G4VIG1_SCHMA Loading...

Putative rac guanyl-nucleotide exchange factor

AlphaFold DB , UniProt , Accession G4VIG1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 541 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.3	Very low	38.8	Very low	229 Å²	229	129.7 Å²	129.7	100%	1.128	68%	0.675	S	S	*	*				0	114	0	-60.1	171	84.7	0	0	105.4	D5	M1-D5 WeakPolarHBondContact CA-OD2 3.49Å
2	S	35.7	Very low	39.2	Very low	56 Å²	56	126.7 Å²	126.7	39%	0.392	67%	0.673	S	S	.	*			trans	-85.6	161.9	-179.8	86.2	0	0	0	0	109.9	N4 D5	S2-N4 PolarHBondContact O-N 2.97Å; S2-N4 WeakPolarHBondContact OG-CB 3.11Å; S2-N4 PolarHBondContact OG-N 2.89Å; S2-D5 PolarHBondContact N-OD2 3.49Å; S2-D5 WeakPolarHBondContact O-CB 3.46Å; S2-D5 PolarHBondContact O-N 3.01Å; S2-D5 PolarHBondContact OG-OD1 2.97Å
3	L	41	Very low	39.2	Very low	151 Å²	151	126.8 Å²	126.8	79%	0.791	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-62.1	-23.5	176.6	-148.8	80.8	0	0	0	112.2	D5	L3-D5 VanDerWaalsContact C-N 3.31Å; L3-D5 PolarHBondContact O-N 3.11Å
4	N	43	Very low	40.3	Very low	110 Å²	110	127.4 Å²	127.4	59%	0.588	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-73.3	-25.1	-178	-52	-9.8	0	0	0	112	S2 V6 I7	S2-N4 PolarHBondContact O-N 2.97Å; S2-N4 WeakPolarHBondContact OG-CB 3.11Å; S2-N4 PolarHBondContact OG-N 2.89Å; N4-V6 PolarHBondContact O-N 3.41Å; N4-I7 PolarHBondContact O-N 2.77Å
5	D	38.8	Very low	41.3	Very low	90 Å²	90	125.5 Å²	125.5	48%	0.481	67%	0.67	S	S	.	*	G	3₁₀ helix	trans	-67.5	-19.1	-177.1	-49.7	-9.4	0	0	0	111.8	M1 S2 L3	M1-D5 WeakPolarHBondContact CA-OD2 3.49Å; S2-D5 PolarHBondContact N-OD2 3.49Å; S2-D5 WeakPolarHBondContact O-CB 3.46Å; S2-D5 PolarHBondContact O-N 3.01Å; S2-D5 PolarHBondContact OG-OD1 2.97Å; L3-D5 VanDerWaalsContact C-N 3.31Å; L3-D5 PolarHBondContact O-N 3.11Å
6	V	43.2	Very low	43.4	Very low	100 Å²	100	122.9 Å²	122.9	61%	0.606	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-92.9	-15.3	-178.6	-177.2	0	0	0	0	112.3	N4	N4-V6 PolarHBondContact O-N 3.41Å
7	I	36.8	Very low	45.6	Very low	109 Å²	109	119.3 Å²	119.3	56%	0.559	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-26.8	-171.8	-61.7	176.5	0	0	0	111.8	N4	N4-I7 PolarHBondContact O-N 2.77Å
8	L	40.7	Very low	47.8	Very low	141 Å²	141	117 Å²	117	74%	0.738	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-70.9	-30.9	-177.2	-96.5	71.4	0	0	0	114.5	H10	L8-H10 VanDerWaalsContact C-N 3.26Å; L8-H10 PolarHBondContact O-N 3.06Å
9	D	34	Very low	49.9	Very low	124 Å²	124	111.2 Å²	111.2	66%	0.663	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-74.6	-17.3	-176.4	-73.5	-17.9	0	0	0	113	E11 S12	D9-E11 PolarHBondContact O-N 3.35Å; D9-S12 PolarHBondContact O-N 3.48Å; D9-S12 PolarHBondContact O-OG 3.28Å
10	H	36	Very low	51.4	Low	148 Å²	148	111.2 Å²	111.2	69%	0.685	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-72.9	-19	-171.5	-101.5	-79.7	0	0	0	115.2	L8 S12	L8-H10 VanDerWaalsContact C-N 3.26Å; L8-H10 PolarHBondContact O-N 3.06Å; H10-S12 VanDerWaalsContact C-N 3.34Å
11	E	36.1	Very low	52.8	Low	169 Å²	169	111.1 Å²	111.1	79%	0.79	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-80.6	-13.1	178	-61.4	-164.4	133.2	0	0	113.6	D9 N13	D9-E11 PolarHBondContact O-N 3.35Å; E11-N13 VanDerWaalsContact C-N 3.34Å; E11-N13 PolarHBondContact O-N 2.98Å
12	S	43.4	Very low	55	Low	93 Å²	93	101.5 Å²	101.5	65%	0.65	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-73.3	-18.8	-173.2	64.6	0	0	0	0	115.1	D9 H10 Q14	D9-S12 PolarHBondContact O-N 3.48Å; D9-S12 PolarHBondContact O-OG 3.28Å; H10-S12 VanDerWaalsContact C-N 3.34Å; S12-Q14 PolarHBondContact O-N 3.27Å
13	N	39.4	Very low	57.3	Low	129 Å²	129	100.6 Å²	100.6	69%	0.69	56%	0.558	S	S	*	*			trans	-94.5	43.5	-170.7	-73.9	-72.7	0	0	0	114	E11 C15	E11-N13 VanDerWaalsContact C-N 3.34Å; E11-N13 PolarHBondContact O-N 2.98Å; N13-C15 PolarHBondContact O-N 3.17Å
