A103_SCHMA Loading...

Isoform 2 of Antigen 10-3 AlphaSync

Canonical isoform description:

AlphaFold DB , UniProt , Accession P13492-2 (canonical: P13492), Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 253 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	44.7	Very low	43.9	Very low	224 Å²	224	111 Å²	111	100%	1.103	58%	0.575	S	S	*	*				0	96	0	-155.9	159.8	108.6	0	0	105.9	I3	M1-I3 PolarHBondContact O-N 3.22Å
2	N	39.6	Very low	44.5	Very low	118 Å²	118	106.2 Å²	106.2	63%	0.631	55%	0.554	S	S	*	*			trans	-65.2	129	-164.2	-80.9	-3.7	0	0	0	110.6	Y4 L5	N2-Y4 HydrophobicContact CB-CD2 4.34Å; N2-Y4 PolarHBondContact O-N 2.82Å; N2-L5 PolarHBondContact O-N 3.26Å
3	I	42.2	Very low	44.2	Very low	134 Å²	134	101 Å²	101	69%	0.687	54%	0.542	S	S	*	.	H	α-helix	trans	-55.6	-18.6	-179.7	-143.6	144.2	0	0	0	112.7	M1 I6 G7	M1-I3 PolarHBondContact O-N 3.22Å; I3-I6 HydrophobicContact CG1-CG2 4.32Å; I3-I6 VanDerWaalsContact O-CG2 3.22Å; I3-I6 WeakPolarHBondContact O-CG2 3.37Å; I3-G7 PolarHBondContact O-N 3.02Å; I3-G7 VanDerWaalsContact O-N 3.1Å
4	Y	41.3	Very low	44	Very low	180 Å²	180	101.8 Å²	101.8	71%	0.706	55%	0.545	S	S	*	.	H	α-helix	trans	-65.5	-38.5	172.7	-63.5	-77	0	0	0	113.5	N2 G7 I8	N2-Y4 HydrophobicContact CB-CD2 4.34Å; N2-Y4 PolarHBondContact O-N 2.82Å; Y4-G7 PolarHBondContact O-N 3.28Å; Y4-I8 WeakPolarHBondContact O-CD1 3.22Å; Y4-I8 VanDerWaalsContact O-CG1 3.31Å; Y4-I8 WeakPolarHBondContact O-CG1 3.2Å; Y4-I8 PolarHBondContact O-N 3.44Å
5	L	41.8	Very low	43.9	Very low	80 Å²	80	101.3 Å²	101.3	42%	0.419	54%	0.541	S	S	.	.	H	α-helix	trans	-70.6	-39.4	-178.6	-155.3	81.8	0	0	0	111.4	N2 G7 I8 L9 M230	N2-L5 PolarHBondContact O-N 3.26Å; L5-G7 VanDerWaalsContact C-N 3.34Å; L5-I8 PolarHBondContact O-N 2.86Å; L5-L9 PolarHBondContact O-N 3.37Å; L5-M230 HydrophobicContact CD1-CE 4.44Å; L5-M230 HydrophobicContact CD1-SD 4.45Å
6	I	43.5	Very low	43.9	Very low	100 Å²	100	101 Å²	101	51%	0.513	54%	0.538	S	S	.	.	H	α-helix	trans	-68.5	-36.4	174.9	-158.6	75.6	0	0	0	110.7	I3 L9 C10	I3-I6 HydrophobicContact CG1-CG2 4.32Å; I3-I6 VanDerWaalsContact O-CG2 3.22Å; I3-I6 WeakPolarHBondContact O-CG2 3.37Å; I6-L9 PolarHBondContact O-N 2.8Å; I6-C10 WeakPolarHBondContact O-CB 3.43Å; I6-C10 PolarHBondContact O-N 2.92Å; I6-C10 PolarHBondContact O-SG 3.46Å; I6-C10 VanDerWaalsContact O-SG 3.39Å
7	G	35.9	Very low	43.8	Very low	29 Å²	29	100.6 Å²	100.6	30%	0.299	55%	0.545	S	S	.	.	H	α-helix	trans	-61.5	-44.3	174.2	0	0	0	0	0	112.8	I3 Y4 L5 C10 I11	I3-G7 PolarHBondContact O-N 3.02Å; I3-G7 VanDerWaalsContact O-N 3.1Å; Y4-G7 PolarHBondContact O-N 3.28Å; L5-G7 VanDerWaalsContact C-N 3.34Å; G7-C10 PolarHBondContact O-N 3.17Å; G7-I11 WeakPolarHBondContact O-CG1 3.37Å; G7-I11 PolarHBondContact O-N 2.9Å
8	I	50.4	Low	43.5	Very low	69 Å²	69	102.7 Å²	102.7	35%	0.354	55%	0.551	S	S	.	*	H	α-helix	trans	-64.8	-44	176.6	-68.9	161.3	0	0	0	110.8	Y4 L5 C10 I11 V12 F226	Y4-I8 WeakPolarHBondContact O-CD1 3.22Å; Y4-I8 VanDerWaalsContact O-CG1 3.31Å; Y4-I8 WeakPolarHBondContact O-CG1 3.2Å; Y4-I8 PolarHBondContact O-N 3.44Å; L5-I8 PolarHBondContact O-N 2.86Å; I8-C10 VanDerWaalsContact C-N 3.31Å; I8-C10 PolarHBondContact O-N 2.73Å; I8-I11 PolarHBondContact O-N 3.44Å; I8-V12 WeakPolarHBondContact O-CG2 3.33Å; I8-V12 PolarHBondContact O-N 3.31Å; I8-F226 HydrophobicContact CG2-CE2 4.28Å
9	L	49.9	Very low	43.3	Very low	101 Å²	101	100.9 Å²	100.9	53%	0.529	56%	0.56	S	S	.	*	H	α-helix	trans	-60.2	-41.1	174.6	-104.8	101.1	0	0	0	112	L5 I6 V12 G13	L5-L9 PolarHBondContact O-N 3.37Å; I6-L9 PolarHBondContact O-N 2.8Å; L9-V12 PolarHBondContact O-N 2.68Å; L9-G13 PolarHBondContact O-N 3.34Å
10	C	43.6	Very low	42.9	Very low	79 Å²	79	101.3 Å²	101.3	53%	0.534	57%	0.569	S	S	.	*	H	α-helix	trans	-62.8	-41.8	176.2	-78.1	0	0	0	0	112.2	I6 G7 I8 G13 L14	I6-C10 WeakPolarHBondContact O-CB 3.43Å; I6-C10 PolarHBondContact O-N 2.92Å; I6-C10 PolarHBondContact O-SG 3.46Å; I6-C10 VanDerWaalsContact O-SG 3.39Å; G7-C10 PolarHBondContact O-N 3.17Å; I8-C10 VanDerWaalsContact C-N 3.31Å; I8-C10 PolarHBondContact O-N 2.73Å; C10-G13 PolarHBondContact O-N 3.02Å; C10-L14 WeakPolarHBondContact O-CB 3.5Å; C10-L14 PolarHBondContact O-N 2.91Å
11	I	49.9	Very low	42.4	Very low	107 Å²	107	101.8 Å²	101.8	55%	0.549	58%	0.575	S	S	.	*	H	α-helix	trans	-65.1	-43.3	177.7	-67.3	164.6	0	0	0	110.5	G7 I8 G13 L14 I15	G7-I11 WeakPolarHBondContact O-CG1 3.37Å; G7-I11 PolarHBondContact O-N 2.9Å; I8-I11 PolarHBondContact O-N 3.44Å; I11-G13 VanDerWaalsContact C-N 3.34Å; I11-G13 PolarHBondContact O-N 3.22Å; I11-L14 PolarHBondContact O-N 2.94Å; I11-I15 HydrophobicContact CG2-CD1 3.87Å; I11-I15 HydrophobicContact CG2-CG1 4.5Å; I11-I15 VanDerWaalsContact O-CG1 3.32Å; I11-I15 WeakPolarHBondContact O-CG1 3.46Å; I11-I15 PolarHBondContact O-N 2.96Å
12	V	50.9	Low	41.8	Very low	53 Å²	53	96 Å²	96	32%	0.321	56%	0.562	S	S	.	*	H	α-helix	trans	-61.5	-43.6	175.6	174.9	0	0	0	0	110.6	I8 L9 L14 I15 I16	I8-V12 WeakPolarHBondContact O-CG2 3.33Å; I8-V12 PolarHBondContact O-N 3.31Å; L9-V12 PolarHBondContact O-N 2.68Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 2.77Å; V12-I15 PolarHBondContact O-N 3.25Å; V12-I16 HydrophobicContact CG1-CD1 3.97Å; V12-I16 VanDerWaalsContact O-CG1 3.28Å; V12-I16 WeakPolarHBondContact O-CG1 3.23Å; V12-I16 PolarHBondContact O-N 2.99Å
13	G	40.3	Very low	41.4	Very low	39 Å²	39	98.2 Å²	98.2	40%	0.402	57%	0.574	S	S	.	*	H	α-helix	trans	-61.2	-39.2	173.9	0	0	0	0	0	113.4	L9 C10 I11 I16 S17	L9-G13 PolarHBondContact O-N 3.34Å; C10-G13 PolarHBondContact O-N 3.02Å; I11-G13 VanDerWaalsContact C-N 3.34Å; I11-G13 PolarHBondContact O-N 3.22Å; G13-I16 PolarHBondContact O-N 3.44Å; G13-S17 PolarHBondContact O-N 3.04Å; G13-S17 VanDerWaalsContact O-N 3.1Å
14	L	41.8	Very low	40.8	Very low	112 Å²	112	94.9 Å²	94.9	59%	0.586	57%	0.573	S	S	*	*	H	α-helix	trans	-65.7	-41.3	177.4	-135.4	100.9	0	0	0	111.8	C10 I11 V12 S17 Q18	C10-L14 WeakPolarHBondContact O-CB 3.5Å; C10-L14 PolarHBondContact O-N 2.91Å; I11-L14 PolarHBondContact O-N 2.94Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 2.77Å; L14-S17 WeakPolarHBondContact O-CB 2.93Å; L14-S17 PolarHBondContact O-N 3.39Å; L14-Q18 PolarHBondContact O-N 3.25Å
15	I	43.2	Very low	40.4	Very low	94 Å²	94	90.8 Å²	90.8	48%	0.482	57%	0.571	S	S	.	*	H	α-helix	trans	-67.5	-40.2	179.2	-67.5	167.4	0	0	0	110.7	I11 V12 S17 Q18 G19 M222	I11-I15 HydrophobicContact CG2-CD1 3.87Å; I11-I15 HydrophobicContact CG2-CG1 4.5Å; I11-I15 VanDerWaalsContact O-CG1 3.32Å; I11-I15 WeakPolarHBondContact O-CG1 3.46Å; I11-I15 PolarHBondContact O-N 2.96Å; V12-I15 PolarHBondContact O-N 3.25Å; I15-S17 VanDerWaalsContact C-N 3.26Å; I15-S17 PolarHBondContact O-N 2.8Å; I15-Q18 PolarHBondContact O-N 3.3Å; I15-G19 PolarHBondContact O-N 3Å; I15-G19 VanDerWaalsContact O-N 3.12Å; I15-M222 HydrophobicContact CG2-SD 4.16Å
16	I	43.9	Very low	40.4	Very low	97 Å²	97	93.1 Å²	93.1	50%	0.497	59%	0.591	S	S	.	*	H	α-helix	trans	-60.7	-39	174	-66.1	164.4	0	0	0	110.5	V12 G13 M222	V12-I16 HydrophobicContact CG1-CD1 3.97Å; V12-I16 VanDerWaalsContact O-CG1 3.28Å; V12-I16 WeakPolarHBondContact O-CG1 3.23Å; V12-I16 PolarHBondContact O-N 2.99Å; G13-I16 PolarHBondContact O-N 3.44Å; I16-M222 HydrophobicContact CG1-CE 4.24Å
17	S	41.7	Very low	40	Very low	94 Å²	94	93.1 Å²	93.1	66%	0.657	59%	0.592	S	S	*	*	H	α-helix	trans	-69	-37.6	178.9	-164.8	0	0	0	0	112.9	G13 L14 I15	G13-S17 PolarHBondContact O-N 3.04Å; G13-S17 VanDerWaalsContact O-N 3.1Å; L14-S17 WeakPolarHBondContact O-CB 2.93Å; L14-S17 PolarHBondContact O-N 3.39Å; I15-S17 VanDerWaalsContact C-N 3.26Å; I15-S17 PolarHBondContact O-N 2.8Å
18	Q	38.3	Very low	40	Very low	138 Å²	138	96 Å²	96	65%	0.645	60%	0.6	S	S	*	*	H	α-helix	trans	-79.3	-20.2	-179.6	-67.4	-162.6	3.4	0	0	114.4	L14 I15 S20 T21	L14-Q18 PolarHBondContact O-N 3.25Å; I15-Q18 PolarHBondContact O-N 3.3Å; Q18-S20 PolarHBondContact O-N 3.12Å; Q18-T21 PolarHBondContact O-N 3.29Å
19	G	39.8	Very low	39.4	Very low	70 Å²	70	99.4 Å²	99.4	72%	0.722	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-5.4	179.5	0	0	0	0	0	115.7	I15	I15-G19 PolarHBondContact O-N 3Å; I15-G19 VanDerWaalsContact O-N 3.12Å
20	S	36.1	Very low	38.7	Very low	107 Å²	107	103.4 Å²	103.4	75%	0.748	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	4.7	-179.4	-69.8	0	0	0	0	115.4	Q18	Q18-S20 PolarHBondContact O-N 3.12Å
21	T	30.8	Very low	38.3	Very low	112 Å²	112	105.6 Å²	105.6	69%	0.687	63%	0.628	S	S	*	*			trans	-139.4	83.1	179.6	58.2	0	0	0	0	112.6	Q18	Q18-T21 PolarHBondContact O-N 3.29Å
22	A	32.9	Very low	37.6	Very low	102 Å²	102	105 Å²	105	84%	0.843	63%	0.626	S	S	*	*			trans	-147.9	104.5	159.5	0	0	0	0	0	109.6
23	N	31.9	Very low	36.9	Very low	165 Å²	165	108 Å²	108	88%	0.882	64%	0.64	S	S	*	*			trans	-70	146.1	-176.4	-64.7	-59.2	0	0	0	112.9
24	G	29.4	Very low	36.6	Very low	64 Å²	64	107.6 Å²	107.6	66%	0.66	63%	0.63	S	S	*	*			trans	81.6	84.6	136.5	0	0	0	0	0	117.4
25	S	32.4	Very low	36.1	Very low	94 Å²	94	106.6 Å²	106.6	66%	0.657	63%	0.625	S	S	*	*			trans	-167.2	149.4	149	-86.7	0	0	0	0	110.3	L27	S25-L27 PolarHBondContact O-N 3.46Å
26	P	41.7	Very low	35.6	Very low	130 Å²	130	106.6 Å²	106.6	84%	0.844	63%	0.629	S	S	*	*	S	Bend	trans	-75.6	36.5	-159.4	31.6	-36.7	0	0	0	115.6
27	L	35.9	Very low	35.2	Very low	100 Å²	100	107.6 Å²	107.6	52%	0.524	63%	0.634	S	S	.	*			trans	-83.9	7.4	157.4	-82.1	166.3	0	0	0	112.2	S25 D29 R30 F31	S25-L27 PolarHBondContact O-N 3.46Å; L27-D29 VanDerWaalsContact C-N 3.27Å; L27-D29 PolarHBondContact O-N 3.06Å; L27-R30 PolarHBondContact O-N 3.14Å; L27-R30 VanDerWaalsContact O-N 3.17Å; L27-F31 PolarHBondContact O-N 3.27Å
28	D	35.6	Very low	34.8	Very low	90 Å²	90	104.5 Å²	104.5	48%	0.481	61%	0.611	S	S	.	*	H	α-helix	trans	-56.8	-31.4	-176.9	-78.8	-41.1	0	0	0	114.1	F31 N32	D28-F31 PolarHBondContact O-N 2.87Å; D28-N32 WeakPolarHBondContact O-CB 3.48Å; D28-N32 PolarHBondContact O-N 3.09Å
29	D	37.4	Very low	34.5	Very low	140 Å²	140	106.4 Å²	106.4	75%	0.749	62%	0.617	S	S	*	*	H	α-helix	trans	-70.3	-39.2	178.8	-75.9	-16.6	0	0	0	112.1	L27 D33	L27-D29 VanDerWaalsContact C-N 3.27Å; L27-D29 PolarHBondContact O-N 3.06Å; D29-D33 PolarHBondContact O-N 3.35Å
30	R	35	Very low	34.6	Very low	185 Å²	185	112.1 Å²	112.1	70%	0.698	62%	0.621	S	S	*	*	H	α-helix	trans	-76.2	-30.6	173	-74.1	-159.3	-72.2	-141.5	-1.8	111.8	L27 V34	L27-R30 PolarHBondContact O-N 3.14Å; L27-R30 VanDerWaalsContact O-N 3.17Å; R30-V34 WeakPolarHBondContact O-CB 3.37Å; R30-V34 VanDerWaalsContact O-CG2 3.22Å; R30-V34 WeakPolarHBondContact O-CG2 3.43Å; R30-V34 PolarHBondContact O-N 3.11Å
31	F	34.9	Very low	34.7	Very low	124 Å²	124	113.8 Å²	113.8	54%	0.544	62%	0.618	S	S	.	*	H	α-helix	trans	-70	-34.9	175.3	-114.6	-85.5	0	0	0	111.9	L27 D28 V34 N35	L27-F31 PolarHBondContact O-N 3.27Å; D28-F31 PolarHBondContact O-N 2.87Å; F31-V34 CarbonylContact O-C 3.51Å; F31-V34 PolarHBondContact O-N 3.01Å; F31-N35 WeakPolarHBondContact O-CB 3.38Å; F31-N35 PolarHBondContact O-N 3.15Å
32	N	35.3	Very low	35.4	Very low	95 Å²	95	112.5 Å²	112.5	51%	0.508	60%	0.603	S	S	.	*	H	α-helix	trans	-67.3	-36.7	175.7	-86.9	-26.1	0	0	0	112.9	D28 N35 T36	D28-N32 WeakPolarHBondContact O-CB 3.48Å; D28-N32 PolarHBondContact O-N 3.09Å; N32-N35 PolarHBondContact O-N 2.89Å; N32-T36 WeakPolarHBondContact O-CB 3.36Å; N32-T36 PolarHBondContact O-N 3.48Å; N32-T36 PolarHBondContact O-OG1 3.12Å
33	D	35.8	Very low	36.1	Very low	117 Å²	117	110.8 Å²	110.8	63%	0.626	58%	0.582	S	S	*	*	H	α-helix	trans	-66.3	-43.1	171.1	-94.9	-8	0	0	0	111.3	D29 N35 T36 I37	D29-D33 PolarHBondContact O-N 3.35Å; D33-N35 VanDerWaalsContact C-N 3.3Å; D33-N35 PolarHBondContact O-N 3.25Å; D33-T36 PolarHBondContact O-N 2.96Å; D33-I37 WeakPolarHBondContact O-CG1 3.26Å; D33-I37 PolarHBondContact O-N 3.32Å
