWaalsContact CA-O 3.31Å; N71-V113 WeakPolarHBondContact CA-O 3.34Å; N71-Y114 WeakPolarHBondContact OD1-CD2 3.32Å
72	Y	95.5	Very high	92.1	Very high	17 Å²	17	40.5 Å²	40.5	7%	0.067	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.8	168.3	-58.2	-86.5	0	0	0	109.7	M26 I36 T63 I70 K112 V113 D115	M26-Y72 HydrophobicContact SD-CD1 4.22Å; M26-Y72 HydrophobicContact SD-CE1 3.9Å; I36-Y72 HydrophobicContact CD1-CD2 4.06Å; I36-Y72 HydrophobicContact CD1-CE2 3.63Å; I36-Y72 HydrophobicContact CG1-CD2 4.09Å; I36-Y72 HydrophobicContact CG1-CE1 4.31Å; I36-Y72 HydrophobicContact CG1-CE2 3.87Å; I36-Y72 HydrophobicContact CG1-CG 4.4Å; I36-Y72 HydrophobicContact CG2-CD2 3.98Å; I36-Y72 HydrophobicContact CG2-CG 4.07Å; T63-Y72 CarbonylContact O-C 3.43Å; T63-Y72 VanDerWaalsContact O-CA 3.3Å; T63-Y72 WeakPolarHBondContact O-CA 3.37Å; I70-Y72 HydrophobicContact CB-CE2 3.79Å; I70-Y72 WeakPolarHBondContact CD1-OH 3.38Å; I70-Y72 HydrophobicContact CG2-CD1 4.32Å; I70-Y72 HydrophobicContact CG2-CD2 4.07Å; I70-Y72 HydrophobicContact CG2-CE1 3.8Å; I70-Y72 HydrophobicContact CG2-CE2 3.52Å; I70-Y72 HydrophobicContact CG2-CG 4.44Å; Y72-K112 CarbonylContact O-C 3.5Å; Y72-K112 WeakPolarHBondContact O-CA 3.38Å; Y72-V113 HydrophobicContact CD2-CB 4.37Å; Y72-V113 HydrophobicContact CD2-CG1 4.41Å; Y72-V113 PolarHBondContact N-O 2.88Å; Y72-V113 PolarHBondContact O-N 2.92Å; Y72-D115 HydrophobicContact CD2-CB 4.47Å; Y72-D115 HydrophobicContact CE2-CB 3.95Å
73	N	92.9	Very high	92	Very high	42 Å²	42	41.4 Å²	41.4	23%	0.225	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119.4	164.6	-175.2	-86.2	0	0	0	108.2	V62 T63 V111 K112	V62-N73 WeakPolarHBondContact CA-O 3.39Å; T63-N73 PolarHBondContact N-O 2.86Å; T63-N73 PolarHBondContact O-N 3.07Å; T63-N73 WeakPolarHBondContact OG1-CB 3.29Å; N73-V111 WeakPolarHBondContact CA-O 3.49Å; N73-K112 WeakPolarHBondContact ND2-CG 3.45Å
74	M	93	Very high	91.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131.3	-173.8	-40.6	-168.8	66.2	0	0	110.1	A33 I36 A37 I59 E61 V62 T110 V111	A33-M74 VanDerWaalsContact O-CE 3.26Å; A33-M74 WeakPolarHBondContact O-CE 3.47Å; I36-M74 HydrophobicContact CB-CE 4.5Å; I36-M74 HydrophobicContact CB-SD 4.14Å; I36-M74 HydrophobicContact CG2-SD 3.56Å; I36-M74 VanDerWaalsContact CG2-SD 3.56Å; A37-M74 HydrophobicContact CB-CE 3.64Å; A37-M74 HydrophobicContact CB-SD 4.33Å; I59-M74 HydrophobicContact CD1-CE 3.92Å; I59-M74 HydrophobicContact CG1-CE 4.45Å; I59-M74 HydrophobicContact CG2-CE 4.25Å; E61-M74 WeakPolarHBondContact O-CA 3.26Å; V62-M74 HydrophobicContact CG2-CB 3.95Å; V62-M74 HydrophobicContact CG2-CE 3.67Å; V62-M74 HydrophobicContact CG2-CG 3.53Å; V62-M74 HydrophobicContact CG2-SD 4.28Å; M74-T110 CarbonylContact O-C 3.54Å; M74-T110 VanDerWaalsContact O-CA 3.24Å; M74-T110 WeakPolarHBondContact O-CA 3.44Å; M74-V111 PolarHBondContact N-O 3.2Å; M74-V111 PolarHBondContact O-N 3.23Å
75	K	90	Very high	91.7	Very high	58 Å²	58	43 Å²	43	25%	0.252	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121.6	163	-60.5	175.7	-166.4	153.3	0	107.5	V60 E61 C109	V60-K75 WeakPolarHBondContact CA-O 3.34Å; V60-K75 HydrophobicContact CB-CB 4.41Å; V60-K75 WeakPolarHBondContact CB-O 3.33Å; V60-K75 PolarHBondContact N-O 2.89Å; E61-K75 HydrophobicContact CB-CB 4.2Å; E61-K75 HydrophobicContact CB-CD 4.25Å; E61-K75 HydrophobicContact CB-CG 4.49Å; E61-K75 PolarHBondContact N-O 3.34Å; E61-K75 PolarHBondContact O-N 3.46Å; E61-K75 IonicContact OE1-NZ 3.29Å; E61-K75 PolarHBondContact OE1-NZ 2.85Å; E61-K75 VanDerWaalsContact OE1-NZ 3.1Å; E61-K75 WeakPolarHBondContact OE2-CD 3.4Å; E61-K75 IonicContact OE2-NZ 2.98Å; E61-K75 PolarHBondContact OE2-NZ 2.81Å; K75-C109 WeakPolarHBondContact CA-O 3.49Å
76	M	90	Very high	91.6	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	159	-177.2	57.5	179.7	174.7	0	0	111.7	A37 L41 L56 K58 I78 K108 C109 V111	A37-M76 HydrophobicContact CB-SD 4.03Å; L41-M76 HydrophobicContact CD2-CE 4.07Å; L41-M76 HydrophobicContact CG-CE 4.14Å; L56-M76 HydrophobicContact CD1-CB 4.04Å; L56-M76 HydrophobicContact CD1-CG 4.36Å; L56-M76 HydrophobicContact CD1-SD 3.6Å; K58-M76 CarbonylContact O-C 3.56Å; K58-M76 VanDerWaalsContact O-CA 3.26Å; K58-M76 WeakPolarHBondContact O-CA 3.44Å; K58-M76 WeakPolarHBondContact O-CB 3.38Å; M76-I78 HydrophobicContact CE-CG2 4.3Å; M76-I78 HydrophobicContact CG-CG2 4.09Å; M76-I78 HydrophobicContact SD-CG2 4.16Å; M76-K108 CarbonylContact O-C 3.59Å; M76-K108 WeakPolarHBondContact O-CA 3.42Å; M76-C109 HydrophobicContact CG-CB 4.28Å; M76-C109 PolarHBondContact N-O 2.73Å; M76-C109 PolarHBondContact O-N 3.13Å; M76-V111 HydrophobicContact CE-CB 4.23Å; M76-V111 HydrophobicContact CE-CG2 3.43Å; M76-V111 VanDerWaalsContact CE-CG2 3.43Å
77	Y	88.1	Confident	91.6	Very high	72 Å²	72	49.5 Å²	49.5	28%	0.282	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	135.8	165.9	-72.4	-84	0	0	0	109.4	I57 K58 V60 A106 E107 K108	I57-Y77 WeakPolarHBondContact CA-O 3.48Å; I57-Y77 WeakPolarHBondContact CB-O 3.37Å; I57-Y77 PolarHBondContact N-O 3.22Å; K58-Y77 HydrophobicContact CD-CD2 4.17Å; K58-Y77 HydrophobicContact CG-CD2 3.84Å; K58-Y77 HydrophobicContact CG-CG 4.4Å; K58-Y77 PolarHBondContact N-O 3.33Å; K58-Y77 PolarHBondContact O-N 2.88Å; V60-Y77 HydrophobicContact CG2-CD2 3.47Å; V60-Y77 VanDerWaalsContact CG2-CD2 3.47Å; V60-Y77 HydrophobicContact CG2-CE2 3.48Å; V60-Y77 VanDerWaalsContact CG2-CE2 3.48Å; Y77-A106 HydrophobicContact CD1-CB 3.84Å; Y77-A106 HydrophobicContact CG-CB 4.46Å; Y77-E107 CarbonylContact C-O 3.49Å; Y77-E107 VanDerWaalsContact CA-O 3.24Å; Y77-E107 WeakPolarHBondContact CA-O 3.42Å; Y77-K108 HydrophobicContact CD1-CB 4.15Å; Y77-K108 HydrophobicContact CE1-CB 3.78Å; Y77-K108 HydrophobicContact CE1-CG 4.33Å
78	I	89.2	Confident	91.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	163.8	178.7	68.2	172.1	0	0	0	108.3	L41 R44 D54 T55 I57 M76 A106 E107 C109	L41-I78 HydrophobicContact CD1-CG2 4.25Å; L41-I78 HydrophobicContact CD2-CB 4.41Å; L41-I78 HydrophobicContact CD2-CD1 4.44Å; L41-I78 HydrophobicContact CD2-CG2 3.74Å; R44-I78 VanDerWaalsContact NH2-CD1 3.34Å; D54-I78 HydrophobicContact CB-CD1 4.34Å; T55-I78 CarbonylContact O-C 3.5Å; T55-I78 WeakPolarHBondContact O-CA 3.24Å; T55-I78 WeakPolarHBondContact O-CB 3.5Å; I57-I78 WeakPolarHBondContact CD1-O 3.46Å; M76-I78 HydrophobicContact CE-CG2 4.3Å; M76-I78 HydrophobicContact CG-CG2 4.09Å; M76-I78 HydrophobicContact SD-CG2 4.16Å; I78-A106 CarbonylContact O-C 3.56Å; I78-A106 WeakPolarHBondContact O-CA 3.13Å; I78-E107 HydrophobicContact CD1-CB 4.47Å; I78-E107 HydrophobicContact CG1-CB 3.86Å; I78-E107 HydrophobicContact CG1-CG 4.4Å; I78-E107 PolarHBondContact N-O 2.84Å; I78-E107 PolarHBondContact O-N 3.23Å; I78-C109 HydrophobicContact CD1-CB 4.24Å; I78-C109 HydrophobicContact CG1-CB 4.49Å; I78-C109 HydrophobicContact CG2-CB 4.5Å
79	G	87.2	Confident	91.9	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	153.4	173.6	0	0	0	0	0	111.9	D54 T55 S81	D54-G79 CarbonylContact C-O 3.52Å; D54-G79 WeakPolarHBondContact CA-O 3.48Å; T55-G79 WeakPolarHBondContact CG2-O 3.4Å; T55-G79 PolarHBondContact N-O 2.73Å; T55-G79 PolarHBondContact O-N 2.84Å; G79-S81 PolarHBondContact O-N 3.21Å
80	Q	86.8	Confident	91.7	Very high	45 Å²	45	50.6 Å²	50.6	21%	0.21	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	129.8	176.3	-169.8	-176.3	78.6	0	0	109.3	D50 Y52 S101	D50-Q80 PolarHBondContact OD2-NE2 2.8Å; Y52-Q80 HydrophobicContact CG-CG 4.43Å; Q80-S101 WeakPolarHBondContact O-CB 3.49Å; Q80-S101 PolarHBondContact O-N 3.41Å
81	S	90.9	Very high	91.7	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	170.7	176.6	76.1	0	0	0	0	112.4	Y52 H53 G79 C83 E99	Y52-S81 WeakPolarHBondContact CB-O 3.3Å; H53-S81 VanDerWaalsContact O-CB 3.25Å; H53-S81 WeakPolarHBondContact O-CB 3.15Å; H53-S81 PolarHBondContact O-N 3.13Å; H53-S81 PolarHBondContact O-OG 3.05Å; G79-S81 PolarHBondContact O-N 3.21Å; S81-C83 VanDerWaalsContact C-N 3.29Å; S81-C83 WeakPolarHBondContact OG-CB 3.25Å; S81-C83 PolarHBondContact OG-N 3.34Å; S81-E99 CarbonylContact C-O 3.6Å; S81-E99 WeakPolarHBondContact CA-O 3.26Å; S81-E99 WeakPolarHBondContact CB-O 3.47Å
82	K	90.2	Very high	91.7	Very high	112 Å²	112	54.9 Å²	54.9	49%	0.487	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	-9.7	168.8	-60.8	179.6	-170.9	163.2	0	113	T84 E99 L100	K82-T84 PolarHBondContact O-N 2.88Å; K82-E99 HydrophobicContact CD-CB 4.22Å; K82-E99 PolarHBondContact N-O 3.22Å; K82-E99 IonicContact NZ-OE2 2.73Å; K82-E99 PolarHBondContact NZ-OE2 2.84Å; K82-L100 WeakPolarHBondContact CE-O 3.38Å
83	C	92.9	Very high	91.5	Very high	20 Å²	20	54.5 Å²	54.5	14%	0.135	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	128	179.3	-74.5	0	0	0	0	110.3	Y52 H53 S81 V88 C98	Y52-C83 VanDerWaalsContact CA-O 3.31Å; Y52-C83 WeakPolarHBondContact CA-O 3.43Å; H53-C83 PolarHBondContact N-O 2.98Å; S81-C83 VanDerWaalsContact C-N 3.29Å; S81-C83 WeakPolarHBondContact OG-CB 3.25Å; S81-C83 PolarHBondContact OG-N 3.34Å; C83-V88 HydrophobicContact CB-CB 4.37Å; C83-V88 HydrophobicContact CB-CG2 4.04Å; C83-C98 HydrophobicContact CB-CB 3.81Å; C83-C98 WeakPolarHBondContact CB-SG 3.39Å; C83-C98 WeakPolarHBondContact SG-CA 3.41Å; C83-C98 WeakPolarHBondContact SG-CB 3.49Å; C83-C98 CovalentContact SG-SG 2.03Å; C83-C98 PolarHBondContact SG-SG 2.85Å
84	T	93.1	Very high	91.5	Very high	22 Å²	22	57.2 Å²	57.2	14%	0.135	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	156	175.6	84.3	0	0	0	0	111.2	L51 Y52 K82 K86 D87 V88	L51-T84 CarbonylContact O-C 3.56Å; L51-T84 VanDerWaalsContact O-CA 3.29Å; L51-T84 WeakPolarHBondContact O-CA 3.44Å; Y52-T84 HydrophobicContact CD1-CG2 4.13Å; Y52-T84 HydrophobicContact CE1-CG2 3.88Å; K82-T84 PolarHBondContact O-N 2.88Å; T84-K86 PolarHBondContact O-N 3.44Å; T84-K86 PolarHBondContact OG1-N 3Å; T84-D87 PolarHBondContact O-N 3.26Å; T84-D87 VanDerWaalsContact OG1-CG 3.22Å; T84-D87 PolarHBondContact OG1-N 2.95Å; T84-D87 PolarHBondContact OG1-OD2 3.24Å; T84-V88 PolarHBondContact O-N 3.34Å; T84-V88 VanDerWaalsContact O-N 3.07Å
85	K	89.8	Confident	91.5	Very high	59 Å²	59	62.7 Å²	62.7	26%	0.257	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-13.2	172.2	-60.9	-165.4	-177.4	179.7	0	114.2	N45 S48 D50 L51	N45-K85 WeakPolarHBondContact O-CE 3.49Å; N45-K85 PolarHBondContact O-NZ 2.98Å; S48-K85 PolarHBondContact O-NZ 3.3Å; S48-K85 PolarHBondContact OG-NZ 3.47Å; D50-K85 WeakPolarHBondContact O-CD 3.43Å; D50-K85 WeakPolarHBondContact O-CE 3.16Å; D50-K85 PolarHBondContact O-NZ 2.86Å; D50-K85 VanDerWaalsContact O-NZ 3.16Å; L51-K85 PolarHBondContact O-N 2.86Å
86	K	91.4	Very high	91.4	Very high	182 Å²	182	62.1 Å²	62.1	79%	0.791	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-32.9	174.5	-63.7	-178.3	-179.7	176.3	0	111.9	T84	T84-K86 PolarHBondContact O-N 3.44Å; T84-K86 PolarHBondContact OG1-N 3Å
87	D	93.4	Very high	91.3	Very high	126 Å²	126	71.1 Å²	71.1	67%	0.674	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-32.4	-173	-54.3	-46.2	0	0	0	112.4	T84	T84-D87 PolarHBondContact O-N 3.26Å; T84-D87 VanDerWaalsContact OG1-CG 3.22Å; T84-D87 PolarHBondContact OG1-N 2.95Å; T84-D87 PolarHBondContact OG1-OD2 3.24Å
88	V	95.1	Very high	91.4	Very high	23 Å²	23	68.4 Å²	68.4	14%	0.139	34%	0.339	C	S	.	.	S	Bend	trans	-128.5	136	-175.3	-177.7	0	0	0	0	109.2	H53 C83 T84 D92 V93 A96	H53-V88 PolarHBondContact CE1-O 3.05Å; H53-V88 PolarHBondContact NE2-O 3.22Å; C83-V88 HydrophobicContact CB-CB 4.37Å; C83-V88 HydrophobicContact CB-CG2 4.04Å; T84-V88 PolarHBondContact O-N 3.34Å; T84-V88 VanDerWaalsContact O-N 3.07Å; V88-D92 HydrophobicContact CG1-CB 4.09Å; V88-V93 HydrophobicContact CG1-CG2 3.96Å; V88-A96 HydrophobicContact CG1-CB 3.74Å; V88-A96 HydrophobicContact CG2-CB 4.05Å
89	K	95	Very high	91.4	Very high	146 Å²	146	74.3 Å²	74.3	64%	0.635	37%	0.367	S	S	*	.			trans	-79.6	150.5	171.9	-65	176.9	175.9	175.2	0	110.1	D91 D92 V93	K89-D91 VanDerWaalsContact C-N 3.25Å; K89-D91 PolarHBondContact O-N 2.75Å; K89-D91 VanDerWaalsContact O-N 3.15Å; K89-D92 HydrophobicContact CB-CB 4.48Å; K89-D92 WeakPolarHBondContact CB-OD2 3.32Å; K89-D92 PolarHBondContact O-N 2.95Å; K89-V93 PolarHBondContact O-N 2.79Å
90	P	91.6	Very high	91.3	Very high	33 Å²	33	76.2 Å²	76.2	21%	0.214	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-49.2	-41.9	178.7	-29.2	35.1	0	0	0	114.7	A42 N45 A46 D92 V93	A42-P90 WeakPolarHBondContact O-CB 3.5Å; N45-P90 HydrophobicContact CB-CB 3.93Å; N45-P90 HydrophobicContact CB-CG 4.41Å; A46-P90 HydrophobicContact CB-CB 4.21Å; A46-P90 HydrophobicContact CB-CG 4.06Å; P90-D92 VanDerWaalsContact C-N 3.27Å; P90-D92 PolarHBondContact O-N 2.95Å; P90-V93 WeakPolarHBondContact O-CG2 3.21Å
91	D	93.9	Very high	91	Very high	116 Å²	116	76.2 Å²	76.2	62%	0.62	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-70.5	-21	-179.8	-63.1	-46.6	0	0	0	114.2	A42 K89	A42-D91 WeakPolarHBondContact CB-OD1 3.48Å; K89-D91 VanDerWaalsContact C-N 3.25Å; K89-D91 PolarHBondContact O-N 2.75Å; K89-D91 VanDerWaalsContact O-N 3.15Å
92	D	95	Very high	90.2	Very high	77 Å²	77	77.9 Å²	77.9	41%	0.412	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-92.8	-10.3	-175.4	-66.5	-41.2	0	0	0	112.6	V88 K89 P90 K94 N95 A96	V88-D92 HydrophobicContact CG1-CB 4.09Å; K89-D92 HydrophobicContact CB-CB 4.48Å; K89-D92 WeakPolarHBondContact CB-OD2 3.32Å; K89-D92 PolarHBondContact O-N 2.95Å; P90-D92 VanDerWaalsContact C-N 3.27Å; P90-D92 PolarHBondContact O-N 2.95Å; D92-K94 VanDerWaalsContact C-N 3.26Å; D92-K94 PolarHBondContact O-N 3.45Å; D92-N95 PolarHBondContact O-N 2.89Å; D92-A96 WeakPolarHBondContact O-CB 3.29Å; D92-A96 PolarHBondContact O-N 3.32Å