14	Q	54.2	Low	59.3	Low	134 Å²	134	94.9 Å²	94.9	63%	0.626	53%	0.533	S	S	*	.			trans	-69	102.6	170.3	-67.4	-169.6	13.3	0	0	110.3	S12 L16	S12-Q14 PolarHBondContact O-N 3.27Å; Q14-L16 PolarHBondContact O-N 3.2Å
15	C	56	Low	61.3	Low	99 Å²	99	95.9 Å²	95.9	67%	0.669	53%	0.534	S	S	*	.			trans	-68.2	92.3	178	-58.4	0	0	0	0	111.4	N13 F17	N13-C15 PolarHBondContact O-N 3.17Å; C15-F17 WeakPolarHBondContact O-CD2 3.4Å; C15-F17 WeakPolarHBondContact O-CE2 3.39Å; C15-F17 PolarHBondContact O-N 3.49Å
16	L	75.2	Confident	63.6	Low	85 Å²	85	93.5 Å²	93.5	45%	0.445	52%	0.519	S	S	.	.			trans	-59.3	125.9	174.1	-69.9	165.5	0	0	0	111	Q14 E25 V27	Q14-L16 PolarHBondContact O-N 3.2Å; L16-E25 HydrophobicContact CB-CB 4.49Å; L16-E25 HydrophobicContact CD2-CB 4.42Å; L16-V27 HydrophobicContact CD2-CG2 4.36Å
17	F	81.1	Confident	65.4	Low	61 Å²	61	92.8 Å²	92.8	27%	0.268	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	109.7	177.6	-66.8	-82.9	0	0	0	109.6	C15 Y26 R29 L32	C15-F17 WeakPolarHBondContact O-CD2 3.4Å; C15-F17 WeakPolarHBondContact O-CE2 3.39Å; C15-F17 PolarHBondContact O-N 3.49Å; F17-Y26 PolarHBondContact N-O 2.74Å; F17-Y26 WeakPolarHBondContact O-CB 3.5Å; F17-Y26 WeakPolarHBondContact O-CD2 3.39Å; F17-Y26 PolarHBondContact O-N 2.67Å; F17-R29 HydrophobicContact CD1-CB 4.47Å; F17-R29 HydrophobicContact CD2-CB 4.42Å; F17-R29 HydrophobicContact CE1-CB 4.23Å; F17-R29 HydrophobicContact CE1-CG 4.46Å; F17-R29 HydrophobicContact CE2-CB 4.16Å; F17-R29 HydrophobicContact CZ-CB 4.07Å; F17-L32 HydrophobicContact CB-CB 4.06Å; F17-L32 HydrophobicContact CB-CD2 3.82Å
18	V	84.1	Confident	67.7	Low	78 Å²	78	90.3 Å²	90.3	47%	0.473	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	134.9	-176.3	-171.6	0	0	0	0	111.4	A20 A24 E25	V18-A20 PolarHBondContact O-N 2.75Å; V18-A24 CarbonylContact C-O 3.17Å; V18-A24 WeakPolarHBondContact CA-O 3.5Å; V18-E25 HydrophobicContact CG2-CG 4.4Å
19	C	88.3	Confident	69.6	Low	6 Å²	6	88.4 Å²	88.4	4%	0.041	49%	0.487	C	S	.	.			trans	-74.4	117.2	170.1	-178	0	0	0	0	111.2	K21 G23 A24 Y26 L32 H35	C19-K21 PolarHBondContact O-N 3.06Å; C19-G23 WeakPolarHBondContact O-CA 3.44Å; C19-G23 PolarHBondContact O-N 3.35Å; C19-A24 PolarHBondContact N-O 3.24Å; C19-Y26 HydrophobicContact CB-CE2 4.24Å; C19-L32 HydrophobicContact CB-CD1 3.7Å; C19-H35 VanDerWaalsContact SG-CD2 3.51Å; C19-H35 PolarHBondContact SG-NE2 3.38Å
20	A	80.3	Confident	71.9	Confident	111 Å²	111	87.8 Å²	87.8	92%	0.917	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	16.8	-179.6	0	0	0	0	0	115.7	V18	V18-A20 PolarHBondContact O-N 2.75Å
21	K	80.9	Confident	74.2	Confident	111 Å²	111	85.1 Å²	85.1	48%	0.483	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-63	173.3	-75.6	-170.2	165	-145.8	0	111.6	C19 C45 E47 T48	C19-K21 PolarHBondContact O-N 3.06Å; K21-C45 VanDerWaalsContact CB-SG 3.53Å; K21-C45 HydrophobicContact CD-CB 4.11Å; K21-E47 HydrophobicContact CB-CG 4.28Å; K21-E47 WeakPolarHBondContact O-CA 3.18Å; K21-T48 PolarHBondContact O-N 3.05Å
22	C	86.7	Confident	76.7	Confident	26 Å²	26	78.2 Å²	78.2	18%	0.176	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	3.4	-173.9	64.1	0	0	0	0	114.4	A24 H35 V46 T48	C22-A24 PolarHBondContact O-N 3.47Å; C22-A24 VanDerWaalsContact SG-CB 3.57Å; C22-H35 PolarHBondContact SG-NE2 2.9Å; C22-V46 WeakPolarHBondContact CA-O 3.47Å; C22-V46 VanDerWaalsContact CB-O 3.25Å; C22-V46 WeakPolarHBondContact CB-O 3.37Å; C22-T48 WeakPolarHBondContact O-CG2 3.35Å
23	G	83.5	Confident	78.8	Confident	37 Å²	37	74.4 Å²	74.4	38%	0.381	42%	0.415	S	S	.	.			trans	67.2	3.4	-178.6	0	0	0	0	0	115.5	C19 E25	C19-G23 WeakPolarHBondContact O-CA 3.44Å; C19-G23 PolarHBondContact O-N 3.35Å; G23-E25 PolarHBondContact O-N 3.22Å
24	A	83.6	Confident	81	Confident	31 Å²	31	73.8 Å²	73.8	26%	0.256	41%	0.41	S	S	.	.			trans	-67.2	133	-176.4	0	0	0	0	0	112.3	V18 C19 C22 Y26	V18-A24 CarbonylContact C-O 3.17Å; V18-A24 WeakPolarHBondContact CA-O 3.5Å; C19-A24 PolarHBondContact N-O 3.24Å; C22-A24 PolarHBondContact O-N 3.47Å; C22-A24 VanDerWaalsContact SG-CB 3.57Å; A24-Y26 HydrophobicContact CB-CE2 3.74Å; A24-Y26 WeakPolarHBondContact CB-OH 3.09Å; A24-Y26 WeakPolarHBondContact O-CD2 3.36Å; A24-Y26 WeakPolarHBondContact O-CE2 3.19Å