34	V	34.9	Very low	36.7	Very low	30 Å²	30	110.6 Å²	110.6	18%	0.182	58%	0.576	C	S	.	*	H	α-helix	trans	-64.9	-35.7	174.3	175	0	0	0	0	111.1	R30 F31 T36 I37 N38	R30-V34 WeakPolarHBondContact O-CB 3.37Å; R30-V34 VanDerWaalsContact O-CG2 3.22Å; R30-V34 WeakPolarHBondContact O-CG2 3.43Å; R30-V34 PolarHBondContact O-N 3.11Å; F31-V34 CarbonylContact O-C 3.51Å; F31-V34 PolarHBondContact O-N 3.01Å; V34-T36 VanDerWaalsContact C-N 3.34Å; V34-I37 CarbonylContact O-C 3.36Å; V34-I37 PolarHBondContact O-N 3.03Å; V34-N38 WeakPolarHBondContact O-CB 3.46Å; V34-N38 PolarHBondContact O-N 3.06Å
35	N	31.4	Very low	37.7	Very low	91 Å²	91	114.7 Å²	114.7	49%	0.487	58%	0.577	S	S	.	*	H	α-helix	trans	-71.7	-32.3	177.9	-142.4	16.5	0	0	0	111	F31 N32 D33 N38 K39	F31-N35 WeakPolarHBondContact O-CB 3.38Å; F31-N35 PolarHBondContact O-N 3.15Å; N32-N35 PolarHBondContact O-N 2.89Å; D33-N35 VanDerWaalsContact C-N 3.3Å; D33-N35 PolarHBondContact O-N 3.25Å; N35-N38 CarbonylContact O-C 3.56Å; N35-N38 PolarHBondContact O-N 3.01Å; N35-K39 PolarHBondContact O-N 3.38Å
36	T	32.3	Very low	38.5	Very low	93 Å²	93	114.4 Å²	114.4	57%	0.571	57%	0.566	S	S	*	*	H	α-helix	trans	-67.8	-37.2	171.5	-57.4	0	0	0	0	111.1	N32 D33 V34	N32-T36 WeakPolarHBondContact O-CB 3.36Å; N32-T36 PolarHBondContact O-N 3.48Å; N32-T36 PolarHBondContact O-OG1 3.12Å; D33-T36 PolarHBondContact O-N 2.96Å; V34-T36 VanDerWaalsContact C-N 3.34Å
37	I	36.1	Very low	38.9	Very low	119 Å²	119	111.6 Å²	111.6	61%	0.61	54%	0.54	S	S	*	.	H	α-helix	trans	-70.1	-36.3	172	-64.1	167.5	0	0	0	110.9	D33 V34 K39 K40	D33-I37 WeakPolarHBondContact O-CG1 3.26Å; D33-I37 PolarHBondContact O-N 3.32Å; V34-I37 CarbonylContact O-C 3.36Å; V34-I37 PolarHBondContact O-N 3.03Å; I37-K39 VanDerWaalsContact C-N 3.33Å; I37-K39 PolarHBondContact O-N 2.87Å; I37-K40 PolarHBondContact O-N 3.49Å
38	N	33.9	Very low	39.4	Very low	29 Å²	29	109.2 Å²	109.2	16%	0.155	53%	0.532	C	S	.	.	H	α-helix	trans	-77.5	-9.5	177.5	-107.2	-31.9	0	0	0	114.6	V34 N35 K40 Q41	V34-N38 WeakPolarHBondContact O-CB 3.46Å; V34-N38 PolarHBondContact O-N 3.06Å; N35-N38 CarbonylContact O-C 3.56Å; N35-N38 PolarHBondContact O-N 3.01Å; N38-K40 CarbonylContact O-C 3.24Å; N38-K40 PolarHBondContact O-N 3.46Å; N38-Q41 VanDerWaalsContact O-CA 3.23Å; N38-Q41 WeakPolarHBondContact O-CA 3.35Å; N38-Q41 PolarHBondContact O-N 2.91Å
39	K	31.2	Very low	40.6	Very low	178 Å²	178	113.9 Å²	113.9	77%	0.774	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.1	169.2	-87.1	-174.7	-179	179.5	0	112.7	N35 I37 Q41	N35-K39 PolarHBondContact O-N 3.38Å; I37-K39 VanDerWaalsContact C-N 3.33Å; I37-K39 PolarHBondContact O-N 2.87Å; K39-Q41 PolarHBondContact O-N 3.42Å
40	K	40.8	Very low	41.4	Very low	189 Å²	189	110.5 Å²	110.5	82%	0.822	53%	0.525	S	S	*	.	S	Bend	trans	-76.6	59	155	-66.1	-172	-179.5	-177.8	0	108.4	I37 N38 F42	I37-K40 PolarHBondContact O-N 3.49Å; N38-K40 CarbonylContact O-C 3.24Å; N38-K40 PolarHBondContact O-N 3.46Å; K40-F42 PolarHBondContact O-N 2.94Å
41	Q	39.6	Very low	42.2	Very low	143 Å²	143	103.9 Å²	103.9	67%	0.668	50%	0.502	S	S	*	.			trans	-63.9	107	179.8	-149.1	176.8	15	0	0	104.1	N38 K39 T43	N38-Q41 VanDerWaalsContact O-CA 3.23Å; N38-Q41 WeakPolarHBondContact O-CA 3.35Å; N38-Q41 PolarHBondContact O-N 2.91Å; K39-Q41 PolarHBondContact O-N 3.42Å; Q41-T43 WeakPolarHBondContact O-CG2 3.48Å; Q41-T43 PolarHBondContact O-N 2.84Å
42	F	45.1	Very low	43.4	Very low	85 Å²	85	102.9 Å²	102.9	37%	0.373	50%	0.503	S	S	.	.			trans	-54.9	107.1	176.4	-153.7	-109.2	0	0	0	105.8	K40 E46 F47 L50	K40-F42 PolarHBondContact O-N 2.94Å; F42-E46 HydrophobicContact CD1-CB 4.01Å; F42-E46 HydrophobicContact CD2-CB 4.15Å; F42-E46 WeakPolarHBondContact CD2-OE2 3.34Å; F42-E46 HydrophobicContact CE1-CB 3.92Å; F42-E46 HydrophobicContact CE2-CB 4.05Å; F42-E46 HydrophobicContact CG-CB 4.13Å; F42-E46 HydrophobicContact CZ-CB 3.93Å; F42-F47 HydrophobicContact CD1-CB 4.09Å; F42-F47 HydrophobicContact CE1-CB 4.2Å; F42-L50 HydrophobicContact CE1-CB 4.42Å; F42-L50 HydrophobicContact CE1-CD2 4.13Å; F42-L50 HydrophobicContact CZ-CB 4.38Å; F42-L50 HydrophobicContact CZ-CD2 3.99Å
43	T	47.5	Very low	44.6	Very low	66 Å²	66	101 Å²	101	41%	0.405	50%	0.497	S	S	.	.			trans	-68.9	154.8	-172.4	65.2	0	0	0	0	108.5	Q41 E45 E46 F47	Q41-T43 WeakPolarHBondContact O-CG2 3.48Å; Q41-T43 PolarHBondContact O-N 2.84Å; T43-E45 PolarHBondContact O-N 3.42Å; T43-E45 VanDerWaalsContact O-N 3.07Å; T43-E46 WeakPolarHBondContact O-CA 3.28Å; T43-E46 WeakPolarHBondContact O-CB 3.4Å; T43-E46 PolarHBondContact O-N 3.34Å; T43-E46 PolarHBondContact OG1-N 2.88Å; T43-F47 PolarHBondContact O-N 3.44Å
44	E	44.8	Very low	45.3	Very low	161 Å²	161	100 Å²	100	75%	0.752	49%	0.49	S	S	*	.	H	α-helix	trans	-54	-29.9	175.3	-173.5	179.9	174.9	0	0	111.7	F47 S48	E44-F47 PolarHBondContact O-N 3.22Å; E44-S48 VanDerWaalsContact O-CB 3.28Å; E44-S48 WeakPolarHBondContact O-CB 3.47Å; E44-S48 PolarHBondContact O-N 2.81Å; E44-S48 PolarHBondContact O-OG 3.07Å
45	E	49.3	Very low	46.1	Very low	149 Å²	149	103.4 Å²	103.4	70%	0.696	51%	0.506	S	S	*	.	H	α-helix	trans	-67.6	-43.9	172.9	-64.9	175.4	171.6	0	0	112.5	T43 F47 S48 R49	T43-E45 PolarHBondContact O-N 3.42Å; T43-E45 VanDerWaalsContact O-N 3.07Å; E45-F47 VanDerWaalsContact C-N 3.3Å; E45-F47 PolarHBondContact O-N 3.43Å; E45-S48 PolarHBondContact O-N 3.4Å; E45-R49 VanDerWaalsContact O-CB 3.31Å; E45-R49 WeakPolarHBondContact O-CB 3.31Å; E45-R49 VanDerWaalsContact O-CG 3.23Å; E45-R49 WeakPolarHBondContact O-CG 3.28Å; E45-R49 PolarHBondContact O-N 2.82Å
46	E	50.7	Low	47.3	Very low	88 Å²	88	105.9 Å²	105.9	41%	0.411	51%	0.513	S	S	.	.	H	α-helix	trans	-62.7	-40.2	173.6	-71.7	-166.3	136.2	0	0	111.2	F42 T43 R49 L50	F42-E46 HydrophobicContact CD1-CB 4.01Å; F42-E46 HydrophobicContact CD2-CB 4.15Å; F42-E46 WeakPolarHBondContact CD2-OE2 3.34Å; F42-E46 HydrophobicContact CE1-CB 3.92Å; F42-E46 HydrophobicContact CE2-CB 4.05Å; F42-E46 HydrophobicContact CG-CB 4.13Å; F42-E46 HydrophobicContact CZ-CB 3.93Å; T43-E46 WeakPolarHBondContact O-CA 3.28Å; T43-E46 WeakPolarHBondContact O-CB 3.4Å; T43-E46 PolarHBondContact O-N 3.34Å; T43-E46 PolarHBondContact OG1-N 2.88Å; E46-R49 PolarHBondContact O-N 2.85Å; E46-L50 WeakPolarHBondContact O-CB 3.43Å; E46-L50 PolarHBondContact O-N 3.29Å
47	F	49.2	Very low	48.4	Very low	71 Å²	71	108.4 Å²	108.4	31%	0.311	52%	0.516	S	S	.	.	H	α-helix	trans	-61.6	-51.7	173.8	-179.6	-106.4	0	0	0	112.1	F42 T43 E44 E45 R49 L50 I51 V223	F42-F47 HydrophobicContact CD1-CB 4.09Å; F42-F47 HydrophobicContact CE1-CB 4.2Å; T43-F47 PolarHBondContact O-N 3.44Å; E44-F47 PolarHBondContact O-N 3.22Å; E45-F47 VanDerWaalsContact C-N 3.3Å; E45-F47 PolarHBondContact O-N 3.43Å; F47-R49 VanDerWaalsContact C-N 3.29Å; F47-R49 PolarHBondContact O-N 3.33Å; F47-L50 PolarHBondContact O-N 3.45Å; F47-L50 VanDerWaalsContact O-N 3.14Å; F47-I51 HydrophobicContact CD1-CG1 4.41Å; F47-I51 HydrophobicContact CD2-CG1 4.17Å; F47-I51 HydrophobicContact CE1-CG1 3.99Å; F47-I51 HydrophobicContact CE2-CD1 3.89Å; F47-I51 HydrophobicContact CE2-CG1 3.69Å; F47-I51 HydrophobicContact CZ-CD1 4Å; F47-I51 HydrophobicContact CZ-CG1 3.61Å; F47-I51 WeakPolarHBondContact O-CG1 3.28Å; F47-I51 PolarHBondContact O-N 3.1Å; F47-V223 HydrophobicContact CD2-CG2 3.87Å; F47-V223 HydrophobicContact CE2-CG1 4.3Å; F47-V223 HydrophobicContact CE2-CG2 3.61Å
48	S	47.4	Very low	49	Very low	50 Å²	50	108 Å²	108	35%	0.35	51%	0.508	S	S	.	.	H	α-helix	trans	-60	-40.6	177.8	-65.4	0	0	0	0	111.4	E44 E45 N52	E44-S48 VanDerWaalsContact O-CB 3.28Å; E44-S48 WeakPolarHBondContact O-CB 3.47Å; E44-S48 PolarHBondContact O-N 2.81Å; E44-S48 PolarHBondContact O-OG 3.07Å; E45-S48 PolarHBondContact O-N 3.4Å; S48-N52 WeakPolarHBondContact O-CB 3.47Å; S48-N52 PolarHBondContact O-N 3.24Å; S48-N52 PolarHBondContact O-ND2 3.05Å
49	R	59.9	Low	49.7	Very low	189 Å²	189	110.8 Å²	110.8	71%	0.713	52%	0.522	S	S	*	.	H	α-helix	trans	-64.7	-43.3	175.1	-76.5	176.6	80.4	-161.1	5	111.8	E45 E46 F47 S53	E45-R49 VanDerWaalsContact O-CB 3.31Å; E45-R49 WeakPolarHBondContact O-CB 3.31Å; E45-R49 VanDerWaalsContact O-CG 3.23Å; E45-R49 WeakPolarHBondContact O-CG 3.28Å; E45-R49 PolarHBondContact O-N 2.82Å; E46-R49 PolarHBondContact O-N 2.85Å; F47-R49 VanDerWaalsContact C-N 3.29Å; F47-R49 PolarHBondContact O-N 3.33Å; R49-S53 VanDerWaalsContact O-CB 3.24Å; R49-S53 WeakPolarHBondContact O-CB 3.49Å; R49-S53 PolarHBondContact O-N 3.47Å; R49-S53 PolarHBondContact O-OG 3.35Å
50	L	55.5	Low	50.7	Low	69 Å²	69	107.4 Å²	107.4	36%	0.361	51%	0.509	S	S	.	.	H	α-helix	trans	-62.7	-52.4	179.4	-178.1	64.4	0	0	0	110.8	F42 E46 F47 N52 S53 M54	F42-L50 HydrophobicContact CE1-CB 4.42Å; F42-L50 HydrophobicContact CE1-CD2 4.13Å; F42-L50 HydrophobicContact CZ-CB 4.38Å; F42-L50 HydrophobicContact CZ-CD2 3.99Å; E46-L50 WeakPolarHBondContact O-CB 3.43Å; E46-L50 PolarHBondContact O-N 3.29Å; F47-L50 PolarHBondContact O-N 3.45Å; F47-L50 VanDerWaalsContact O-N 3.14Å; L50-N52 PolarHBondContact O-N 3.39Å; L50-S53 PolarHBondContact O-N 3.31Å; L50-S53 PolarHBondContact O-OG 3.49Å; L50-M54 VanDerWaalsContact O-CG 3.28Å; L50-M54 WeakPolarHBondContact O-CG 3.37Å; L50-M54 PolarHBondContact O-N 3.32Å
51	I	50.9	Low	51.1	Low	45 Å²	45	104 Å²	104	23%	0.231	50%	0.499	C	S	.	.	H	α-helix	trans	-60.4	-47.8	179.5	-64.1	-60.3	0	0	0	110.9	F47 S53 M54 L55	F47-I51 HydrophobicContact CD1-CG1 4.41Å; F47-I51 HydrophobicContact CD2-CG1 4.17Å; F47-I51 HydrophobicContact CE1-CG1 3.99Å; F47-I51 HydrophobicContact CE2-CD1 3.89Å; F47-I51 HydrophobicContact CE2-CG1 3.69Å; F47-I51 HydrophobicContact CZ-CD1 4Å; F47-I51 HydrophobicContact CZ-CG1 3.61Å; F47-I51 WeakPolarHBondContact O-CG1 3.28Å; F47-I51 PolarHBondContact O-N 3.1Å; I51-S53 VanDerWaalsContact C-N 3.32Å; I51-S53 PolarHBondContact O-N 2.79Å; I51-M54 PolarHBondContact O-N 3.03Å; I51-L55 WeakPolarHBondContact O-CB 3.42Å; I51-L55 PolarHBondContact O-N 3.13Å
52	N	59.6	Low	51.3	Low	103 Å²	103	103.8 Å²	103.8	55%	0.551	50%	0.496	S	S	*	.	H	α-helix	trans	-63.2	-37.5	178.3	-74.4	-35.8	0	0	0	112.3	S48 L50 K56	S48-N52 WeakPolarHBondContact O-CB 3.47Å; S48-N52 PolarHBondContact O-N 3.24Å; S48-N52 PolarHBondContact O-ND2 3.05Å; L50-N52 PolarHBondContact O-N 3.39Å; N52-K56 WeakPolarHBondContact O-CB 3.3Å; N52-K56 PolarHBondContact O-N 3.4Å
53	S	61.7	Low	51.2	Low	57 Å²	57	107.2 Å²	107.2	40%	0.399	51%	0.511	S	S	.	.	H	α-helix	trans	-66	-38.8	177.3	79.1	0	0	0	0	112.4	R49 L50 I51 K57	R49-S53 VanDerWaalsContact O-CB 3.24Å; R49-S53 WeakPolarHBondContact O-CB 3.49Å; R49-S53 PolarHBondContact O-N 3.47Å; R49-S53 PolarHBondContact O-OG 3.35Å; L50-S53 PolarHBondContact O-N 3.31Å; L50-S53 PolarHBondContact O-OG 3.49Å; I51-S53 VanDerWaalsContact C-N 3.32Å; I51-S53 PolarHBondContact O-N 2.79Å; S53-K57 WeakPolarHBondContact O-CG 3.22Å; S53-K57 PolarHBondContact O-N 2.89Å; S53-K57 VanDerWaalsContact O-N 3.09Å
54	M	50.2	Low	50.8	Low	96 Å²	96	110.6 Å²	110.6	47%	0.473	53%	0.526	S	S	.	.	H	α-helix	trans	-69.7	-47.1	178	-69.8	-110.4	-71.7	0	0	110.9	L50 I51 K56 K57 Y58	L50-M54 VanDerWaalsContact O-CG 3.28Å; L50-M54 WeakPolarHBondContact O-CG 3.37Å; L50-M54 PolarHBondContact O-N 3.32Å; I51-M54 PolarHBondContact O-N 3.03Å; M54-K56 VanDerWaalsContact C-N 3.34Å; M54-K56 PolarHBondContact O-N 3.08Å; M54-K57 PolarHBondContact O-N 3.35Å; M54-Y58 PolarHBondContact O-N 2.98Å
55	L	50.7	Low	50.2	Low	100 Å²	100	111.4 Å²	111.4	52%	0.524	53%	0.528	S	S	.	.	H	α-helix	trans	-62.7	-42.2	178.5	-162.2	75.5	0	0	0	111.2	I51 Y58 I59	I51-L55 WeakPolarHBondContact O-CB 3.42Å; I51-L55 PolarHBondContact O-N 3.13Å; L55-Y58 PolarHBondContact O-N 3.21Å; L55-I59 HydrophobicContact CG-CD1 4.21Å; L55-I59 WeakPolarHBondContact O-CG1 3.49Å; L55-I59 PolarHBondContact O-N 2.98Å
56	K	57.7	Low	49.1	Very low	143 Å²	143	112.2 Å²	112.2	62%	0.622	53%	0.531	S	S	*	.	H	α-helix	trans	-61.3	-47.2	175.9	-173.2	179.2	178.4	-171.8	0	111.8	N52 M54 Y58 I59 E60	N52-K56 WeakPolarHBondContact O-CB 3.3Å; N52-K56 PolarHBondContact O-N 3.4Å; M54-K56 VanDerWaalsContact C-N 3.34Å; M54-K56 PolarHBondContact O-N 3.08Å; K56-Y58 PolarHBondContact O-N 2.86Å; K56-I59 PolarHBondContact O-N 3.19Å; K56-E60 VanDerWaalsContact O-CB 3.29Å; K56-E60 WeakPolarHBondContact O-CB 3.31Å; K56-E60 PolarHBondContact O-N 3.25Å