93	V	92.9	Very high	89	Confident	9 Å²	9	77.4 Å²	77.4	6%	0.055	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-40.7	-176.3	176	0	0	0	0	112	H53 V88 K89 P90 N95 A96	H53-V93 HydrophobicContact CB-CG1 4.26Å; H53-V93 HydrophobicContact CB-CG2 3.75Å; H53-V93 VanDerWaalsContact CG-CG2 3.46Å; V88-V93 HydrophobicContact CG1-CG2 3.96Å; K89-V93 PolarHBondContact O-N 2.79Å; P90-V93 WeakPolarHBondContact O-CG2 3.21Å; V93-N95 PolarHBondContact O-N 2.88Å; V93-A96 PolarHBondContact O-N 3.37Å
94	K	91.7	Very high	87.5	Confident	99 Å²	99	81.1 Å²	81.1	43%	0.43	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.3	178.7	71.7	-174	-176.7	-177.4	0	113.6	D38 D92	D38-K94 HydrophobicContact CB-CB 4.26Å; D38-K94 HydrophobicContact CB-CD 3.83Å; D92-K94 VanDerWaalsContact C-N 3.26Å; D92-K94 PolarHBondContact O-N 3.45Å
95	N	92.6	Very high	86.2	Confident	115 Å²	115	80.4 Å²	80.4	62%	0.615	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-24.3	-178.1	-64.9	-40.3	0	0	0	112.6	D92 V93 K97	D92-N95 PolarHBondContact O-N 2.89Å; V93-N95 PolarHBondContact O-N 2.88Å; N95-K97 PolarHBondContact O-N 3Å; N95-K97 VanDerWaalsContact O-N 3.13Å
96	A	89.6	Confident	85.7	Confident	45 Å²	45	79.9 Å²	79.9	37%	0.372	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-5.3	-175.5	0	0	0	0	0	114.2	V88 D92 V93 C98	V88-A96 HydrophobicContact CG1-CB 3.74Å; V88-A96 HydrophobicContact CG2-CB 4.05Å; D92-A96 WeakPolarHBondContact O-CB 3.29Å; D92-A96 PolarHBondContact O-N 3.32Å; V93-A96 PolarHBondContact O-N 3.37Å; A96-C98 PolarHBondContact O-N 3.09Å
97	K	86.9	Confident	85	Confident	191 Å²	191	72.6 Å²	72.6	83%	0.83	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	44.1	-177.9	-60.3	-179.1	-179.6	179	0	112.1	N95 E99	N95-K97 PolarHBondContact O-N 3Å; N95-K97 VanDerWaalsContact O-N 3.13Å; K97-E99 PolarHBondContact O-N 3.23Å
98	C	89.8	Confident	84.5	Confident	15 Å²	15	72.7 Å²	72.7	10%	0.101	39%	0.385	C	S	.	.			trans	-62.3	115.6	-178.3	-66.6	0	0	0	0	111.4	C83 A96	C83-C98 HydrophobicContact CB-CB 3.81Å; C83-C98 WeakPolarHBondContact CB-SG 3.39Å; C83-C98 WeakPolarHBondContact SG-CA 3.41Å; C83-C98 WeakPolarHBondContact SG-CB 3.49Å; C83-C98 CovalentContact SG-SG 2.03Å; C83-C98 PolarHBondContact SG-SG 2.85Å; A96-C98 PolarHBondContact O-N 3.09Å
99	E	88.9	Confident	83.9	Confident	125 Å²	125	71.8 Å²	71.8	58%	0.584	38%	0.38	S	S	*	.			trans	-65.5	145.1	173.7	-66.8	-176.7	179	0	0	110.9	S81 K82 K97	S81-E99 CarbonylContact C-O 3.6Å; S81-E99 WeakPolarHBondContact CA-O 3.26Å; S81-E99 WeakPolarHBondContact CB-O 3.47Å; K82-E99 HydrophobicContact CD-CB 4.22Å; K82-E99 PolarHBondContact N-O 3.22Å; K82-E99 IonicContact NZ-OE2 2.73Å; K82-E99 PolarHBondContact NZ-OE2 2.84Å; K97-E99 PolarHBondContact O-N 3.23Å
100	L	86.3	Confident	83.6	Confident	41 Å²	41	66.9 Å²	66.9	22%	0.215	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-63.9	139.3	169.6	-68.6	170.7	0	0	0	110.2	T55 I57 K82 N102	T55-L100 HydrophobicContact CG2-CD2 3.42Å; T55-L100 VanDerWaalsContact CG2-CD2 3.42Å; T55-L100 HydrophobicContact CG2-CG 4.26Å; I57-L100 HydrophobicContact CD1-CD1 4.07Å; I57-L100 HydrophobicContact CD1-CD2 4.31Å; I57-L100 HydrophobicContact CG1-CD1 4.12Å; I57-L100 HydrophobicContact CG1-CD2 4.23Å; K82-L100 WeakPolarHBondContact CE-O 3.38Å; L100-N102 PolarHBondContact O-N 3.2Å
101	S	81	Confident	83.5	Confident	44 Å²	44	65.4 Å²	65.4	31%	0.308	35%	0.353	S	S	.	.	S	Bend	trans	-61.8	-38	172.3	-172.4	0	0	0	0	110.5	Q80	Q80-S101 WeakPolarHBondContact O-CB 3.49Å; Q80-S101 PolarHBondContact O-N 3.41Å
102	N	73.4	Confident	83.4	Confident	35 Å²	35	63.6 Å²	63.6	19%	0.187	34%	0.339	C	S	.	.			trans	-139.8	125.9	172	-175.2	-26.1	0	0	0	109.9	L100 N104 S105	L100-N102 PolarHBondContact O-N 3.2Å; N102-N104 PolarHBondContact O-N 2.98Å; N102-N104 VanDerWaalsContact O-N 3.15Å; N102-N104 WeakPolarHBondContact OD1-CB 2.9Å; N102-N104 PolarHBondContact OD1-N 3.39Å; N102-S105 PolarHBondContact O-N 2.78Å; N102-S105 PolarHBondContact O-OG 2.94Å
103	S	64.3	Low	83.4	Confident	102 Å²	102	60 Å²	60	71%	0.713	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.6	-179.4	-56.2	0	0	0	0	113.7
104	N	62.9	Low	83.6	Confident	98 Å²	98	61.9 Å²	61.9	52%	0.524	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-6.9	-179.3	-62	-16.2	0	0	0	113.1	N102 A106	N102-N104 PolarHBondContact O-N 2.98Å; N102-N104 VanDerWaalsContact O-N 3.15Å; N102-N104 WeakPolarHBondContact OD1-CB 2.9Å; N102-N104 PolarHBondContact OD1-N 3.39Å; N104-A106 PolarHBondContact O-N 2.79Å
105	S	65.2	Low	83.8	Confident	7 Å²	7	58.2 Å²	58.2	5%	0.049	31%	0.312	C	S	.	.			trans	-86.5	93.2	178.8	60.9	0	0	0	0	110.7	N102 S135	N102-S105 PolarHBondContact O-N 2.78Å; N102-S105 PolarHBondContact O-OG 2.94Å; S105-S135 VanDerWaalsContact CA-OG 3.28Å; S105-S135 WeakPolarHBondContact CA-OG 3.26Å; S105-S135 WeakPolarHBondContact CB-OG 3.48Å
106	A	78.5	Confident	84	Confident	48 Å²	48	53.7 Å²	53.7	40%	0.397	29%	0.287	S	S	.	.			trans	-117	116.4	174.9	0	0	0	0	0	110.8	I57 Y77 I78 N104	I57-A106 HydrophobicContact CD1-CB 3.67Å; Y77-A106 HydrophobicContact CD1-CB 3.84Å; Y77-A106 HydrophobicContact CG-CB 4.46Å; I78-A106 CarbonylContact O-C 3.56Å; I78-A106 WeakPolarHBondContact O-CA 3.13Å; N104-A106 PolarHBondContact O-N 2.79Å
107	E	78	Confident	84.2	Confident	29 Å²	29	54.8 Å²	54.8	14%	0.136	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	129.1	171	-179.9	-167.7	137.5	0	0	109.4	R44 Y77 I78 C109	R44-E107 IonicContact CZ-OE1 2.71Å; R44-E107 IonicContact CZ-OE2 3.1Å; R44-E107 IonicContact NH1-OE1 2.76Å; R44-E107 PolarHBondContact NH1-OE1 3.12Å; R44-E107 IonicContact NH1-OE2 3.34Å; R44-E107 IonicContact NH2-OE1 3.58Å; R44-E107 PolarHBondContact NH2-OE1 3.06Å; R44-E107 IonicContact NH2-OE2 3.92Å; R44-E107 PolarHBondContact NH2-OE2 3.22Å; Y77-E107 CarbonylContact C-O 3.49Å; Y77-E107 VanDerWaalsContact CA-O 3.24Å; Y77-E107 WeakPolarHBondContact CA-O 3.42Å; I78-E107 HydrophobicContact CD1-CB 4.47Å; I78-E107 HydrophobicContact CG1-CB 3.86Å; I78-E107 HydrophobicContact CG1-CG 4.4Å; I78-E107 PolarHBondContact N-O 2.84Å; I78-E107 PolarHBondContact O-N 3.23Å; E107-C109 PolarHBondContact O-N 2.75Å
108	K	81.4	Confident	84.6	Confident	128 Å²	128	53.4 Å²	53.4	56%	0.557	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	114.7	169.5	-173.5	179.7	179.8	-179.7	0	109.4	M76 Y77	M76-K108 CarbonylContact O-C 3.59Å; M76-K108 WeakPolarHBondContact O-CA 3.42Å; Y77-K108 HydrophobicContact CD1-CB 4.15Å; Y77-K108 HydrophobicContact CE1-CB 3.78Å; Y77-K108 HydrophobicContact CE1-CG 4.33Å
109	C	83.2	Confident	85	Confident	4 Å²	4	55.8 Å²	55.8	3%	0.027	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	144	177.8	-169.8	0	0	0	0	110.9	K75 M76 I78 E107 V111	K75-C109 WeakPolarHBondContact CA-O 3.49Å; M76-C109 HydrophobicContact CG-CB 4.28Å; M76-C109 PolarHBondContact N-O 2.73Å; M76-C109 PolarHBondContact O-N 3.13Å; I78-C109 HydrophobicContact CD1-CB 4.24Å; I78-C109 HydrophobicContact CG1-CB 4.49Å; I78-C109 HydrophobicContact CG2-CB 4.5Å; E107-C109 PolarHBondContact O-N 2.75Å; C109-V111 WeakPolarHBondContact SG-CG2 3.2Å
110	T	87.7	Confident	85.3	Confident	44 Å²	44	57.1 Å²	57.1	27%	0.27	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	121.2	167.1	-60.2	0	0	0	0	108.5	M74	M74-T110 CarbonylContact O-C 3.54Å; M74-T110 VanDerWaalsContact O-CA 3.24Å; M74-T110 WeakPolarHBondContact O-CA 3.44Å
111	V	89.9	Confident	85.7	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.012	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136	-176.1	-178.5	0	0	0	0	110	A40 N73 M74 M76 C109 V113 V124	A40-V111 HydrophobicContact CB-CG1 3.95Å; N73-V111 WeakPolarHBondContact CA-O 3.49Å; M74-V111 PolarHBondContact N-O 3.2Å; M74-V111 PolarHBondContact O-N 3.23Å; M76-V111 HydrophobicContact CE-CB 4.23Å; M76-V111 HydrophobicContact CE-CG2 3.43Å; M76-V111 VanDerWaalsContact CE-CG2 3.43Å; C109-V111 WeakPolarHBondContact SG-CG2 3.2Å; V111-V113 HydrophobicContact CG1-CG2 3.81Å; V111-V124 HydrophobicContact CG1-CG1 3.43Å; V111-V124 VanDerWaalsContact CG1-CG1 3.43Å
112	K	92.9	Very high	86.4	Confident	77 Å²	77	57.6 Å²	57.6	34%	0.335	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	117.7	171.9	-67.8	173.2	-174	170.8	0	108.4	Y72 N73 N125 E127	Y72-K112 CarbonylContact O-C 3.5Å; Y72-K112 WeakPolarHBondContact O-CA 3.38Å; N73-K112 WeakPolarHBondContact ND2-CG 3.45Å; K112-N125 HydrophobicContact CB-CB 4.12Å; K112-N125 PolarHBondContact N-O 2.83Å; K112-N125 CarbonylContact O-C 3.58Å; K112-N125 WeakPolarHBondContact O-CA 3.25Å; K112-N125 PolarHBondContact O-N 2.81Å; K112-E127 VanDerWaalsContact NZ-CD 3.25Å; K112-E127 IonicContact NZ-OE1 2.78Å; K112-E127 PolarHBondContact NZ-OE1 2.78Å; K112-E127 IonicContact NZ-OE2 2.78Å; K112-E127 PolarHBondContact NZ-OE2 2.85Å
113	V	95.1	Very high	87.4	Confident	3 Å²	3	61.7 Å²	61.7	2%	0.018	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.4	178.1	-179.8	0	0	0	0	109.1	I36 A40 N71 Y72 V111 F122 K123 V124	I36-V113 HydrophobicContact CG2-CB 3.97Å; I36-V113 HydrophobicContact CG2-CG1 4.03Å; I36-V113 HydrophobicContact CG2-CG2 3.8Å; A40-V113 HydrophobicContact CB-CG2 4.09Å; N71-V113 CarbonylContact C-O 3.58Å; N71-V113 VanDerWaalsContact CA-O 3.31Å; N71-V113 WeakPolarHBondContact CA-O 3.34Å; Y72-V113 HydrophobicContact CD2-CB 4.37Å; Y72-V113 HydrophobicContact CD2-CG1 4.41Å; Y72-V113 PolarHBondContact N-O 2.88Å; Y72-V113 PolarHBondContact O-N 2.92Å; V111-V113 HydrophobicContact CG1-CG2 3.81Å; V113-F122 HydrophobicContact CG1-CD2 4.02Å; V113-F122 HydrophobicContact CG1-CE1 4.05Å; V113-F122 HydrophobicContact CG1-CE2 3.43Å; V113-F122 VanDerWaalsContact CG1-CE2 3.43Å; V113-F122 HydrophobicContact CG1-CZ 3.44Å; V113-F122 VanDerWaalsContact CG1-CZ 3.44Å; V113-F122 HydrophobicContact CG2-CZ 4.28Å; V113-K123 CarbonylContact C-O 3.47Å; V113-K123 WeakPolarHBondContact CA-O 3.13Å; V113-V124 HydrophobicContact CG2-CG1 4.44Å
114	Y	95.5	Very high	88.6	Confident	47 Å²	47	57.4 Å²	57.4	18%	0.184	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	120.4	162.1	170.5	-104	0	0	0	108.7	V67 N68 I70 N71 Q116 T121 K123	V67-Y114 HydrophobicContact CG2-CD2 4.33Å; V67-Y114 HydrophobicContact CG2-CE2 3.98Å; N68-Y114 PolarHBondContact O-OH 3.44Å; I70-Y114 WeakPolarHBondContact O-CA 3.27Å; N71-Y114 WeakPolarHBondContact OD1-CD2 3.32Å; Y114-Q116 HydrophobicContact CE1-CB 4.02Å; Y114-Q116 PolarHBondContact OH-NE2 3.2Å; Y114-T121 HydrophobicContact CD1-CG2 4.16Å; Y114-T121 HydrophobicContact CE1-CG2 3.98Å; Y114-K123 HydrophobicContact CD1-CD 4.39Å; Y114-K123 PolarHBondContact N-O 2.95Å; Y114-K123 PolarHBondContact O-N 2.81Å
115	D	96.6	Very high	89.6	Confident	23 Å²	23	57.8 Å²	57.8	12%	0.123	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129	178.7	-174.9	26.5	0	0	0	110.3	G69 I70 Y72 F122	G69-D115 CarbonylContact C-O 3.43Å; G69-D115 WeakPolarHBondContact CA-O 3Å; I70-D115 PolarHBondContact N-O 2.71Å; I70-D115 PolarHBondContact O-N 2.93Å; Y72-D115 HydrophobicContact CD2-CB 4.47Å; Y72-D115 HydrophobicContact CE2-CB 3.95Å; D115-F122 HydrophobicContact CB-CD2 4.22Å
116	Q	96.6	Very high	89.2	Confident	19 Å²	19	59.7 Å²	59.7	9%	0.089	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	87.3	173.8	-167.7	-177.1	52.4	0	0	108.6	N68 Y114 W118 T119 N120 T121	N68-Q116 PolarHBondContact O-NE2 2.95Å; Y114-Q116 HydrophobicContact CE1-CB 4.02Å; Y114-Q116 PolarHBondContact OH-NE2 3.2Å; Q116-W118 VanDerWaalsContact C-N 3.31Å; Q116-W118 HydrophobicContact CG-CD2 3.66Å; Q116-W118 HydrophobicContact CG-CE3 4.07Å; Q116-W118 HydrophobicContact CG-CG 4.3Å; Q116-W118 HydrophobicContact CG-CH2 3.86Å; Q116-W118 HydrophobicContact CG-CZ2 3.39Å; Q116-W118 HydrophobicContact CG-CZ3 4.15Å; Q116-W118 VanDerWaalsContact NE2-CZ2 3.26Å; Q116-W118 PolarHBondContact O-N 3.44Å; Q116-T119 HydrophobicContact CG-CG2 4.28Å; Q116-T119 PolarHBondContact O-N 2.91Å; Q116-T119 VanDerWaalsContact O-N 3.14Å; Q116-T119 PolarHBondContact O-OG1 2.87Å; Q116-T119 PolarHBondContact OE1-OG1 2.83Å; Q116-N120 PolarHBondContact O-N 2.88Å; Q116-T121 PolarHBondContact N-O 3.18Å; Q116-T121 PolarHBondContact O-N 3.06Å; Q116-T121 VanDerWaalsContact O-N 3.14Å
117	P	94.1	Very high	87.9	Confident	69 Å²	69	62.5 Å²	62.5	45%	0.448	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-59.2	-37.1	-171.5	-29.1	36.2	0	0	0	114.1	T119 N120	P117-T119 PolarHBondContact O-N 3.36Å; P117-N120 PolarHBondContact O-N 3.48Å; P117-N120 VanDerWaalsContact O-N 3.07Å
118	W	95.9	Very high	86.6	Confident	162 Å²	162	62.5 Å²	62.5	61%	0.614	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-71.2	-11.3	-177.5	61.6	90.9	0	0	0	114.4	G69 Q116	G69-W118 VanDerWaalsContact N-CH2 3.35Å; Q116-W118 VanDerWaalsContact C-N 3.31Å; Q116-W118 HydrophobicContact CG-CD2 3.66Å; Q116-W118 HydrophobicContact CG-CE3 4.07Å; Q116-W118 HydrophobicContact CG-CG 4.3Å; Q116-W118 HydrophobicContact CG-CH2 3.86Å; Q116-W118 HydrophobicContact CG-CZ2 3.39Å; Q116-W118 HydrophobicContact CG-CZ3 4.15Å; Q116-W118 VanDerWaalsContact NE2-CZ2 3.26Å; Q116-W118 PolarHBondContact O-N 3.44Å
119	T	96.9	Very high	85.1	Confident	64 Å²	64	62.8 Å²	62.8	39%	0.393	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-113.8	5	171.2	64.3	0	0	0	0	112.4	Q116 P117 T121	Q116-T119 HydrophobicContact CG-CG2 4.28Å; Q116-T119 PolarHBondContact O-N 2.91Å; Q116-T119 VanDerWaalsContact O-N 3.14Å; Q116-T119 PolarHBondContact O-OG1 2.87Å; Q116-T119 PolarHBondContact OE1-OG1 2.83Å; P117-T119 PolarHBondContact O-N 3.36Å; T119-T121 PolarHBondContact O-N 3.16Å; T119-T121 WeakPolarHBondContact OG1-CB 3.26Å; T119-T121 PolarHBondContact OG1-OG1 3.11Å
120	N	95.1	Very high	83.4	Confident	154 Å²	154	70.8 Å²	70.8	82%	0.824	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	32.7	-169.8	-60.6	-52.5	0	0	0	113.1	Q116 P117	Q116-N120 PolarHBondContact O-N 2.88Å; P117-N120 PolarHBondContact O-N 3.48Å; P117-N120 VanDerWaalsContact O-N 3.07Å