25	E	85.5	Confident	82.6	Confident	131 Å²	131	69.2 Å²	69.2	61%	0.612	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	140.6	-177.7	-54.6	-179.2	150.2	0	0	111.6	L16 V18 G23	L16-E25 HydrophobicContact CB-CB 4.49Å; L16-E25 HydrophobicContact CD2-CB 4.42Å; V18-E25 HydrophobicContact CG2-CG 4.4Å; G23-E25 PolarHBondContact O-N 3.22Å
26	Y	86	Confident	84	Confident	41 Å²	41	68.1 Å²	68.1	16%	0.161	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	133.2	-178.1	-63.8	-74.4	0	0	0	112.1	F17 C19 A24 T28 M31 L32 H35	F17-Y26 PolarHBondContact N-O 2.74Å; F17-Y26 WeakPolarHBondContact O-CB 3.5Å; F17-Y26 WeakPolarHBondContact O-CD2 3.39Å; F17-Y26 PolarHBondContact O-N 2.67Å; C19-Y26 HydrophobicContact CB-CE2 4.24Å; A24-Y26 HydrophobicContact CB-CE2 3.74Å; A24-Y26 WeakPolarHBondContact CB-OH 3.09Å; A24-Y26 WeakPolarHBondContact O-CD2 3.36Å; A24-Y26 WeakPolarHBondContact O-CE2 3.19Å; Y26-T28 VanDerWaalsContact C-N 3.33Å; Y26-T28 PolarHBondContact O-N 3.28Å; Y26-M31 HydrophobicContact CD1-CB 3.73Å; Y26-M31 HydrophobicContact CG-CB 4.17Å; Y26-L32 HydrophobicContact CD2-CB 3.82Å; Y26-L32 HydrophobicContact CD2-CD1 3.76Å; Y26-L32 HydrophobicContact CD2-CG 4.38Å; Y26-L32 HydrophobicContact CE2-CD1 4.01Å; Y26-L32 HydrophobicContact CG-CB 4.11Å; Y26-H35 HydrophobicContact CE1-CB 4.13Å; Y26-H35 HydrophobicContact CE2-CB 3.92Å; Y26-H35 AromaticContact CE2-CD2 3.87Å; Y26-H35 AromaticContact CE2-CG 3.84Å; Y26-H35 AromaticContact CZ-CG 3.6Å; Y26-H35 WeakPolarHBondContact OH-CB 3.14Å; Y26-H35 PolarHBondContact OH-ND1 2.85Å; Y26-H35 VanDerWaalsContact OH-ND1 3.17Å
27	V	80.9	Confident	84.4	Confident	85 Å²	85	69.7 Å²	69.7	52%	0.515	38%	0.381	S	S	.	.	S	Bend	trans	-69.3	-30.9	-178.8	-176.5	0	0	0	0	112	L16	L16-V27 HydrophobicContact CD2-CG2 4.36Å
28	T	85.1	Confident	84.4	Confident	56 Å²	56	71 Å²	71	34%	0.344	39%	0.391	S	S	.	.	S	Bend	trans	-123.7	154.5	176.6	78.4	0	0	0	0	112	Y26 D30 M31 L32	Y26-T28 VanDerWaalsContact C-N 3.33Å; Y26-T28 PolarHBondContact O-N 3.28Å; T28-D30 PolarHBondContact O-N 3.2Å; T28-M31 PolarHBondContact O-N 3.25Å; T28-M31 WeakPolarHBondContact OG1-CG 3.3Å; T28-M31 PolarHBondContact OG1-N 3.41Å; T28-L32 PolarHBondContact O-N 3.26Å
29	R	81.4	Confident	84.2	Confident	101 Å²	101	68.1 Å²	68.1	38%	0.381	37%	0.374	S	S	.	.	H	α-helix	trans	-61.5	-33	176	-171.6	178.7	-64.7	158.6	0.9	111.7	F17 L32 A33 L113	F17-R29 HydrophobicContact CD1-CB 4.47Å; F17-R29 HydrophobicContact CD2-CB 4.42Å; F17-R29 HydrophobicContact CE1-CB 4.23Å; F17-R29 HydrophobicContact CE1-CG 4.46Å; F17-R29 HydrophobicContact CE2-CB 4.16Å; F17-R29 HydrophobicContact CZ-CB 4.07Å; R29-L32 PolarHBondContact O-N 3.08Å; R29-A33 WeakPolarHBondContact O-CB 3.45Å; R29-A33 PolarHBondContact O-N 3.23Å; R29-L113 HydrophobicContact CG-CD2 4.24Å
30	D	81.5	Confident	83.6	Confident	111 Å²	111	72.1 Å²	72.1	59%	0.594	41%	0.407	S	S	*	.	H	α-helix	trans	-71.1	-34	-179.4	-51.4	-70.4	0	0	0	112.2	T28 A33 M34	T28-D30 PolarHBondContact O-N 3.2Å; D30-A33 PolarHBondContact O-N 3.36Å; D30-M34 VanDerWaalsContact O-CB 3.23Å; D30-M34 WeakPolarHBondContact O-CB 3.35Å; D30-M34 PolarHBondContact O-N 3Å
31	M	85.1	Confident	83.3	Confident	92 Å²	92	77.2 Å²	77.2	45%	0.453	40%	0.403	S	S	.	.	H	α-helix	trans	-65.8	-41.8	171.5	-68.6	174.4	78.8	0	0	111.6	Y26 T28 H35	Y26-M31 HydrophobicContact CD1-CB 3.73Å; Y26-M31 HydrophobicContact CG-CB 4.17Å; T28-M31 PolarHBondContact O-N 3.25Å; T28-M31 WeakPolarHBondContact OG1-CG 3.3Å; T28-M31 PolarHBondContact OG1-N 3.41Å; M31-H35 WeakPolarHBondContact O-CB 3.47Å; M31-H35 PolarHBondContact O-N 3.41Å