57	K	54.3	Low	48.1	Very low	147 Å²	147	113.9 Å²	113.9	64%	0.639	55%	0.55	S	S	*	.	H	α-helix	trans	-57.7	-37.6	175.6	-82.9	-177.2	177.7	-178.2	0	112.4	S53 M54 N61	S53-K57 WeakPolarHBondContact O-CG 3.22Å; S53-K57 PolarHBondContact O-N 2.89Å; S53-K57 VanDerWaalsContact O-N 3.09Å; M54-K57 PolarHBondContact O-N 3.35Å; K57-N61 WeakPolarHBondContact O-CB 3.22Å; K57-N61 PolarHBondContact O-N 2.8Å; K57-N61 PolarHBondContact O-ND2 2.89Å
58	Y	48.6	Very low	46.9	Very low	110 Å²	110	117 Å²	117	43%	0.431	58%	0.575	S	S	.	*	H	α-helix	trans	-69.1	-45.1	177.7	-174.3	-107	0	0	0	112.2	M54 L55 K56 E60 N61 K62	M54-Y58 PolarHBondContact O-N 2.98Å; L55-Y58 PolarHBondContact O-N 3.21Å; K56-Y58 PolarHBondContact O-N 2.86Å; Y58-E60 VanDerWaalsContact C-N 3.35Å; Y58-E60 PolarHBondContact O-N 3.02Å; Y58-N61 PolarHBondContact O-N 3.23Å; Y58-K62 PolarHBondContact O-N 3.38Å; Y58-K62 VanDerWaalsContact O-N 3.12Å; Y58-K62 WeakPolarHBondContact OH-CE 3.32Å
59	I	49.4	Very low	45.8	Very low	87 Å²	87	123.9 Å²	123.9	45%	0.446	60%	0.602	S	S	.	*	H	α-helix	trans	-63.4	-41.6	176.5	-65.5	166.9	0	0	0	111	L55 K56 K62 K63	L55-I59 HydrophobicContact CG-CD1 4.21Å; L55-I59 WeakPolarHBondContact O-CG1 3.49Å; L55-I59 PolarHBondContact O-N 2.98Å; K56-I59 PolarHBondContact O-N 3.19Å; I59-K62 PolarHBondContact O-N 3.49Å; I59-K63 PolarHBondContact O-N 2.9Å
60	E	52.3	Low	44.1	Very low	108 Å²	108	123.7 Å²	123.7	51%	0.505	61%	0.606	S	S	.	*	H	α-helix	trans	-65.3	-45	179.4	-166.4	163.2	-160.7	0	0	111.4	K56 Y58 K62 K63 D64	K56-E60 VanDerWaalsContact O-CB 3.29Å; K56-E60 WeakPolarHBondContact O-CB 3.31Å; K56-E60 PolarHBondContact O-N 3.25Å; Y58-E60 VanDerWaalsContact C-N 3.35Å; Y58-E60 PolarHBondContact O-N 3.02Å; E60-K62 PolarHBondContact O-N 2.96Å; E60-K63 PolarHBondContact O-N 2.77Å; E60-D64 PolarHBondContact O-N 3.4Å
61	N	49.6	Very low	42.5	Very low	116 Å²	116	127.1 Å²	127.1	62%	0.62	63%	0.63	S	S	*	*	H	α-helix	trans	-61.3	-27	172.6	-87.9	-28.9	0	0	0	113.6	K57 Y58	K57-N61 WeakPolarHBondContact O-CB 3.22Å; K57-N61 PolarHBondContact O-N 2.8Å; K57-N61 PolarHBondContact O-ND2 2.89Å; Y58-N61 PolarHBondContact O-N 3.23Å
62	K	43.1	Very low	41.3	Very low	139 Å²	139	130.2 Å²	130.2	60%	0.604	65%	0.651	S	S	*	*	H	α-helix	trans	-78.7	-31.4	172.2	-81.2	-153.1	179.6	-174.1	0	112.8	Y58 I59 E60	Y58-K62 PolarHBondContact O-N 3.38Å; Y58-K62 VanDerWaalsContact O-N 3.12Å; Y58-K62 WeakPolarHBondContact OH-CE 3.32Å; I59-K62 PolarHBondContact O-N 3.49Å; E60-K62 PolarHBondContact O-N 2.96Å
63	K	41.9	Very low	39.8	Very low	158 Å²	158	130.6 Å²	130.6	69%	0.687	66%	0.659	S	S	*	*	H	α-helix	trans	-73.4	-33.3	-179.4	-82.6	-172.5	176.1	-177.2	0	113.8	I59 E60 K65 Q66	I59-K63 PolarHBondContact O-N 2.9Å; E60-K63 PolarHBondContact O-N 2.77Å; K63-K65 PolarHBondContact O-N 3.35Å; K63-Q66 PolarHBondContact O-N 3.14Å
64	D	39.9	Very low	38.2	Very low	136 Å²	136	137.4 Å²	137.4	73%	0.727	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-0.3	178.3	-77.4	-18.6	0	0	0	114.3	E60	E60-D64 PolarHBondContact O-N 3.4Å
65	K	31.8	Very low	37.1	Very low	179 Å²	179	138.1 Å²	138.1	78%	0.778	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	20.4	174.8	-65.6	-170.7	-179	-178.7	0	114.3	K63	K63-K65 PolarHBondContact O-N 3.35Å
66	Q	26.6	Very low	36.4	Very low	166 Å²	166	139.8 Å²	139.8	78%	0.776	71%	0.707	S	S	*	*	S	Bend	trans	-87.2	120.4	163	-93.1	-164.3	-5.8	0	0	111.2	K63 T68	K63-Q66 PolarHBondContact O-N 3.14Å; Q66-T68 PolarHBondContact O-N 2.97Å; Q66-T68 VanDerWaalsContact O-N 3.08Å
67	P	29.7	Very low	35.5	Very low	123 Å²	123	138.4 Å²	138.4	80%	0.799	71%	0.711	S	S	*	*			trans	-74.6	103.6	-170.2	29.3	-33	0	0	0	110.9	Q69	P67-Q69 PolarHBondContact O-N 3.33Å
68	T	24.2	Very low	34.7	Very low	137 Å²	137	135.9 Å²	135.9	84%	0.84	71%	0.71	S	S	*	*			trans	-76.1	106.2	166.6	-8.8	0	0	0	0	108.4	Q66 K70	Q66-T68 PolarHBondContact O-N 2.97Å; Q66-T68 VanDerWaalsContact O-N 3.08Å; T68-K70 PolarHBondContact O-N 3.24Å
69	Q	23.9	Very low	34.6	Very low	194 Å²	194	138.6 Å²	138.6	91%	0.907	72%	0.724	S	S	*	*			trans	-65.2	89.7	177.7	-145.8	-180	45.7	0	0	109.1	P67	P67-Q69 PolarHBondContact O-N 3.33Å
70	K	24.9	Very low	34.5	Very low	185 Å²	185	139 Å²	139	80%	0.804	72%	0.724	S	S	*	*			trans	-97.4	96.2	178.3	-153.1	174.6	-173.5	177.6	0	109.2	T68 T72	T68-K70 PolarHBondContact O-N 3.24Å; K70-T72 PolarHBondContact O-N 2.99Å
71	T	21.2	Very low	34.1	Very low	141 Å²	141	135.6 Å²	135.6	87%	0.865	71%	0.709	S	S	*	*			trans	-63.2	113.6	167.8	5.9	0	0	0	0	108.7
72	T	25.5	Very low	33.6	Very low	109 Å²	109	134.6 Å²	134.6	67%	0.669	70%	0.704	S	S	*	*			trans	-147.9	133.2	172.3	-48.7	0	0	0	0	108.2	K70	K70-T72 PolarHBondContact O-N 2.99Å
73	P	28.8	Very low	33.5	Very low	111 Å²	111	129.3 Å²	129.3	72%	0.721	68%	0.682	S	S	*	*			trans	-77.7	151.2	-152.2	30.2	-35.1	0	0	0	113.5	P75	P73-P75 WeakPolarHBondContact O-CD 3.44Å
74	K	28.3	Very low	33.1	Very low	201 Å²	201	124.1 Å²	124.1	87%	0.874	67%	0.673	S	S	*	*			trans	-36.8	115.1	177.5	-171	178.5	-172.8	175.5	0	114.3
75	P	27.4	Very low	32.8	Very low	111 Å²	111	121.9 Å²	121.9	72%	0.721	66%	0.664	S	S	*	*			trans	-120.3	127.9	157.6	17.8	5.3	0	0	0	111	P73 T77	P73-P75 WeakPolarHBondContact O-CD 3.44Å; P75-T77 PolarHBondContact O-N 2.93Å
76	T	34.8	Very low	33	Very low	134 Å²	134	115.6 Å²	115.6	82%	0.822	64%	0.643	S	S	*	*	S	Bend	trans	-60.1	82.9	174	32.8	0	0	0	0	112.7
77	T	38.9	Very low	33.3	Very low	114 Å²	114	113 Å²	113	70%	0.699	64%	0.635	S	S	*	*			trans	-169.7	107.7	152.2	-55.5	0	0	0	0	108.6	P75 K79	P75-T77 PolarHBondContact O-N 2.93Å; T77-K79 PolarHBondContact O-N 2.98Å; T77-K79 VanDerWaalsContact O-N 3.12Å
78	P	38.5	Very low	33.3	Very low	94 Å²	94	113.9 Å²	113.9	61%	0.61	63%	0.626	S	S	*	*			trans	-66	115.4	-179.1	-16.2	29	0	0	0	110.8	Q80 I81	P78-Q80 PolarHBondContact O-N 3.39Å; P78-I81 HydrophobicContact CB-CG1 4.44Å
79	K	47	Very low	33.7	Very low	167 Å²	167	112.9 Å²	112.9	73%	0.726	62%	0.62	S	S	*	*	S	Bend	trans	-68.4	-20.2	177.6	-81.1	175.7	-178.8	166.4	0	113.3	T77	T77-K79 PolarHBondContact O-N 2.98Å; T77-K79 VanDerWaalsContact O-N 3.12Å
80	Q	45.8	Very low	34.2	Very low	96 Å²	96	105.7 Å²	105.7	45%	0.449	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-150.1	128.5	-172.2	-174.8	176.5	-14	0	0	107.8	P78 N82	P78-Q80 PolarHBondContact O-N 3.39Å; Q80-N82 PolarHBondContact NE2-ND2 3.48Å; Q80-N82 VanDerWaalsContact NE2-ND2 3.11Å; Q80-N82 PolarHBondContact NE2-OD1 3.34Å
81	I	43.6	Very low	35.1	Very low	36 Å²	36	102.8 Å²	102.8	19%	0.185	58%	0.584	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.7	110.8	172.3	-58.8	177.8	0	0	0	105.9	P78 P102 N109	P78-I81 HydrophobicContact CB-CG1 4.44Å; I81-P102 HydrophobicContact CD1-CB 3.89Å; I81-P102 HydrophobicContact CD1-CG 3.39Å; I81-N109 PolarHBondContact O-N 2.9Å
82	N	40.7	Very low	36	Very low	96 Å²	96	100.5 Å²	100.5	51%	0.513	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.4	115.6	171	-65.4	-29.9	0	0	0	106.7	Q80 G84 N109	Q80-N82 PolarHBondContact NE2-ND2 3.48Å; Q80-N82 VanDerWaalsContact NE2-ND2 3.11Å; Q80-N82 PolarHBondContact NE2-OD1 3.34Å; N82-G84 PolarHBondContact O-N 2.79Å; N82-N109 PolarHBondContact OD1-ND2 2.91Å
83	D	40.5	Very low	36.5	Very low	28 Å²	28	100.7 Å²	100.7	15%	0.15	56%	0.563	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.2	93.3	-178.5	-134.2	11.1	0	0	0	107.7	R97 T99 N109 G111	D83-R97 PolarHBondContact O-NH1 3.27Å; D83-R97 PolarHBondContact O-NH2 3.2Å; D83-R97 IonicContact OD1-CZ 3.99Å; D83-R97 IonicContact OD1-NH2 3.75Å; D83-R97 IonicContact OD2-CZ 3.58Å; D83-R97 IonicContact OD2-NE 3.79Å; D83-R97 IonicContact OD2-NH1 3.59Å; D83-T99 PolarHBondContact OD2-OG1 3.15Å; D83-N109 PolarHBondContact N-O 3.28Å; D83-G111 WeakPolarHBondContact O-CA 3.28Å; D83-G111 PolarHBondContact O-N 2.79Å
84	G	33.4	Very low	37	Very low	48 Å²	48	100.1 Å²	100.1	50%	0.495	56%	0.558	S	S	.	*			trans	-48.4	154.4	-165.7	0	0	0	0	0	116.9	N82 R97	N82-G84 PolarHBondContact O-N 2.79Å; G84-R97 PolarHBondContact O-NH2 2.95Å
85	T	34.2	Very low	37.5	Very low	89 Å²	89	93.8 Å²	93.8	55%	0.546	53%	0.533	S	S	.	.			trans	-60.3	134.1	178.9	-38	0	0	0	0	110.3
86	S	35.1	Very low	38.1	Very low	48 Å²	48	96 Å²	96	34%	0.336	53%	0.531	S	S	.	.			trans	-130.1	110.5	172.8	172.5	0	0	0	0	109.6	K115	S86-K115 WeakPolarHBondContact O-CE 3.23Å; S86-K115 PolarHBondContact O-NZ 3.09Å
87	D	32.8	Very low	38.6	Very low	112 Å²	112	92.9 Å²	92.9	60%	0.599	50%	0.504	S	S	*	.			trans	-94.7	121	169.9	-52.3	-30.1	0	0	0	106.6
88	K	29.8	Very low	38.6	Very low	140 Å²	140	92.4 Å²	92.4	61%	0.609	50%	0.501	S	S	*	.			trans	-142.3	123.4	166.5	-63.2	-169.3	172.4	-174.8	0	107.9	K115	K88-K115 VanDerWaalsContact N-CE 3.29Å; K88-K115 VanDerWaalsContact O-CD 3.26Å; K88-K115 WeakPolarHBondContact O-CD 3.48Å
89	T	32.6	Very low	38.9	Very low	116 Å²	116	88.6 Å²	88.6	71%	0.712	48%	0.476	S	S	*	.			trans	-86	120.7	164.3	38.3	0	0	0	0	107.5
90	S	34.5	Very low	38.7	Very low	43 Å²	43	84.8 Å²	84.8	30%	0.301	47%	0.468	S	S	.	.			trans	-170.1	136.6	173.4	164	0	0	0	0	109.6	T92 H93 S117 H120	S90-T92 VanDerWaalsContact C-N 3.33Å; S90-T92 PolarHBondContact O-N 2.73Å; S90-H93 PolarHBondContact OG-CD2 2.87Å; S90-H93 PolarHBondContact OG-NE2 2.86Å; S90-S117 WeakPolarHBondContact O-CB 3.41Å; S90-S117 PolarHBondContact O-OG 2.99Å; S90-S117 VanDerWaalsContact O-OG 3.11Å; S90-H120 PolarHBondContact O-CE1 2.91Å; S90-H120 VanDerWaalsContact O-CE1 3.25Å
91	D	44.8	Very low	38.5	Very low	124 Å²	124	88.1 Å²	88.1	66%	0.663	48%	0.482	S	S	*	.	S	Bend	trans	-66.8	-25.7	-158.2	-56.3	-31	0	0	0	115.1	S117	D91-S117 PolarHBondContact O-OG 3.25Å
92	T	38.5	Very low	38.5	Very low	93 Å²	93	87.6 Å²	87.6	57%	0.571	48%	0.48	S	S	*	.	S	Bend	trans	-158.9	94.9	-178.1	38.1	0	0	0	0	112.7	S90 T119	S90-T92 VanDerWaalsContact C-N 3.33Å; S90-T92 PolarHBondContact O-N 2.73Å; T92-T119 WeakPolarHBondContact CG2-OG1 3.46Å
93	H	36.6	Very low	38.9	Very low	114 Å²	114	88.6 Å²	88.6	53%	0.528	49%	0.49	S	S	.	.			trans	-140	137.3	171.4	-72.9	-38.7	0	0	0	114.4	S90 I95 H120	S90-H93 PolarHBondContact OG-CD2 2.87Å; S90-H93 PolarHBondContact OG-NE2 2.86Å; H93-I95 HydrophobicContact CB-CG1 4.33Å; H93-I95 PolarHBondContact O-N 2.83Å; H93-H120 PolarHBondContact O-ND1 3.43Å
94	T	40.5	Very low	39.3	Very low	99 Å²	99	92 Å²	92	61%	0.607	51%	0.512	S	S	*	.			trans	-84	106.3	165.4	-64.2	0	0	0	0	108.8
95	I	38.3	Very low	40	Very low	67 Å²	67	89.9 Å²	89.9	34%	0.344	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	112.9	178.3	-56	177.1	0	0	0	109.3	H93	H93-I95 HydrophobicContact CB-CG1 4.33Å; H93-I95 PolarHBondContact O-N 2.83Å
96	K	40.4	Very low	40.8	Very low	157 Å²	157	91 Å²	91	68%	0.683	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	120.7	167.3	-70.6	178.1	-176.6	170.3	0	108.4
97	R	43.9	Very low	41.5	Very low	70 Å²	70	91.9 Å²	91.9	26%	0.264	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	119.2	173.6	-157	-178.7	-169.9	-152.1	11.8	109.5	D83 G84	D83-R97 PolarHBondContact O-NH1 3.27Å; D83-R97 PolarHBondContact O-NH2 3.2Å; D83-R97 IonicContact OD1-CZ 3.99Å; D83-R97 IonicContact OD1-NH2 3.75Å; D83-R97 IonicContact OD2-CZ 3.58Å; D83-R97 IonicContact OD2-NE 3.79Å; D83-R97 IonicContact OD2-NH1 3.59Å; G84-R97 PolarHBondContact O-NH2 2.95Å
98	T	38.7	Very low	42.3	Very low	103 Å²	103	86.6 Å²	86.6	63%	0.632	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117	110.3	175.8	45.5	0	0	0	0	108.7
99	T	46.3	Very low	43.1	Very low	14 Å²	14	81.9 Å²	81.9	9%	0.086	44%	0.439	C	S	.	.			trans	-68.2	142.6	172.5	-48.6	0	0	0	0	108.8	D83 P127	D83-T99 PolarHBondContact OD2-OG1 3.15Å; T99-P127 VanDerWaalsContact O-CD 3.31Å; T99-P127 WeakPolarHBondContact O-CD 3.43Å; T99-P127 WeakPolarHBondContact O-CG 3.21Å
100	P	41	Very low	43.9	Very low	87 Å²	87	76.8 Å²	76.8	57%	0.565	41%	0.407	S	S	*	.			trans	-61.8	141.1	176.7	-19.8	30.5	0	0	0	111.2	P102	P100-P102 WeakPolarHBondContact O-CD 3.24Å; P100-P102 WeakPolarHBondContact O-CG 3.29Å