121	T	95.8	Very high	81.6	Confident	36 Å²	36	69.9 Å²	69.9	22%	0.221	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	114.9	178.1	-61.1	0	0	0	0	109.6	Y114 Q116 T119 K123	Y114-T121 HydrophobicContact CD1-CG2 4.16Å; Y114-T121 HydrophobicContact CE1-CG2 3.98Å; Q116-T121 PolarHBondContact N-O 3.18Å; Q116-T121 PolarHBondContact O-N 3.06Å; Q116-T121 VanDerWaalsContact O-N 3.14Å; T119-T121 PolarHBondContact O-N 3.16Å; T119-T121 WeakPolarHBondContact OG1-CB 3.26Å; T119-T121 PolarHBondContact OG1-OG1 3.11Å; T121-K123 HydrophobicContact CG2-CD 4.01Å; T121-K123 HydrophobicContact CG2-CG 3.86Å
122	F	95	Very high	80.3	Confident	58 Å²	58	70.1 Å²	70.1	25%	0.254	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	112.9	169.7	-170.8	-91	0	0	0	108.2	I36 K39 V113 D115 V124	I36-F122 HydrophobicContact CD1-CE2 3.86Å; I36-F122 HydrophobicContact CG2-CE2 4.48Å; I36-F122 HydrophobicContact CG2-CZ 4.43Å; K39-F122 HydrophobicContact CB-CD1 4.44Å; K39-F122 HydrophobicContact CB-CE1 3.66Å; K39-F122 HydrophobicContact CB-CE2 3.99Å; K39-F122 HydrophobicContact CB-CZ 3.39Å; K39-F122 HydrophobicContact CD-CD2 4.26Å; K39-F122 HydrophobicContact CD-CE2 3.94Å; K39-F122 HydrophobicContact CD-CZ 4.22Å; K39-F122 HydrophobicContact CG-CZ 4.47Å; V113-F122 HydrophobicContact CG1-CD2 4.02Å; V113-F122 HydrophobicContact CG1-CE1 4.05Å; V113-F122 HydrophobicContact CG1-CE2 3.43Å; V113-F122 VanDerWaalsContact CG1-CE2 3.43Å; V113-F122 HydrophobicContact CG1-CZ 3.44Å; V113-F122 VanDerWaalsContact CG1-CZ 3.44Å; V113-F122 HydrophobicContact CG2-CZ 4.28Å; D115-F122 HydrophobicContact CB-CD2 4.22Å; F122-V124 HydrophobicContact CD1-CG2 4.02Å; F122-V124 HydrophobicContact CE1-CG2 3.51Å; F122-V124 HydrophobicContact CZ-CG2 4.47Å
123	K	94.2	Very high	79.5	Confident	121 Å²	121	71.2 Å²	71.2	53%	0.526	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	118.4	-178.1	-68.5	179.8	-178.3	177.2	0	109.2	V113 Y114 T121	V113-K123 CarbonylContact C-O 3.47Å; V113-K123 WeakPolarHBondContact CA-O 3.13Å; Y114-K123 HydrophobicContact CD1-CD 4.39Å; Y114-K123 PolarHBondContact N-O 2.95Å; Y114-K123 PolarHBondContact O-N 2.81Å; T121-K123 HydrophobicContact CG2-CD 4.01Å; T121-K123 HydrophobicContact CG2-CG 3.86Å
124	V	91.1	Very high	78.3	Confident	12 Å²	12	74.3 Å²	74.3	7%	0.073	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	107.4	168.2	-163.1	0	0	0	0	107.2	A40 D43 V111 V113 F122 D126	A40-V124 HydrophobicContact CB-CG1 4.26Å; A40-V124 HydrophobicContact CB-CG2 4.21Å; D43-V124 HydrophobicContact CB-CG2 3.75Å; D43-V124 WeakPolarHBondContact OD2-CB 3.39Å; D43-V124 WeakPolarHBondContact OD2-CG2 3.44Å; V111-V124 HydrophobicContact CG1-CG1 3.43Å; V111-V124 VanDerWaalsContact CG1-CG1 3.43Å; V113-V124 HydrophobicContact CG2-CG1 4.44Å; F122-V124 HydrophobicContact CD1-CG2 4.02Å; F122-V124 HydrophobicContact CE1-CG2 3.51Å; F122-V124 HydrophobicContact CZ-CG2 4.47Å; V124-D126 HydrophobicContact CG1-CB 4.42Å; V124-D126 WeakPolarHBondContact CG1-OD1 3.24Å; V124-D126 PolarHBondContact O-N 2.83Å
125	N	82.1	Confident	77.2	Confident	107 Å²	107	73.5 Å²	73.5	57%	0.572	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	81.5	160.6	-71.4	-13.2	0	0	0	105.5	K112 E127	K112-N125 HydrophobicContact CB-CB 4.12Å; K112-N125 PolarHBondContact N-O 2.83Å; K112-N125 CarbonylContact O-C 3.58Å; K112-N125 WeakPolarHBondContact O-CA 3.25Å; K112-N125 PolarHBondContact O-N 2.81Å; N125-E127 VanDerWaalsContact C-N 3.29Å; N125-E127 PolarHBondContact O-N 2.81Å
126	D	58.3	Low	76.5	Confident	47 Å²	47	73.3 Å²	73.3	25%	0.251	37%	0.373	S	S	.	.			trans	-62.1	98.3	170.2	-88.6	-20.2	0	0	0	107.7	V124 V128	V124-D126 HydrophobicContact CG1-CB 4.42Å; V124-D126 WeakPolarHBondContact CG1-OD1 3.24Å; V124-D126 PolarHBondContact O-N 2.83Å; D126-V128 HydrophobicContact CB-CB 3.77Å; D126-V128 HydrophobicContact CB-CG2 3.57Å; D126-V128 PolarHBondContact O-N 2.84Å; D126-V128 VanDerWaalsContact O-N 3.16Å; D126-V128 WeakPolarHBondContact OD1-CG2 3.37Å
127	E	51.6	Low	75.7	Confident	107 Å²	107	74.6 Å²	74.6	50%	0.5	38%	0.381	S	S	.	.			trans	-72.1	39.8	137	-71.9	177.5	-173.3	0	0	108.7	K112 N125 L129	K112-E127 VanDerWaalsContact NZ-CD 3.25Å; K112-E127 IonicContact NZ-OE1 2.78Å; K112-E127 PolarHBondContact NZ-OE1 2.78Å; K112-E127 IonicContact NZ-OE2 2.78Å; K112-E127 PolarHBondContact NZ-OE2 2.85Å; N125-E127 VanDerWaalsContact C-N 3.29Å; N125-E127 PolarHBondContact O-N 2.81Å; E127-L129 VanDerWaalsContact C-N 3.27Å; E127-L129 PolarHBondContact O-N 3.47Å
128	V	50.1	Low	75.5	Confident	29 Å²	29	71.8 Å²	71.8	18%	0.176	36%	0.364	C	S	.	.			trans	-58.4	109.1	147.4	174.2	0	0	0	0	102.7	R44 D126 L130	R44-V128 HydrophobicContact CG-CG2 4.37Å; D126-V128 HydrophobicContact CB-CB 3.77Å; D126-V128 HydrophobicContact CB-CG2 3.57Å; D126-V128 PolarHBondContact O-N 2.84Å; D126-V128 VanDerWaalsContact O-N 3.16Å; D126-V128 WeakPolarHBondContact OD1-CG2 3.37Å; V128-L130 PolarHBondContact O-N 2.86Å
129	L	50.5	Low	75	Confident	133 Å²	133	66.7 Å²	66.7	70%	0.696	36%	0.356	S	S	*	.			trans	-61.1	88.6	166.9	-69.7	164	0	0	0	105.6	E127 G131 G132	E127-L129 VanDerWaalsContact C-N 3.27Å; E127-L129 PolarHBondContact O-N 3.47Å; L129-G131 PolarHBondContact O-N 3.18Å; L129-G132 VanDerWaalsContact CB-N 3.26Å; L129-G132 PolarHBondContact O-N 2.93Å
130	L	46.1	Very low	74.5	Confident	173 Å²	173	65.1 Å²	65.1	91%	0.906	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	97.4	153.7	-69.6	174	0	0	0	103.8	V128	V128-L130 PolarHBondContact O-N 2.86Å
131	G	49.8	Very low	74.4	Confident	25 Å²	25	61.7 Å²	61.7	26%	0.258	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.7	20.5	-166.9	0	0	0	0	0	116.1	L129 Q175 V176	L129-G131 PolarHBondContact O-N 3.18Å; G131-Q175 WeakPolarHBondContact O-CG 3.34Å; G131-Q175 PolarHBondContact O-NE2 2.79Å; G131-V176 WeakPolarHBondContact CA-O 3.46Å
132	G	62.7	Low	74.2	Confident	6 Å²	6	64.1 Å²	64.1	6%	0.062	35%	0.35	C	S	.	.	S	Bend	trans	-98	176.8	166	0	0	0	0	0	111.8	L129 F134 Q175	L129-G132 VanDerWaalsContact CB-N 3.26Å; L129-G132 PolarHBondContact O-N 2.93Å; G132-F134 PolarHBondContact O-N 2.77Å; G132-Q175 WeakPolarHBondContact O-CA 3.38Å; G132-Q175 WeakPolarHBondContact O-CB 3.46Å; G132-Q175 WeakPolarHBondContact O-CG 3.42Å
133	W	76	Confident	74.2	Confident	100 Å²	100	61.4 Å²	61.4	38%	0.379	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	114.9	176.2	-68.5	94.7	0	0	0	110.2	G174 Q175 N181 Y182 K183	W133-G174 CarbonylContact C-O 3.51Å; W133-G174 VanDerWaalsContact CA-O 3.26Å; W133-G174 WeakPolarHBondContact CA-O 3.48Å; W133-Q175 HydrophobicContact CD2-CB 3.85Å; W133-Q175 HydrophobicContact CE3-CB 3.89Å; W133-Q175 HydrophobicContact CG-CB 4.25Å; W133-Q175 HydrophobicContact CZ3-CB 4.23Å; W133-N181 HydrophobicContact CH2-CB 3.72Å; W133-N181 HydrophobicContact CZ2-CB 4.14Å; W133-N181 HydrophobicContact CZ3-CB 4.29Å; W133-Y182 VanDerWaalsContact CH2-C 3.49Å; W133-K183 HydrophobicContact CE3-CB 4.11Å; W133-K183 HydrophobicContact CH2-CB 3.6Å; W133-K183 HydrophobicContact CZ2-CB 4.35Å; W133-K183 HydrophobicContact CZ3-CB 3.49Å; W133-K183 VanDerWaalsContact CZ3-CB 3.49Å
134	F	70.9	Confident	74.3	Confident	69 Å²	69	60.1 Å²	60.1	30%	0.303	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	152.3	167.8	63.5	-88.9	0	0	0	109.7	G132 M136 S173 G174 V176 M180	G132-F134 PolarHBondContact O-N 2.77Å; F134-M136 HydrophobicContact CD2-CG 4.02Å; F134-M136 HydrophobicContact CE2-CG 3.61Å; F134-M136 HydrophobicContact CE2-SD 4.19Å; F134-M136 HydrophobicContact CZ-CG 4.45Å; F134-S173 CarbonylContact O-C 3.52Å; F134-S173 WeakPolarHBondContact O-CA 3.22Å; F134-S173 VanDerWaalsContact O-CB 3.25Å; F134-S173 WeakPolarHBondContact O-CB 3.41Å; F134-G174 WeakPolarHBondContact CD1-O 3.48Å; F134-G174 VanDerWaalsContact CE1-O 3.32Å; F134-G174 WeakPolarHBondContact CE1-O 3.42Å; F134-G174 PolarHBondContact N-O 2.84Å; F134-G174 PolarHBondContact O-N 3.15Å; F134-V176 HydrophobicContact CE1-CG2 4.05Å; F134-M180 HydrophobicContact CE1-CE 3.82Å; F134-M180 HydrophobicContact CZ-CE 3.59Å
135	S	72.9	Confident	74.6	Confident	30 Å²	30	64.1 Å²	64.1	21%	0.21	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	145.5	177.9	-163.2	0	0	0	0	111	S105 A172	S105-S135 VanDerWaalsContact CA-OG 3.28Å; S105-S135 WeakPolarHBondContact CA-OG 3.26Å; S105-S135 WeakPolarHBondContact CB-OG 3.48Å; S135-A172 PolarHBondContact OG-O 2.91Å
136	M	81.2	Confident	75.3	Confident	18 Å²	18	59.2 Å²	59.2	9%	0.089	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	150.7	178.7	-63.5	-176.4	77.8	0	0	110	F134 A138 Q142 V143 A172 Y182	F134-M136 HydrophobicContact CD2-CG 4.02Å; F134-M136 HydrophobicContact CE2-CG 3.61Å; F134-M136 HydrophobicContact CE2-SD 4.19Å; F134-M136 HydrophobicContact CZ-CG 4.45Å; M136-A138 PolarHBondContact O-N 2.83Å; M136-Q142 HydrophobicContact CE-CG 4.28Å; M136-V143 HydrophobicContact CB-CG2 3.83Å; M136-V143 HydrophobicContact CE-CG2 3.93Å; M136-V143 HydrophobicContact SD-CG2 4.11Å; M136-A172 HydrophobicContact CB-CB 3.96Å; M136-A172 PolarHBondContact N-O 2.83Å; M136-Y182 HydrophobicContact CE-CD1 4.45Å; M136-Y182 HydrophobicContact CE-CE1 3.98Å; M136-Y182 HydrophobicContact SD-CD1 3.78Å; M136-Y182 HydrophobicContact SD-CE1 3.86Å
137	D	80.4	Confident	77.2	Confident	46 Å²	46	57 Å²	57	25%	0.246	31%	0.312	C	S	.	.			trans	-65.6	118.1	170.4	173.7	26.7	0	0	0	110.6	A139 S140 V143	D137-A139 PolarHBondContact O-N 2.96Å; D137-A139 PolarHBondContact OD1-N 2.78Å; D137-S140 VanDerWaalsContact O-CB 3.28Å; D137-S140 WeakPolarHBondContact O-CB 3.47Å; D137-S140 PolarHBondContact O-N 3.04Å; D137-S140 PolarHBondContact O-OG 2.69Å; D137-S140 PolarHBondContact OD2-N 2.79Å; D137-V143 WeakPolarHBondContact O-CG2 3.26Å
138	A	88.6	Confident	79.4	Confident	11 Å²	11	53.6 Å²	53.6	9%	0.091	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.7	174.8	0	0	0	0	0	113.4	M136 I169	M136-A138 PolarHBondContact O-N 2.83Å; A138-I169 HydrophobicContact CB-CB 4.22Å; A138-I169 HydrophobicContact CB-CG2 3.9Å
139	A	86.8	Confident	81.7	Confident	55 Å²	55	56.1 Å²	56.1	46%	0.455	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-8	178.1	0	0	0	0	0	114.2	D137 K144	D137-A139 PolarHBondContact O-N 2.96Å; D137-A139 PolarHBondContact OD1-N 2.78Å; A139-K144 WeakPolarHBondContact O-CE 3.46Å; A139-K144 PolarHBondContact O-NZ 2.03Å
140	S	86.2	Confident	84	Confident	31 Å²	31	49.8 Å²	49.8	22%	0.217	27%	0.272	C	S	.	.	S	Bend	trans	-63.2	149.8	-178	69.3	0	0	0	0	112.5	D137 Q142 V143 K144	D137-S140 VanDerWaalsContact O-CB 3.28Å; D137-S140 WeakPolarHBondContact O-CB 3.47Å; D137-S140 PolarHBondContact O-N 3.04Å; D137-S140 PolarHBondContact O-OG 2.69Å; D137-S140 PolarHBondContact OD2-N 2.79Å; S140-Q142 VanDerWaalsContact C-N 3.31Å; S140-Q142 PolarHBondContact O-N 3.28Å; S140-V143 PolarHBondContact O-N 3.07Å; S140-V143 WeakPolarHBondContact OG-CB 3.33Å; S140-V143 VanDerWaalsContact OG-CG2 3.23Å; S140-V143 WeakPolarHBondContact OG-CG2 3.31Å; S140-V143 PolarHBondContact OG-N 3.49Å; S140-K144 WeakPolarHBondContact O-CG 3.24Å; S140-K144 PolarHBondContact O-N 2.81Å; S140-K144 VanDerWaalsContact O-N 3.08Å
141	A	92	Very high	86.5	Confident	82 Å²	82	42 Å²	42	68%	0.678	23%	0.231	S	C	*	.	H	α-helix	trans	-60	-41.3	-179.9	0	0	0	0	0	112.2	K144 E145	A141-K144 PolarHBondContact O-N 2.61Å; A141-E145 WeakPolarHBondContact O-CB 2.98Å; A141-E145 PolarHBondContact O-N 3.33Å
142	Q	92.2	Very high	88.7	Confident	87 Å²	87	41.6 Å²	41.6	41%	0.407	23%	0.225	S	C	.	.	H	α-helix	trans	-61.6	-45.5	178.4	-174.1	177.7	16.5	0	0	111.9	M136 S140 E145 V146 Y182	M136-Q142 HydrophobicContact CE-CG 4.28Å; S140-Q142 VanDerWaalsContact C-N 3.31Å; S140-Q142 PolarHBondContact O-N 3.28Å; Q142-E145 PolarHBondContact O-N 3.13Å; Q142-V146 WeakPolarHBondContact O-CG2 2.95Å; Q142-V146 PolarHBondContact O-N 3.18Å; Q142-Y182 HydrophobicContact CG-CE1 4.2Å; Q142-Y182 PolarHBondContact NE2-OH 3.44Å
143	V	95.1	Very high	90.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.2	-41.7	178.4	166.5	0	0	0	0	111.5	M136 D137 S140 V146 A147 I169 A172 L184	M136-V143 HydrophobicContact CB-CG2 3.83Å; M136-V143 HydrophobicContact CE-CG2 3.93Å; M136-V143 HydrophobicContact SD-CG2 4.11Å; D137-V143 WeakPolarHBondContact O-CG2 3.26Å; S140-V143 PolarHBondContact O-N 3.07Å; S140-V143 WeakPolarHBondContact OG-CB 3.33Å; S140-V143 VanDerWaalsContact OG-CG2 3.23Å; S140-V143 WeakPolarHBondContact OG-CG2 3.31Å; S140-V143 PolarHBondContact OG-N 3.49Å; V143-V146 PolarHBondContact O-N 3.21Å; V143-A147 WeakPolarHBondContact O-CB 3.18Å; V143-A147 PolarHBondContact O-N 3.21Å; V143-I169 HydrophobicContact CG1-CD1 3.67Å; V143-I169 HydrophobicContact CG1-CG2 4.02Å; V143-A172 HydrophobicContact CB-CB 4.34Å; V143-A172 HydrophobicContact CG1-CB 3.67Å; V143-A172 HydrophobicContact CG2-CB 3.67Å; V143-L184 HydrophobicContact CG1-CD2 3.93Å
144	K	96.4	Very high	91.4	Very high	95 Å²	95	40.8 Å²	40.8	41%	0.413	22%	0.224	S	C	.	.	H	α-helix	trans	-59.7	-46	174.1	-73.1	171.3	177.6	158.5	0	111.5	A139 S140 A141 V146 A147 H148	A139-K144 WeakPolarHBondContact O-CE 3.46Å; A139-K144 PolarHBondContact O-NZ 2.03Å; S140-K144 WeakPolarHBondContact O-CG 3.24Å; S140-K144 PolarHBondContact O-N 2.81Å; S140-K144 VanDerWaalsContact O-N 3.08Å; A141-K144 PolarHBondContact O-N 2.61Å; K144-V146 PolarHBondContact O-N 2.71Å; K144-A147 PolarHBondContact O-N 2.65Å; K144-H148 PolarHBondContact O-CD2 3Å; K144-H148 VanDerWaalsContact O-CG 3.29Å; K144-H148 PolarHBondContact O-N 2.91Å
145	E	96.5	Very high	92.7	Very high	96 Å²	96	37.7 Å²	37.7	45%	0.449	21%	0.21	S	C	.	.	H	α-helix	trans	-58.1	-47.4	178.1	-172.3	-176.3	163.8	0	0	112	A141 Q142 A147 H148 K149	A141-E145 WeakPolarHBondContact O-CB 2.98Å; A141-E145 PolarHBondContact O-N 3.33Å; Q142-E145 PolarHBondContact O-N 3.13Å; E145-A147 VanDerWaalsContact C-N 3.34Å; E145-A147 PolarHBondContact O-N 2.86Å; E145-H148 PolarHBondContact O-N 2.88Å; E145-K149 HydrophobicContact CG-CD 4.22Å; E145-K149 WeakPolarHBondContact O-CB 3.36Å; E145-K149 WeakPolarHBondContact O-CG 3.27Å; E145-K149 PolarHBondContact O-N 2.68Å; E145-K149 VanDerWaalsContact OE1-CE 3.27Å; E145-K149 WeakPolarHBondContact OE1-CE 3.49Å; E145-K149 IonicContact OE1-NZ 2.85Å; E145-K149 PolarHBondContact OE1-NZ 2.78Å