32	L	88.1	Confident	82.9	Confident	24 Å²	24	75.1 Å²	75.1	13%	0.126	41%	0.406	C	S	.	.	H	α-helix	trans	-63.6	-44.2	171.7	174.1	60.7	0	0	0	111.3	F17 C19 Y26 T28 R29 M34 H35 M36	F17-L32 HydrophobicContact CB-CB 4.06Å; F17-L32 HydrophobicContact CB-CD2 3.82Å; C19-L32 HydrophobicContact CB-CD1 3.7Å; Y26-L32 HydrophobicContact CD2-CB 3.82Å; Y26-L32 HydrophobicContact CD2-CD1 3.76Å; Y26-L32 HydrophobicContact CD2-CG 4.38Å; Y26-L32 HydrophobicContact CE2-CD1 4.01Å; Y26-L32 HydrophobicContact CG-CB 4.11Å; T28-L32 PolarHBondContact O-N 3.26Å; R29-L32 PolarHBondContact O-N 3.08Å; L32-M34 PolarHBondContact O-N 2.78Å; L32-H35 PolarHBondContact O-N 3.35Å; L32-M36 HydrophobicContact CD1-CG 3.95Å; L32-M36 HydrophobicContact CD1-SD 4.12Å; L32-M36 HydrophobicContact CG-CG 4.35Å; L32-M36 HydrophobicContact CG-SD 4.07Å; L32-M36 VanDerWaalsContact O-CG 3.31Å; L32-M36 WeakPolarHBondContact O-CG 3.43Å; L32-M36 PolarHBondContact O-N 3.36Å
33	A	87.1	Confident	81.8	Confident	14 Å²	14	77 Å²	77	12%	0.116	43%	0.43	C	S	.	.	H	α-helix	trans	-63	-41.9	179.6	0	0	0	0	0	112	R29 D30 M36 M37	R29-A33 WeakPolarHBondContact O-CB 3.45Å; R29-A33 PolarHBondContact O-N 3.23Å; D30-A33 PolarHBondContact O-N 3.36Å; A33-M36 PolarHBondContact O-N 3.1Å; A33-M37 HydrophobicContact CB-CE 4.2Å; A33-M37 WeakPolarHBondContact O-CB 3.4Å; A33-M37 VanDerWaalsContact O-CE 3.3Å; A33-M37 WeakPolarHBondContact O-CE 3.37Å; A33-M37 WeakPolarHBondContact O-CG 3.37Å; A33-M37 PolarHBondContact O-N 3.4Å
34	M	87	Confident	80.9	Confident	115 Å²	115	82.1 Å²	82.1	57%	0.567	45%	0.446	S	S	*	.	H	α-helix	trans	-60	-49.9	172.7	-171.4	-176.7	-57	0	0	110.8	D30 L32 M36 M37 D38	D30-M34 VanDerWaalsContact O-CB 3.23Å; D30-M34 WeakPolarHBondContact O-CB 3.35Å; D30-M34 PolarHBondContact O-N 3Å; L32-M34 PolarHBondContact O-N 2.78Å; M34-M36 VanDerWaalsContact C-N 3.33Å; M34-M36 PolarHBondContact O-N 3.28Å; M34-M37 PolarHBondContact O-N 3.11Å; M34-M37 VanDerWaalsContact O-N 3.13Å; M34-D38 PolarHBondContact O-N 3.29Å
35	H	87.3	Confident	80.4	Confident	38 Å²	38	81.4 Å²	81.4	18%	0.176	44%	0.439	C	S	.	.	H	α-helix	trans	-56.5	-43.7	174.3	168.5	70	0	0	0	112.7	C19 C22 Y26 M31 L32 M37 S39	C19-H35 VanDerWaalsContact SG-CD2 3.51Å; C19-H35 PolarHBondContact SG-NE2 3.38Å; C22-H35 PolarHBondContact SG-NE2 2.9Å; Y26-H35 HydrophobicContact CE1-CB 4.13Å; Y26-H35 HydrophobicContact CE2-CB 3.92Å; Y26-H35 AromaticContact CE2-CD2 3.87Å; Y26-H35 AromaticContact CE2-CG 3.84Å; Y26-H35 AromaticContact CZ-CG 3.6Å; Y26-H35 WeakPolarHBondContact OH-CB 3.14Å; Y26-H35 PolarHBondContact OH-ND1 2.85Å; Y26-H35 VanDerWaalsContact OH-ND1 3.17Å; M31-H35 WeakPolarHBondContact O-CB 3.47Å; M31-H35 PolarHBondContact O-N 3.41Å; L32-H35 PolarHBondContact O-N 3.35Å; H35-M37 VanDerWaalsContact C-N 3.34Å; H35-M37 PolarHBondContact O-N 2.86Å; H35-S39 PolarHBondContact CE1-OG 2.7Å; H35-S39 PolarHBondContact NE2-OG 2.82Å; H35-S39 WeakPolarHBondContact O-CB 3.46Å; H35-S39 PolarHBondContact O-N 2.72Å; H35-S39 PolarHBondContact O-OG 3.02Å
36	M	84.5	Confident	79.4	Confident	76 Å²	76	80.1 Å²	80.1	37%	0.374	44%	0.44	S	S	.	.	H	α-helix	trans	-66.3	-34.8	177.9	-71.1	-179.1	79.6	0	0	112.4	L32 A33 M34 S39 A40 I109	L32-M36 HydrophobicContact CD1-CG 3.95Å; L32-M36 HydrophobicContact CD1-SD 4.12Å; L32-M36 HydrophobicContact CG-CG 4.35Å; L32-M36 HydrophobicContact CG-SD 4.07Å; L32-M36 VanDerWaalsContact O-CG 3.31Å; L32-M36 WeakPolarHBondContact O-CG 3.43Å; L32-M36 PolarHBondContact O-N 3.36Å; A33-M36 PolarHBondContact O-N 3.1Å; M34-M36 VanDerWaalsContact C-N 3.33Å; M34-M36 PolarHBondContact O-N 3.28Å; M36-S39 WeakPolarHBondContact O-CB 3.2Å; M36-A40 WeakPolarHBondContact O-CB 3.25Å; M36-A40 PolarHBondContact O-N 3.03Å; M36-I109 HydrophobicContact CB-CD1 4.46Å; M36-I109 HydrophobicContact CE-CD1 3.98Å; M36-I109 HydrophobicContact CE-CG1 4.1Å