101	K	41.8	Very low	44.3	Very low	167 Å²	167	75.5 Å²	75.5	73%	0.726	40%	0.401	S	S	*	.			trans	-76.3	110.5	177	-179.3	-176.4	179.7	-179.8	0	110.3	P127	K101-P127 HydrophobicContact CB-CB 3.85Å; K101-P127 HydrophobicContact CB-CG 4.21Å; K101-P127 HydrophobicContact CG-CB 4.26Å
102	P	45.4	Very low	44.1	Very low	25 Å²	25	71.8 Å²	71.8	16%	0.162	38%	0.383	C	S	.	.			trans	-101.3	142.2	177.9	5.2	19.9	0	0	0	109.2	I81 P100 T104 P105	I81-P102 HydrophobicContact CD1-CB 3.89Å; I81-P102 HydrophobicContact CD1-CG 3.39Å; P100-P102 WeakPolarHBondContact O-CD 3.24Å; P100-P102 WeakPolarHBondContact O-CG 3.29Å; P102-T104 VanDerWaalsContact C-N 3.32Å; P102-T104 PolarHBondContact O-N 3.17Å; P102-P105 HydrophobicContact CB-CB 4.23Å; P102-P105 HydrophobicContact CB-CG 3.92Å; P102-P105 HydrophobicContact CG-CB 4.25Å; P102-P105 HydrophobicContact CG-CG 3.81Å
103	T	48.2	Very low	44.3	Very low	117 Å²	117	68.3 Å²	68.3	72%	0.718	36%	0.362	S	S	*	.	S	Bend	trans	-69.2	-28.2	-177.8	41.1	0	0	0	0	112.8	T130	T103-T130 PolarHBondContact O-OG1 3.05Å
104	T	49.1	Very low	44.4	Very low	99 Å²	99	66.1 Å²	66.1	61%	0.607	35%	0.354	S	S	*	.	S	Bend	trans	-158.3	57.2	-176.8	-9.3	0	0	0	0	114.9	P102	P102-T104 VanDerWaalsContact C-N 3.32Å; P102-T104 PolarHBondContact O-N 3.17Å
105	P	48.6	Very low	44.6	Very low	4 Å²	4	62.1 Å²	62.1	3%	0.026	33%	0.328	C	S	.	.			trans	-75.5	137.1	176	33.2	-31.7	0	0	0	110.6	P102 I108 P129	P102-P105 HydrophobicContact CB-CB 4.23Å; P102-P105 HydrophobicContact CB-CG 3.92Å; P102-P105 HydrophobicContact CG-CB 4.25Å; P102-P105 HydrophobicContact CG-CG 3.81Å; P105-I108 HydrophobicContact CB-CG1 4.02Å; P105-I108 HydrophobicContact CG-CD1 3.68Å; P105-I108 HydrophobicContact CG-CG1 3.65Å; P105-P129 HydrophobicContact CG-CB 4.47Å
106	K	51.2	Low	44.6	Very low	113 Å²	113	62.6 Å²	62.6	49%	0.491	34%	0.335	S	S	.	.	S	Bend	trans	-69.6	-37.6	175.5	-79.8	-178.4	-179	174	0	111.7	K133 Q134	K106-K133 WeakPolarHBondContact O-CB 3.24Å; K106-K133 PolarHBondContact O-N 3.02Å; K106-K133 VanDerWaalsContact O-N 3.1Å; K106-Q134 PolarHBondContact O-N 3.29Å
107	Q	48.1	Very low	44.7	Very low	65 Å²	65	55.5 Å²	55.5	30%	0.304	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	132.6	-178.2	-72	173.9	-45	0	0	109.1	Q134	Q107-Q134 WeakPolarHBondContact CA-O 3.45Å; Q107-Q134 HydrophobicContact CG-CB 4.29Å
108	I	50.4	Low	45	Very low	2 Å²	2	57 Å²	57	1%	0.01	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	119.6	169.1	-57.3	177	0	0	0	106.4	P105 P129 Q134 N136	P105-I108 HydrophobicContact CB-CG1 4.02Å; P105-I108 HydrophobicContact CG-CD1 3.68Å; P105-I108 HydrophobicContact CG-CG1 3.65Å; I108-P129 HydrophobicContact CD1-CB 4.14Å; I108-P129 HydrophobicContact CD1-CG 3.43Å; I108-P129 VanDerWaalsContact CD1-CG 3.43Å; I108-Q134 PolarHBondContact N-O 3.09Å; I108-N136 PolarHBondContact O-N 3.31Å
109	N	46.6	Very low	45.3	Very low	40 Å²	40	55.2 Å²	55.2	21%	0.214	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	109.3	171.7	-67.9	-29.1	0	0	0	107.5	I81 N82 D83 G111 N136	I81-N109 PolarHBondContact O-N 2.9Å; N82-N109 PolarHBondContact OD1-ND2 2.91Å; D83-N109 PolarHBondContact N-O 3.28Å; N109-G111 PolarHBondContact O-N 3.38Å; N109-N136 WeakPolarHBondContact OD1-CB 3.35Å; N109-N136 PolarHBondContact OD1-ND2 2.91Å
110	D	50.1	Low	45.1	Very low	9 Å²	9	55.3 Å²	55.3	5%	0.048	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	119.1	171.3	-76.7	-1.2	0	0	0	107.3	T126 N136 G138	D110-T126 PolarHBondContact OD2-OG1 3.22Å; D110-N136 PolarHBondContact N-O 3.46Å; D110-G138 WeakPolarHBondContact O-CA 3.47Å; D110-G138 PolarHBondContact O-N 3.21Å
111	G	43.1	Very low	45.2	Very low	16 Å²	16	54.5 Å²	54.5	17%	0.165	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-65.1	165.8	-174.6	0	0	0	0	0	114.8	D83 N109 R124	D83-G111 WeakPolarHBondContact O-CA 3.28Å; D83-G111 PolarHBondContact O-N 2.79Å; N109-G111 PolarHBondContact O-N 3.38Å; G111-R124 PolarHBondContact O-NH1 3.46Å; G111-R124 PolarHBondContact O-NH2 3.31Å
112	T	40.3	Very low	45.4	Very low	46 Å²	46	48.2 Å²	48.2	28%	0.282	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-68.5	149.9	174.5	35.4	0	0	0	0	112.1	T139	T112-T139 WeakPolarHBondContact CA-O 3.18Å; T112-T139 WeakPolarHBondContact CG2-OG1 3.33Å
113	S	42.3	Very low	45.3	Very low	20 Å²	20	51.9 Å²	51.9	14%	0.14	29%	0.287	C	S	.	.			trans	-144	112.7	170.2	178.5	0	0	0	0	109.7	T139 S140 K142	S113-T139 PolarHBondContact N-O 2.9Å; S113-S140 PolarHBondContact O-OG 3.39Å; S113-K142 WeakPolarHBondContact O-CE 3.39Å; S113-K142 PolarHBondContact OG-NZ 3.27Å
114	D	38.4	Very low	45.4	Very low	68 Å²	68	47.4 Å²	47.4	36%	0.364	26%	0.257	S	S	.	.			trans	-111.7	123	178.8	-53	-29.8	0	0	0	107.1	D141	D114-D141 WeakPolarHBondContact CA-O 3.34Å; D114-D141 PolarHBondContact OD1-N 2.96Å
115	K	43.7	Very low	45.2	Very low	15 Å²	15	45.1 Å²	45.1	7%	0.065	24%	0.243	C	C	.	.			trans	-151.9	139.5	-176.6	-59.8	-172.6	177.4	-155.4	0	111.8	S86 K88 K142	S86-K115 WeakPolarHBondContact O-CE 3.23Å; S86-K115 PolarHBondContact O-NZ 3.09Å; K88-K115 VanDerWaalsContact N-CE 3.29Å; K88-K115 VanDerWaalsContact O-CD 3.26Å; K88-K115 WeakPolarHBondContact O-CD 3.48Å; K115-K142 HydrophobicContact CB-CD 4.03Å; K115-K142 WeakPolarHBondContact O-CB 3.49Å; K115-K142 WeakPolarHBondContact O-CD 3.45Å; K115-K142 VanDerWaalsContact O-CG 3.26Å; K115-K142 WeakPolarHBondContact O-CG 3.39Å
116	T	38.8	Very low	45.3	Very low	77 Å²	77	45.5 Å²	45.5	47%	0.472	25%	0.246	S	C	.	.			trans	-106.8	116.8	173.5	50.9	0	0	0	0	108.7	T143	T116-T143 WeakPolarHBondContact CG2-OG1 3.35Å
117	S	43.6	Very low	45	Very low	8 Å²	8	41.5 Å²	41.5	6%	0.056	23%	0.231	C	C	.	.			trans	-177.2	135.1	171.8	151.3	0	0	0	0	111.5	S90 D91 T119 H120 S144 H147	S90-S117 WeakPolarHBondContact O-CB 3.41Å; S90-S117 PolarHBondContact O-OG 2.99Å; S90-S117 VanDerWaalsContact O-OG 3.11Å; D91-S117 PolarHBondContact O-OG 3.25Å; S117-T119 VanDerWaalsContact C-N 3.34Å; S117-T119 PolarHBondContact O-N 3.48Å; S117-T119 VanDerWaalsContact O-N 3.13Å; S117-H120 WeakPolarHBondContact CB-NE2 3.31Å; S117-H120 PolarHBondContact OG-CE1 3.1Å; S117-H120 PolarHBondContact OG-NE2 3.38Å; S117-S144 VanDerWaalsContact C-CB 3.43Å; S117-S144 WeakPolarHBondContact O-CB 3.08Å; S117-S144 PolarHBondContact O-OG 2.87Å; S117-H147 PolarHBondContact O-CE1 3.45Å; S117-H147 VanDerWaalsContact O-CE1 3.27Å
118	D	50.3	Low	44.9	Very low	102 Å²	102	44 Å²	44	55%	0.545	24%	0.241	S	C	.	.	S	Bend	trans	-53	-32.9	-164.8	-52.3	-16.1	0	0	0	116.8	S144 T146	D118-S144 PolarHBondContact O-OG 2.99Å; D118-T146 PolarHBondContact O-N 2.83Å; D118-T146 PolarHBondContact O-OG1 2.9Å
119	T	43.9	Very low	44.8	Very low	66 Å²	66	44 Å²	44	41%	0.405	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	115.8	-178.5	50.2	0	0	0	0	112.7	T92 S117 T146	T92-T119 WeakPolarHBondContact CG2-OG1 3.46Å; S117-T119 VanDerWaalsContact C-N 3.34Å; S117-T119 PolarHBondContact O-N 3.48Å; S117-T119 VanDerWaalsContact O-N 3.13Å; T119-T146 VanDerWaalsContact CG2-OG1 3.28Å; T119-T146 WeakPolarHBondContact CG2-OG1 3.19Å
120	H	43.3	Very low	45.1	Very low	16 Å²	16	46.2 Å²	46.2	7%	0.074	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	142.4	176.8	-65.5	-34.2	0	0	0	113.7	S90 H93 S117 H147	S90-H120 PolarHBondContact O-CE1 2.91Å; S90-H120 VanDerWaalsContact O-CE1 3.25Å; H93-H120 PolarHBondContact O-ND1 3.43Å; S117-H120 WeakPolarHBondContact CB-NE2 3.31Å; S117-H120 PolarHBondContact OG-CE1 3.1Å; S117-H120 PolarHBondContact OG-NE2 3.38Å; H120-H147 VanDerWaalsContact CB-CE1 3.48Å; H120-H147 WeakPolarHBondContact CB-CE1 3.06Å; H120-H147 AromaticContact CG-CE1 3.92Å; H120-H147 PolarHBondContact N-CE1 3.39Å; H120-H147 VanDerWaalsContact N-CE1 3.25Å; H120-H147 PolarHBondContact N-ND1 3.37Å; H120-H147 PolarHBondContact O-ND1 2.83Å
121	T	43.1	Very low	45.2	Very low	69 Å²	69	49 Å²	49	42%	0.423	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	115.3	163.9	-63.5	0	0	0	0	108.8
122	I	45.4	Very low	45.6	Very low	35 Å²	35	48.3 Å²	48.3	18%	0.179	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	119.8	177.1	-58.4	174.4	0	0	0	108.7	R124 K142 K150	I122-R124 HydrophobicContact CG2-CG 4.39Å; I122-K142 VanDerWaalsContact CD1-NZ 3.28Å; I122-K150 PolarHBondContact O-N 3.42Å
123	K	43.2	Very low	46.2	Very low	102 Å²	102	51.3 Å²	51.3	44%	0.443	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	108.2	171.6	-166.7	177.6	-178.8	-177.5	0	108.6
124	R	49.4	Very low	46.5	Very low	24 Å²	24	52.8 Å²	52.8	9%	0.091	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.2	174.4	-96	-175.2	171.8	-146.2	3.6	109.7	G111 I122 R151 T152	G111-R124 PolarHBondContact O-NH1 3.46Å; G111-R124 PolarHBondContact O-NH2 3.31Å; I122-R124 HydrophobicContact CG2-CG 4.39Å; R124-R151 HydrophobicContact CB-CG 4.41Å; R124-T152 PolarHBondContact O-N 2.95Å
125	T	45	Very low	47.2	Very low	51 Å²	51	49.7 Å²	49.7	31%	0.313	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	104.5	173.6	48.8	0	0	0	0	108.7
126	T	50.5	Low	47.4	Very low	12 Å²	12	51.2 Å²	51.2	7%	0.074	27%	0.272	C	S	.	.			trans	-74.9	133.2	169.1	-41.3	0	0	0	0	107.3	D110 P154	D110-T126 PolarHBondContact OD2-OG1 3.22Å; T126-P154 WeakPolarHBondContact O-CD 2.99Å; T126-P154 WeakPolarHBondContact O-CG 3.4Å
127	P	44.6	Very low	48.1	Very low	28 Å²	28	48 Å²	48	18%	0.182	25%	0.252	C	S	.	.			trans	-73	148.2	177.5	30.7	-37.1	0	0	0	111.4	T99 K101 P129	T99-P127 VanDerWaalsContact O-CD 3.31Å; T99-P127 WeakPolarHBondContact O-CD 3.43Å; T99-P127 WeakPolarHBondContact O-CG 3.21Å; K101-P127 HydrophobicContact CB-CB 3.85Å; K101-P127 HydrophobicContact CB-CG 4.21Å; K101-P127 HydrophobicContact CG-CB 4.26Å; P127-P129 WeakPolarHBondContact O-CD 3.29Å; P127-P129 WeakPolarHBondContact O-CG 3.38Å
128	K	46.6	Very low	48.1	Very low	118 Å²	118	48.1 Å²	48.1	51%	0.513	26%	0.255	S	S	.	.			trans	-67	112.2	177.6	-175.6	-179.8	178.4	177	0	110.5	P154 K155	K128-P154 HydrophobicContact CB-CB 3.87Å; K128-P154 HydrophobicContact CB-CG 4.01Å; K128-P154 HydrophobicContact CG-CB 4.42Å; K128-K155 WeakPolarHBondContact CE-O 3.04Å
129	P	48.7	Very low	47.7	Very low	3 Å²	3	45.4 Å²	45.4	2%	0.019	24%	0.242	C	C	.	.			trans	-93.2	148.1	172.6	5.5	17.9	0	0	0	108.9	P105 I108 P127 P132	P105-P129 HydrophobicContact CG-CB 4.47Å; I108-P129 HydrophobicContact CD1-CB 4.14Å; I108-P129 HydrophobicContact CD1-CG 3.43Å; I108-P129 VanDerWaalsContact CD1-CG 3.43Å; P127-P129 WeakPolarHBondContact O-CD 3.29Å; P127-P129 WeakPolarHBondContact O-CG 3.38Å; P129-P132 HydrophobicContact CB-CG 3.5Å; P129-P132 VanDerWaalsContact CB-CG 3.5Å; P129-P132 HydrophobicContact CG-CG 3.42Å; P129-P132 VanDerWaalsContact CG-CG 3.42Å
130	T	53.3	Low	47.7	Very low	85 Å²	85	42.6 Å²	42.6	52%	0.521	23%	0.225	S	C	.	.	S	Bend	trans	-71	-35.8	-176.7	41.1	0	0	0	0	112.3	T103 T157	T103-T130 PolarHBondContact O-OG1 3.05Å; T130-T157 PolarHBondContact O-OG1 2.99Å
131	T	52.3	Low	47.5	Very low	68 Å²	68	44.8 Å²	44.8	42%	0.417	24%	0.237	S	C	.	.			trans	-155.3	70.2	-178	38.2	0	0	0	0	114.2
132	P	51.4	Low	47.5	Very low	2 Å²	2	42.8 Å²	42.8	1%	0.013	22%	0.223	C	C	.	.			trans	-72.2	141.8	165.2	-12.8	29.2	0	0	0	110.8	P129 I135 P159	P129-P132 HydrophobicContact CB-CG 3.5Å; P129-P132 VanDerWaalsContact CB-CG 3.5Å; P129-P132 HydrophobicContact CG-CG 3.42Å; P129-P132 VanDerWaalsContact CG-CG 3.42Å; P132-I135 HydrophobicContact CB-CD1 4.35Å; P132-I135 HydrophobicContact CB-CG1 3.81Å; P132-I135 HydrophobicContact CG-CD1 3.99Å; P132-I135 HydrophobicContact CG-CG1 3.97Å; P132-P159 WeakPolarHBondContact O-CA 3.41Å
133	K	52	Low	47.2	Very low	108 Å²	108	44.4 Å²	44.4	47%	0.47	24%	0.235	S	C	.	.	S	Bend	trans	-74.1	-40	166.3	-72.6	-177.4	177.8	179	0	110.6	K106 K160 Q161	K106-K133 WeakPolarHBondContact O-CB 3.24Å; K106-K133 PolarHBondContact O-N 3.02Å; K106-K133 VanDerWaalsContact O-N 3.1Å; K133-K160 WeakPolarHBondContact O-CA 3.29Å; K133-K160 VanDerWaalsContact O-CB 3.29Å; K133-K160 WeakPolarHBondContact O-CB 3.47Å; K133-K160 PolarHBondContact O-N 3.27Å; K133-Q161 PolarHBondContact O-N 3.1Å