146	V	98	Very high	93.8	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.018	23%	0.229	C	C	.	.	H	α-helix	trans	-61.4	-42.2	177	174	0	0	0	0	111.2	Q142 V143 K144 S150 Y182 L184 A222 F231	Q142-V146 WeakPolarHBondContact O-CG2 2.95Å; Q142-V146 PolarHBondContact O-N 3.18Å; V143-V146 PolarHBondContact O-N 3.21Å; K144-V146 PolarHBondContact O-N 2.71Å; V146-S150 VanDerWaalsContact O-CB 3.29Å; V146-S150 WeakPolarHBondContact O-CB 3.41Å; V146-S150 PolarHBondContact O-N 2.78Å; V146-S150 PolarHBondContact O-OG 3.4Å; V146-Y182 HydrophobicContact CB-CG 4.47Å; V146-Y182 HydrophobicContact CG1-CD2 4.05Å; V146-Y182 HydrophobicContact CG1-CG 3.92Å; V146-Y182 HydrophobicContact CG2-CD1 4.02Å; V146-Y182 HydrophobicContact CG2-CD2 3.83Å; V146-Y182 HydrophobicContact CG2-CE1 3.93Å; V146-Y182 HydrophobicContact CG2-CE2 3.72Å; V146-Y182 HydrophobicContact CG2-CG 3.95Å; V146-L184 HydrophobicContact CB-CD1 4.29Å; V146-L184 HydrophobicContact CG1-CD1 3.9Å; V146-A222 HydrophobicContact CG1-CB 3.94Å; V146-F231 HydrophobicContact CG1-CE2 4.15Å; V146-F231 HydrophobicContact CG1-CZ 4.15Å; V146-F231 HydrophobicContact CG2-CE2 4.37Å
147	A	98.1	Very high	94.4	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.008	25%	0.254	C	S	.	.	H	α-helix	trans	-62.4	-45.1	176.9	0	0	0	0	0	111.8	V143 K144 E145 S150 L151 L166 I169 L184	V143-A147 WeakPolarHBondContact O-CB 3.18Å; V143-A147 PolarHBondContact O-N 3.21Å; K144-A147 PolarHBondContact O-N 2.65Å; E145-A147 VanDerWaalsContact C-N 3.34Å; E145-A147 PolarHBondContact O-N 2.86Å; A147-S150 PolarHBondContact O-N 2.86Å; A147-L151 WeakPolarHBondContact O-CB 3.25Å; A147-L151 PolarHBondContact O-N 2.86Å; A147-L166 HydrophobicContact CB-CD1 4.48Å; A147-L166 HydrophobicContact CB-CD2 4.06Å; A147-I169 HydrophobicContact CB-CD1 3.55Å; A147-I169 HydrophobicContact CB-CG1 4.28Å; A147-L184 HydrophobicContact CB-CD1 3.87Å
148	H	98	Very high	95	Very high	35 Å²	35	46 Å²	46	16%	0.162	25%	0.253	C	S	.	.	H	α-helix	trans	-66.4	-44.6	179.3	-64.1	-43.2	0	0	0	112.7	K144 E145 S150 L151 A152 H204	K144-H148 PolarHBondContact O-CD2 3Å; K144-H148 VanDerWaalsContact O-CG 3.29Å; K144-H148 PolarHBondContact O-N 2.91Å; E145-H148 PolarHBondContact O-N 2.88Å; H148-S150 VanDerWaalsContact C-N 3.32Å; H148-S150 PolarHBondContact O-N 3.42Å; H148-L151 PolarHBondContact O-N 2.8Å; H148-A152 WeakPolarHBondContact O-CB 3.09Å; H148-A152 PolarHBondContact O-N 2.81Å; H148-H204 HydrophobicContact CB-CB 4.44Å; H148-H204 AromaticContact CD2-CD2 3.41Å; H148-H204 PolarHBondContact CD2-CD2 3.42Å; H148-H204 VanDerWaalsContact CD2-CD2 3.41Å; H148-H204 AromaticContact CD2-CG 3.73Å; H148-H204 AromaticContact CD2-NE2 3.71Å; H148-H204 AromaticContact CE1-CD2 3.58Å; H148-H204 AromaticContact CE1-CE1 3.27Å; H148-H204 PolarHBondContact CE1-CE1 2.84Å; H148-H204 AromaticContact CE1-CG 3.22Å; H148-H204 AromaticContact CE1-ND1 3.02Å; H148-H204 PolarHBondContact CE1-ND1 3.27Å; H148-H204 AromaticContact CE1-NE2 3.62Å; H148-H204 AromaticContact CG-CD2 3.74Å; H148-H204 AromaticContact CG-CG 3.64Å; H148-H204 AromaticContact ND1-CD2 3.82Å; H148-H204 AromaticContact ND1-CG 3.3Å; H148-H204 VanDerWaalsContact ND1-CG 3.3Å; H148-H204 AromaticContact ND1-ND1 3.54Å; H148-H204 AromaticContact NE2-CD2 3.34Å; H148-H204 PolarHBondContact NE2-CD2 3.26Å; H148-H204 VanDerWaalsContact NE2-CD2 3.34Å; H148-H204 AromaticContact NE2-CE1 3.26Å; H148-H204 PolarHBondContact NE2-CE1 2.91Å; H148-H204 VanDerWaalsContact NE2-CE1 3.26Å; H148-H204 AromaticContact NE2-CG 3.52Å; H148-H204 AromaticContact NE2-ND1 3.47Å; H148-H204 PolarHBondContact NE2-ND1 3.03Å; H148-H204 AromaticContact NE2-NE2 3.19Å; H148-H204 PolarHBondContact NE2-NE2 2.83Å; H148-H204 VanDerWaalsContact NE2-NE2 3.19Å
149	K	97.9	Very high	95.2	Very high	82 Å²	82	53.2 Å²	53.2	36%	0.357	29%	0.29	S	S	.	.	H	α-helix	trans	-59.8	-42.8	174	-75.3	175.3	169.7	169.6	0	111.6	E145 A152 D153 F231	E145-K149 HydrophobicContact CG-CD 4.22Å; E145-K149 WeakPolarHBondContact O-CB 3.36Å; E145-K149 WeakPolarHBondContact O-CG 3.27Å; E145-K149 PolarHBondContact O-N 2.68Å; E145-K149 VanDerWaalsContact OE1-CE 3.27Å; E145-K149 WeakPolarHBondContact OE1-CE 3.49Å; E145-K149 IonicContact OE1-NZ 2.85Å; E145-K149 PolarHBondContact OE1-NZ 2.78Å; K149-A152 PolarHBondContact O-N 3.28Å; K149-D153 PolarHBondContact O-N 3.32Å; K149-D153 VanDerWaalsContact O-N 3.09Å; K149-F231 HydrophobicContact CB-CD1 4Å; K149-F231 HydrophobicContact CB-CE1 3.53Å; K149-F231 HydrophobicContact CB-CE2 4.14Å; K149-F231 HydrophobicContact CB-CG 4.48Å; K149-F231 HydrophobicContact CB-CZ 3.6Å; K149-F231 HydrophobicContact CD-CD1 4.48Å; K149-F231 HydrophobicContact CD-CD2 3.96Å; K149-F231 HydrophobicContact CD-CE2 4.08Å; K149-F231 HydrophobicContact CD-CG 4.16Å; K149-F231 HydrophobicContact CD-CZ 4.39Å
150	S	98.4	Very high	95.5	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-66.3	-39.4	178.6	-55.9	0	0	0	0	112.2	V146 A147 H148 D153 R154 I220 F236	V146-S150 VanDerWaalsContact O-CB 3.29Å; V146-S150 WeakPolarHBondContact O-CB 3.41Å; V146-S150 PolarHBondContact O-N 2.78Å; V146-S150 PolarHBondContact O-OG 3.4Å; A147-S150 PolarHBondContact O-N 2.86Å; H148-S150 VanDerWaalsContact C-N 3.32Å; H148-S150 PolarHBondContact O-N 3.42Å; S150-D153 PolarHBondContact O-N 2.92Å; S150-R154 PolarHBondContact O-N 3.11Å; S150-I220 WeakPolarHBondContact OG-CG2 3.38Å; S150-F236 WeakPolarHBondContact O-CE2 3.49Å
151	L	97.9	Very high	95.9	Very high	9 Å²	9	57.1 Å²	57.1	5%	0.047	31%	0.308	C	S	.	.	H	α-helix	trans	-70.7	-34.6	178.2	-169.7	58.4	0	0	0	112	A147 H148 R154 N155 D164 L166 I188 F236	A147-L151 WeakPolarHBondContact O-CB 3.25Å; A147-L151 PolarHBondContact O-N 2.86Å; H148-L151 PolarHBondContact O-N 2.8Å; L151-R154 PolarHBondContact O-N 3.5Å; L151-N155 VanDerWaalsContact O-CB 3.25Å; L151-N155 WeakPolarHBondContact O-CB 3.46Å; L151-N155 PolarHBondContact O-N 3.02Å; L151-N155 PolarHBondContact O-ND2 3.08Å; L151-D164 HydrophobicContact CD1-CB 3.97Å; L151-D164 WeakPolarHBondContact CD2-O 3.34Å; L151-L166 HydrophobicContact CD2-CB 4.15Å; L151-L166 VanDerWaalsContact CD2-N 3.32Å; L151-I188 HydrophobicContact CD1-CD1 3.99Å; L151-I188 HydrophobicContact CD1-CG2 4.1Å; L151-I188 HydrophobicContact CD2-CG2 4.46Å; L151-F236 HydrophobicContact CD1-CE2 4.49Å; L151-F236 HydrophobicContact CD1-CZ 4.03Å
152	A	97.7	Very high	96.1	Very high	17 Å²	17	55.8 Å²	55.8	14%	0.14	29%	0.289	C	S	.	.	H	α-helix	trans	-61.9	-44.3	171.2	0	0	0	0	0	111.6	H148 K149 N155 T156 P200	H148-A152 WeakPolarHBondContact O-CB 3.09Å; H148-A152 PolarHBondContact O-N 2.81Å; K149-A152 PolarHBondContact O-N 3.28Å; A152-N155 PolarHBondContact O-N 2.81Å; A152-T156 PolarHBondContact O-N 3.18Å; A152-T156 PolarHBondContact O-OG1 3.04Å; A152-P200 HydrophobicContact CB-CB 4.19Å; A152-P200 WeakPolarHBondContact CB-O 3.28Å; A152-P200 WeakPolarHBondContact O-CB 3.42Å
153	D	97.8	Very high	96.4	Very high	49 Å²	49	51.7 Å²	51.7	26%	0.262	27%	0.27	S	S	.	.	H	α-helix	trans	-59.7	-47.7	174.2	175.6	83.9	0	0	0	111.8	K149 S150 N155 T156 K157 V233	K149-D153 PolarHBondContact O-N 3.32Å; K149-D153 VanDerWaalsContact O-N 3.09Å; S150-D153 PolarHBondContact O-N 2.92Å; D153-N155 PolarHBondContact O-N 3.32Å; D153-T156 WeakPolarHBondContact O-CB 3.44Å; D153-T156 PolarHBondContact O-N 3.39Å; D153-K157 WeakPolarHBondContact O-CG 3.18Å; D153-K157 PolarHBondContact O-N 3.17Å; D153-K157 WeakPolarHBondContact OD1-CE 3.44Å; D153-K157 IonicContact OD1-NZ 3.93Å; D153-K157 PolarHBondContact OD1-NZ 3.46Å; D153-K157 WeakPolarHBondContact OD2-CE 3.46Å; D153-K157 IonicContact OD2-NZ 2.88Å; D153-K157 PolarHBondContact OD2-NZ 2.93Å; D153-V233 HydrophobicContact CB-CG2 3.75Å
154	R	97.2	Very high	96.5	Very high	41 Å²	41	52.2 Å²	52.2	16%	0.155	27%	0.273	C	S	.	.	H	α-helix	trans	-59.6	-46.3	174.5	173.8	178.8	157	152.4	3.1	112	S150 L151 T156 K157 S158 D164 E216 F236 C238	S150-R154 PolarHBondContact O-N 3.11Å; L151-R154 PolarHBondContact O-N 3.5Å; R154-T156 PolarHBondContact O-N 3.05Å; R154-K157 PolarHBondContact O-N 2.9Å; R154-S158 WeakPolarHBondContact O-CB 3.47Å; R154-S158 PolarHBondContact O-N 3.39Å; R154-D164 IonicContact CZ-OD2 3.25Å; R154-D164 VanDerWaalsContact CZ-OD2 3.29Å; R154-D164 IonicContact NE-OD2 2.96Å; R154-D164 PolarHBondContact NE-OD2 2.95Å; R154-D164 VanDerWaalsContact NE-OD2 3.17Å; R154-D164 IonicContact NH2-OD2 2.65Å; R154-D164 PolarHBondContact NH2-OD2 2.7Å; R154-E216 IonicContact CZ-OE2 2.77Å; R154-E216 VanDerWaalsContact CZ-OE2 3.25Å; R154-E216 IonicContact NH1-OE2 2.89Å; R154-E216 PolarHBondContact NH1-OE2 2.89Å; R154-E216 IonicContact NH2-OE2 2.87Å; R154-E216 PolarHBondContact NH2-OE2 2.77Å; R154-F236 HydrophobicContact CB-CD2 3.78Å; R154-F236 HydrophobicContact CB-CE2 3.74Å; R154-F236 HydrophobicContact CB-CG 4.25Å; R154-F236 HydrophobicContact CB-CZ 4.17Å; R154-F236 VanDerWaalsContact CD-CZ 3.47Å; R154-F236 HydrophobicContact CG-CD2 4.5Å; R154-F236 HydrophobicContact CG-CE1 4.46Å; R154-F236 HydrophobicContact CG-CE2 4.44Å; R154-F236 HydrophobicContact CG-CZ 4.42Å; R154-C238 PolarHBondContact NH1-SG 3.16Å
155	N	96.9	Very high	96.5	Very high	3 Å²	3	48 Å²	48	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-61.2	-32.1	-179.7	-87.7	-35.2	0	0	0	112.3	L151 A152 D153 H163 D164 K195 P200	L151-N155 VanDerWaalsContact O-CB 3.25Å; L151-N155 WeakPolarHBondContact O-CB 3.46Å; L151-N155 PolarHBondContact O-N 3.02Å; L151-N155 PolarHBondContact O-ND2 3.08Å; A152-N155 PolarHBondContact O-N 2.81Å; D153-N155 PolarHBondContact O-N 3.32Å; N155-H163 WeakPolarHBondContact OD1-CA 3.27Å; N155-D164 PolarHBondContact ND2-O 2.74Å; N155-D164 PolarHBondContact OD1-N 3.23Å; N155-K195 WeakPolarHBondContact O-CE 3.48Å; N155-K195 PolarHBondContact O-NZ 3.36Å; N155-P200 HydrophobicContact CB-CB 4.05Å
156	T	96.1	Very high	96.5	Very high	98 Å²	98	45.4 Å²	45.4	60%	0.601	25%	0.245	S	C	*	.	H	α-helix	trans	-67.6	-37.2	173.6	-55	0	0	0	0	112	A152 D153 R154 P200	A152-T156 PolarHBondContact O-N 3.18Å; A152-T156 PolarHBondContact O-OG1 3.04Å; D153-T156 WeakPolarHBondContact O-CB 3.44Å; D153-T156 PolarHBondContact O-N 3.39Å; R154-T156 PolarHBondContact O-N 3.05Å; T156-P200 WeakPolarHBondContact OG1-CG 3.41Å
157	K	95	Very high	96.4	Very high	141 Å²	141	46.8 Å²	46.8	61%	0.613	25%	0.252	S	S	*	.	H	α-helix	trans	-89.4	-26.6	-174.7	-66.6	169.8	-175.6	165.1	0	114.4	D153 R154	D153-K157 WeakPolarHBondContact O-CG 3.18Å; D153-K157 PolarHBondContact O-N 3.17Å; D153-K157 WeakPolarHBondContact OD1-CE 3.44Å; D153-K157 IonicContact OD1-NZ 3.93Å; D153-K157 PolarHBondContact OD1-NZ 3.46Å; D153-K157 WeakPolarHBondContact OD2-CE 3.46Å; D153-K157 IonicContact OD2-NZ 2.88Å; D153-K157 PolarHBondContact OD2-NZ 2.93Å; R154-K157 PolarHBondContact O-N 2.9Å
158	S	93.5	Very high	96.3	Very high	31 Å²	31	50.5 Å²	50.5	22%	0.217	27%	0.268	C	S	.	.			trans	-71.8	147.9	-178.4	148.3	0	0	0	0	111.8	R154 S160 K195	R154-S158 WeakPolarHBondContact O-CB 3.47Å; R154-S158 PolarHBondContact O-N 3.39Å; S158-S160 WeakPolarHBondContact OG-CB 3.37Å; S158-S160 PolarHBondContact OG-N 3.29Å; S158-S160 PolarHBondContact OG-OG 2.91Å; S158-S160 VanDerWaalsContact OG-OG 3.1Å; S158-K195 VanDerWaalsContact C-NZ 3.25Å; S158-K195 VanDerWaalsContact CB-NZ 3.31Å; S158-K195 PolarHBondContact O-NZ 2.88Å; S158-K195 PolarHBondContact OG-NZ 3.49Å
159	N	92.2	Very high	96.1	Very high	162 Å²	162	49.7 Å²	49.7	87%	0.866	26%	0.264	S	S	*	.			trans	-91.8	5.6	174.5	64.8	-19.8	0	0	0	114
160	S	93.2	Very high	95.8	Very high	51 Å²	51	46.4 Å²	46.4	36%	0.357	25%	0.251	S	S	.	.			trans	-61	146.9	176.5	-59	0	0	0	0	111.9	S158 K195	S158-S160 WeakPolarHBondContact OG-CB 3.37Å; S158-S160 PolarHBondContact OG-N 3.29Å; S158-S160 PolarHBondContact OG-OG 2.91Å; S158-S160 VanDerWaalsContact OG-OG 3.1Å; S160-K195 WeakPolarHBondContact O-CD 3.09Å; S160-K195 WeakPolarHBondContact O-CE 3.24Å
161	V	94.4	Very high	95.3	Very high	116 Å²	116	51.8 Å²	51.8	70%	0.703	28%	0.276	S	S	*	.	S	Bend	trans	-68	-39.1	177.3	179.6	0	0	0	0	111.6	A194 K195	V161-A194 WeakPolarHBondContact O-CA 3.47Å; V161-K195 PolarHBondContact O-N 3.41Å
162	N	96.6	Very high	94.9	Very high	54 Å²	54	51.6 Å²	51.6	29%	0.289	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	154.7	-179.9	-62.9	-21.4	0	0	0	111	S191 C193 K195	N162-S191 WeakPolarHBondContact CB-O 3.37Å; N162-S191 PolarHBondContact ND2-O 2.86Å; N162-C193 CarbonylContact C-O 3.49Å; N162-C193 WeakPolarHBondContact CA-O 3.28Å; N162-C193 WeakPolarHBondContact CB-O 3.39Å; N162-K195 WeakPolarHBondContact O-CE 3.41Å
163	H	97.2	Very high	94.3	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	146.7	168.3	-69.7	-74	0	0	0	111	N155 S191 C193 K195 V198 V203	N155-H163 WeakPolarHBondContact OD1-CA 3.27Å; H163-S191 WeakPolarHBondContact O-CA 3.23Å; H163-S191 WeakPolarHBondContact O-CB 3.28Å; H163-S191 PolarHBondContact O-N 3.2Å; H163-S191 PolarHBondContact O-OG 2.98Å; H163-C193 PolarHBondContact N-O 3.44Å; H163-K195 WeakPolarHBondContact NE2-CA 3.35Å; H163-V198 PolarHBondContact NE2-O 3.26Å; H163-V203 HydrophobicContact CB-CG1 3.86Å; H163-V203 HydrophobicContact CB-CG2 3.77Å; H163-V203 WeakPolarHBondContact ND1-CG2 3.4Å