37	M	85.4	Confident	78.1	Confident	118 Å²	118	84 Å²	84	58%	0.581	46%	0.459	S	S	*	.	H	α-helix	trans	-71.8	-45.9	176	-75.3	-175.8	-81.2	0	0	112.3	A33 M34 H35 S39 A40 R41	A33-M37 HydrophobicContact CB-CE 4.2Å; A33-M37 WeakPolarHBondContact O-CB 3.4Å; A33-M37 VanDerWaalsContact O-CE 3.3Å; A33-M37 WeakPolarHBondContact O-CE 3.37Å; A33-M37 WeakPolarHBondContact O-CG 3.37Å; A33-M37 PolarHBondContact O-N 3.4Å; M34-M37 PolarHBondContact O-N 3.11Å; M34-M37 VanDerWaalsContact O-N 3.13Å; H35-M37 VanDerWaalsContact C-N 3.34Å; H35-M37 PolarHBondContact O-N 2.86Å; M37-S39 VanDerWaalsContact C-N 3.34Å; M37-A40 PolarHBondContact O-N 3.11Å; M37-R41 WeakPolarHBondContact O-CB 3.41Å; M37-R41 PolarHBondContact O-N 3.08Å
38	D	79.5	Confident	76.8	Confident	89 Å²	89	84.2 Å²	84.2	48%	0.476	46%	0.461	S	S	.	.	H	α-helix	trans	-66.8	-37	175.4	-74.8	-32.5	0	0	0	111.7	M34 A40 R41 A42	M34-D38 PolarHBondContact O-N 3.29Å; D38-A40 PolarHBondContact O-N 2.89Å; D38-R41 PolarHBondContact O-N 3.2Å; D38-R41 VanDerWaalsContact O-N 3.14Å; D38-A42 WeakPolarHBondContact O-CB 3.49Å; D38-A42 PolarHBondContact O-N 3.23Å
39	S	80.6	Confident	74.7	Confident	18 Å²	18	88.1 Å²	88.1	13%	0.126	48%	0.48	C	S	.	.	H	α-helix	trans	-55.8	-46	170	-75.9	0	0	0	0	112.8	H35 M36 M37 R41 G43 C45	H35-S39 PolarHBondContact CE1-OG 2.7Å; H35-S39 PolarHBondContact NE2-OG 2.82Å; H35-S39 WeakPolarHBondContact O-CB 3.46Å; H35-S39 PolarHBondContact O-N 2.72Å; H35-S39 PolarHBondContact O-OG 3.02Å; M36-S39 WeakPolarHBondContact O-CB 3.2Å; M37-S39 VanDerWaalsContact C-N 3.34Å; S39-R41 VanDerWaalsContact C-N 3.3Å; S39-G43 WeakPolarHBondContact O-CA 3.07Å; S39-G43 PolarHBondContact O-N 3.21Å; S39-C45 WeakPolarHBondContact OG-CB 3.32Å; S39-C45 PolarHBondContact OG-SG 2.79Å; S39-C45 VanDerWaalsContact OG-SG 3.4Å
40	A	75.5	Confident	72.8	Confident	89 Å²	89	88.4 Å²	88.4	74%	0.736	50%	0.504	S	S	*	.	H	α-helix	trans	-70.5	-26.5	177.3	0	0	0	0	0	112.9	M36 M37 D38	M36-A40 WeakPolarHBondContact O-CB 3.25Å; M36-A40 PolarHBondContact O-N 3.03Å; M37-A40 PolarHBondContact O-N 3.11Å; D38-A40 PolarHBondContact O-N 2.89Å
41	R	74.3	Confident	70.7	Confident	219 Å²	219	88.1 Å²	88.1	83%	0.826	51%	0.506	S	S	*	.	H	α-helix	trans	-83.5	-36.3	179.6	-171.2	176.8	-174.2	171.7	2	113.5	M37 D38 S39	M37-R41 WeakPolarHBondContact O-CB 3.41Å; M37-R41 PolarHBondContact O-N 3.08Å; D38-R41 PolarHBondContact O-N 3.2Å; D38-R41 VanDerWaalsContact O-N 3.14Å; S39-R41 VanDerWaalsContact C-N 3.3Å
42	A	71.4	Confident	68.2	Low	66 Å²	66	89.7 Å²	89.7	55%	0.545	52%	0.521	S	S	.	.	H	α-helix	trans	-95.6	-22.3	-177.7	0	0	0	0	0	113.5	D38 M44	D38-A42 WeakPolarHBondContact O-CB 3.49Å; D38-A42 PolarHBondContact O-N 3.23Å; A42-M44 HydrophobicContact CB-CB 4.1Å; A42-M44 HydrophobicContact CB-CG 3.88Å; A42-M44 PolarHBondContact O-N 3.31Å
43	G	64.4	Low	65.5	Low	67 Å²	67	96.5 Å²	96.5	69%	0.691	56%	0.557	S	S	*	*			trans	73.7	1.9	-170.7	0	0	0	0	0	114.3	S39 C45	S39-G43 WeakPolarHBondContact O-CA 3.07Å; S39-G43 PolarHBondContact O-N 3.21Å; G43-C45 VanDerWaalsContact C-N 3.33Å; G43-C45 PolarHBondContact O-N 3.39Å
44	M	63.6	Low	62.6	Low	143 Å²	143	101 Å²	101	70%	0.704	59%	0.594	S	S	*	*			trans	-87.9	15.1	-167.7	-67.6	-61.4	-61.1	0	0	115.2	A42 V46	A42-M44 HydrophobicContact CB-CB 4.1Å; A42-M44 HydrophobicContact CB-CG 3.88Å; A42-M44 PolarHBondContact O-N 3.31Å; M44-V46 VanDerWaalsContact C-N 3.29Å; M44-V46 PolarHBondContact O-N 3.36Å
45	C	75.1	Confident	60	Low	17 Å²	17	100.1 Å²	100.1	12%	0.115	60%	0.6	C	S	.	*			trans	-83.4	78.5	176.2	-156.9	0	0	0	0	109.7	K21 S39 G43	K21-C45 VanDerWaalsContact CB-SG 3.53Å; K21-C45 HydrophobicContact CD-CB 4.11Å; S39-C45 WeakPolarHBondContact OG-CB 3.32Å; S39-C45 PolarHBondContact OG-SG 2.79Å; S39-C45 VanDerWaalsContact OG-SG 3.4Å; G43-C45 VanDerWaalsContact C-N 3.33Å; G43-C45 PolarHBondContact O-N 3.39Å
46	V	63.8	Low	57.2	Low	104 Å²	104	105.6 Å²	105.6	63%	0.63	63%	0.63	S	S	*	*			trans	-65	131.9	177.6	-175.7	0	0	0	0	109	C22 M44	C22-V46 WeakPolarHBondContact CA-O 3.47Å; C22-V46 VanDerWaalsContact CB-O 3.25Å; C22-V46 WeakPolarHBondContact CB-O 3.37Å; M44-V46 VanDerWaalsContact C-N 3.29Å; M44-V46 PolarHBondContact O-N 3.36Å