134	Q	49.9	Very low	47.2	Very low	51 Å²	51	39.9 Å²	39.9	24%	0.238	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	138.2	-179.3	-59.7	172.4	-60.5	0	0	110.5	K106 Q107 I108 Q161	K106-Q134 PolarHBondContact O-N 3.29Å; Q107-Q134 WeakPolarHBondContact CA-O 3.45Å; Q107-Q134 HydrophobicContact CG-CB 4.29Å; I108-Q134 PolarHBondContact N-O 3.09Å; Q134-Q161 WeakPolarHBondContact CA-O 3.01Å; Q134-Q161 HydrophobicContact CG-CB 4.25Å
135	I	52.3	Low	47.1	Very low	4 Å²	4	43.8 Å²	43.8	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.3	170.7	-54.6	175.6	0	0	0	106.3	P132 P156 Q161 I162 N163	P132-I135 HydrophobicContact CB-CD1 4.35Å; P132-I135 HydrophobicContact CB-CG1 3.81Å; P132-I135 HydrophobicContact CG-CD1 3.99Å; P132-I135 HydrophobicContact CG-CG1 3.97Å; I135-P156 HydrophobicContact CD1-CB 4.34Å; I135-P156 HydrophobicContact CD1-CG 3.56Å; I135-Q161 PolarHBondContact N-O 3.28Å; I135-I162 WeakPolarHBondContact O-CA 3.47Å; I135-N163 PolarHBondContact O-N 3.42Å
136	N	48.4	Very low	47.1	Very low	46 Å²	46	44.5 Å²	44.5	25%	0.246	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	115.6	171.1	-62.9	-34.8	0	0	0	108.3	I108 N109 D110 N163	I108-N136 PolarHBondContact O-N 3.31Å; N109-N136 WeakPolarHBondContact OD1-CB 3.35Å; N109-N136 PolarHBondContact OD1-ND2 2.91Å; D110-N136 PolarHBondContact N-O 3.46Å; N136-N163 WeakPolarHBondContact OD1-CB 3.42Å; N136-N163 PolarHBondContact OD1-ND2 3.02Å
137	D	52	Low	46.9	Very low	10 Å²	10	45 Å²	45	5%	0.053	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-80.4	122.7	172.4	-76.3	-0.2	0	0	0	108.1	T153 N163 G165	D137-T153 PolarHBondContact OD2-OG1 2.98Å; D137-N163 PolarHBondContact N-O 3.47Å; D137-G165 WeakPolarHBondContact O-CA 3.27Å; D137-G165 PolarHBondContact O-N 3.1Å
138	G	44.2	Very low	46.8	Very low	11 Å²	11	47.4 Å²	47.4	11%	0.113	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-62.7	150.7	-177.9	0	0	0	0	0	114.7	D110 R151	D110-G138 WeakPolarHBondContact O-CA 3.47Å; D110-G138 PolarHBondContact O-N 3.21Å; G138-R151 PolarHBondContact O-NH1 2.97Å
139	T	42.1	Very low	46.8	Very low	45 Å²	45	43 Å²	43	28%	0.276	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-68	152.1	172.2	48.2	0	0	0	0	111	T112 S113 T166	T112-T139 WeakPolarHBondContact CA-O 3.18Å; T112-T139 WeakPolarHBondContact CG2-OG1 3.33Å; S113-T139 PolarHBondContact N-O 2.9Å; T139-T166 WeakPolarHBondContact CA-O 3.49Å; T139-T166 WeakPolarHBondContact CB-O 3.49Å; T139-T166 WeakPolarHBondContact CG2-O 3.31Å; T139-T166 WeakPolarHBondContact CG2-OG1 3.19Å
140	S	43.5	Very low	46.5	Very low	7 Å²	7	48.5 Å²	48.5	5%	0.049	26%	0.264	C	S	.	.			trans	-147	111.6	177.6	-171.5	0	0	0	0	109	S113 T166 S167	S113-S140 PolarHBondContact O-OG 3.39Å; S140-T166 PolarHBondContact N-O 3.34Å; S140-S167 WeakPolarHBondContact O-CA 3.45Å; S140-S167 WeakPolarHBondContact O-CB 3.36Å; S140-S167 PolarHBondContact O-OG 3.5Å
141	D	39	Very low	46.3	Very low	61 Å²	61	46.2 Å²	46.2	33%	0.326	25%	0.246	S	C	.	.			trans	-110.6	122.3	-177.5	-57.3	-29.3	0	0	0	107.7	D114 D168	D114-D141 WeakPolarHBondContact CA-O 3.34Å; D114-D141 PolarHBondContact OD1-N 2.96Å; D141-D168 PolarHBondContact OD1-N 3.31Å
142	K	44.3	Very low	45.9	Very low	27 Å²	27	45.3 Å²	45.3	12%	0.117	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-146.3	140.1	-174.1	-63.8	-162.3	178.4	-176.6	0	113.9	S113 K115 I122	S113-K142 WeakPolarHBondContact O-CE 3.39Å; S113-K142 PolarHBondContact OG-NZ 3.27Å; K115-K142 HydrophobicContact CB-CD 4.03Å; K115-K142 WeakPolarHBondContact O-CB 3.49Å; K115-K142 WeakPolarHBondContact O-CD 3.45Å; K115-K142 VanDerWaalsContact O-CG 3.26Å; K115-K142 WeakPolarHBondContact O-CG 3.39Å; I122-K142 VanDerWaalsContact CD1-NZ 3.28Å
143	T	38.9	Very low	45.9	Very low	70 Å²	70	45.9 Å²	45.9	43%	0.429	24%	0.243	S	C	.	.			trans	-112.6	105.8	174.1	60.2	0	0	0	0	109.4	T116 T170	T116-T143 WeakPolarHBondContact CG2-OG1 3.35Å; T143-T170 VanDerWaalsContact CG2-OG1 3.31Å; T143-T170 WeakPolarHBondContact CG2-OG1 3.19Å
144	S	42.5	Very low	45.6	Very low	7 Å²	7	42.4 Å²	42.4	5%	0.049	23%	0.232	C	C	.	.			trans	-169.7	154.5	168.7	129.7	0	0	0	0	112.6	S117 D118 T146 H147 S171	S117-S144 VanDerWaalsContact C-CB 3.43Å; S117-S144 WeakPolarHBondContact O-CB 3.08Å; S117-S144 PolarHBondContact O-OG 2.87Å; D118-S144 PolarHBondContact O-OG 2.99Å; S144-T146 PolarHBondContact O-N 2.99Å; S144-H147 WeakPolarHBondContact CB-NE2 3.48Å; S144-H147 PolarHBondContact OG-CD2 3.04Å; S144-H147 PolarHBondContact OG-CE1 2.91Å; S144-H147 PolarHBondContact OG-NE2 3.29Å; S144-S171 VanDerWaalsContact O-CB 3.28Å; S144-S171 WeakPolarHBondContact O-CB 3.38Å; S144-S171 PolarHBondContact O-OG 3.18Å
145	D	48.5	Very low	45.5	Very low	106 Å²	106	44.5 Å²	44.5	57%	0.567	24%	0.24	S	C	*	.	S	Bend	trans	-69.1	-32.5	-162.7	-61.7	-20.3	0	0	0	115.7
146	T	43.2	Very low	45.3	Very low	66 Å²	66	44.4 Å²	44.4	41%	0.405	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	121.2	-179.7	55.3	0	0	0	0	114.8	D118 T119 S144	D118-T146 PolarHBondContact O-N 2.83Å; D118-T146 PolarHBondContact O-OG1 2.9Å; T119-T146 VanDerWaalsContact CG2-OG1 3.28Å; T119-T146 WeakPolarHBondContact CG2-OG1 3.19Å; S144-T146 PolarHBondContact O-N 2.99Å
147	H	46.8	Very low	45.5	Very low	23 Å²	23	45.8 Å²	45.8	11%	0.106	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	143.6	-179.6	-67	-50.4	0	0	0	115.3	S117 H120 S144	S117-H147 PolarHBondContact O-CE1 3.45Å; S117-H147 VanDerWaalsContact O-CE1 3.27Å; H120-H147 VanDerWaalsContact CB-CE1 3.48Å; H120-H147 WeakPolarHBondContact CB-CE1 3.06Å; H120-H147 AromaticContact CG-CE1 3.92Å; H120-H147 PolarHBondContact N-CE1 3.39Å; H120-H147 VanDerWaalsContact N-CE1 3.25Å; H120-H147 PolarHBondContact N-ND1 3.37Å; H120-H147 PolarHBondContact O-ND1 2.83Å; S144-H147 WeakPolarHBondContact CB-NE2 3.48Å; S144-H147 PolarHBondContact OG-CD2 3.04Å; S144-H147 PolarHBondContact OG-CE1 2.91Å; S144-H147 PolarHBondContact OG-NE2 3.29Å
148	T	43.5	Very low	45.6	Very low	78 Å²	78	49 Å²	49	48%	0.479	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	115.2	163.2	-63.3	0	0	0	0	109.6
149	I	45.4	Very low	45.9	Very low	25 Å²	25	48.7 Å²	48.7	13%	0.128	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.6	176.1	-60.3	172.5	0	0	0	108.3	R151	I149-R151 HydrophobicContact CG2-CG 3.92Å
150	K	42.4	Very low	46.3	Very low	119 Å²	119	52.6 Å²	52.6	52%	0.517	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	104.4	171.9	-163	172.4	-176.2	175.4	0	108.8	I122	I122-K150 PolarHBondContact O-N 3.42Å
151	R	49.8	Very low	46.5	Very low	37 Å²	37	55 Å²	55	14%	0.14	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	124.6	175.7	-75.5	-177.5	179.4	-134.6	7.9	109.3	R124 G138 I149	R124-R151 HydrophobicContact CB-CG 4.41Å; G138-R151 PolarHBondContact O-NH1 2.97Å; I149-R151 HydrophobicContact CG2-CG 3.92Å
152	T	44.8	Very low	47	Very low	48 Å²	48	53 Å²	53	29%	0.294	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	108.7	174.6	50.1	0	0	0	0	109.1	R124	R124-T152 PolarHBondContact O-N 2.95Å
153	T	51.5	Low	47.2	Very low	14 Å²	14	54.4 Å²	54.4	9%	0.086	29%	0.288	C	S	.	.			trans	-93.1	119.8	174.3	-48.1	0	0	0	0	107.7	D137 P181	D137-T153 PolarHBondContact OD2-OG1 2.98Å; T153-P181 WeakPolarHBondContact O-CD 3.29Å
154	P	44.8	Very low	47.7	Very low	36 Å²	36	53 Å²	53	23%	0.234	28%	0.277	C	S	.	.			trans	-71.9	142.8	-178.3	28	-34.3	0	0	0	111.5	T126 K128 P156	T126-P154 WeakPolarHBondContact O-CD 2.99Å; T126-P154 WeakPolarHBondContact O-CG 3.4Å; K128-P154 HydrophobicContact CB-CB 3.87Å; K128-P154 HydrophobicContact CB-CG 4.01Å; K128-P154 HydrophobicContact CG-CB 4.42Å; P154-P156 WeakPolarHBondContact O-CD 3.35Å; P154-P156 VanDerWaalsContact O-N 3.16Å
155	K	47.3	Very low	47.8	Very low	94 Å²	94	53.6 Å²	53.6	41%	0.409	29%	0.285	S	S	.	.			trans	-57.6	109.3	177.3	-170.7	174	-177.8	167	0	111.3	K128 P181 K182	K128-K155 WeakPolarHBondContact CE-O 3.04Å; K155-P181 HydrophobicContact CB-CB 4.1Å; K155-P181 HydrophobicContact CB-CG 3.78Å; K155-P181 HydrophobicContact CD-CB 4.44Å; K155-P181 HydrophobicContact CG-CB 4.47Å; K155-K182 WeakPolarHBondContact CE-O 3.43Å
156	P	48.9	Very low	47.5	Very low	3 Å²	3	52.3 Å²	52.3	2%	0.019	28%	0.281	C	S	.	.			trans	-81.7	148.5	171.6	-0	20.5	0	0	0	109	I135 P154 P159	I135-P156 HydrophobicContact CD1-CB 4.34Å; I135-P156 HydrophobicContact CD1-CG 3.56Å; P154-P156 WeakPolarHBondContact O-CD 3.35Å; P154-P156 VanDerWaalsContact O-N 3.16Å; P156-P159 HydrophobicContact CB-CB 4.35Å; P156-P159 HydrophobicContact CB-CG 3.99Å; P156-P159 HydrophobicContact CG-CB 4.31Å; P156-P159 HydrophobicContact CG-CG 3.89Å
157	T	53.1	Low	47.5	Very low	75 Å²	75	51.8 Å²	51.8	46%	0.46	28%	0.28	S	S	.	.	S	Bend	trans	-70.9	-32.6	-179.3	30.9	0	0	0	0	112.8	T130	T130-T157 PolarHBondContact O-OG1 2.99Å
158	T	52.4	Low	47.1	Very low	78 Å²	78	55.9 Å²	55.9	48%	0.479	30%	0.303	S	S	.	.			trans	-155	61.4	-173.5	6.8	0	0	0	0	114.1
159	P	51.1	Low	46.9	Very low	3 Å²	3	55.6 Å²	55.6	2%	0.019	30%	0.295	C	S	.	.			trans	-77.2	135.6	170.8	31.7	-27.2	0	0	0	110.4	P132 P156 I162 P183	P132-P159 WeakPolarHBondContact O-CA 3.41Å; P156-P159 HydrophobicContact CB-CB 4.35Å; P156-P159 HydrophobicContact CB-CG 3.99Å; P156-P159 HydrophobicContact CG-CB 4.31Å; P156-P159 HydrophobicContact CG-CG 3.89Å; P159-I162 HydrophobicContact CB-CD1 4.28Å; P159-I162 HydrophobicContact CB-CG1 3.87Å; P159-I162 HydrophobicContact CG-CD1 3.71Å; P159-I162 HydrophobicContact CG-CG1 3.85Å; P159-P183 HydrophobicContact CG-CB 4.34Å; P159-P183 HydrophobicContact CG-CG 4.32Å
160	K	50.5	Low	46.4	Very low	127 Å²	127	59.4 Å²	59.4	55%	0.552	32%	0.32	S	S	*	.	S	Bend	trans	-74.3	-38.1	174.4	-73.5	-173.5	174.3	-173.9	0	111.5	K133	K133-K160 WeakPolarHBondContact O-CA 3.29Å; K133-K160 VanDerWaalsContact O-CB 3.29Å; K133-K160 WeakPolarHBondContact O-CB 3.47Å; K133-K160 PolarHBondContact O-N 3.27Å
161	Q	47.5	Very low	46.2	Very low	59 Å²	59	55.2 Å²	55.2	28%	0.276	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	138.9	176.7	-67.4	175.2	-41.5	0	0	109.6	K133 Q134 I135 Q188	K133-Q161 PolarHBondContact O-N 3.1Å; Q134-Q161 WeakPolarHBondContact CA-O 3.01Å; Q134-Q161 HydrophobicContact CG-CB 4.25Å; I135-Q161 PolarHBondContact N-O 3.28Å; Q161-Q188 HydrophobicContact CG-CB 4.41Å
162	I	50.8	Low	45.8	Very low	18 Å²	18	61 Å²	61	9%	0.092	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123	169.8	-57.4	175.2	0	0	0	105.1	I135 P159 P183	I135-I162 WeakPolarHBondContact O-CA 3.47Å; P159-I162 HydrophobicContact CB-CD1 4.28Å; P159-I162 HydrophobicContact CB-CG1 3.87Å; P159-I162 HydrophobicContact CG-CD1 3.71Å; P159-I162 HydrophobicContact CG-CG1 3.85Å; I162-P183 HydrophobicContact CD1-CG 3.58Å
163	N	47.2	Very low	45.4	Very low	57 Å²	57	63 Å²	63	31%	0.305	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	123.2	171.1	-61.3	-41.8	0	0	0	108.8	I135 N136 D137	I135-N163 PolarHBondContact O-N 3.42Å; N136-N163 WeakPolarHBondContact OD1-CB 3.42Å; N136-N163 PolarHBondContact OD1-ND2 3.02Å; D137-N163 PolarHBondContact N-O 3.47Å
164	D	50.2	Low	45	Very low	39 Å²	39	65.2 Å²	65.2	21%	0.209	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-85.5	126.2	175.4	-81.8	-37	0	0	0	109.9	R178	D164-R178 VanDerWaalsContact CB-NH2 3.34Å; D164-R178 IonicContact OD1-CZ 3.39Å; D164-R178 IonicContact OD1-NH1 3.09Å; D164-R178 PolarHBondContact OD1-NH1 3.4Å; D164-R178 VanDerWaalsContact OD1-NH1 3.09Å; D164-R178 IonicContact OD1-NH2 2.79Å; D164-R178 PolarHBondContact OD1-NH2 2.94Å; D164-R178 IonicContact OD2-CZ 3.61Å; D164-R178 IonicContact OD2-NH1 2.73Å; D164-R178 PolarHBondContact OD2-NH1 2.96Å; D164-R178 IonicContact OD2-NH2 3.68Å
165	G	43.7	Very low	44.6	Very low	21 Å²	21	67.6 Å²	67.6	22%	0.216	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-63.9	138.6	174.7	0	0	0	0	0	112	D137	D137-G165 WeakPolarHBondContact O-CA 3.27Å; D137-G165 PolarHBondContact O-N 3.1Å