164	D	97.4	Very high	93.8	Very high	11 Å²	11	49.5 Å²	49.5	6%	0.059	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	143.1	162.4	-62.9	-40.9	0	0	0	109.7	L151 R154 N155 I188 G189	L151-D164 HydrophobicContact CD1-CB 3.97Å; L151-D164 WeakPolarHBondContact CD2-O 3.34Å; R154-D164 IonicContact CZ-OD2 3.25Å; R154-D164 VanDerWaalsContact CZ-OD2 3.29Å; R154-D164 IonicContact NE-OD2 2.96Å; R154-D164 PolarHBondContact NE-OD2 2.95Å; R154-D164 VanDerWaalsContact NE-OD2 3.17Å; R154-D164 IonicContact NH2-OD2 2.65Å; R154-D164 PolarHBondContact NH2-OD2 2.7Å; N155-D164 PolarHBondContact ND2-O 2.74Å; N155-D164 PolarHBondContact OD1-N 3.23Å; D164-I188 HydrophobicContact CB-CD1 3.87Å; D164-G189 CarbonylContact C-O 3.58Å; D164-G189 WeakPolarHBondContact CA-O 3.28Å
165	V	97	Very high	93.2	Very high	8 Å²	8	49.3 Å²	49.3	5%	0.048	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	152.6	174.6	-72.2	0	0	0	0	110.2	I167 I188 G189 V203 C207 L209	V165-I167 PolarHBondContact O-N 3.39Å; V165-I188 CarbonylContact O-C 3.42Å; V165-I188 VanDerWaalsContact O-CA 3.25Å; V165-I188 WeakPolarHBondContact O-CA 3.42Å; V165-I188 WeakPolarHBondContact O-CB 3.46Å; V165-G189 WeakPolarHBondContact CG2-O 3.49Å; V165-G189 PolarHBondContact N-O 3.43Å; V165-G189 PolarHBondContact O-N 2.9Å; V165-V203 HydrophobicContact CG1-CG1 3.47Å; V165-V203 VanDerWaalsContact CG1-CG1 3.47Å; V165-C207 HydrophobicContact CG1-CB 3.83Å; V165-L209 HydrophobicContact CG2-CB 4.28Å; V165-L209 HydrophobicContact CG2-CD2 3.3Å; V165-L209 HydrophobicContact CG2-CG 3.49Å; V165-L209 VanDerWaalsContact CG2-CG 3.49Å
166	L	97.1	Very high	92.5	Very high	41 Å²	41	53 Å²	53	22%	0.215	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	124.8	177.3	-176.5	69.2	0	0	0	109.9	A147 L151 I169 A186 I188	A147-L166 HydrophobicContact CB-CD1 4.48Å; A147-L166 HydrophobicContact CB-CD2 4.06Å; L151-L166 HydrophobicContact CD2-CB 4.15Å; L151-L166 VanDerWaalsContact CD2-N 3.32Å; L166-I169 HydrophobicContact CD1-CG1 3.96Å; L166-I169 HydrophobicContact CD2-CD1 3.98Å; L166-I169 HydrophobicContact CD2-CG1 3.89Å; L166-I169 HydrophobicContact CG-CG1 4.39Å; L166-A186 HydrophobicContact CD1-CB 3.83Å; L166-I188 HydrophobicContact CD1-CG2 4.35Å
167	I	95.9	Very high	92	Very high	32 Å²	32	51.1 Å²	51.1	16%	0.164	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-57.4	171.8	-56.6	174.7	0	0	0	109.2	V165 Y187 I188 L209 A215 A246 L247	V165-I167 PolarHBondContact O-N 3.39Å; I167-Y187 WeakPolarHBondContact CB-O 3.02Å; I167-Y187 PolarHBondContact N-O 3.03Å; I167-I188 VanDerWaalsContact CD1-C 3.49Å; I167-I188 WeakPolarHBondContact CD1-O 3.33Å; I167-L209 HydrophobicContact CD1-CD2 4.22Å; I167-L209 HydrophobicContact CG1-CD1 3.79Å; I167-L209 HydrophobicContact CG1-CD2 3.78Å; I167-L209 HydrophobicContact CG1-CG 4.37Å; I167-L209 HydrophobicContact CG2-CD1 4.48Å; I167-A215 HydrophobicContact CD1-CB 3.69Å; I167-A246 HydrophobicContact CB-CB 4.36Å; I167-A246 HydrophobicContact CD1-CB 3.99Å; I167-A246 HydrophobicContact CG2-CB 3.83Å; I167-L247 HydrophobicContact CG2-CD2 4.21Å
168	K	94.5	Very high	91.6	Very high	79 Å²	79	48.6 Å²	48.6	34%	0.343	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	141.1	-173.8	-172.3	171.6	-171.5	171.7	0	111.2	V170 A186 Y187 A246 A249	K168-V170 HydrophobicContact CD-CG1 4.18Å; K168-V170 HydrophobicContact CG-CG1 4.14Å; K168-A186 CarbonylContact O-C 3.56Å; K168-A186 VanDerWaalsContact O-CA 3.28Å; K168-A186 WeakPolarHBondContact O-CA 3.46Å; K168-Y187 PolarHBondContact N-O 3.25Å; K168-Y187 PolarHBondContact O-N 3.19Å; K168-A246 WeakPolarHBondContact CD-O 3.33Å; K168-A249 VanDerWaalsContact CE-O 3.28Å; K168-A249 WeakPolarHBondContact CE-O 3.42Å; K168-A249 PolarHBondContact NZ-O 2.76Å
169	I	95.5	Very high	91.5	Very high	18 Å²	18	47.3 Å²	47.3	9%	0.092	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.8	165.3	-53.4	173.4	0	0	0	106.4	A138 V143 A147 L166 A186	A138-I169 HydrophobicContact CB-CB 4.22Å; A138-I169 HydrophobicContact CB-CG2 3.9Å; V143-I169 HydrophobicContact CG1-CD1 3.67Å; V143-I169 HydrophobicContact CG1-CG2 4.02Å; A147-I169 HydrophobicContact CB-CD1 3.55Å; A147-I169 HydrophobicContact CB-CG1 4.28Å; L166-I169 HydrophobicContact CD1-CG1 3.96Å; L166-I169 HydrophobicContact CD2-CD1 3.98Å; L166-I169 HydrophobicContact CD2-CG1 3.89Å; L166-I169 HydrophobicContact CG-CG1 4.39Å; I169-A186 HydrophobicContact CG1-CB 4.24Å
170	V	91.5	Very high	91.5	Very high	12 Å²	12	41.3 Å²	41.3	7%	0.073	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-33.9	-177.4	-63.5	0	0	0	0	111.8	K168 I185 Y187 A249	K168-V170 HydrophobicContact CD-CG1 4.18Å; K168-V170 HydrophobicContact CG-CG1 4.14Å; V170-I185 HydrophobicContact CG2-CB 3.81Å; V170-I185 HydrophobicContact CG2-CG2 3.54Å; V170-I185 VanDerWaalsContact CG2-O 3.31Å; V170-I185 WeakPolarHBondContact CG2-O 3.49Å; V170-I185 PolarHBondContact N-O 2.88Å; V170-Y187 HydrophobicContact CG1-CD2 3.9Å; V170-Y187 HydrophobicContact CG1-CE2 3.87Å; V170-Y187 HydrophobicContact CG2-CE2 4.28Å; V170-A249 HydrophobicContact CG1-CB 3.7Å
171	E	87.7	Confident	91.5	Very high	114 Å²	114	40.5 Å²	40.5	53%	0.533	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	144.3	177.6	-62.8	175.4	-157.6	0	0	110.2	L184 I185	E171-L184 WeakPolarHBondContact O-CA 3.41Å; E171-I185 HydrophobicContact CB-CB 4.05Å; E171-I185 HydrophobicContact CB-CG1 4.06Å; E171-I185 PolarHBondContact N-O 3.22Å; E171-I185 PolarHBondContact O-N 2.92Å
172	A	88.7	Confident	91.6	Very high	5 Å²	5	35.1 Å²	35.1	4%	0.041	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	143.6	173.9	0	0	0	0	0	110.4	S135 M136 V143 L184	S135-A172 PolarHBondContact OG-O 2.91Å; M136-A172 HydrophobicContact CB-CB 3.96Å; M136-A172 PolarHBondContact N-O 2.83Å; V143-A172 HydrophobicContact CB-CB 4.34Å; V143-A172 HydrophobicContact CG1-CB 3.67Å; V143-A172 HydrophobicContact CG2-CB 3.67Å; A172-L184 HydrophobicContact CB-CD2 3.56Å
173	S	85.7	Confident	91.6	Very high	22 Å²	22	36.6 Å²	36.6	15%	0.154	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	147.2	174.2	53.2	0	0	0	0	110	F134 Y182 K183	F134-S173 CarbonylContact O-C 3.52Å; F134-S173 WeakPolarHBondContact O-CA 3.22Å; F134-S173 VanDerWaalsContact O-CB 3.25Å; F134-S173 WeakPolarHBondContact O-CB 3.41Å; S173-Y182 WeakPolarHBondContact O-CA 3.29Å; S173-K183 PolarHBondContact N-O 2.9Å; S173-K183 PolarHBondContact O-N 3.2Å; S173-K183 WeakPolarHBondContact OG-CB 3.4Å; S173-K183 PolarHBondContact OG-O 3.38Å
174	G	86.8	Confident	91.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	156.9	179	0	0	0	0	0	110.4	W133 F134 N181	W133-G174 CarbonylContact C-O 3.51Å; W133-G174 VanDerWaalsContact CA-O 3.26Å; W133-G174 WeakPolarHBondContact CA-O 3.48Å; F134-G174 WeakPolarHBondContact CD1-O 3.48Å; F134-G174 VanDerWaalsContact CE1-O 3.32Å; F134-G174 WeakPolarHBondContact CE1-O 3.42Å; F134-G174 PolarHBondContact N-O 2.84Å; F134-G174 PolarHBondContact O-N 3.15Å; G174-N181 CarbonylContact C-O 3.5Å; G174-N181 VanDerWaalsContact CA-O 3.27Å; G174-N181 WeakPolarHBondContact CA-O 3.33Å
175	Q	83.8	Confident	91.5	Very high	37 Å²	37	36.9 Å²	36.9	17%	0.173	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	124.2	173.3	170.9	-171.6	48.3	0	0	108.7	G131 G132 W133 V177 N181	G131-Q175 WeakPolarHBondContact O-CG 3.34Å; G131-Q175 PolarHBondContact O-NE2 2.79Å; G132-Q175 WeakPolarHBondContact O-CA 3.38Å; G132-Q175 WeakPolarHBondContact O-CB 3.46Å; G132-Q175 WeakPolarHBondContact O-CG 3.42Å; W133-Q175 HydrophobicContact CD2-CB 3.85Å; W133-Q175 HydrophobicContact CE3-CB 3.89Å; W133-Q175 HydrophobicContact CG-CB 4.25Å; W133-Q175 HydrophobicContact CZ3-CB 4.23Å; Q175-V177 HydrophobicContact CG-CG1 4.13Å; Q175-V177 PolarHBondContact O-N 3.31Å; Q175-N181 HydrophobicContact CB-CB 4.05Å; Q175-N181 PolarHBondContact N-O 2.91Å; Q175-N181 PolarHBondContact O-N 2.99Å; Q175-N181 PolarHBondContact OE1-ND2 3.02Å
176	V	82.4	Confident	91.5	Very high	81 Å²	81	36.5 Å²	36.5	49%	0.491	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	124.6	177.1	-176.4	0	0	0	0	109.4	G131 F134 M180	G131-V176 WeakPolarHBondContact CA-O 3.46Å; F134-V176 HydrophobicContact CE1-CG2 4.05Å; V176-M180 HydrophobicContact CB-SD 4.33Å; V176-M180 HydrophobicContact CG2-CE 4.37Å; V176-M180 HydrophobicContact CG2-SD 3.9Å
177	V	85.7	Confident	91.5	Very high	58 Å²	58	34.8 Å²	34.8	35%	0.352	19%	0.187	S	C	.	.	S	Bend	trans	-134.5	-151.6	174.5	-66.9	0	0	0	0	108.4	Q175 G179 Y223	Q175-V177 HydrophobicContact CG-CG1 4.13Å; Q175-V177 PolarHBondContact O-N 3.31Å; V177-G179 CarbonylContact C-O 3.56Å; V177-G179 PolarHBondContact N-O 3.09Å; V177-G179 PolarHBondContact O-N 3.39Å; V177-Y223 HydrophobicContact CG2-CD2 4.06Å; V177-Y223 HydrophobicContact CG2-CE2 3.7Å
178	S	87.8	Confident	91.6	Very high	87 Å²	87	33.3 Å²	33.3	61%	0.608	18%	0.179	S	C	*	.	S	Bend	trans	-71.4	43.9	164.2	-160.2	0	0	0	0	111.8	Y223 Q225 W227	S178-Y223 PolarHBondContact O-OH 2.83Å; S178-Q225 VanDerWaalsContact O-CD 3.26Å; S178-Q225 PolarHBondContact O-NE2 2.56Å; S178-Q225 VanDerWaalsContact O-NE2 3.15Å; S178-W227 WeakPolarHBondContact O-CZ2 3.15Å
179	G	90.1	Very high	91.7	Very high	4 Å²	4	29.7 Å²	29.7	4%	0.041	16%	0.164	C	C	.	.	S	Bend	trans	151.7	-152	-163.2	0	0	0	0	0	108.3	V177 D224	V177-G179 CarbonylContact C-O 3.56Å; V177-G179 PolarHBondContact N-O 3.09Å; V177-G179 PolarHBondContact O-N 3.39Å; G179-D224 CarbonylContact C-O 3.49Å; G179-D224 WeakPolarHBondContact CA-O 3.45Å
180	M	92.3	Very high	91.7	Very high	36 Å²	36	30.1 Å²	30.1	18%	0.177	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	120.9	176.8	-71	-59.7	-60.1	0	0	109.9	F134 V176 Y182 Y223 D224	F134-M180 HydrophobicContact CE1-CE 3.82Å; F134-M180 HydrophobicContact CZ-CE 3.59Å; V176-M180 HydrophobicContact CB-SD 4.33Å; V176-M180 HydrophobicContact CG2-CE 4.37Å; V176-M180 HydrophobicContact CG2-SD 3.9Å; M180-Y182 HydrophobicContact CB-CD2 4.34Å; M180-Y182 HydrophobicContact CB-CE1 4.44Å; M180-Y182 HydrophobicContact CB-CE2 3.49Å; M180-Y182 VanDerWaalsContact CB-CE2 3.49Å; M180-Y182 WeakPolarHBondContact CB-OH 3.44Å; M180-Y223 CarbonylContact O-C 3.58Å; M180-Y223 WeakPolarHBondContact O-CA 3.4Å; M180-D224 PolarHBondContact N-O 3.4Å; M180-D224 PolarHBondContact O-N 2.99Å
181	N	94.5	Very high	92	Very high	35 Å²	35	29.5 Å²	29.5	19%	0.187	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	140.5	162.8	-75.9	-27.7	0	0	0	108.7	W133 G174 Q175 A222 Y223	W133-N181 HydrophobicContact CH2-CB 3.72Å; W133-N181 HydrophobicContact CZ2-CB 4.14Å; W133-N181 HydrophobicContact CZ3-CB 4.29Å; G174-N181 CarbonylContact C-O 3.5Å; G174-N181 VanDerWaalsContact CA-O 3.27Å; G174-N181 WeakPolarHBondContact CA-O 3.33Å; Q175-N181 HydrophobicContact CB-CB 4.05Å; Q175-N181 PolarHBondContact N-O 2.91Å; Q175-N181 PolarHBondContact O-N 2.99Å; Q175-N181 PolarHBondContact OE1-ND2 3.02Å; N181-A222 CarbonylContact C-O 3.52Å; N181-A222 WeakPolarHBondContact CA-O 2.9Å; N181-Y223 WeakPolarHBondContact OD1-CD2 3.28Å
182	Y	96.3	Very high	92.4	Very high	3 Å²	3	29.7 Å²	29.7	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	144.3	173.4	-57.8	-90.9	0	0	0	109.9	W133 M136 Q142 V146 S173 M180 K221 A222 D224	W133-Y182 VanDerWaalsContact CH2-C 3.49Å; M136-Y182 HydrophobicContact CE-CD1 4.45Å; M136-Y182 HydrophobicContact CE-CE1 3.98Å; M136-Y182 HydrophobicContact SD-CD1 3.78Å; M136-Y182 HydrophobicContact SD-CE1 3.86Å; Q142-Y182 HydrophobicContact CG-CE1 4.2Å; Q142-Y182 PolarHBondContact NE2-OH 3.44Å; V146-Y182 HydrophobicContact CB-CG 4.47Å; V146-Y182 HydrophobicContact CG1-CD2 4.05Å; V146-Y182 HydrophobicContact CG1-CG 3.92Å; V146-Y182 HydrophobicContact CG2-CD1 4.02Å; V146-Y182 HydrophobicContact CG2-CD2 3.83Å; V146-Y182 HydrophobicContact CG2-CE1 3.93Å; V146-Y182 HydrophobicContact CG2-CE2 3.72Å; V146-Y182 HydrophobicContact CG2-CG 3.95Å; S173-Y182 WeakPolarHBondContact O-CA 3.29Å; M180-Y182 HydrophobicContact CB-CD2 4.34Å; M180-Y182 HydrophobicContact CB-CE1 4.44Å; M180-Y182 HydrophobicContact CB-CE2 3.49Å; M180-Y182 VanDerWaalsContact CB-CE2 3.49Å; M180-Y182 WeakPolarHBondContact CB-OH 3.44Å; Y182-K221 CarbonylContact O-C 3.59Å; Y182-K221 VanDerWaalsContact O-CA 3.26Å; Y182-K221 WeakPolarHBondContact O-CA 3.31Å; Y182-A222 PolarHBondContact N-O 3.21Å; Y182-A222 PolarHBondContact O-N 3.29Å; Y182-D224 HydrophobicContact CD2-CB 4.43Å; Y182-D224 HydrophobicContact CE2-CB 3.62Å
183	K	95.5	Very high	92.7	Very high	85 Å²	85	30.4 Å²	30.4	37%	0.37	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	115.6	169.2	174.3	-172	176.7	-168	0	107.6	W133 S173 I220 K221	W133-K183 HydrophobicContact CE3-CB 4.11Å; W133-K183 HydrophobicContact CH2-CB 3.6Å; W133-K183 HydrophobicContact CZ2-CB 4.35Å; W133-K183 HydrophobicContact CZ3-CB 3.49Å; W133-K183 VanDerWaalsContact CZ3-CB 3.49Å; S173-K183 PolarHBondContact N-O 2.9Å; S173-K183 PolarHBondContact O-N 3.2Å; S173-K183 WeakPolarHBondContact OG-CB 3.4Å; S173-K183 PolarHBondContact OG-O 3.38Å; K183-I220 CarbonylContact C-O 3.51Å; K183-I220 VanDerWaalsContact CA-O 3.27Å; K183-I220 WeakPolarHBondContact CA-O 3.49Å; K183-K221 HydrophobicContact CB-CG 4.37Å; K183-K221 HydrophobicContact CG-CG 4.3Å
184	L	96.4	Very high	93.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	140.5	-178.5	-47.2	-177.5	0	0	0	109.8	V143 V146 A147 E171 A172 T219 I220	V143-L184 HydrophobicContact CG1-CD2 3.93Å; V146-L184 HydrophobicContact CB-CD1 4.29Å; V146-L184 HydrophobicContact CG1-CD1 3.9Å; A147-L184 HydrophobicContact CB-CD1 3.87Å; E171-L184 WeakPolarHBondContact O-CA 3.41Å; A172-L184 HydrophobicContact CB-CD2 3.56Å; L184-T219 WeakPolarHBondContact O-CA 3.45Å; L184-I220 HydrophobicContact CB-CB 4.26Å; L184-I220 PolarHBondContact N-O 3.3Å; L184-I220 PolarHBondContact O-N 2.97Å
185	I	96	Very high	93.5	Very high	18 Å²	18	32.5 Å²	32.5	9%	0.092	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	117.4	162.3	-50.7	-59.8	0	0	0	106.9	V170 E171 K217 C218 T219	V170-I185 HydrophobicContact CG2-CB 3.81Å; V170-I185 HydrophobicContact CG2-CG2 3.54Å; V170-I185 VanDerWaalsContact CG2-O 3.31Å; V170-I185 WeakPolarHBondContact CG2-O 3.49Å; V170-I185 PolarHBondContact N-O 2.88Å; E171-I185 HydrophobicContact CB-CB 4.05Å; E171-I185 HydrophobicContact CB-CG1 4.06Å; E171-I185 PolarHBondContact N-O 3.22Å; E171-I185 PolarHBondContact O-N 2.92Å; I185-K217 HydrophobicContact CG2-CG 4.25Å; I185-C218 WeakPolarHBondContact CA-O 3.49Å; I185-T219 HydrophobicContact CD1-CG2 3.98Å; I185-T219 WeakPolarHBondContact CD1-OG1 3.35Å