47	E	58.1	Low	54.8	Low	122 Å²	122	108.9 Å²	108.9	57%	0.57	65%	0.654	S	S	*	*			trans	-73	127.6	174	-75.1	164.1	-175.7	0	0	108.9	K21 D49	K21-E47 HydrophobicContact CB-CG 4.28Å; K21-E47 WeakPolarHBondContact O-CA 3.18Å; E47-D49 PolarHBondContact O-N 2.99Å
48	T	55	Low	52.2	Low	90 Å²	90	109.4 Å²	109.4	55%	0.552	66%	0.66	S	S	*	*			trans	-81.3	95.5	175	47.9	0	0	0	0	108	K21 C22 A50	K21-T48 PolarHBondContact O-N 3.05Å; C22-T48 WeakPolarHBondContact O-CG2 3.35Å; T48-A50 PolarHBondContact O-N 3.01Å
49	D	40.5	Very low	49.9	Very low	138 Å²	138	111 Å²	111	74%	0.738	67%	0.668	S	S	*	*			trans	-53	104.1	177.6	-77.9	-43.3	0	0	0	110.5	E47 T51	E47-D49 PolarHBondContact O-N 2.99Å; D49-T51 PolarHBondContact O-N 3.21Å
50	A	41.8	Very low	47.5	Very low	107 Å²	107	116 Å²	116	88%	0.884	69%	0.694	S	S	*	*			trans	-78.6	50	-179.5	0	0	0	0	0	111.3	T48	T48-A50 PolarHBondContact O-N 3.01Å
51	T	37.7	Very low	45.4	Very low	104 Å²	104	118.8 Å²	118.8	64%	0.638	70%	0.696	S	S	*	*			trans	-132.7	151.7	177.6	63.3	0	0	0	0	109.9	D49	D49-T51 PolarHBondContact O-N 3.21Å
52	T	32	Very low	43.3	Very low	125 Å²	125	115.1 Å²	115.1	77%	0.767	69%	0.693	S	S	*	*	S	Bend	trans	64.3	77.3	-176.1	66.9	0	0	0	0	116.3
53	N	30.5	Very low	41.4	Very low	167 Å²	167	121.3 Å²	121.3	89%	0.893	71%	0.71	S	S	*	*				-173.3	57.2	130	-92.1	-31.8	0	0	0	111.4
54	A	27.4	Very low	39.8	Very low	108 Å²	108	127 Å²	127	89%	0.893	72%	0.716	S	S	*	*			trans	-109.1	99	170.8	0	0	0	0	0	109.3
55	S	32.1	Very low	38.2	Very low	97 Å²	97	126.9 Å²	126.9	68%	0.678	72%	0.723	S	S	*	*			trans	-149.7	82.7	180	61	0	0	0	0	112.2
56	N	28.1	Very low	36.1	Very low	153 Å²	153	131.3 Å²	131.3	82%	0.818	75%	0.75	S	S	*	*			trans	64.6	147	176.2	-56.7	-38	0	0	0	114.7
57	V	33	Very low	34.5	Very low	145 Å²	145	134.4 Å²	134.4	88%	0.879	76%	0.762	S	S	*	*			cis	-124.4	157.9	22.2	173.8	0	0	0	0	112
58	N	31.4	Very low	33.4	Very low	130 Å²	130	134.1 Å²	134.1	70%	0.695	77%	0.772	S	S	*	*			trans	-74.5	155.5	-168.6	-89.2	-12.4	0	0	0	117.5
59	N	31.7	Very low	32.2	Very low	122 Å²	122	138.7 Å²	138.7	65%	0.652	79%	0.787	S	S	*	*			trans	83.7	107.7	143.6	-69.8	-0.7	0	0	0	122
60	N	30.2	Very low	31.9	Very low	124 Å²	124	138.8 Å²	138.8	66%	0.663	79%	0.788	S	S	*	*				73.1	104.1	121.5	-54.9	-10.9	0	0	0	119.5
61	N	32	Very low	31.7	Very low	146 Å²	146	140.2 Å²	140.2	78%	0.781	78%	0.78	S	S	*	*				-169.7	161.4	87.9	-90.2	-41	0	0	0	112.7
62	N	29.4	Very low	31.6	Very low	143 Å²	143	140.8 Å²	140.8	77%	0.765	78%	0.783	S	S	*	*			trans	64.2	104.3	166.5	-54.7	-24.7	0	0	0	118.7
63	H	31.7	Very low	31.9	Very low	196 Å²	196	141.6 Å²	141.6	91%	0.907	78%	0.783	S	S	*	*				-171.3	141.5	112.5	-103.4	-77.5	0	0	0	109.8
64	K	30.6	Very low	32.2	Very low	187 Å²	187	138.2 Å²	138.2	81%	0.813	77%	0.772	S	S	*	*			trans	-111.3	99.2	-174.3	-175.3	176.7	178.8	176.4	0	112.1	T66	K64-T66 HydrophobicContact CG-CG2 4.41Å
65	T	30.1	Very low	32.6	Very low	139 Å²	139	138.9 Å²	138.9	85%	0.853	76%	0.761	S	S	*	*			trans	-108.8	119.7	164.5	39.7	0	0	0	0	109.4
66	T	30.4	Very low	33	Very low	111 Å²	111	141.9 Å²	141.9	68%	0.681	76%	0.762	S	S	*	*			trans	-100.4	108	178.4	43.5	0	0	0	0	111.3	K64	K64-T66 HydrophobicContact CG-CG2 4.41Å
67	L	31	Very low	33.3	Very low	169 Å²	169	141 Å²	141	89%	0.885	76%	0.756	S	S	*	*			trans	-91.7	159.5	148.1	-77.9	165.5	0	0	0	108.7
68	C	34	Very low	33.3	Very low	116 Å²	116	140.8 Å²	140.8	78%	0.784	75%	0.748	S	S	*	*			trans	-133.5	130.5	169.7	-63.2	0	0	0	0	108.8
69	E	31.3	Very low	33.5	Very low	185 Å²	185	140 Å²	140	86%	0.864	75%	0.748	S	S	*	*			trans	-131.2	143.5	175.3	-68.4	-176	124.1	0	0	109.6
70	D	34.3	Very low	33.7	Very low	141 Å²	141	141.9 Å²	141.9	75%	0.754	75%	0.753	S	S	*	*			trans	-159.6	140.5	-177.3	-78.2	-74	0	0	0	106.5
71	L	37.4	Very low	33.9	Very low	137 Å²	137	145 Å²	145	72%	0.717	76%	0.761	S	S	*	*			cis	-150.2	149.8	-8.8	-88.7	166.7	0	0	0	105.5