166	T	43.5	Very low	44.3	Very low	79 Å²	79	67.7 Å²	67.7	49%	0.485	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-69.7	154.3	166.4	49.4	0	0	0	0	111.2	T139 S140	T139-T166 WeakPolarHBondContact CA-O 3.49Å; T139-T166 WeakPolarHBondContact CB-O 3.49Å; T139-T166 WeakPolarHBondContact CG2-O 3.31Å; T139-T166 WeakPolarHBondContact CG2-OG1 3.19Å; S140-T166 PolarHBondContact N-O 3.34Å
167	S	42.3	Very low	43.7	Very low	54 Å²	54	74.4 Å²	74.4	38%	0.378	41%	0.408	S	S	.	.			trans	-138.5	107.7	175.1	-178.5	0	0	0	0	106.7	S140	S140-S167 WeakPolarHBondContact O-CA 3.45Å; S140-S167 WeakPolarHBondContact O-CB 3.36Å; S140-S167 PolarHBondContact O-OG 3.5Å
168	D	37.6	Very low	43.1	Very low	110 Å²	110	75.3 Å²	75.3	59%	0.588	40%	0.403	S	S	*	.			trans	-90.6	136.2	176.3	-64.9	-23.3	0	0	0	108.5	D141	D141-D168 PolarHBondContact OD1-N 3.31Å
169	K	41	Very low	42.4	Very low	72 Å²	72	75.6 Å²	75.6	31%	0.313	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-136.6	142.1	-170.1	-67.2	-169.4	175.2	-167.4	0	112.8	H174 I176	K169-H174 PolarHBondContact NZ-ND1 3Å; K169-I176 VanDerWaalsContact NZ-CD1 3.33Å
170	T	34.7	Very low	42.2	Very low	105 Å²	105	78.4 Å²	78.4	64%	0.644	42%	0.421	S	S	*	.			trans	-134.3	81.2	167.3	43.7	0	0	0	0	109.6	T143	T143-T170 VanDerWaalsContact CG2-OG1 3.31Å; T143-T170 WeakPolarHBondContact CG2-OG1 3.19Å
171	S	36.8	Very low	41.7	Very low	31 Å²	31	75 Å²	75	22%	0.217	41%	0.412	C	S	.	.			trans	-171.3	167	160.3	82.7	0	0	0	0	113.7	S144 H174	S144-S171 VanDerWaalsContact O-CB 3.28Å; S144-S171 WeakPolarHBondContact O-CB 3.38Å; S144-S171 PolarHBondContact O-OG 3.18Å; S171-H174 PolarHBondContact O-CD2 2.96Å; S171-H174 PolarHBondContact OG-NE2 3.49Å
172	D	42.5	Very low	41.5	Very low	157 Å²	157	80 Å²	80	84%	0.84	43%	0.433	S	S	*	.	S	Bend	trans	-85.3	-19.1	-147.9	-68.1	-28.4	0	0	0	117.8
173	T	36.2	Very low	41.2	Very low	91 Å²	91	79.8 Å²	79.8	56%	0.558	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.2	119.6	179.5	58.9	0	0	0	0	114.7
174	H	43	Very low	41.3	Very low	61 Å²	61	82 Å²	82	28%	0.282	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	143.3	-176.2	-68.3	-79.8	0	0	0	113.8	K169 S171	K169-H174 PolarHBondContact NZ-ND1 3Å; S171-H174 PolarHBondContact O-CD2 2.96Å; S171-H174 PolarHBondContact OG-NE2 3.49Å
175	T	36.1	Very low	41.1	Very low	86 Å²	86	84.8 Å²	84.8	53%	0.528	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	113	160.5	-64.8	0	0	0	0	109.4	K177	T175-K177 HydrophobicContact CG2-CG 4.29Å
176	I	40.9	Very low	41.2	Very low	96 Å²	96	85.4 Å²	85.4	49%	0.492	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	120.9	172.3	-53.8	176.3	0	0	0	108.1	K169 R178	K169-I176 VanDerWaalsContact NZ-CD1 3.33Å; I176-R178 HydrophobicContact CG2-CB 4.44Å
177	K	36.1	Very low	41.4	Very low	144 Å²	144	90.5 Å²	90.5	63%	0.626	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	101.5	167.1	-73	-173.5	180	-179	0	108.8	T175	T175-K177 HydrophobicContact CG2-CG 4.29Å
178	R	41.8	Very low	41.3	Very low	94 Å²	94	92.9 Å²	92.9	36%	0.355	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	122	177.4	-153.8	175	-164	-82.6	-4.7	108.3	D164 I176 T180	D164-R178 VanDerWaalsContact CB-NH2 3.34Å; D164-R178 IonicContact OD1-CZ 3.39Å; D164-R178 IonicContact OD1-NH1 3.09Å; D164-R178 PolarHBondContact OD1-NH1 3.4Å; D164-R178 VanDerWaalsContact OD1-NH1 3.09Å; D164-R178 IonicContact OD1-NH2 2.79Å; D164-R178 PolarHBondContact OD1-NH2 2.94Å; D164-R178 IonicContact OD2-CZ 3.61Å; D164-R178 IonicContact OD2-NH1 2.73Å; D164-R178 PolarHBondContact OD2-NH1 2.96Å; D164-R178 IonicContact OD2-NH2 3.68Å; I176-R178 HydrophobicContact CG2-CB 4.44Å; R178-T180 PolarHBondContact NH1-OG1 3.44Å
179	T	38	Very low	41.5	Very low	84 Å²	84	91.4 Å²	91.4	52%	0.515	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	103.2	174.8	52.5	0	0	0	0	108.5
180	T	46.4	Very low	41.4	Very low	62 Å²	62	92.2 Å²	92.2	38%	0.38	49%	0.487	S	S	.	.			trans	-104.6	106.4	173.1	-52.3	0	0	0	0	108	R178 K182	R178-T180 PolarHBondContact NH1-OG1 3.44Å; T180-K182 PolarHBondContact O-N 3.45Å
181	P	39	Very low	41.5	Very low	54 Å²	54	92.9 Å²	92.9	35%	0.351	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-69.7	122.2	175.5	25	-29.9	0	0	0	110.3	T153 K155 P183	T153-P181 WeakPolarHBondContact O-CD 3.29Å; K155-P181 HydrophobicContact CB-CB 4.1Å; K155-P181 HydrophobicContact CB-CG 3.78Å; K155-P181 HydrophobicContact CD-CB 4.44Å; K155-P181 HydrophobicContact CG-CB 4.47Å; P181-P183 WeakPolarHBondContact O-CD 3.37Å
182	K	44.7	Very low	41.2	Very low	166 Å²	166	94.3 Å²	94.3	72%	0.722	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-52.9	121.7	176.6	-163.3	169.6	-176.2	170.5	0	110.2	K155 T180	K155-K182 WeakPolarHBondContact CE-O 3.43Å; T180-K182 PolarHBondContact O-N 3.45Å
183	P	44.2	Very low	40.6	Very low	13 Å²	13	93.3 Å²	93.3	8%	0.084	51%	0.505	C	S	.	.	P	Polyproline II helix	trans	-65.7	153.1	174.7	-10.6	22.2	0	0	0	110.1	P159 I162 P181 T185 P186	P159-P183 HydrophobicContact CG-CB 4.34Å; P159-P183 HydrophobicContact CG-CG 4.32Å; I162-P183 HydrophobicContact CD1-CG 3.58Å; P181-P183 WeakPolarHBondContact O-CD 3.37Å; P183-T185 VanDerWaalsContact C-N 3.25Å; P183-T185 PolarHBondContact O-N 3.23Å; P183-P186 HydrophobicContact CB-CB 4.26Å; P183-P186 HydrophobicContact CB-CG 3.99Å; P183-P186 HydrophobicContact CG-CB 4.05Å; P183-P186 HydrophobicContact CG-CG 3.88Å; P183-P186 WeakPolarHBondContact O-CD 3.35Å
184	T	49	Very low	40.3	Very low	104 Å²	104	93.9 Å²	93.9	64%	0.638	51%	0.513	S	S	*	.	S	Bend	trans	-70.2	-21.1	177.7	31.8	0	0	0	0	112.9
185	T	46.1	Very low	39.8	Very low	97 Å²	97	98.4 Å²	98.4	60%	0.595	54%	0.539	S	S	*	.	S	Bend	trans	-156	63	179.9	-25	0	0	0	0	114.3	P183	P183-T185 VanDerWaalsContact C-N 3.25Å; P183-T185 PolarHBondContact O-N 3.23Å
186	P	45	Very low	39.6	Very low	34 Å²	34	102.9 Å²	102.9	22%	0.221	55%	0.552	C	S	.	*			trans	-80.5	136.8	169.1	31	-25.3	0	0	0	110.4	P183 I189	P183-P186 HydrophobicContact CB-CB 4.26Å; P183-P186 HydrophobicContact CB-CG 3.99Å; P183-P186 HydrophobicContact CG-CB 4.05Å; P183-P186 HydrophobicContact CG-CG 3.88Å; P183-P186 WeakPolarHBondContact O-CD 3.35Å; P186-I189 HydrophobicContact CB-CD1 4.49Å; P186-I189 HydrophobicContact CB-CG1 4.02Å; P186-I189 HydrophobicContact CG-CD1 3.72Å; P186-I189 HydrophobicContact CG-CG1 3.79Å
187	K	48.1	Very low	39.1	Very low	186 Å²	186	101.1 Å²	101.1	81%	0.809	55%	0.546	S	S	*	.	S	Bend	trans	-81.1	-20.5	176.3	-82.4	-169.5	176.2	-172.7	0	113.6
188	Q	40.9	Very low	39.4	Very low	104 Å²	104	104 Å²	104	49%	0.486	56%	0.559	S	S	.	*			trans	-154	125.8	177.1	-104.2	175.5	-33.8	0	0	108.5	Q161	Q161-Q188 HydrophobicContact CG-CB 4.41Å
189	I	40.8	Very low	39.3	Very low	79 Å²	79	101.4 Å²	101.4	41%	0.405	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.4	111.5	166.9	-58.2	174.4	0	0	0	104.1	P186 D191	P186-I189 HydrophobicContact CB-CD1 4.49Å; P186-I189 HydrophobicContact CB-CG1 4.02Å; P186-I189 HydrophobicContact CG-CD1 3.72Å; P186-I189 HydrophobicContact CG-CG1 3.79Å; I189-D191 WeakPolarHBondContact CG2-OD1 3.47Å
190	N	38.7	Very low	39.2	Very low	88 Å²	88	101.1 Å²	101.1	47%	0.471	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	92.4	168.7	-79.4	-1.6	0	0	0	106.7	G192	N190-G192 PolarHBondContact O-N 3.19Å
191	D	37.4	Very low	38.7	Very low	120 Å²	120	100.1 Å²	100.1	64%	0.642	55%	0.548	S	S	*	.			trans	-63.7	126.5	161.9	-65.5	-31.8	0	0	0	106.2	I189 T193	I189-D191 WeakPolarHBondContact CG2-OD1 3.47Å; D191-T193 PolarHBondContact O-N 3.12Å
192	G	30	Very low	38.4	Very low	60 Å²	60	100.4 Å²	100.4	62%	0.619	55%	0.546	S	S	*	.	S	Bend	trans	-53.1	99.5	-170.7	0	0	0	0	0	112.8	N190	N190-G192 PolarHBondContact O-N 3.19Å
193	T	30.6	Very low	38	Very low	136 Å²	136	97.2 Å²	97.2	83%	0.834	54%	0.537	S	S	*	.			trans	178.3	84.7	155.7	17	0	0	0	0	106.4	D191	D191-T193 PolarHBondContact O-N 3.12Å
194	S	30	Very low	37.8	Very low	104 Å²	104	98.8 Å²	98.8	73%	0.727	54%	0.542	S	S	*	.			trans	-158	102.7	160.9	-175.1	0	0	0	0	107.6	K196	S194-K196 VanDerWaalsContact C-N 3.33Å; S194-K196 PolarHBondContact O-N 3.47Å
195	D	31.8	Very low	37.4	Very low	155 Å²	155	98.7 Å²	98.7	83%	0.829	54%	0.537	S	S	*	.			trans	-51.8	94.9	171.9	-60.9	-53.9	0	0	0	109.5
196	K	32.2	Very low	37	Very low	180 Å²	180	99.6 Å²	99.6	78%	0.783	54%	0.537	S	S	*	.			trans	-62.6	127.3	152.1	-115.6	174.9	-178.7	173.4	0	105.3	S194 K198	S194-K196 VanDerWaalsContact C-N 3.33Å; S194-K196 PolarHBondContact O-N 3.47Å; K196-K198 PolarHBondContact O-N 3.03Å
197	P	31	Very low	36.7	Very low	59 Å²	59	104 Å²	104	38%	0.383	56%	0.559	S	S	.	*			trans	-55.9	109.1	180	22.4	-32.5	0	0	0	108.1	S199 D202 I203	P197-S199 VanDerWaalsContact C-N 3.29Å; P197-D202 VanDerWaalsContact CA-CB 3.41Å; P197-D202 WeakPolarHBondContact CA-OD2 3.45Å; P197-D202 HydrophobicContact CB-CB 3.3Å; P197-I203 HydrophobicContact CB-CG1 3.96Å; P197-I203 HydrophobicContact CG-CG1 4.13Å
198	K	42.2	Very low	36.5	Very low	205 Å²	205	103.6 Å²	103.6	89%	0.891	56%	0.557	S	S	*	*			trans	-80.3	-22.3	179.5	-78.7	-177.8	-179.3	173.2	0	110	K196 D202	K196-K198 PolarHBondContact O-N 3.03Å; K198-D202 PolarHBondContact N-OD2 3Å
199	S	38.5	Very low	36.5	Very low	40 Å²	40	101.7 Å²	101.7	28%	0.28	55%	0.554	S	S	.	*	S	Bend	trans	-130.3	155.8	-179.5	168.8	0	0	0	0	111.2	P197 A201 D202	P197-S199 VanDerWaalsContact C-N 3.29Å; S199-A201 PolarHBondContact O-N 3.23Å; S199-A201 VanDerWaalsContact O-N 3.15Å; S199-A201 PolarHBondContact OG-N 2.86Å; S199-D202 PolarHBondContact N-OD2 2.9Å; S199-D202 WeakPolarHBondContact O-CB 3.2Å; S199-D202 PolarHBondContact O-N 3.49Å
200	I	37.4	Very low	36.7	Very low	77 Å²	77	108.4 Å²	108.4	40%	0.395	58%	0.58	S	S	.	*	H	α-helix	trans	-50.8	-35.3	171.4	-69	173.1	0	0	0	110.5	D202 I203 F204 V227	I200-D202 PolarHBondContact O-N 3.24Å; I200-I203 PolarHBondContact O-N 2.94Å; I200-I203 VanDerWaalsContact O-N 3.17Å; I200-F204 HydrophobicContact CG2-CD2 4.1Å; I200-F204 HydrophobicContact CG2-CE2 3.7Å; I200-F204 VanDerWaalsContact O-CD2 3.22Å; I200-F204 WeakPolarHBondContact O-CD2 3.45Å; I200-V227 HydrophobicContact CG2-CG1 4.41Å
201	A	35	Very low	36.8	Very low	42 Å²	42	107.7 Å²	107.7	35%	0.347	58%	0.578	S	S	.	*	H	α-helix	trans	-56.7	-38.7	176.9	0	0	0	0	0	112.5	S199 I203 F204 L205	S199-A201 PolarHBondContact O-N 3.23Å; S199-A201 VanDerWaalsContact O-N 3.15Å; S199-A201 PolarHBondContact OG-N 2.86Å; A201-I203 VanDerWaalsContact C-N 3.32Å; A201-I203 PolarHBondContact O-N 3.02Å; A201-F204 PolarHBondContact O-N 2.8Å; A201-F204 VanDerWaalsContact O-N 3.13Å; A201-L205 WeakPolarHBondContact O-CD1 3.31Å; A201-L205 PolarHBondContact O-N 3.36Å
202	D	32.5	Very low	37.3	Very low	59 Å²	59	105 Å²	105	32%	0.316	57%	0.567	S	S	.	*	H	α-helix	trans	-69	-30	-178	-64.2	-26.5	0	0	0	112.1	P197 K198 S199 I200 F204 L205 I206	P197-D202 VanDerWaalsContact CA-CB 3.41Å; P197-D202 WeakPolarHBondContact CA-OD2 3.45Å; P197-D202 HydrophobicContact CB-CB 3.3Å; K198-D202 PolarHBondContact N-OD2 3Å; S199-D202 PolarHBondContact N-OD2 2.9Å; S199-D202 WeakPolarHBondContact O-CB 3.2Å; S199-D202 PolarHBondContact O-N 3.49Å; I200-D202 PolarHBondContact O-N 3.24Å; D202-F204 PolarHBondContact O-N 2.97Å; D202-L205 PolarHBondContact O-N 3.24Å; D202-I206 VanDerWaalsContact O-CG1 3.3Å; D202-I206 WeakPolarHBondContact O-CG1 3.22Å
203	I	36.8	Very low	38.3	Very low	100 Å²	100	104.2 Å²	104.2	51%	0.513	55%	0.549	S	S	.	.	H	α-helix	trans	-61.7	-34.8	174.9	-61.1	176.7	0	0	0	110.3	P197 I200 A201	P197-I203 HydrophobicContact CB-CG1 3.96Å; P197-I203 HydrophobicContact CG-CG1 4.13Å; I200-I203 PolarHBondContact O-N 2.94Å; I200-I203 VanDerWaalsContact O-N 3.17Å; A201-I203 VanDerWaalsContact C-N 3.32Å; A201-I203 PolarHBondContact O-N 3.02Å