186	A	96.7	Very high	94	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	147.4	-174.8	0	0	0	0	0	111.4	L166 K168 I169 C218 I220	L166-A186 HydrophobicContact CD1-CB 3.83Å; K168-A186 CarbonylContact O-C 3.56Å; K168-A186 VanDerWaalsContact O-CA 3.28Å; K168-A186 WeakPolarHBondContact O-CA 3.46Å; I169-A186 HydrophobicContact CG1-CB 4.24Å; A186-C218 PolarHBondContact N-O 3.19Å; A186-C218 WeakPolarHBondContact O-CB 3.4Å; A186-C218 PolarHBondContact O-N 2.83Å; A186-I220 HydrophobicContact CB-CD1 4.26Å
187	Y	97.6	Very high	94.6	Very high	5 Å²	5	40.9 Å²	40.9	2%	0.02	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	135.7	169.3	-71	-95.8	0	0	0	110.1	I167 K168 V170 E216 K217 A241 E245 A246 A249	I167-Y187 WeakPolarHBondContact CB-O 3.02Å; I167-Y187 PolarHBondContact N-O 3.03Å; K168-Y187 PolarHBondContact N-O 3.25Å; K168-Y187 PolarHBondContact O-N 3.19Å; V170-Y187 HydrophobicContact CG1-CD2 3.9Å; V170-Y187 HydrophobicContact CG1-CE2 3.87Å; V170-Y187 HydrophobicContact CG2-CE2 4.28Å; Y187-E216 VanDerWaalsContact CA-O 3.24Å; Y187-E216 WeakPolarHBondContact CA-O 3.49Å; Y187-K217 HydrophobicContact CD1-CB 4.02Å; Y187-K217 HydrophobicContact CD1-CG 4.48Å; Y187-K217 HydrophobicContact CE1-CB 3.62Å; Y187-K217 HydrophobicContact CE1-CD 4.31Å; Y187-K217 HydrophobicContact CE1-CG 3.96Å; Y187-K217 HydrophobicContact CE2-CD 4.42Å; Y187-K217 HydrophobicContact CE2-CG 4.15Å; Y187-K217 WeakPolarHBondContact OH-CD 3.37Å; Y187-A241 HydrophobicContact CD1-CB 4.03Å; Y187-A241 HydrophobicContact CE1-CB 3.73Å; Y187-E245 HydrophobicContact CE1-CG 4.2Å; Y187-E245 WeakPolarHBondContact CE1-OE1 3.23Å; Y187-E245 PolarHBondContact OH-OE1 3.46Å; Y187-A246 VanDerWaalsContact CB-CB 3.46Å; Y187-A246 HydrophobicContact CD1-CB 3.47Å; Y187-A246 VanDerWaalsContact CD1-CB 3.47Å; Y187-A246 HydrophobicContact CD2-CB 4.25Å; Y187-A246 HydrophobicContact CE1-CB 4.23Å; Y187-A246 HydrophobicContact CG-CB 3.47Å; Y187-A246 VanDerWaalsContact CG-CB 3.47Å; Y187-A249 HydrophobicContact CD2-CB 4.41Å; Y187-A249 HydrophobicContact CE2-CB 3.66Å
188	I	97.6	Very high	95.2	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	164.9	174.5	71	171.8	0	0	0	110	L151 D164 V165 L166 I167 A215 E216 F236	L151-I188 HydrophobicContact CD1-CD1 3.99Å; L151-I188 HydrophobicContact CD1-CG2 4.1Å; L151-I188 HydrophobicContact CD2-CG2 4.46Å; D164-I188 HydrophobicContact CB-CD1 3.87Å; V165-I188 CarbonylContact O-C 3.42Å; V165-I188 VanDerWaalsContact O-CA 3.25Å; V165-I188 WeakPolarHBondContact O-CA 3.42Å; V165-I188 WeakPolarHBondContact O-CB 3.46Å; L166-I188 HydrophobicContact CD1-CG2 4.35Å; I167-I188 VanDerWaalsContact CD1-C 3.49Å; I167-I188 WeakPolarHBondContact CD1-O 3.33Å; I188-A215 CarbonylContact O-C 3.48Å; I188-A215 VanDerWaalsContact O-CA 3.25Å; I188-A215 WeakPolarHBondContact O-CA 3.39Å; I188-A215 WeakPolarHBondContact O-CB 3.35Å; I188-E216 HydrophobicContact CG1-CB 4.14Å; I188-E216 PolarHBondContact N-O 3.47Å; I188-E216 PolarHBondContact O-N 3.29Å; I188-F236 HydrophobicContact CD1-CE1 4.26Å; I188-F236 HydrophobicContact CD1-CZ 4.41Å
189	G	96.8	Very high	95.6	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	165.6	174.1	0	0	0	0	0	112.3	D164 V165	D164-G189 CarbonylContact C-O 3.58Å; D164-G189 WeakPolarHBondContact CA-O 3.28Å; V165-G189 WeakPolarHBondContact CG2-O 3.49Å; V165-G189 PolarHBondContact N-O 3.43Å; V165-G189 PolarHBondContact O-N 2.9Å
190	P	96.3	Very high	95.8	Very high	27 Å²	27	42.5 Å²	42.5	18%	0.175	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	137.3	-178.1	26.9	-32.8	0	0	0	111.2	N210 S214	P190-N210 WeakPolarHBondContact CB-ND2 3.28Å; P190-N210 WeakPolarHBondContact CG-ND2 3.05Å; P190-N210 VanDerWaalsContact O-CG 3.22Å; P190-N210 PolarHBondContact O-N 2.99Å; P190-N210 PolarHBondContact O-OD1 2.68Å; P190-S214 VanDerWaalsContact CD-O 3.31Å; P190-S214 WeakPolarHBondContact CD-O 3.21Å
191	S	96.9	Very high	95.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	171.6	175.5	74.6	0	0	0	0	112.6	N162 H163 C193 Q208	N162-S191 WeakPolarHBondContact CB-O 3.37Å; N162-S191 PolarHBondContact ND2-O 2.86Å; H163-S191 WeakPolarHBondContact O-CA 3.23Å; H163-S191 WeakPolarHBondContact O-CB 3.28Å; H163-S191 PolarHBondContact O-N 3.2Å; H163-S191 PolarHBondContact O-OG 2.98Å; S191-C193 VanDerWaalsContact C-N 3.27Å; S191-C193 PolarHBondContact OG-N 2.95Å; S191-C193 VanDerWaalsContact OG-N 3.15Å; S191-C193 PolarHBondContact OG-O 2.78Å; S191-Q208 CarbonylContact C-O 3.46Å; S191-Q208 VanDerWaalsContact CA-O 3.23Å; S191-Q208 WeakPolarHBondContact CA-O 3.39Å; S191-Q208 VanDerWaalsContact CB-O 3.28Å; S191-Q208 WeakPolarHBondContact CB-O 3.25Å
192	K	95.9	Very high	96	Very high	117 Å²	117	47.3 Å²	47.3	51%	0.509	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-8.9	167.4	-58.9	-173.5	-178.1	-173.7	0	113	Q208 L209 N210 D211	K192-Q208 PolarHBondContact N-O 2.77Å; K192-L209 WeakPolarHBondContact CE-O 3.35Å; K192-N210 HydrophobicContact CG-CB 3.86Å; K192-D211 WeakPolarHBondContact CE-OD1 3.25Å; K192-D211 WeakPolarHBondContact CE-OD2 3.45Å; K192-D211 VanDerWaalsContact NZ-CG 3.27Å; K192-D211 IonicContact NZ-OD1 2.68Å; K192-D211 PolarHBondContact NZ-OD1 2.78Å; K192-D211 IonicContact NZ-OD2 2.65Å; K192-D211 PolarHBondContact NZ-OD2 2.98Å
193	C	96.4	Very high	96	Very high	21 Å²	21	47.3 Å²	47.3	14%	0.142	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	125.6	-177.9	-67.3	0	0	0	0	111.6	N162 H163 S191 V198 C207	N162-C193 CarbonylContact C-O 3.49Å; N162-C193 WeakPolarHBondContact CA-O 3.28Å; N162-C193 WeakPolarHBondContact CB-O 3.39Å; H163-C193 PolarHBondContact N-O 3.44Å; S191-C193 VanDerWaalsContact C-N 3.27Å; S191-C193 PolarHBondContact OG-N 2.95Å; S191-C193 VanDerWaalsContact OG-N 3.15Å; S191-C193 PolarHBondContact OG-O 2.78Å; C193-V198 HydrophobicContact CB-CG2 4.11Å; C193-C207 HydrophobicContact CB-CB 3.88Å; C193-C207 WeakPolarHBondContact CB-SG 3.43Å; C193-C207 WeakPolarHBondContact SG-CA 3.43Å; C193-C207 WeakPolarHBondContact SG-CB 3.47Å; C193-C207 CovalentContact SG-SG 2.03Å; C193-C207 PolarHBondContact SG-SG 3.34Å
194	A	95.7	Very high	96	Very high	16 Å²	16	49 Å²	49	13%	0.132	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	147.6	168.7	0	0	0	0	0	110.9	V161 K196 D197	V161-A194 WeakPolarHBondContact O-CA 3.47Å; A194-K196 HydrophobicContact CB-CG 3.99Å; A194-K196 PolarHBondContact O-N 2.92Å; A194-K196 VanDerWaalsContact O-N 3.12Å; A194-D197 WeakPolarHBondContact CB-OD2 3.38Å; A194-D197 PolarHBondContact O-N 3.1Å
195	K	93.8	Very high	96	Very high	49 Å²	49	53.3 Å²	53.3	21%	0.213	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21	-178	-66.5	-163.6	-177.2	-178	0	115.3	N155 S158 S160 V161 N162 H163 D197	N155-K195 WeakPolarHBondContact O-CE 3.48Å; N155-K195 PolarHBondContact O-NZ 3.36Å; S158-K195 VanDerWaalsContact C-NZ 3.25Å; S158-K195 VanDerWaalsContact CB-NZ 3.31Å; S158-K195 PolarHBondContact O-NZ 2.88Å; S158-K195 PolarHBondContact OG-NZ 3.49Å; S160-K195 WeakPolarHBondContact O-CD 3.09Å; S160-K195 WeakPolarHBondContact O-CE 3.24Å; V161-K195 PolarHBondContact O-N 3.41Å; N162-K195 WeakPolarHBondContact O-CE 3.41Å; H163-K195 WeakPolarHBondContact NE2-CA 3.35Å; K195-D197 VanDerWaalsContact C-N 3.34Å
196	K	93.6	Very high	95.9	Very high	181 Å²	181	58.7 Å²	58.7	79%	0.787	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-21.1	177.3	61.1	171.6	-169.4	176.7	0	113.1	A194	A194-K196 HydrophobicContact CB-CG 3.99Å; A194-K196 PolarHBondContact O-N 2.92Å; A194-K196 VanDerWaalsContact O-N 3.12Å
197	D	95.7	Very high	95.9	Very high	113 Å²	113	59.4 Å²	59.4	60%	0.604	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-25.8	-169.4	-59.3	-42.4	0	0	0	112.2	A194 K195	A194-D197 WeakPolarHBondContact CB-OD2 3.38Å; A194-D197 PolarHBondContact O-N 3.1Å; K195-D197 VanDerWaalsContact C-N 3.34Å
198	V	96.7	Very high	95.8	Very high	22 Å²	22	66.2 Å²	66.2	13%	0.133	33%	0.329	C	S	.	.	S	Bend	trans	-129.7	141.9	-177.5	-176.9	0	0	0	0	109.3	H163 C193 D202 V203 K206	H163-V198 PolarHBondContact NE2-O 3.26Å; C193-V198 HydrophobicContact CB-CG2 4.11Å; V198-D202 HydrophobicContact CG1-CB 3.88Å; V198-V203 HydrophobicContact CG1-CG2 4.18Å; V198-K206 HydrophobicContact CG1-CB 4.35Å; V198-K206 HydrophobicContact CG1-CD 4.41Å
199	K	96	Very high	95.6	Very high	131 Å²	131	67.9 Å²	67.9	57%	0.57	34%	0.337	S	S	*	.			trans	-78.5	144.6	174.3	-62.1	-172.6	-178.9	-177.8	0	110.3	E201 D202 V203	K199-E201 HydrophobicContact CB-CG 4.24Å; K199-E201 VanDerWaalsContact CD-OE1 3.28Å; K199-E201 WeakPolarHBondContact CD-OE1 3.23Å; K199-E201 PolarHBondContact O-N 3.47Å; K199-E201 VanDerWaalsContact O-N 3.1Å; K199-D202 PolarHBondContact O-N 3.27Å; K199-V203 PolarHBondContact O-N 3.31Å
200	P	95.4	Very high	95.5	Very high	30 Å²	30	69.4 Å²	69.4	20%	0.195	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-49.9	-37.8	-178.9	-28.5	35	0	0	0	115.1	A152 N155 T156 D202 V203	A152-P200 HydrophobicContact CB-CB 4.19Å; A152-P200 WeakPolarHBondContact CB-O 3.28Å; A152-P200 WeakPolarHBondContact O-CB 3.42Å; N155-P200 HydrophobicContact CB-CB 4.05Å; T156-P200 WeakPolarHBondContact OG1-CG 3.41Å; P200-D202 VanDerWaalsContact C-N 3.34Å; P200-D202 PolarHBondContact O-N 3.02Å; P200-V203 WeakPolarHBondContact O-CG2 3.25Å
201	E	94.8	Very high	95.3	Very high	123 Å²	123	74.5 Å²	74.5	58%	0.575	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-69	-25.7	178	59	-89.7	-156	0	0	114.3	K199	K199-E201 HydrophobicContact CB-CG 4.24Å; K199-E201 VanDerWaalsContact CD-OE1 3.28Å; K199-E201 WeakPolarHBondContact CD-OE1 3.23Å; K199-E201 PolarHBondContact O-N 3.47Å; K199-E201 VanDerWaalsContact O-N 3.1Å
202	D	96.5	Very high	94.9	Very high	49 Å²	49	77 Å²	77	26%	0.262	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-89.8	-14.2	-177.5	-73.9	-23.5	0	0	0	113	V198 K199 P200 H204 S205 K206	V198-D202 HydrophobicContact CG1-CB 3.88Å; K199-D202 PolarHBondContact O-N 3.27Å; P200-D202 VanDerWaalsContact C-N 3.34Å; P200-D202 PolarHBondContact O-N 3.02Å; D202-H204 VanDerWaalsContact C-N 3.3Å; D202-H204 PolarHBondContact O-N 2.83Å; D202-S205 PolarHBondContact O-N 2.76Å; D202-S205 PolarHBondContact O-OG 2.76Å; D202-K206 HydrophobicContact CB-CD 3.95Å; D202-K206 HydrophobicContact CB-CG 4.47Å; D202-K206 PolarHBondContact O-N 3.17Å; D202-K206 VanDerWaalsContact O-N 3.1Å; D202-K206 IonicContact OD2-NZ 2.69Å; D202-K206 PolarHBondContact OD2-NZ 2.04Å
203	V	96.5	Very high	94.7	Very high	4 Å²	4	75.6 Å²	75.6	2%	0.024	39%	0.386	C	S	.	.	H	α-helix	trans	-52.5	-45.1	-170.6	170.9	0	0	0	0	112.2	H163 V165 V198 K199 P200 S205 K206 C207	H163-V203 HydrophobicContact CB-CG1 3.86Å; H163-V203 HydrophobicContact CB-CG2 3.77Å; H163-V203 WeakPolarHBondContact ND1-CG2 3.4Å; V165-V203 HydrophobicContact CG1-CG1 3.47Å; V165-V203 VanDerWaalsContact CG1-CG1 3.47Å; V198-V203 HydrophobicContact CG1-CG2 4.18Å; K199-V203 PolarHBondContact O-N 3.31Å; P200-V203 WeakPolarHBondContact O-CG2 3.25Å; V203-S205 PolarHBondContact O-N 2.79Å; V203-K206 PolarHBondContact O-N 2.86Å; V203-C207 HydrophobicContact CG1-CB 3.99Å; V203-C207 VanDerWaalsContact O-CB 3.23Å; V203-C207 WeakPolarHBondContact O-CB 3.44Å; V203-C207 PolarHBondContact O-N 2.89Å
204	H	94.8	Very high	94.6	Very high	119 Å²	119	77.8 Å²	77.8	55%	0.551	40%	0.402	S	S	*	.	H	α-helix	trans	-58.9	-34.9	-179.1	172.8	46	0	0	0	112.9	H148 D202	H148-H204 HydrophobicContact CB-CB 4.44Å; H148-H204 AromaticContact CD2-CD2 3.41Å; H148-H204 PolarHBondContact CD2-CD2 3.42Å; H148-H204 VanDerWaalsContact CD2-CD2 3.41Å; H148-H204 AromaticContact CD2-CG 3.73Å; H148-H204 AromaticContact CD2-NE2 3.71Å; H148-H204 AromaticContact CE1-CD2 3.58Å; H148-H204 AromaticContact CE1-CE1 3.27Å; H148-H204 PolarHBondContact CE1-CE1 2.84Å; H148-H204 AromaticContact CE1-CG 3.22Å; H148-H204 AromaticContact CE1-ND1 3.02Å; H148-H204 PolarHBondContact CE1-ND1 3.27Å; H148-H204 AromaticContact CE1-NE2 3.62Å; H148-H204 AromaticContact CG-CD2 3.74Å; H148-H204 AromaticContact CG-CG 3.64Å; H148-H204 AromaticContact ND1-CD2 3.82Å; H148-H204 AromaticContact ND1-CG 3.3Å; H148-H204 VanDerWaalsContact ND1-CG 3.3Å; H148-H204 AromaticContact ND1-ND1 3.54Å; H148-H204 AromaticContact NE2-CD2 3.34Å; H148-H204 PolarHBondContact NE2-CD2 3.26Å; H148-H204 VanDerWaalsContact NE2-CD2 3.34Å; H148-H204 AromaticContact NE2-CE1 3.26Å; H148-H204 PolarHBondContact NE2-CE1 2.91Å; H148-H204 VanDerWaalsContact NE2-CE1 3.26Å; H148-H204 AromaticContact NE2-CG 3.52Å; H148-H204 AromaticContact NE2-ND1 3.47Å; H148-H204 PolarHBondContact NE2-ND1 3.03Å; H148-H204 AromaticContact NE2-NE2 3.19Å; H148-H204 PolarHBondContact NE2-NE2 2.83Å; H148-H204 VanDerWaalsContact NE2-NE2 3.19Å; D202-H204 VanDerWaalsContact C-N 3.3Å; D202-H204 PolarHBondContact O-N 2.83Å
205	S	95.4	Very high	94.7	Very high	92 Å²	92	77.1 Å²	77.1	64%	0.643	40%	0.396	S	S	*	.	H	α-helix	trans	-89.4	-24.1	-176.4	67.6	0	0	0	0	114	D202 V203	D202-S205 PolarHBondContact O-N 2.76Å; D202-S205 PolarHBondContact O-OG 2.76Å; V203-S205 PolarHBondContact O-N 2.79Å
206	K	95.7	Very high	94.8	Very high	131 Å²	131	77.3 Å²	77.3	57%	0.57	40%	0.398	S	S	*	.	H	α-helix	trans	-113.2	-17.7	-170.8	-64.8	-177.2	-171	164.7	0	114.5	V198 D202 V203	V198-K206 HydrophobicContact CG1-CB 4.35Å; V198-K206 HydrophobicContact CG1-CD 4.41Å; D202-K206 HydrophobicContact CB-CD 3.95Å; D202-K206 HydrophobicContact CB-CG 4.47Å; D202-K206 PolarHBondContact O-N 3.17Å; D202-K206 VanDerWaalsContact O-N 3.1Å; D202-K206 IonicContact OD2-NZ 2.69Å; D202-K206 PolarHBondContact OD2-NZ 2.04Å; V203-K206 PolarHBondContact O-N 2.86Å