72	V	36.1	Very low	34	Very low	116 Å²	116	145.3 Å²	145.3	70%	0.703	76%	0.758	S	S	*	*				49.8	122.3	77.1	-172.9	0	0	0	0	111.3
73	D	37.8	Very low	34.2	Very low	142 Å²	142	145.3 Å²	145.3	76%	0.759	76%	0.757	S	S	*	*			cis	-163.7	173.6	11	-117.6	-0.2	0	0	0	109.2
74	S	35.3	Very low	34.4	Very low	96 Å²	96	139.7 Å²	139.7	67%	0.671	75%	0.745	S	S	*	*			cis	-175.4	170.6	-28.5	-111.2	0	0	0	0	112.4
75	D	37.4	Very low	34.6	Very low	121 Å²	121	137.4 Å²	137.4	65%	0.647	75%	0.746	S	S	*	*			trans	82.4	141.2	148.3	-134.6	-3.1	0	0	0	124.3
76	K	39.2	Very low	34.9	Very low	161 Å²	161	135 Å²	135	70%	0.7	74%	0.735	S	S	*	*			trans	72.6	147.6	155.5	-55	-161.3	-167.9	-47.8	0	123.8
77	L	34.9	Very low	34.9	Very low	133 Å²	133	136.4 Å²	136.4	70%	0.696	74%	0.739	S	S	*	*			cis	-176.4	136.7	-21.2	-176.3	63.9	0	0	0	113.3
78	I	33.5	Very low	35.1	Very low	141 Å²	141	135.9 Å²	135.9	72%	0.723	74%	0.737	S	S	*	*			trans	64.8	151.7	158.8	-76.6	169.3	0	0	0	117.1
79	T	35	Very low	34.9	Very low	113 Å²	113	138.8 Å²	138.8	69%	0.693	74%	0.736	S	S	*	*			cis	-136.8	156.8	10.5	-12.4	0	0	0	0	107.8
80	Q	36	Very low	34.9	Very low	162 Å²	162	137.6 Å²	137.6	76%	0.757	74%	0.736	S	S	*	*			cis	94.2	124.6	16.9	-162.7	-165.5	51.6	0	0	117.5
81	K	35.3	Very low	34.8	Very low	189 Å²	189	138.3 Å²	138.3	82%	0.822	74%	0.739	S	S	*	*			trans	113.9	154.2	166	-70.9	-171.4	176.8	-174.2	0	117.1
82	H	33.3	Very low	34.8	Very low	154 Å²	154	137.1 Å²	137.1	71%	0.713	74%	0.739	S	S	*	*				-170.1	169.6	-52.4	-132	-103	0	0	0	111.5
83	D	34.7	Very low	34.8	Very low	142 Å²	142	137 Å²	137	76%	0.759	74%	0.741	S	S	*	*			trans	72	149.4	158.2	-53.4	-34.4	0	0	0	120.7
84	A	34.6	Very low	34.3	Very low	78 Å²	78	140.1 Å²	140.1	65%	0.645	74%	0.744	S	S	*	*			cis	-171.7	172.6	-25	0	0	0	0	0	111.8
85	V	35	Very low	33.8	Very low	139 Å²	139	146.3 Å²	146.3	84%	0.842	75%	0.752	S	S	*	*			trans	71.1	136	160.3	-175.3	0	0	0	0	117.5
86	S	35.8	Very low	33.2	Very low	89 Å²	89	145.8 Å²	145.8	62%	0.622	76%	0.758	S	S	*	*			cis	-165.6	147.3	-17.8	56.5	0	0	0	0	114
87	N	30.7	Very low	32.7	Very low	141 Å²	141	143.2 Å²	143.2	75%	0.754	76%	0.761	S	S	*	*			trans	38.4	118.6	139.8	-50.1	-3.5	0	0	0	122
88	N	35.1	Very low	32.3	Very low	157 Å²	157	143.9 Å²	143.9	84%	0.84	76%	0.764	S	S	*	*				-174.4	172.4	92.4	-99.8	-28.1	0	0	0	113.8
89	F	29.5	Very low	32.1	Very low	178 Å²	178	142.3 Å²	142.3	78%	0.781	77%	0.766	S	S	*	*			trans	-83.3	144.8	-168.1	-80.5	-118.4	0	0	0	114.8
90	D	31.2	Very low	31.9	Very low	160 Å²	160	142.1 Å²	142.1	86%	0.856	77%	0.769	S	S	*	*				-169.5	165.3	107.3	-100.9	-29.4	0	0	0	112.7
91	L	32.9	Very low	31.6	Very low	156 Å²	156	146.3 Å²	146.3	82%	0.817	78%	0.778	S	S	*	*			trans	-94.8	173.3	-169.3	-108.6	73.8	0	0	0	114
92	P	38.5	Very low	31.4	Very low	111 Å²	111	143.5 Å²	143.5	72%	0.721	77%	0.771	S	S	*	*			trans	-122.8	-148.7	-141.2	45.7	-25.2	0	0	0	110.9
93	P	36.2	Very low	31.2	Very low	115 Å²	115	138.7 Å²	138.7	75%	0.747	76%	0.763	S	S	*	*			cis	-141.1	-164.3	42.6	38.9	-15.7	0	0	0	115.2
94	Y	25.9	Very low	31.4	Very low	207 Å²	207	140.3 Å²	140.3	81%	0.812	77%	0.766	S	S	*	*			trans	79.4	72.6	149.8	-154.9	-93.6	0	0	0	119.8
95	R	25.5	Very low	31.4	Very low	225 Å²	225	147.4 Å²	147.4	85%	0.849	78%	0.776	S	S	*	*				178.1	128.8	126.7	-104	176.4	-176.6	-97.5	2.1	113
96	S	25.4	Very low	31.5	Very low	111 Å²	111	146 Å²	146	78%	0.776	77%	0.768	S	S	*	*			trans	157.2	170	135.8	54.7	0	0	0	0	111.7
97	S	27.4	Very low	31.6	Very low	107 Å²	107	145.1 Å²	145.1	75%	0.748	75%	0.754	S	S	*	*			trans	46.5	81.2	169.5	64.1	0	0	0	0	118.5
98	L	27	Very low	32.3	Very low	146 Å²	146	141.5 Å²	141.5	76%	0.764	74%	0.738	S	S	*	*			trans	-140.3	29.3	162.7	-131.6	168	0	0	0	112.9
99	S	28.8	Very low	32.4	Very low	109 Å²	109	136.8 Å²	136.8	76%	0.762	71%	0.712	S	S	*	*	S	Bend	trans	-104.9	-6.8	-173.5	45.7	0	0	0	0	115.3
100	S	30.4	Very low	32.6	Very low	109 Å²	109	133.4 Å²	133.4	76%	0.762	70%	0.697	S	S	*	*	S	Bend	trans	-110.2	-11.3	-171.9	-58.3	0	0	0	0	116.2