204	F	40.5	Very low	39.3	Very low	46 Å²	46	104.6 Å²	104.6	20%	0.202	54%	0.535	C	S	.	.	H	α-helix	trans	-89.7	-26.3	-176.7	-65.6	-73.1	0	0	0	113.5	I200 A201 D202 I206 E224 V227	I200-F204 HydrophobicContact CG2-CD2 4.1Å; I200-F204 HydrophobicContact CG2-CE2 3.7Å; I200-F204 VanDerWaalsContact O-CD2 3.22Å; I200-F204 WeakPolarHBondContact O-CD2 3.45Å; A201-F204 PolarHBondContact O-N 2.8Å; A201-F204 VanDerWaalsContact O-N 3.13Å; D202-F204 PolarHBondContact O-N 2.97Å; F204-I206 PolarHBondContact O-N 2.93Å; F204-E224 HydrophobicContact CB-CG 4.48Å; F204-E224 HydrophobicContact CD1-CG 3.71Å; F204-E224 HydrophobicContact CE1-CG 4.12Å; F204-E224 HydrophobicContact CG-CG 4.12Å; F204-V227 HydrophobicContact CE2-CG1 4.02Å; F204-V227 HydrophobicContact CZ-CG1 4.06Å
205	L	40.7	Very low	39.9	Very low	101 Å²	101	103 Å²	103	53%	0.529	52%	0.518	S	S	.	.	H	α-helix	trans	-70.1	-17.2	173.1	-94.1	83.7	0	0	0	113.9	A201 D202 N207	A201-L205 WeakPolarHBondContact O-CD1 3.31Å; A201-L205 PolarHBondContact O-N 3.36Å; D202-L205 PolarHBondContact O-N 3.24Å; L205-N207 PolarHBondContact O-N 3.22Å; L205-N207 VanDerWaalsContact O-N 3.11Å
206	I	36.9	Very low	40.8	Very low	117 Å²	117	99 Å²	99	60%	0.6	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-28.6	-176.4	-75.8	162.6	0	0	0	112.4	D202 F204	D202-I206 VanDerWaalsContact O-CG1 3.3Å; D202-I206 WeakPolarHBondContact O-CG1 3.22Å; F204-I206 PolarHBondContact O-N 2.93Å
207	N	38	Very low	41.7	Very low	127 Å²	127	93.1 Å²	93.1	68%	0.679	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.3	79.8	176.8	-76.3	-19.2	0	0	0	109.9	L205 P209	L205-N207 PolarHBondContact O-N 3.22Å; L205-N207 VanDerWaalsContact O-N 3.11Å; N207-P209 WeakPolarHBondContact O-CD 3.04Å
208	K	45.5	Very low	42.8	Very low	176 Å²	176	92.7 Å²	92.7	77%	0.765	47%	0.473	S	S	*	.			trans	-63.1	97.9	159.2	-69.7	-174.3	-179.2	179.1	0	107.5
209	P	39.9	Very low	43.3	Very low	65 Å²	65	85.9 Å²	85.9	42%	0.422	45%	0.446	S	S	.	.			trans	-73.3	142.3	179.4	16.9	-0	0	0	0	107.5	N207 V211 L213	N207-P209 WeakPolarHBondContact O-CD 3.04Å; P209-V211 WeakPolarHBondContact CB-O 2.95Å; P209-V211 PolarHBondContact O-N 3.3Å; P209-L213 HydrophobicContact CG-CD1 3.4Å; P209-L213 VanDerWaalsContact CG-CD1 3.4Å; P209-L213 HydrophobicContact CG-CD2 4.39Å; P209-L213 HydrophobicContact CG-CG 3.55Å
210	K	45.4	Very low	44.2	Very low	220 Å²	220	89.2 Å²	89.2	96%	0.957	45%	0.453	S	S	*	.	S	Bend	trans	-59.2	-17	177.6	-73.7	-179.4	177.7	176.1	0	113.1
211	V	40.2	Very low	45.1	Very low	72 Å²	72	88.4 Å²	88.4	44%	0.436	45%	0.446	S	S	.	.	S	Bend	trans	-117.7	133.6	176.1	-171.9	0	0	0	0	108.1	P209 L213 I215 V216	P209-V211 WeakPolarHBondContact CB-O 2.95Å; P209-V211 PolarHBondContact O-N 3.3Å; V211-L213 PolarHBondContact O-N 3.2Å; V211-I215 HydrophobicContact CG1-CB 4.32Å; V211-I215 HydrophobicContact CG1-CD1 4.44Å; V211-I215 HydrophobicContact CG1-CG2 4.47Å; V211-V216 HydrophobicContact CB-CG2 3.98Å; V211-V216 HydrophobicContact CG1-CG2 3.71Å
212	P	47.4	Very low	46.1	Very low	63 Å²	63	89.4 Å²	89.4	41%	0.409	44%	0.444	S	S	.	.			trans	-53.7	128.3	175.9	-23.2	30.4	0	0	0	111.6	W214 I215	P212-W214 HydrophobicContact CB-CG 4.25Å; P212-W214 PolarHBondContact O-N 3.5Å; P212-W214 VanDerWaalsContact O-N 3.12Å; P212-I215 HydrophobicContact CB-CD1 4.24Å; P212-I215 HydrophobicContact CB-CG1 4.3Å; P212-I215 HydrophobicContact CG-CD1 4.03Å; P212-I215 WeakPolarHBondContact O-CB 3.31Å; P212-I215 PolarHBondContact O-N 3.11Å
213	L	50.7	Low	47.2	Very low	44 Å²	44	88 Å²	88	23%	0.23	44%	0.438	C	S	.	.	H	α-helix	trans	-57.7	-28.1	-177.2	-86.4	141.9	0	0	0	113.3	P209 V211 I215 V216 N217 Y220 Y221 E224	P209-L213 HydrophobicContact CG-CD1 3.4Å; P209-L213 VanDerWaalsContact CG-CD1 3.4Å; P209-L213 HydrophobicContact CG-CD2 4.39Å; P209-L213 HydrophobicContact CG-CG 3.55Å; V211-L213 PolarHBondContact O-N 3.2Å; L213-I215 PolarHBondContact O-N 3.17Å; L213-V216 PolarHBondContact O-N 3.32Å; L213-N217 CarbonylContact O-C 3.26Å; L213-N217 VanDerWaalsContact O-C 3.24Å; L213-N217 PolarHBondContact O-N 2.75Å; L213-N217 VanDerWaalsContact O-O 3.09Å; L213-Y220 HydrophobicContact CD1-CE1 4.37Å; L213-Y220 HydrophobicContact CD2-CD1 3.59Å; L213-Y220 HydrophobicContact CD2-CE1 3.79Å; L213-Y221 HydrophobicContact CB-CD2 4.14Å; L213-E224 WeakPolarHBondContact CD1-OE2 3.02Å
214	W	52.7	Low	48	Very low	145 Å²	145	84.3 Å²	84.3	55%	0.549	42%	0.418	S	S	.	.	H	α-helix	trans	-64.1	-26.5	177	69	-96.3	0	0	0	113.5	P212 Y221	P212-W214 HydrophobicContact CB-CG 4.25Å; P212-W214 PolarHBondContact O-N 3.5Å; P212-W214 VanDerWaalsContact O-N 3.12Å; W214-Y221 HydrophobicContact CB-CD1 3.6Å; W214-Y221 HydrophobicContact CB-CD2 4.05Å; W214-Y221 HydrophobicContact CB-CE1 4Å; W214-Y221 HydrophobicContact CB-CE2 4.4Å; W214-Y221 HydrophobicContact CB-CG 3.61Å
215	I	42.9	Very low	48.9	Very low	69 Å²	69	84.5 Å²	84.5	35%	0.354	42%	0.419	S	S	.	.	H	α-helix	trans	-78.8	-42.2	176.2	-58.5	178.5	0	0	0	110.2	V211 P212 L213	V211-I215 HydrophobicContact CG1-CB 4.32Å; V211-I215 HydrophobicContact CG1-CD1 4.44Å; V211-I215 HydrophobicContact CG1-CG2 4.47Å; P212-I215 HydrophobicContact CB-CD1 4.24Å; P212-I215 HydrophobicContact CB-CG1 4.3Å; P212-I215 HydrophobicContact CG-CD1 4.03Å; P212-I215 WeakPolarHBondContact O-CB 3.31Å; P212-I215 PolarHBondContact O-N 3.11Å; L213-I215 PolarHBondContact O-N 3.17Å
216	V	49.5	Very low	49.7	Very low	73 Å²	73	82 Å²	82	44%	0.442	40%	0.404	S	S	.	.	H	α-helix	trans	-80.3	-38.4	-173.2	-174.5	0	0	0	0	111.2	V211 L213	V211-V216 HydrophobicContact CB-CG2 3.98Å; V211-V216 HydrophobicContact CG1-CG2 3.71Å; L213-V216 PolarHBondContact O-N 3.32Å
217	N	52.1	Low	50.6	Low	56 Å²	56	77.5 Å²	77.5	30%	0.299	38%	0.381	S	S	.	.			trans	-155.4	86.9	-178.8	-170.4	-18.7	0	0	0	109.9	L213 L219 Y220 Y221	L213-N217 CarbonylContact O-C 3.26Å; L213-N217 VanDerWaalsContact O-C 3.24Å; L213-N217 PolarHBondContact O-N 2.75Å; L213-N217 VanDerWaalsContact O-O 3.09Å; N217-L219 PolarHBondContact O-N 3.45Å; N217-L219 PolarHBondContact OD1-N 2.72Å; N217-Y220 VanDerWaalsContact CG-CB 3.44Å; N217-Y220 PolarHBondContact O-N 3.24Å; N217-Y220 VanDerWaalsContact O-N 3.15Å; N217-Y220 PolarHBondContact OD1-N 2.8Å; N217-Y221 PolarHBondContact O-N 3.29Å
218	P	55	Low	51.5	Low	49 Å²	49	74 Å²	74	32%	0.318	36%	0.361	S	S	.	.	H	α-helix	trans	-59.2	-33.7	-177.7	21	-31.7	0	0	0	112.6	Y221 M222	P218-Y221 PolarHBondContact O-N 3.11Å; P218-M222 WeakPolarHBondContact O-CG 3.28Å; P218-M222 PolarHBondContact O-N 2.53Å
219	L	51.2	Low	51.9	Low	62 Å²	62	69.7 Å²	69.7	33%	0.325	35%	0.346	S	S	.	.	H	α-helix	trans	-66.2	-48.4	175.4	-82	96.9	0	0	0	111.5	N217 Y221 M222 V223	N217-L219 PolarHBondContact O-N 3.45Å; N217-L219 PolarHBondContact OD1-N 2.72Å; L219-Y221 VanDerWaalsContact C-N 3.27Å; L219-Y221 PolarHBondContact O-N 3.12Å; L219-M222 HydrophobicContact CG-CE 4.42Å; L219-M222 PolarHBondContact O-N 3.36Å; L219-M222 VanDerWaalsContact O-N 3.09Å; L219-V223 WeakPolarHBondContact O-CG2 3.05Å; L219-V223 PolarHBondContact O-N 2.99Å
220	Y	57.5	Low	52.4	Low	111 Å²	111	69.4 Å²	69.4	44%	0.435	34%	0.339	S	S	.	.	H	α-helix	trans	-58.5	-43	177.3	-178.1	-82.6	0	0	0	111.2	L213 N217 M222 V223 E224	L213-Y220 HydrophobicContact CD1-CE1 4.37Å; L213-Y220 HydrophobicContact CD2-CD1 3.59Å; L213-Y220 HydrophobicContact CD2-CE1 3.79Å; N217-Y220 VanDerWaalsContact CG-CB 3.44Å; N217-Y220 PolarHBondContact O-N 3.24Å; N217-Y220 VanDerWaalsContact O-N 3.15Å; N217-Y220 PolarHBondContact OD1-N 2.8Å; Y220-M222 VanDerWaalsContact C-N 3.33Å; Y220-M222 PolarHBondContact O-N 3Å; Y220-V223 PolarHBondContact O-N 3.38Å; Y220-E224 HydrophobicContact CE1-CB 4.38Å; Y220-E224 WeakPolarHBondContact O-CB 3.4Å; Y220-E224 PolarHBondContact O-N 3.19Å
221	Y	57.5	Low	52.6	Low	60 Å²	60	59.3 Å²	59.3	24%	0.235	30%	0.298	C	S	.	.	H	α-helix	trans	-59.6	-42.9	175.4	179.4	-101.1	0	0	0	112	L213 W214 N217 P218 L219 E224 K225 Y248	L213-Y221 HydrophobicContact CB-CD2 4.14Å; W214-Y221 HydrophobicContact CB-CD1 3.6Å; W214-Y221 HydrophobicContact CB-CD2 4.05Å; W214-Y221 HydrophobicContact CB-CE1 4Å; W214-Y221 HydrophobicContact CB-CE2 4.4Å; W214-Y221 HydrophobicContact CB-CG 3.61Å; N217-Y221 PolarHBondContact O-N 3.29Å; P218-Y221 PolarHBondContact O-N 3.11Å; L219-Y221 VanDerWaalsContact C-N 3.27Å; L219-Y221 PolarHBondContact O-N 3.12Å; Y221-E224 PolarHBondContact O-N 3.26Å; Y221-K225 HydrophobicContact CD1-CG 4.25Å; Y221-K225 HydrophobicContact CE1-CG 3.89Å; Y221-K225 HydrophobicContact CE2-CD 4.43Å; Y221-K225 VanDerWaalsContact CE2-CE 3.45Å; Y221-K225 HydrophobicContact CE2-CG 4.2Å; Y221-K225 VanDerWaalsContact CZ-CE 3.43Å; Y221-K225 WeakPolarHBondContact O-CB 3.38Å; Y221-K225 VanDerWaalsContact O-CG 3.31Å; Y221-K225 WeakPolarHBondContact O-CG 3.36Å; Y221-K225 PolarHBondContact O-N 3.3Å; Y221-K225 VanDerWaalsContact OH-CE 3.26Å; Y221-K225 WeakPolarHBondContact OH-CE 3.37Å; Y221-Y248 PolarHBondContact OH-OH 2.74Å; Y221-Y248 VanDerWaalsContact OH-OH 3.06Å
222	M	55.1	Low	53	Low	62 Å²	62	60.4 Å²	60.4	31%	0.305	30%	0.295	S	S	.	.	H	α-helix	trans	-64.1	-40.8	175.5	-74.7	-168.5	-75.6	0	0	112.4	I15 I16 P218 L219 Y220 K225 F226	I15-M222 HydrophobicContact CG2-SD 4.16Å; I16-M222 HydrophobicContact CG1-CE 4.24Å; P218-M222 WeakPolarHBondContact O-CG 3.28Å; P218-M222 PolarHBondContact O-N 2.53Å; L219-M222 HydrophobicContact CG-CE 4.42Å; L219-M222 PolarHBondContact O-N 3.36Å; L219-M222 VanDerWaalsContact O-N 3.09Å; Y220-M222 VanDerWaalsContact C-N 3.33Å; Y220-M222 PolarHBondContact O-N 3Å; M222-K225 PolarHBondContact O-N 2.8Å; M222-F226 VanDerWaalsContact O-CB 3.31Å; M222-F226 WeakPolarHBondContact O-CB 3.18Å; M222-F226 PolarHBondContact O-N 3.23Å
223	V	55.9	Low	52.8	Low	30 Å²	30	59.2 Å²	59.2	18%	0.182	29%	0.285	C	S	.	.	H	α-helix	trans	-63.1	-44.7	174.6	177.4	0	0	0	0	110.7	F47 L219 Y220 K225 F226 V227	F47-V223 HydrophobicContact CD2-CG2 3.87Å; F47-V223 HydrophobicContact CE2-CG1 4.3Å; F47-V223 HydrophobicContact CE2-CG2 3.61Å; L219-V223 WeakPolarHBondContact O-CG2 3.05Å; L219-V223 PolarHBondContact O-N 2.99Å; Y220-V223 PolarHBondContact O-N 3.38Å; V223-K225 VanDerWaalsContact C-N 3.32Å; V223-K225 PolarHBondContact O-N 3.39Å; V223-F226 PolarHBondContact O-N 2.74Å; V223-V227 HydrophobicContact CG1-CG2 4.23Å; V223-V227 WeakPolarHBondContact O-CB 3.17Å; V223-V227 VanDerWaalsContact O-CG2 3.28Å; V223-V227 WeakPolarHBondContact O-CG2 3.06Å; V223-V227 PolarHBondContact O-N 3.06Å
224	E	53.8	Low	52.5	Low	23 Å²	23	61.3 Å²	61.3	11%	0.107	30%	0.296	C	S	.	.	H	α-helix	trans	-58.6	-45.7	176.6	-172.8	-171.5	159	0	0	110.8	F204 L213 Y220 Y221 V227 Q228	F204-E224 HydrophobicContact CB-CG 4.48Å; F204-E224 HydrophobicContact CD1-CG 3.71Å; F204-E224 HydrophobicContact CE1-CG 4.12Å; F204-E224 HydrophobicContact CG-CG 4.12Å; L213-E224 WeakPolarHBondContact CD1-OE2 3.02Å; Y220-E224 HydrophobicContact CE1-CB 4.38Å; Y220-E224 WeakPolarHBondContact O-CB 3.4Å; Y220-E224 PolarHBondContact O-N 3.19Å; Y221-E224 PolarHBondContact O-N 3.26Å; E224-V227 PolarHBondContact O-N 2.84Å; E224-Q228 WeakPolarHBondContact O-CB 3.48Å; E224-Q228 VanDerWaalsContact O-CG 3.29Å; E224-Q228 WeakPolarHBondContact O-CG 3.36Å; E224-Q228 PolarHBondContact O-N 2.74Å; E224-Q228 PolarHBondContact OE1-NE2 2.66Å; E224-Q228 VanDerWaalsContact OE1-NE2 3.08Å
225	K	59.1	Low	52.2	Low	50 Å²	50	61 Å²	61	22%	0.217	30%	0.3	C	S	.	.	H	α-helix	trans	-67.1	-40.8	176.8	-67.5	-57.4	175.1	-166	0	112.8	Y221 M222 V223 Q228 I229 Y248	Y221-K225 HydrophobicContact CD1-CG 4.25Å; Y221-K225 HydrophobicContact CE1-CG 3.89Å; Y221-K225 HydrophobicContact CE2-CD 4.43Å; Y221-K225 VanDerWaalsContact CE2-CE 3.45Å; Y221-K225 HydrophobicContact CE2-CG 4.2Å; Y221-K225 VanDerWaalsContact CZ-CE 3.43Å; Y221-K225 WeakPolarHBondContact O-CB 3.38Å; Y221-K225 VanDerWaalsContact O-CG 3.31Å; Y221-K225 WeakPolarHBondContact O-CG 3.36Å; Y221-K225 PolarHBondContact O-N 3.3Å; Y221-K225 VanDerWaalsContact OH-CE 3.26Å; Y221-K225 WeakPolarHBondContact OH-CE 3.37Å; M222-K225 PolarHBondContact O-N 2.8Å; V223-K225 VanDerWaalsContact C-N 3.32Å; V223-K225 PolarHBondContact O-N 3.39Å; K225-Q228 VanDerWaalsContact NZ-OE1 3.08Å; K225-Q228 PolarHBondContact O-N 3Å; K225-I229 WeakPolarHBondContact O-CD1 3.38Å; K225-I229 VanDerWaalsContact O-CG1 3.24Å; K225-I229 WeakPolarHBondContact O-CG1 3.26Å; K225-I229 PolarHBondContact O-N 3.25Å; K225-Y248 WeakPolarHBondContact CE-OH 3.48Å