207	C	96.7	Very high	95	Very high	14 Å²	14	72.8 Å²	72.8	10%	0.095	38%	0.378	C	S	.	.			trans	-115.5	140.9	-168.5	-61.8	0	0	0	0	112.9	V165 C193 V203	V165-C207 HydrophobicContact CG1-CB 3.83Å; C193-C207 HydrophobicContact CB-CB 3.88Å; C193-C207 WeakPolarHBondContact CB-SG 3.43Å; C193-C207 WeakPolarHBondContact SG-CA 3.43Å; C193-C207 WeakPolarHBondContact SG-CB 3.47Å; C193-C207 CovalentContact SG-SG 2.03Å; C193-C207 PolarHBondContact SG-SG 3.34Å; V203-C207 HydrophobicContact CG1-CB 3.99Å; V203-C207 VanDerWaalsContact O-CB 3.23Å; V203-C207 WeakPolarHBondContact O-CB 3.44Å; V203-C207 PolarHBondContact O-N 2.89Å
208	Q	94	Very high	95.2	Very high	149 Å²	149	67.4 Å²	67.4	70%	0.696	35%	0.35	S	S	*	.			trans	-111.8	152.7	174.3	-63	177.3	5.4	0	0	109.8	S191 K192	S191-Q208 CarbonylContact C-O 3.46Å; S191-Q208 VanDerWaalsContact CA-O 3.23Å; S191-Q208 WeakPolarHBondContact CA-O 3.39Å; S191-Q208 VanDerWaalsContact CB-O 3.28Å; S191-Q208 WeakPolarHBondContact CB-O 3.25Å; K192-Q208 PolarHBondContact N-O 2.77Å
209	L	94.5	Very high	95.2	Very high	36 Å²	36	68.3 Å²	68.3	19%	0.188	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-52.6	143.2	170	-76.4	161.3	0	0	0	110.1	V165 I167 K192	V165-L209 HydrophobicContact CG2-CB 4.28Å; V165-L209 HydrophobicContact CG2-CD2 3.3Å; V165-L209 HydrophobicContact CG2-CG 3.49Å; V165-L209 VanDerWaalsContact CG2-CG 3.49Å; I167-L209 HydrophobicContact CD1-CD2 4.22Å; I167-L209 HydrophobicContact CG1-CD1 3.79Å; I167-L209 HydrophobicContact CG1-CD2 3.78Å; I167-L209 HydrophobicContact CG1-CG 4.37Å; I167-L209 HydrophobicContact CG2-CD1 4.48Å; K192-L209 WeakPolarHBondContact CE-O 3.35Å
210	N	93.8	Very high	95.3	Very high	34 Å²	34	62.2 Å²	62.2	18%	0.182	33%	0.329	C	S	.	.			trans	-71.1	-179.4	166.4	73.4	15.9	0	0	0	110.9	P190 K192 S212 R243	P190-N210 WeakPolarHBondContact CB-ND2 3.28Å; P190-N210 WeakPolarHBondContact CG-ND2 3.05Å; P190-N210 VanDerWaalsContact O-CG 3.22Å; P190-N210 PolarHBondContact O-N 2.99Å; P190-N210 PolarHBondContact O-OD1 2.68Å; K192-N210 HydrophobicContact CG-CB 3.86Å; N210-S212 VanDerWaalsContact C-N 3.26Å; N210-S212 PolarHBondContact O-N 3.1Å; N210-S212 WeakPolarHBondContact OD1-CB 3.38Å; N210-S212 PolarHBondContact OD1-N 3.03Å; N210-R243 PolarHBondContact O-NH1 2.63Å
211	D	91.5	Very high	95.4	Very high	133 Å²	133	64.4 Å²	64.4	71%	0.711	34%	0.335	S	S	*	.	S	Bend	trans	-90	7.9	-176.9	-50.4	-46.1	0	0	0	112.1	K192	K192-D211 WeakPolarHBondContact CE-OD1 3.25Å; K192-D211 WeakPolarHBondContact CE-OD2 3.45Å; K192-D211 VanDerWaalsContact NZ-CG 3.27Å; K192-D211 IonicContact NZ-OD1 2.68Å; K192-D211 PolarHBondContact NZ-OD1 2.78Å; K192-D211 IonicContact NZ-OD2 2.65Å; K192-D211 PolarHBondContact NZ-OD2 2.98Å
212	S	89.1	Confident	95.6	Very high	54 Å²	54	58.6 Å²	58.6	38%	0.378	31%	0.309	S	S	.	.			trans	-70.8	153.1	174.9	-170.3	0	0	0	0	111	N210 S214	N210-S212 VanDerWaalsContact C-N 3.26Å; N210-S212 PolarHBondContact O-N 3.1Å; N210-S212 WeakPolarHBondContact OD1-CB 3.38Å; N210-S212 PolarHBondContact OD1-N 3.03Å; S212-S214 VanDerWaalsContact C-N 3.27Å; S212-S214 WeakPolarHBondContact OG-CB 3.43Å; S212-S214 PolarHBondContact OG-N 2.65Å; S212-S214 VanDerWaalsContact OG-N 3.14Å
213	D	91.9	Very high	95.6	Very high	87 Å²	87	58.1 Å²	58.1	47%	0.465	30%	0.303	S	S	.	.			trans	-84.9	-1.1	168	-170	44.1	0	0	0	112.5	A215 T242 R243 Q244	D213-A215 PolarHBondContact O-N 2.96Å; D213-T242 CarbonylContact O-C 3.53Å; D213-T242 WeakPolarHBondContact O-CA 3.18Å; D213-T242 WeakPolarHBondContact OD2-CB 3.31Å; D213-R243 PolarHBondContact O-N 3.06Å; D213-R243 WeakPolarHBondContact OD1-CB 3.48Å; D213-R243 PolarHBondContact OD1-N 2.9Å; D213-R243 VanDerWaalsContact OD1-N 3.15Å; D213-Q244 PolarHBondContact OD1-N 3.03Å
214	S	94.4	Very high	95.6	Very high	66 Å²	66	59.1 Å²	59.1	46%	0.462	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	125.3	177.6	-178.9	0	0	0	0	111.2	P190 S212	P190-S214 VanDerWaalsContact CD-O 3.31Å; P190-S214 WeakPolarHBondContact CD-O 3.21Å; S212-S214 VanDerWaalsContact C-N 3.27Å; S212-S214 WeakPolarHBondContact OG-CB 3.43Å; S212-S214 PolarHBondContact OG-N 2.65Å; S212-S214 VanDerWaalsContact OG-N 3.14Å
215	A	97	Very high	95.5	Very high	2 Å²	2	55 Å²	55	2%	0.017	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	171.8	168.9	0	0	0	0	0	110.2	I167 I188 D213 A241 T242 A246	I167-A215 HydrophobicContact CD1-CB 3.69Å; I188-A215 CarbonylContact O-C 3.48Å; I188-A215 VanDerWaalsContact O-CA 3.25Å; I188-A215 WeakPolarHBondContact O-CA 3.39Å; I188-A215 WeakPolarHBondContact O-CB 3.35Å; D213-A215 PolarHBondContact O-N 2.96Å; A215-A241 CarbonylContact C-O 3.46Å; A215-A241 HydrophobicContact CB-CB 4.39Å; A215-A241 PolarHBondContact N-O 3.34Å; A215-A241 VanDerWaalsContact N-O 3.08Å; A215-A241 CarbonylContact O-C 3.58Å; A215-A241 PolarHBondContact O-N 2.87Å; A215-T242 VanDerWaalsContact CB-C 3.47Å; A215-A246 HydrophobicContact CB-CB 4.41Å
216	E	97.6	Very high	95.2	Very high	53 Å²	53	53.6 Å²	53.6	25%	0.248	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	136.9	170.9	-65.8	-175.8	114.3	0	0	110.1	R154 Y187 I188 C238 Q239	R154-E216 IonicContact CZ-OE2 2.77Å; R154-E216 VanDerWaalsContact CZ-OE2 3.25Å; R154-E216 IonicContact NH1-OE2 2.89Å; R154-E216 PolarHBondContact NH1-OE2 2.89Å; R154-E216 IonicContact NH2-OE2 2.87Å; R154-E216 PolarHBondContact NH2-OE2 2.77Å; Y187-E216 VanDerWaalsContact CA-O 3.24Å; Y187-E216 WeakPolarHBondContact CA-O 3.49Å; I188-E216 HydrophobicContact CG1-CB 4.14Å; I188-E216 PolarHBondContact N-O 3.47Å; I188-E216 PolarHBondContact O-N 3.29Å; E216-C238 HydrophobicContact CB-CB 4.08Å; E216-Q239 CarbonylContact C-O 3.55Å; E216-Q239 VanDerWaalsContact CA-O 3.25Å; E216-Q239 WeakPolarHBondContact CA-O 3.48Å
217	K	98	Very high	95	Very high	87 Å²	87	55.6 Å²	55.6	38%	0.378	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	119.2	169	-172.1	-179.6	-169.8	159.3	0	108.9	I185 Y187 C238 Q239 A241	I185-K217 HydrophobicContact CG2-CG 4.25Å; Y187-K217 HydrophobicContact CD1-CB 4.02Å; Y187-K217 HydrophobicContact CD1-CG 4.48Å; Y187-K217 HydrophobicContact CE1-CB 3.62Å; Y187-K217 HydrophobicContact CE1-CD 4.31Å; Y187-K217 HydrophobicContact CE1-CG 3.96Å; Y187-K217 HydrophobicContact CE2-CD 4.42Å; Y187-K217 HydrophobicContact CE2-CG 4.15Å; Y187-K217 WeakPolarHBondContact OH-CD 3.37Å; K217-C238 CarbonylContact O-C 3.43Å; K217-C238 WeakPolarHBondContact O-CA 3.35Å; K217-Q239 PolarHBondContact N-O 3.3Å; K217-Q239 PolarHBondContact O-N 3.18Å; K217-A241 HydrophobicContact CB-CB 4.35Å
218	C	98.1	Very high	94.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.2	-172	-63.2	0	0	0	0	112.4	I185 A186 I220 F236 S237 C238	I185-C218 WeakPolarHBondContact CA-O 3.49Å; A186-C218 PolarHBondContact N-O 3.19Å; A186-C218 WeakPolarHBondContact O-CB 3.4Å; A186-C218 PolarHBondContact O-N 2.83Å; C218-I220 HydrophobicContact CB-CG1 4.31Å; C218-F236 HydrophobicContact CB-CD1 4.4Å; C218-F236 HydrophobicContact CB-CE1 3.82Å; C218-S237 CarbonylContact C-O 3.45Å; C218-S237 VanDerWaalsContact CA-O 3.23Å; C218-S237 WeakPolarHBondContact CA-O 3.49Å; C218-C238 HydrophobicContact CB-CB 4.17Å; C218-C238 WeakPolarHBondContact CB-SG 3.25Å; C218-C238 WeakPolarHBondContact SG-CB 3.44Å; C218-C238 CovalentContact SG-SG 2.04Å; C218-C238 PolarHBondContact SG-SG 3.44Å
219	T	97.7	Very high	94.9	Very high	41 Å²	41	58.1 Å²	58.1	25%	0.252	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	118.4	162.8	-59.1	0	0	0	0	108.4	L184 I185 S237	L184-T219 WeakPolarHBondContact O-CA 3.45Å; I185-T219 HydrophobicContact CD1-CG2 3.98Å; I185-T219 WeakPolarHBondContact CD1-OG1 3.35Å; T219-S237 PolarHBondContact N-O 3.34Å; T219-S237 PolarHBondContact O-N 3.1Å; T219-S237 PolarHBondContact O-OG 3.22Å
220	I	98.2	Very high	95	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.015	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124	-177.6	-56.9	168.3	0	0	0	107.6	S150 K183 L184 A186 C218 E235 F236	S150-I220 WeakPolarHBondContact OG-CG2 3.38Å; K183-I220 CarbonylContact C-O 3.51Å; K183-I220 VanDerWaalsContact CA-O 3.27Å; K183-I220 WeakPolarHBondContact CA-O 3.49Å; L184-I220 HydrophobicContact CB-CB 4.26Å; L184-I220 PolarHBondContact N-O 3.3Å; L184-I220 PolarHBondContact O-N 2.97Å; A186-I220 HydrophobicContact CB-CD1 4.26Å; C218-I220 HydrophobicContact CB-CG1 4.31Å; I220-E235 WeakPolarHBondContact CA-O 3.07Å; I220-F236 HydrophobicContact CD1-CD2 4.47Å; I220-F236 HydrophobicContact CD1-CE1 4.25Å; I220-F236 HydrophobicContact CD1-CE2 3.78Å; I220-F236 HydrophobicContact CD1-CZ 3.65Å; I220-F236 HydrophobicContact CG1-CD1 4.24Å; I220-F236 HydrophobicContact CG1-CD2 4.08Å; I220-F236 HydrophobicContact CG1-CE1 4.03Å; I220-F236 HydrophobicContact CG1-CE2 3.87Å; I220-F236 HydrophobicContact CG1-CG 4.26Å; I220-F236 HydrophobicContact CG1-CZ 3.84Å; I220-F236 HydrophobicContact CG2-CD2 4.29Å; I220-F236 HydrophobicContact CG2-CE2 4.47Å
221	K	98	Very high	95.2	Very high	75 Å²	75	59.3 Å²	59.3	33%	0.326	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	122	169.3	-62.1	179	-172.3	151.3	0	109.6	Y182 K183 N234 E235	Y182-K221 CarbonylContact O-C 3.59Å; Y182-K221 VanDerWaalsContact O-CA 3.26Å; Y182-K221 WeakPolarHBondContact O-CA 3.31Å; K183-K221 HydrophobicContact CB-CG 4.37Å; K183-K221 HydrophobicContact CG-CG 4.3Å; K221-N234 PolarHBondContact O-N 3.32Å; K221-E235 HydrophobicContact CB-CB 3.9Å; K221-E235 HydrophobicContact CD-CB 4.21Å; K221-E235 WeakPolarHBondContact CD-OE2 3.44Å; K221-E235 VanDerWaalsContact CE-OE2 3.24Å; K221-E235 WeakPolarHBondContact CE-OE2 2.95Å; K221-E235 HydrophobicContact CG-CB 4.19Å; K221-E235 PolarHBondContact N-O 2.03Å; K221-E235 IonicContact NZ-OE2 3.17Å; K221-E235 PolarHBondContact NZ-OE2 2.97Å; K221-E235 PolarHBondContact O-N 3.03Å; K221-E235 VanDerWaalsContact O-N 3.11Å
222	A	98.3	Very high	95.5	Very high	2 Å²	2	58.8 Å²	58.8	2%	0.017	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	156.3	-179.6	0	0	0	0	0	111	V146 N181 Y182 F231 K232	V146-A222 HydrophobicContact CG1-CB 3.94Å; N181-A222 CarbonylContact C-O 3.52Å; N181-A222 WeakPolarHBondContact CA-O 2.9Å; Y182-A222 PolarHBondContact N-O 3.21Å; Y182-A222 PolarHBondContact O-N 3.29Å; A222-F231 HydrophobicContact CB-CE1 4.43Å; A222-F231 HydrophobicContact CB-CE2 4.07Å; A222-F231 HydrophobicContact CB-CZ 3.7Å; A222-K232 CarbonylContact C-O 3.55Å; A222-K232 WeakPolarHBondContact CA-O 3.49Å
223	Y	97.4	Very high	96	Very high	38 Å²	38	57.4 Å²	57.4	15%	0.149	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.8	170.6	168.6	-96.5	0	0	0	108.6	V177 S178 M180 N181 Q225 T230 F231 K232	V177-Y223 HydrophobicContact CG2-CD2 4.06Å; V177-Y223 HydrophobicContact CG2-CE2 3.7Å; S178-Y223 PolarHBondContact O-OH 2.83Å; M180-Y223 CarbonylContact O-C 3.58Å; M180-Y223 WeakPolarHBondContact O-CA 3.4Å; N181-Y223 WeakPolarHBondContact OD1-CD2 3.28Å; Y223-Q225 HydrophobicContact CE1-CB 3.8Å; Y223-Q225 VanDerWaalsContact OH-CD 3.31Å; Y223-Q225 PolarHBondContact OH-OE1 3.12Å; Y223-T230 HydrophobicContact CD1-CG2 4.44Å; Y223-T230 HydrophobicContact CE1-CG2 4.17Å; Y223-F231 CarbonylContact O-C 3.5Å; Y223-F231 WeakPolarHBondContact O-CA 3.42Å; Y223-K232 PolarHBondContact N-O 2.88Å; Y223-K232 PolarHBondContact O-N 2.92Å
224	D	96.2	Very high	96.2	Very high	26 Å²	26	58.2 Å²	58.2	14%	0.139	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134	176.9	-170.8	22.4	0	0	0	110.4	G179 M180 Y182 T230 F231	G179-D224 CarbonylContact C-O 3.49Å; G179-D224 WeakPolarHBondContact CA-O 3.45Å; M180-D224 PolarHBondContact N-O 3.4Å; M180-D224 PolarHBondContact O-N 2.99Å; Y182-D224 HydrophobicContact CD2-CB 4.43Å; Y182-D224 HydrophobicContact CE2-CB 3.62Å; D224-T230 CarbonylContact C-O 3.59Å; D224-T230 WeakPolarHBondContact CA-O 3.22Å; D224-F231 HydrophobicContact CB-CD2 3.96Å; D224-F231 HydrophobicContact CB-CE2 4.42Å
225	Q	93	Very high	96.3	Very high	31 Å²	31	58.2 Å²	58.2	15%	0.145	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	86.2	173.1	-170.1	179.9	11.4	0	0	107.8	S178 Y223 W227 T228 N229 T230	S178-Q225 VanDerWaalsContact O-CD 3.26Å; S178-Q225 PolarHBondContact O-NE2 2.56Å; S178-Q225 VanDerWaalsContact O-NE2 3.15Å; Y223-Q225 HydrophobicContact CE1-CB 3.8Å; Y223-Q225 VanDerWaalsContact OH-CD 3.31Å; Y223-Q225 PolarHBondContact OH-OE1 3.12Å; Q225-W227 VanDerWaalsContact C-N 3.28Å; Q225-W227 HydrophobicContact CG-CD2 3.74Å; Q225-W227 HydrophobicContact CG-CE3 4.09Å; Q225-W227 HydrophobicContact CG-CG 4.41Å; Q225-W227 HydrophobicContact CG-CH2 3.88Å; Q225-W227 HydrophobicContact CG-CZ2 3.47Å; Q225-W227 VanDerWaalsContact CG-CZ2 3.47Å; Q225-W227 HydrophobicContact CG-CZ3 4.15Å; Q225-W227 PolarHBondContact O-N 2.89Å; Q225-T228 WeakPolarHBondContact CB-OG1 3.29Å; Q225-T228 VanDerWaalsContact CD-OG1 3.3Å; Q225-T228 HydrophobicContact CG-CG2 4.21Å; Q225-T228 WeakPolarHBondContact CG-OG1 3.23Å; Q225-T228 PolarHBondContact O-N 2.69Å; Q225-T228 PolarHBondContact O-OG1 3.48Å; Q225-T228 VanDerWaalsContact O-OG1 3.11Å; Q225-T228 PolarHBondContact OE1-OG1 3.32Å; Q225-N229 PolarHBondContact O-N 3Å; Q225-N229 VanDerWaalsContact O-N 3.16Å; Q225-T230 PolarHBondContact N-O 3.3Å; Q225-T230 PolarHBondContact O-N 2.84Å
226	A	88.7	Confident	96.3	Very high	64 Å²	64	60.3 Å²	60.3	53%	0.529	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-55.9	-39.8	-171	0	0	0	0	0	113.2	T228 N229	A226-T228 PolarHBondContact O-N 2.78Å; A226-N229 PolarHBondContact O-N 3.45Å; A226-N229 PolarHBondContact O-OD1 3.01Å