226	F	58	Low	52	Low	49 Å²	49	59.9 Å²	59.9	22%	0.215	30%	0.295	C	S	.	.	H	α-helix	trans	-62.5	-46	175.8	-177.6	-99.5	0	0	0	111.4	I8 M222 V223 I229 M230	I8-F226 HydrophobicContact CG2-CE2 4.28Å; M222-F226 VanDerWaalsContact O-CB 3.31Å; M222-F226 WeakPolarHBondContact O-CB 3.18Å; M222-F226 PolarHBondContact O-N 3.23Å; V223-F226 PolarHBondContact O-N 2.74Å; F226-I229 PolarHBondContact O-N 3.27Å; F226-M230 HydrophobicContact CD1-CG 4.03Å; F226-M230 HydrophobicContact CE1-CG 3.63Å; F226-M230 HydrophobicContact CE1-SD 4.4Å; F226-M230 HydrophobicContact CE2-CG 4.25Å; F226-M230 HydrophobicContact CE2-SD 4.32Å; F226-M230 HydrophobicContact CG-CG 4.5Å; F226-M230 HydrophobicContact CZ-CG 3.76Å; F226-M230 HydrophobicContact CZ-SD 3.94Å; F226-M230 VanDerWaalsContact O-CG 3.29Å; F226-M230 WeakPolarHBondContact O-CG 2.87Å; F226-M230 PolarHBondContact O-N 3.27Å
227	V	56.1	Low	51.8	Low	21 Å²	21	62 Å²	62	13%	0.127	30%	0.304	C	S	.	.	H	α-helix	trans	-66.8	-37.4	178.1	174.6	0	0	0	0	111.5	I200 F204 V223 E224 M230 G231	I200-V227 HydrophobicContact CG2-CG1 4.41Å; F204-V227 HydrophobicContact CE2-CG1 4.02Å; F204-V227 HydrophobicContact CZ-CG1 4.06Å; V223-V227 HydrophobicContact CG1-CG2 4.23Å; V223-V227 WeakPolarHBondContact O-CB 3.17Å; V223-V227 VanDerWaalsContact O-CG2 3.28Å; V223-V227 WeakPolarHBondContact O-CG2 3.06Å; V223-V227 PolarHBondContact O-N 3.06Å; E224-V227 PolarHBondContact O-N 2.84Å; V227-M230 PolarHBondContact O-N 2.82Å; V227-G231 PolarHBondContact O-N 3.46Å
228	Q	55.3	Low	51.4	Low	55 Å²	55	67 Å²	67	26%	0.257	33%	0.331	S	S	.	.	H	α-helix	trans	-60.5	-45.6	172.6	-78.8	170.1	14.3	0	0	111.3	E224 K225 G231 Y232	E224-Q228 WeakPolarHBondContact O-CB 3.48Å; E224-Q228 VanDerWaalsContact O-CG 3.29Å; E224-Q228 WeakPolarHBondContact O-CG 3.36Å; E224-Q228 PolarHBondContact O-N 2.74Å; E224-Q228 PolarHBondContact OE1-NE2 2.66Å; E224-Q228 VanDerWaalsContact OE1-NE2 3.08Å; K225-Q228 VanDerWaalsContact NZ-OE1 3.08Å; K225-Q228 PolarHBondContact O-N 3Å; Q228-G231 PolarHBondContact O-N 3.13Å; Q228-Y232 WeakPolarHBondContact O-CB 2.92Å; Q228-Y232 PolarHBondContact O-N 3.27Å
229	I	55	Low	50.6	Low	85 Å²	85	69.5 Å²	69.5	44%	0.436	35%	0.346	S	S	.	.	H	α-helix	trans	-62.6	-46.8	176.4	-66.8	162.8	0	0	0	110.5	K225 F226 G231 Y232 L233	K225-I229 WeakPolarHBondContact O-CD1 3.38Å; K225-I229 VanDerWaalsContact O-CG1 3.24Å; K225-I229 WeakPolarHBondContact O-CG1 3.26Å; K225-I229 PolarHBondContact O-N 3.25Å; F226-I229 PolarHBondContact O-N 3.27Å; I229-G231 PolarHBondContact O-N 2.68Å; I229-Y232 WeakPolarHBondContact O-CB 3.2Å; I229-Y232 PolarHBondContact O-N 2.97Å; I229-L233 HydrophobicContact CG2-CD1 4.03Å; I229-L233 HydrophobicContact CG2-CG 4.44Å; I229-L233 VanDerWaalsContact O-CG 3.27Å; I229-L233 WeakPolarHBondContact O-CG 3.28Å; I229-L233 PolarHBondContact O-N 3.02Å
230	M	49.2	Very low	49.8	Very low	58 Å²	58	72 Å²	72	29%	0.286	36%	0.359	S	S	.	.	H	α-helix	trans	-65.8	-37.5	179.2	-68	-57.3	-62	0	0	112.8	L5 F226 V227 Y232 L233 L234	L5-M230 HydrophobicContact CD1-CE 4.44Å; L5-M230 HydrophobicContact CD1-SD 4.45Å; F226-M230 HydrophobicContact CD1-CG 4.03Å; F226-M230 HydrophobicContact CE1-CG 3.63Å; F226-M230 HydrophobicContact CE1-SD 4.4Å; F226-M230 HydrophobicContact CE2-CG 4.25Å; F226-M230 HydrophobicContact CE2-SD 4.32Å; F226-M230 HydrophobicContact CG-CG 4.5Å; F226-M230 HydrophobicContact CZ-CG 3.76Å; F226-M230 HydrophobicContact CZ-SD 3.94Å; F226-M230 VanDerWaalsContact O-CG 3.29Å; F226-M230 WeakPolarHBondContact O-CG 2.87Å; F226-M230 PolarHBondContact O-N 3.27Å; V227-M230 PolarHBondContact O-N 2.82Å; M230-Y232 VanDerWaalsContact C-N 3.33Å; M230-L233 PolarHBondContact O-N 3.04Å; M230-L233 HydrophobicContact SD-CD1 3.98Å; M230-L234 WeakPolarHBondContact O-CB 3.13Å; M230-L234 WeakPolarHBondContact O-CD1 3.17Å; M230-L234 WeakPolarHBondContact O-CG 3.26Å; M230-L234 PolarHBondContact O-N 3.4Å
231	G	50.6	Low	48.6	Very low	9 Å²	9	73.7 Å²	73.7	9%	0.093	37%	0.37	C	S	.	.	H	α-helix	trans	-62.6	-42.1	174.4	0	0	0	0	0	111.6	V227 Q228 I229 L234 E235	V227-G231 PolarHBondContact O-N 3.46Å; Q228-G231 PolarHBondContact O-N 3.13Å; I229-G231 PolarHBondContact O-N 2.68Å; G231-L234 PolarHBondContact O-N 3.37Å; G231-E235 PolarHBondContact O-N 3.38Å; G231-E235 VanDerWaalsContact O-N 3.1Å
232	Y	48.3	Very low	47.4	Very low	95 Å²	95	76 Å²	76	37%	0.373	39%	0.386	S	S	.	.	H	α-helix	trans	-64.6	-43.6	175.5	-161.4	-94.3	0	0	0	111.7	Q228 I229 M230 L234 E235 D236 N243	Q228-Y232 WeakPolarHBondContact O-CB 2.92Å; Q228-Y232 PolarHBondContact O-N 3.27Å; I229-Y232 WeakPolarHBondContact O-CB 3.2Å; I229-Y232 PolarHBondContact O-N 2.97Å; M230-Y232 VanDerWaalsContact C-N 3.33Å; Y232-L234 VanDerWaalsContact C-N 3.26Å; Y232-L234 PolarHBondContact O-N 2.89Å; Y232-E235 PolarHBondContact O-N 3.08Å; Y232-D236 WeakPolarHBondContact CE1-OD2 3.48Å; Y232-D236 PolarHBondContact O-N 3.17Å; Y232-D236 VanDerWaalsContact O-N 3.17Å; Y232-D236 PolarHBondContact OH-OD2 2.73Å; Y232-D236 VanDerWaalsContact OH-OD2 3.11Å; Y232-N243 HydrophobicContact CE1-CB 4.42Å
233	L	42.4	Very low	46.3	Very low	37 Å²	37	77.8 Å²	77.8	19%	0.194	40%	0.397	C	S	.	.	H	α-helix	trans	-62.5	-30	175	-67.2	170.4	0	0	0	113.4	I229 M230 L240 L242	I229-L233 HydrophobicContact CG2-CD1 4.03Å; I229-L233 HydrophobicContact CG2-CG 4.44Å; I229-L233 VanDerWaalsContact O-CG 3.27Å; I229-L233 WeakPolarHBondContact O-CG 3.28Å; I229-L233 PolarHBondContact O-N 3.02Å; M230-L233 PolarHBondContact O-N 3.04Å; M230-L233 HydrophobicContact SD-CD1 3.98Å; L233-L240 HydrophobicContact CD2-CD2 3.47Å; L233-L240 VanDerWaalsContact CD2-CD2 3.47Å; L233-L242 HydrophobicContact CD2-CD1 4.36Å
234	L	46.2	Very low	45.3	Very low	88 Å²	88	81.9 Å²	81.9	46%	0.461	42%	0.417	S	S	.	.	H	α-helix	trans	-81.8	-23.8	177.8	-83.6	158.2	0	0	0	113.4	M230 G231 Y232	M230-L234 WeakPolarHBondContact O-CB 3.13Å; M230-L234 WeakPolarHBondContact O-CD1 3.17Å; M230-L234 WeakPolarHBondContact O-CG 3.26Å; M230-L234 PolarHBondContact O-N 3.4Å; G231-L234 PolarHBondContact O-N 3.37Å; Y232-L234 VanDerWaalsContact C-N 3.26Å; Y232-L234 PolarHBondContact O-N 2.89Å
235	E	45.4	Very low	44.3	Very low	138 Å²	138	84.9 Å²	84.9	65%	0.645	44%	0.439	S	S	*	.	H	α-helix	trans	-81.2	-34.2	177.7	-162.7	159.3	-164.2	0	0	110.9	G231 Y232	G231-E235 PolarHBondContact O-N 3.38Å; G231-E235 VanDerWaalsContact O-N 3.1Å; Y232-E235 PolarHBondContact O-N 3.08Å
236	D	38.9	Very low	43.5	Very low	47 Å²	47	91.8 Å²	91.8	25%	0.251	47%	0.469	S	S	.	.			trans	-97.4	25.9	-177.5	-74.5	-13.8	0	0	0	114.2	Y232 D238 T239	Y232-D236 WeakPolarHBondContact CE1-OD2 3.48Å; Y232-D236 PolarHBondContact O-N 3.17Å; Y232-D236 VanDerWaalsContact O-N 3.17Å; Y232-D236 PolarHBondContact OH-OD2 2.73Å; Y232-D236 VanDerWaalsContact OH-OD2 3.11Å; D236-D238 PolarHBondContact O-N 3.4Å; D236-T239 CarbonylContact O-C 3.5Å; D236-T239 VanDerWaalsContact O-C 3.26Å; D236-T239 PolarHBondContact O-N 3.49Å
237	D	44.4	Very low	42.3	Very low	116 Å²	116	100 Å²	100	62%	0.62	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-0.8	-178	-121.2	-8.3	0	0	0	114.5
238	D	44.7	Very low	41.2	Very low	163 Å²	163	104.9 Å²	104.9	87%	0.872	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-19	168.2	-72.7	-28.4	0	0	0	113.9	D236	D236-D238 PolarHBondContact O-N 3.4Å
239	T	37.5	Very low	40	Very low	101 Å²	101	112 Å²	112	62%	0.62	54%	0.543	S	S	*	.			trans	-157.2	95.5	174.3	49.1	0	0	0	0	110.6	D236 E241	D236-T239 CarbonylContact O-C 3.5Å; D236-T239 VanDerWaalsContact O-C 3.26Å; D236-T239 PolarHBondContact O-N 3.49Å; T239-E241 PolarHBondContact O-N 3.36Å
240	L	34.6	Very low	38.9	Very low	115 Å²	115	114.7 Å²	114.7	60%	0.602	56%	0.558	S	S	*	*			trans	-64.2	45.4	177.3	-95.4	152.2	0	0	0	114.4	L233 L242	L233-L240 HydrophobicContact CD2-CD2 3.47Å; L233-L240 VanDerWaalsContact CD2-CD2 3.47Å; L240-L242 PolarHBondContact O-N 3.05Å
241	E	31.6	Very low	38.4	Very low	146 Å²	146	120.9 Å²	120.9	68%	0.682	58%	0.584	S	S	*	*			trans	-86.7	106.4	167.7	-73.5	-165.8	-178.2	0	0	109.1	T239 N243	T239-E241 PolarHBondContact O-N 3.36Å; E241-N243 PolarHBondContact O-N 2.9Å
242	L	33.1	Very low	37.6	Very low	109 Å²	109	124.4 Å²	124.4	57%	0.571	61%	0.606	S	S	*	*			trans	-60	79.5	176.3	-166.2	90.1	0	0	0	110.4	L233 L240 L244	L233-L242 HydrophobicContact CD2-CD1 4.36Å; L240-L242 PolarHBondContact O-N 3.05Å; L242-L244 VanDerWaalsContact C-N 3.31Å; L242-L244 HydrophobicContact CD2-CD1 3.49Å; L242-L244 VanDerWaalsContact CD2-CD1 3.49Å; L242-L244 HydrophobicContact CD2-CG 4.32Å; L242-L244 HydrophobicContact CG-CD1 4.03Å; L242-L244 PolarHBondContact O-N 3.25Å
243	N	32.3	Very low	36.9	Very low	99 Å²	99	131 Å²	131	53%	0.529	65%	0.646	S	S	.	*			trans	-75.3	88.9	170.8	-101.8	-67.4	0	0	0	108.3	Y232 E241	Y232-N243 HydrophobicContact CE1-CB 4.42Å; E241-N243 PolarHBondContact O-N 2.9Å
244	L	33.8	Very low	36.6	Very low	116 Å²	116	135.8 Å²	135.8	61%	0.607	67%	0.669	S	S	*	*			trans	-55	135.9	168.7	-77.1	96.2	0	0	0	109	L242 K246	L242-L244 VanDerWaalsContact C-N 3.31Å; L242-L244 HydrophobicContact CD2-CD1 3.49Å; L242-L244 VanDerWaalsContact CD2-CD1 3.49Å; L242-L244 HydrophobicContact CD2-CG 4.32Å; L242-L244 HydrophobicContact CG-CD1 4.03Å; L242-L244 PolarHBondContact O-N 3.25Å; L244-K246 PolarHBondContact O-N 3.11Å
245	P	34.1	Very low	36.1	Very low	85 Å²	85	138.3 Å²	138.3	55%	0.552	68%	0.68	S	S	*	*			trans	-58.7	125.5	178.1	20.7	-30	0	0	0	109.9	Y247 Y248	P245-Y247 PolarHBondContact O-N 3.25Å; P245-Y248 HydrophobicContact CG-CD2 4.23Å; P245-Y248 PolarHBondContact O-N 3.29Å
246	K	41	Very low	35.6	Very low	196 Å²	196	138.3 Å²	138.3	85%	0.852	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.4	-12.5	-178.6	-78.9	-179.2	178.2	173.9	0	115	L244	L244-K246 PolarHBondContact O-N 3.11Å
247	Y	34.2	Very low	35.4	Very low	222 Å²	222	143.6 Å²	143.6	87%	0.871	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	16	-177.5	-64.3	-75.9	0	0	0	114.5	P245	P245-Y247 PolarHBondContact O-N 3.25Å
248	Y	33	Very low	34.8	Very low	122 Å²	122	145.4 Å²	145.4	48%	0.478	71%	0.712	S	S	.	*			trans	-90.7	-2.7	-177.5	-130.6	-92.8	0	0	0	116	Y221 K225 P245	Y221-Y248 PolarHBondContact OH-OH 2.74Å; Y221-Y248 VanDerWaalsContact OH-OH 3.06Å; K225-Y248 WeakPolarHBondContact CE-OH 3.48Å; P245-Y248 HydrophobicContact CG-CD2 4.23Å; P245-Y248 PolarHBondContact O-N 3.29Å
249	Y	29.4	Very low	34.2	Very low	204 Å²	204	144.2 Å²	144.2	80%	0.8	70%	0.702	S	S	*	*			trans	-103.3	91.2	167	-69.2	-79.2	0	0	0	108.9	K251	Y249-K251 PolarHBondContact O-N 3.22Å
250	D	32.6	Very low	33.9	Very low	142 Å²	142	147.3 Å²	147.3	76%	0.759	71%	0.707	S	S	*	*			trans	-62.2	97.7	151.5	-158.1	4.7	0	0	0	105.8	S252	D250-S252 VanDerWaalsContact CG-OG 3.32Å; D250-S252 PolarHBondContact O-N 3.04Å; D250-S252 PolarHBondContact OD1-OG 3.24Å; D250-S252 VanDerWaalsContact OD1-OG 3.14Å
251	K	37.6	Very low	33.9	Very low	189 Å²	189	149.8 Å²	149.8	82%	0.822	72%	0.716	S	S	*	*			trans	-74.8	22.5	-177.4	-76.8	-169.8	176.7	-172	0	112.5	Y249 I253	Y249-K251 PolarHBondContact O-N 3.22Å; K251-I253 VanDerWaalsContact C-N 3.34Å; K251-I253 PolarHBondContact O-N 3.2Å
252	S	34.4	Very low	34.1	Very low	82 Å²	82	150.1 Å²	150.1	57%	0.573	72%	0.718	S	S	*	*			trans	-95.1	61.5	173.3	53.9	0	0	0	0	111	D250	D250-S252 VanDerWaalsContact CG-OG 3.32Å; D250-S252 PolarHBondContact O-N 3.04Å; D250-S252 PolarHBondContact OD1-OG 3.24Å; D250-S252 VanDerWaalsContact OD1-OG 3.14Å
253	I	33.6	Very low	34.2	Very low	235 Å²	235	153.8 Å²	153.8	100%	1.205	73%	0.732	S	S	*	*			trans	-144.4	0	142.9	-57.4	-174	0	0	0	107.1	K251	K251-I253 VanDerWaalsContact C-N 3.34Å; K251-I253 PolarHBondContact O-N 3.2Å

Retrieved 253 of 253 residues in 157.2 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).