227	W	91.4	Very high	96.3	Very high	172 Å²	172	60 Å²	60	65%	0.652	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-71.2	-11.6	-178.3	64.4	91.2	0	0	0	114.5	S178 Q225	S178-W227 WeakPolarHBondContact O-CZ2 3.15Å; Q225-W227 VanDerWaalsContact C-N 3.28Å; Q225-W227 HydrophobicContact CG-CD2 3.74Å; Q225-W227 HydrophobicContact CG-CE3 4.09Å; Q225-W227 HydrophobicContact CG-CG 4.41Å; Q225-W227 HydrophobicContact CG-CH2 3.88Å; Q225-W227 HydrophobicContact CG-CZ2 3.47Å; Q225-W227 VanDerWaalsContact CG-CZ2 3.47Å; Q225-W227 HydrophobicContact CG-CZ3 4.15Å; Q225-W227 PolarHBondContact O-N 2.89Å
228	T	94.7	Very high	96.3	Very high	63 Å²	63	57 Å²	57	39%	0.387	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-112.8	6.3	171.3	62.3	0	0	0	0	112.2	Q225 A226 T230	Q225-T228 WeakPolarHBondContact CB-OG1 3.29Å; Q225-T228 VanDerWaalsContact CD-OG1 3.3Å; Q225-T228 HydrophobicContact CG-CG2 4.21Å; Q225-T228 WeakPolarHBondContact CG-OG1 3.23Å; Q225-T228 PolarHBondContact O-N 2.69Å; Q225-T228 PolarHBondContact O-OG1 3.48Å; Q225-T228 VanDerWaalsContact O-OG1 3.11Å; Q225-T228 PolarHBondContact OE1-OG1 3.32Å; A226-T228 PolarHBondContact O-N 2.78Å; T228-T230 PolarHBondContact O-N 2.98Å; T228-T230 VanDerWaalsContact O-N 3.13Å; T228-T230 PolarHBondContact O-OG1 2.88Å; T228-T230 WeakPolarHBondContact OG1-CB 3.44Å; T228-T230 PolarHBondContact OG1-OG1 3.08Å; T228-T230 VanDerWaalsContact OG1-OG1 3.05Å
229	N	94	Very high	96.3	Very high	153 Å²	153	63.5 Å²	63.5	82%	0.818	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	32.1	-171.6	-64.2	-51.6	0	0	0	113.3	Q225 A226	Q225-N229 PolarHBondContact O-N 3Å; Q225-N229 VanDerWaalsContact O-N 3.16Å; A226-N229 PolarHBondContact O-N 3.45Å; A226-N229 PolarHBondContact O-OD1 3.01Å
230	T	96.7	Very high	96.2	Very high	40 Å²	40	66.9 Å²	66.9	25%	0.245	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	117.3	-178.2	-64.9	0	0	0	0	109.9	Y223 D224 Q225 T228 K232	Y223-T230 HydrophobicContact CD1-CG2 4.44Å; Y223-T230 HydrophobicContact CE1-CG2 4.17Å; D224-T230 CarbonylContact C-O 3.59Å; D224-T230 WeakPolarHBondContact CA-O 3.22Å; Q225-T230 PolarHBondContact N-O 3.3Å; Q225-T230 PolarHBondContact O-N 2.84Å; T228-T230 PolarHBondContact O-N 2.98Å; T228-T230 VanDerWaalsContact O-N 3.13Å; T228-T230 PolarHBondContact O-OG1 2.88Å; T228-T230 WeakPolarHBondContact OG1-CB 3.44Å; T228-T230 PolarHBondContact OG1-OG1 3.08Å; T228-T230 VanDerWaalsContact OG1-OG1 3.05Å; T230-K232 HydrophobicContact CG2-CD 4.34Å; T230-K232 HydrophobicContact CG2-CG 4.22Å
231	F	97.8	Very high	96.2	Very high	55 Å²	55	67.5 Å²	67.5	24%	0.241	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.9	170.4	-173.7	-92.3	0	0	0	109.9	V146 K149 A222 Y223 D224 V233	V146-F231 HydrophobicContact CG1-CE2 4.15Å; V146-F231 HydrophobicContact CG1-CZ 4.15Å; V146-F231 HydrophobicContact CG2-CE2 4.37Å; K149-F231 HydrophobicContact CB-CD1 4Å; K149-F231 HydrophobicContact CB-CE1 3.53Å; K149-F231 HydrophobicContact CB-CE2 4.14Å; K149-F231 HydrophobicContact CB-CG 4.48Å; K149-F231 HydrophobicContact CB-CZ 3.6Å; K149-F231 HydrophobicContact CD-CD1 4.48Å; K149-F231 HydrophobicContact CD-CD2 3.96Å; K149-F231 HydrophobicContact CD-CE2 4.08Å; K149-F231 HydrophobicContact CD-CG 4.16Å; K149-F231 HydrophobicContact CD-CZ 4.39Å; A222-F231 HydrophobicContact CB-CE1 4.43Å; A222-F231 HydrophobicContact CB-CE2 4.07Å; A222-F231 HydrophobicContact CB-CZ 3.7Å; Y223-F231 CarbonylContact O-C 3.5Å; Y223-F231 WeakPolarHBondContact O-CA 3.42Å; D224-F231 HydrophobicContact CB-CD2 3.96Å; D224-F231 HydrophobicContact CB-CE2 4.42Å; F231-V233 HydrophobicContact CE1-CG2 3.81Å
232	K	97.8	Very high	96.1	Very high	122 Å²	122	66.6 Å²	66.6	53%	0.53	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	128.5	-178.5	-65.7	-179.8	-178.7	176.2	0	110.4	A222 Y223 T230	A222-K232 CarbonylContact C-O 3.55Å; A222-K232 WeakPolarHBondContact CA-O 3.49Å; Y223-K232 PolarHBondContact N-O 2.88Å; Y223-K232 PolarHBondContact O-N 2.92Å; T230-K232 HydrophobicContact CG2-CD 4.34Å; T230-K232 HydrophobicContact CG2-CG 4.22Å
233	V	98.2	Very high	95.8	Very high	26 Å²	26	69.9 Å²	69.9	16%	0.158	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	110.2	166.3	-176.3	0	0	0	0	107.7	D153 F231 F236	D153-V233 HydrophobicContact CB-CG2 3.75Å; F231-V233 HydrophobicContact CE1-CG2 3.81Å; V233-F236 HydrophobicContact CG1-CB 4.05Å; V233-F236 HydrophobicContact CG1-CD2 4.19Å
234	N	97	Very high	95.6	Very high	103 Å²	103	73.6 Å²	73.6	55%	0.551	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	-32.8	-179.3	-60.9	-35.5	0	0	0	111.4	K221	K221-N234 PolarHBondContact O-N 3.32Å
235	E	97.1	Very high	95.5	Very high	66 Å²	66	76.1 Å²	76.1	31%	0.308	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	137.1	178.7	-166.4	-176	149.4	0	0	109.9	I220 K221 S237	I220-E235 WeakPolarHBondContact CA-O 3.07Å; K221-E235 HydrophobicContact CB-CB 3.9Å; K221-E235 HydrophobicContact CD-CB 4.21Å; K221-E235 WeakPolarHBondContact CD-OE2 3.44Å; K221-E235 VanDerWaalsContact CE-OE2 3.24Å; K221-E235 WeakPolarHBondContact CE-OE2 2.95Å; K221-E235 HydrophobicContact CG-CB 4.19Å; K221-E235 PolarHBondContact N-O 2.03Å; K221-E235 IonicContact NZ-OE2 3.17Å; K221-E235 PolarHBondContact NZ-OE2 2.97Å; K221-E235 PolarHBondContact O-N 3.03Å; K221-E235 VanDerWaalsContact O-N 3.11Å; E235-S237 PolarHBondContact OE1-OG 3.15Å
236	F	97.6	Very high	95.5	Very high	46 Å²	46	74.7 Å²	74.7	20%	0.202	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	86.3	169.2	-155.7	-51.2	0	0	0	107.7	S150 L151 R154 I188 C218 I220 V233 C238	S150-F236 WeakPolarHBondContact O-CE2 3.49Å; L151-F236 HydrophobicContact CD1-CE2 4.49Å; L151-F236 HydrophobicContact CD1-CZ 4.03Å; R154-F236 HydrophobicContact CB-CD2 3.78Å; R154-F236 HydrophobicContact CB-CE2 3.74Å; R154-F236 HydrophobicContact CB-CG 4.25Å; R154-F236 HydrophobicContact CB-CZ 4.17Å; R154-F236 VanDerWaalsContact CD-CZ 3.47Å; R154-F236 HydrophobicContact CG-CD2 4.5Å; R154-F236 HydrophobicContact CG-CE1 4.46Å; R154-F236 HydrophobicContact CG-CE2 4.44Å; R154-F236 HydrophobicContact CG-CZ 4.42Å; I188-F236 HydrophobicContact CD1-CE1 4.26Å; I188-F236 HydrophobicContact CD1-CZ 4.41Å; C218-F236 HydrophobicContact CB-CD1 4.4Å; C218-F236 HydrophobicContact CB-CE1 3.82Å; I220-F236 HydrophobicContact CD1-CD2 4.47Å; I220-F236 HydrophobicContact CD1-CE1 4.25Å; I220-F236 HydrophobicContact CD1-CE2 3.78Å; I220-F236 HydrophobicContact CD1-CZ 3.65Å; I220-F236 HydrophobicContact CG1-CD1 4.24Å; I220-F236 HydrophobicContact CG1-CD2 4.08Å; I220-F236 HydrophobicContact CG1-CE1 4.03Å; I220-F236 HydrophobicContact CG1-CE2 3.87Å; I220-F236 HydrophobicContact CG1-CG 4.26Å; I220-F236 HydrophobicContact CG1-CZ 3.84Å; I220-F236 HydrophobicContact CG2-CD2 4.29Å; I220-F236 HydrophobicContact CG2-CE2 4.47Å; V233-F236 HydrophobicContact CG1-CB 4.05Å; V233-F236 HydrophobicContact CG1-CD2 4.19Å; F236-C238 VanDerWaalsContact CE1-SG 3.51Å
237	S	97.2	Very high	95.6	Very high	46 Å²	46	76.7 Å²	76.7	32%	0.322	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	135.6	-176.2	57.2	0	0	0	0	110	C218 T219 E235	C218-S237 CarbonylContact C-O 3.45Å; C218-S237 VanDerWaalsContact CA-O 3.23Å; C218-S237 WeakPolarHBondContact CA-O 3.49Å; T219-S237 PolarHBondContact N-O 3.34Å; T219-S237 PolarHBondContact O-N 3.1Å; T219-S237 PolarHBondContact O-OG 3.22Å; E235-S237 PolarHBondContact OE1-OG 3.15Å
238	C	97.6	Very high	95.5	Very high	26 Å²	26	75.5 Å²	75.5	18%	0.176	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	151.9	-173.5	-59.4	0	0	0	0	112.3	R154 E216 K217 C218 F236	R154-C238 PolarHBondContact NH1-SG 3.16Å; E216-C238 HydrophobicContact CB-CB 4.08Å; K217-C238 CarbonylContact O-C 3.43Å; K217-C238 WeakPolarHBondContact O-CA 3.35Å; C218-C238 HydrophobicContact CB-CB 4.17Å; C218-C238 WeakPolarHBondContact CB-SG 3.25Å; C218-C238 WeakPolarHBondContact SG-CB 3.44Å; C218-C238 CovalentContact SG-SG 2.04Å; C218-C238 PolarHBondContact SG-SG 3.44Å; F236-C238 VanDerWaalsContact CE1-SG 3.51Å
239	Q	96.8	Very high	94.9	Very high	135 Å²	135	75 Å²	75	63%	0.631	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	144.9	172.1	-61.2	-59.2	-43.6	0	0	109.1	E216 K217 A241	E216-Q239 CarbonylContact C-O 3.55Å; E216-Q239 VanDerWaalsContact CA-O 3.25Å; E216-Q239 WeakPolarHBondContact CA-O 3.48Å; K217-Q239 PolarHBondContact N-O 3.3Å; K217-Q239 PolarHBondContact O-N 3.18Å; Q239-A241 PolarHBondContact O-N 3.33Å
240	P	97.4	Very high	94.9	Very high	113 Å²	113	71.1 Å²	71.1	73%	0.734	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55	138.4	173.6	-24.4	34.1	0	0	0	111.7
241	A	96.9	Very high	94.9	Very high	16 Å²	16	72.7 Å²	72.7	13%	0.132	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	178.2	175.5	0	0	0	0	0	110	Y187 A215 K217 Q239	Y187-A241 HydrophobicContact CD1-CB 4.03Å; Y187-A241 HydrophobicContact CE1-CB 3.73Å; A215-A241 CarbonylContact C-O 3.46Å; A215-A241 HydrophobicContact CB-CB 4.39Å; A215-A241 PolarHBondContact N-O 3.34Å; A215-A241 VanDerWaalsContact N-O 3.08Å; A215-A241 CarbonylContact O-C 3.58Å; A215-A241 PolarHBondContact O-N 2.87Å; K217-A241 HydrophobicContact CB-CB 4.35Å; Q239-A241 PolarHBondContact O-N 3.33Å
242	T	95.8	Very high	94.7	Very high	56 Å²	56	73.7 Å²	73.7	34%	0.344	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	156.5	172.1	66.7	0	0	0	0	111.8	D213 A215 Q244 E245 A246	D213-T242 CarbonylContact O-C 3.53Å; D213-T242 WeakPolarHBondContact O-CA 3.18Å; D213-T242 WeakPolarHBondContact OD2-CB 3.31Å; A215-T242 VanDerWaalsContact CB-C 3.47Å; T242-Q244 PolarHBondContact O-N 3.31Å; T242-E245 WeakPolarHBondContact O-CB 3.33Å; T242-E245 PolarHBondContact O-N 2.96Å; T242-E245 WeakPolarHBondContact OG1-CB 3.35Å; T242-E245 PolarHBondContact OG1-N 3.43Å; T242-E245 VanDerWaalsContact OG1-N 3.11Å; T242-A246 PolarHBondContact O-N 3.25Å
243	R	93.4	Very high	94.5	Very high	71 Å²	71	70.8 Å²	70.8	27%	0.268	38%	0.377	S	S	.	.	H	α-helix	trans	-63.4	-36.9	175.1	-176.2	-178.2	-175.3	159.7	3.1	110.5	N210 D213 A246 L247	N210-R243 PolarHBondContact O-NH1 2.63Å; D213-R243 PolarHBondContact O-N 3.06Å; D213-R243 WeakPolarHBondContact OD1-CB 3.48Å; D213-R243 PolarHBondContact OD1-N 2.9Å; D213-R243 VanDerWaalsContact OD1-N 3.15Å; R243-A246 WeakPolarHBondContact O-CB 3.44Å; R243-A246 PolarHBondContact O-N 3.11Å; R243-L247 HydrophobicContact CG-CD1 4.14Å; R243-L247 HydrophobicContact CG-CG 4.47Å; R243-L247 VanDerWaalsContact O-CG 3.29Å; R243-L247 WeakPolarHBondContact O-CG 3.45Å; R243-L247 PolarHBondContact O-N 2.81Å
244	Q	93.3	Very high	94.3	Very high	116 Å²	116	73.6 Å²	73.6	54%	0.542	39%	0.391	S	S	.	.	H	α-helix	trans	-59.9	-46.9	174	-176.6	177.6	-28.3	0	0	111.9	D213 T242 A246 L247 Q248	D213-Q244 PolarHBondContact OD1-N 3.03Å; T242-Q244 PolarHBondContact O-N 3.31Å; Q244-A246 VanDerWaalsContact C-N 3.33Å; Q244-A246 PolarHBondContact O-N 3.14Å; Q244-L247 PolarHBondContact O-N 3.15Å; Q244-Q248 WeakPolarHBondContact O-CG 3.36Å; Q244-Q248 PolarHBondContact O-N 2.87Å; Q244-Q248 VanDerWaalsContact O-N 3.16Å
245	E	93.4	Very high	94.1	Very high	79 Å²	79	71.7 Å²	71.7	37%	0.369	38%	0.38	S	S	.	.	H	α-helix	trans	-57.6	-47.4	175.2	-175.4	-166.7	145.5	0	0	110.9	Y187 T242 L247 Q248 A249	Y187-E245 HydrophobicContact CE1-CG 4.2Å; Y187-E245 WeakPolarHBondContact CE1-OE1 3.23Å; Y187-E245 PolarHBondContact OH-OE1 3.46Å; T242-E245 WeakPolarHBondContact O-CB 3.33Å; T242-E245 PolarHBondContact O-N 2.96Å; T242-E245 WeakPolarHBondContact OG1-CB 3.35Å; T242-E245 PolarHBondContact OG1-N 3.43Å; T242-E245 VanDerWaalsContact OG1-N 3.11Å; E245-L247 VanDerWaalsContact C-N 3.29Å; E245-L247 PolarHBondContact O-N 3.37Å; E245-Q248 PolarHBondContact O-N 2.89Å; E245-A249 WeakPolarHBondContact O-CB 3.43Å; E245-A249 PolarHBondContact O-N 3.49Å
246	A	92.4	Very high	93.9	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-59.2	-36.9	-179.6	0	0	0	0	0	113.7	I167 K168 Y187 A215 T242 R243 Q244	I167-A246 HydrophobicContact CB-CB 4.36Å; I167-A246 HydrophobicContact CD1-CB 3.99Å; I167-A246 HydrophobicContact CG2-CB 3.83Å; K168-A246 WeakPolarHBondContact CD-O 3.33Å; Y187-A246 VanDerWaalsContact CB-CB 3.46Å; Y187-A246 HydrophobicContact CD1-CB 3.47Å; Y187-A246 VanDerWaalsContact CD1-CB 3.47Å; Y187-A246 HydrophobicContact CD2-CB 4.25Å; Y187-A246 HydrophobicContact CE1-CB 4.23Å; Y187-A246 HydrophobicContact CG-CB 3.47Å; Y187-A246 VanDerWaalsContact CG-CB 3.47Å; A215-A246 HydrophobicContact CB-CB 4.41Å; T242-A246 PolarHBondContact O-N 3.25Å; R243-A246 WeakPolarHBondContact O-CB 3.44Å; R243-A246 PolarHBondContact O-N 3.11Å; Q244-A246 VanDerWaalsContact C-N 3.33Å; Q244-A246 PolarHBondContact O-N 3.14Å
247	L	90.2	Very high	93.6	Very high	106 Å²	106	74.1 Å²	74.1	56%	0.555	40%	0.399	S	S	*	.	H	α-helix	trans	-76.1	-30.8	179.8	-69.5	172.1	0	0	0	112.4	I167 R243 Q244 E245	I167-L247 HydrophobicContact CG2-CD2 4.21Å; R243-L247 HydrophobicContact CG-CD1 4.14Å; R243-L247 HydrophobicContact CG-CG 4.47Å; R243-L247 VanDerWaalsContact O-CG 3.29Å; R243-L247 WeakPolarHBondContact O-CG 3.45Å; R243-L247 PolarHBondContact O-N 2.81Å; Q244-L247 PolarHBondContact O-N 3.15Å; E245-L247 VanDerWaalsContact C-N 3.29Å; E245-L247 PolarHBondContact O-N 3.37Å
248	Q	89.6	Confident	93.3	Very high	147 Å²	147	76.4 Å²	76.4	69%	0.687	41%	0.406	S	S	*	.	H	α-helix	trans	-87.7	-18.5	-177.5	-69.4	-179.2	-21.4	0	0	114.2	Q244 E245	Q244-Q248 WeakPolarHBondContact O-CG 3.36Å; Q244-Q248 PolarHBondContact O-N 2.87Å; Q244-Q248 VanDerWaalsContact O-N 3.16Å; E245-Q248 PolarHBondContact O-N 2.89Å
249	A	82.9	Confident	92.9	Very high	52 Å²	52	81 Å²	81	43%	0.43	43%	0.426	S	S	.	.			trans	-66.3	0	-178.7	0	0	0	0	0	114.6	K168 V170 Y187 E245	K168-A249 VanDerWaalsContact CE-O 3.28Å; K168-A249 WeakPolarHBondContact CE-O 3.42Å; K168-A249 PolarHBondContact NZ-O 2.76Å; V170-A249 HydrophobicContact CG1-CB 3.7Å; Y187-A249 HydrophobicContact CD2-CB 4.41Å; Y187-A249 HydrophobicContact CE2-CB 3.66Å; E245-A249 WeakPolarHBondContact O-CB 3.43Å; E245-A249 PolarHBondContact O-N 3.49Å

Retrieved 249 of 249 residues in 46.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).