101	W	30.9	Very low	32.8	Very low	249 Å²	249	128.6 Å²	128.6	94%	0.943	67%	0.671	S	S	*	*	S	Bend	trans	-100.4	-0.3	-173	-99.3	16.7	0	0	0	116
102	I	31.2	Very low	33	Very low	131 Å²	131	126.4 Å²	126.4	67%	0.672	66%	0.659	S	S	*	*	S	Bend	trans	-91.3	-0.4	-178.3	-67.9	168.7	0	0	0	112.2
103	G	29.8	Very low	32.8	Very low	53 Å²	53	123.8 Å²	123.8	55%	0.546	64%	0.639	S	S	.	*	S	Bend	trans	-73.6	-40.9	-166.1	0	0	0	0	0	117.6
104	E	37.7	Very low	33.1	Very low	175 Å²	175	121.5 Å²	121.5	82%	0.818	62%	0.617	S	S	*	*	S	Bend	trans	-129.6	-15.6	-151.9	-61.6	-174.3	142.9	0	0	116.8
105	R	34.9	Very low	33.6	Very low	228 Å²	228	116.2 Å²	116.2	86%	0.86	60%	0.604	S	S	*	*	S	Bend	trans	-108.6	10.8	-168.3	-70.4	-174.5	173.1	-176.6	-3.6	116.3	P108	R105-P108 WeakPolarHBondContact O-CD 3.32Å
106	T	36.8	Very low	34.2	Very low	110 Å²	110	112.9 Å²	112.9	68%	0.675	60%	0.597	S	S	*	*	S	Bend	trans	-92.6	-6.7	178.7	50.2	0	0	0	0	114.8
107	E	38	Very low	34.6	Very low	70 Å²	70	111.1 Å²	111.1	33%	0.327	58%	0.579	S	S	.	*	H	α-helix	trans	-75.4	-19.1	-179.4	-66	-160.9	-140.6	0	0	118.1	N111 K418	E107-N111 PolarHBondContact O-ND2 3.06Å; E107-K418 VanDerWaalsContact OE1-CD 3.31Å; E107-K418 WeakPolarHBondContact OE1-CD 3.47Å; E107-K418 VanDerWaalsContact OE1-CE 3.24Å; E107-K418 WeakPolarHBondContact OE1-CE 3.49Å; E107-K418 IonicContact OE1-NZ 2.64Å; E107-K418 PolarHBondContact OE1-NZ 2.93Å
108	P	44.7	Very low	34.9	Very low	65 Å²	65	109.6 Å²	109.6	42%	0.422	57%	0.565	S	S	.	*	H	α-helix	trans	-70.1	-39.3	-175.3	26.3	-32.1	0	0	0	112.6	R105 F110 N111 I112	R105-P108 WeakPolarHBondContact O-CD 3.32Å; P108-F110 PolarHBondContact O-N 2.89Å; P108-N111 PolarHBondContact O-N 3.49Å; P108-I112 HydrophobicContact CB-CD1 4.01Å; P108-I112 VanDerWaalsContact O-CB 3.32Å; P108-I112 WeakPolarHBondContact O-CB 3.3Å; P108-I112 WeakPolarHBondContact O-CD1 3.4Å; P108-I112 WeakPolarHBondContact O-CG1 3.34Å; P108-I112 PolarHBondContact O-N 2.74Å
109	I	38.1	Very low	35.1	Very low	58 Å²	58	104.8 Å²	104.8	30%	0.297	54%	0.54	S	S	.	.	H	α-helix	trans	-62.5	-48.4	-170.7	-57	176.5	0	0	0	111.6	M36 N111 I112 L113	M36-I109 HydrophobicContact CB-CD1 4.46Å; M36-I109 HydrophobicContact CE-CD1 3.98Å; M36-I109 HydrophobicContact CE-CG1 4.1Å; I109-N111 PolarHBondContact O-N 2.97Å; I109-I112 PolarHBondContact O-N 3.42Å; I109-L113 HydrophobicContact CG2-CD1 3.92Å; I109-L113 WeakPolarHBondContact O-CB 3.42Å; I109-L113 VanDerWaalsContact O-CG 3.32Å; I109-L113 WeakPolarHBondContact O-CG 3.32Å; I109-L113 PolarHBondContact O-N 3.29Å
110	F	32.7	Very low	34.9	Very low	106 Å²	106	103.9 Å²	103.9	47%	0.465	53%	0.531	S	S	.	.	H	α-helix	trans	-66.7	-37.7	179.2	-116.8	-81.8	0	0	0	112.4	P108 F114	P108-F110 PolarHBondContact O-N 2.89Å; F110-F114 AromaticContact CD1-CD2 3.63Å; F110-F114 HydrophobicContact CD1-CD2 3.63Å; F110-F114 AromaticContact CD1-CE2 3.78Å; F110-F114 HydrophobicContact CD1-CE2 3.78Å; F110-F114 AromaticContact CE1-CD2 3.88Å; F110-F114 HydrophobicContact CE1-CD2 3.88Å; F110-F114 AromaticContact CE1-CE2 3.55Å; F110-F114 HydrophobicContact CE1-CE2 3.55Å; F110-F114 HydrophobicContact CE1-CZ 4.27Å; F110-F114 HydrophobicContact CZ-CE2 4.38Å; F110-F114 WeakPolarHBondContact O-CB 3.43Å; F110-F114 WeakPolarHBondContact O-CD2 3.07Å; F110-F114 PolarHBondContact O-N 3.37Å; F110-F114 VanDerWaalsContact O-N 3.08Å
111	N	36.4	Very low	35	Very low	59 Å²	59	105.2 Å²	105.2	32%	0.316	53%	0.53	S	S	.	.	H	α-helix	trans	-73.1	-37.9	178.9	-68.9	-40.3	0	0	0	111.8	E107 P108 I109 N115	E107-N111 PolarHBondContact O-ND2 3.06Å; P108-N111 PolarHBondContact O-N 3.49Å; I109-N111 PolarHBondContact O-N 2.97Å; N111-N115 WeakPolarHBondContact O-CB 2.98Å; N111-N115 PolarHBondContact O-N 3Å; N111-N115 PolarHBondContact O-ND2 2.94Å; N111-N115 PolarHBondContact O-OD1 3.44Å
112	I	38	Very low	35	Very low	110 Å²	110	97.9 Å²	97.9	56%	0.564	51%	0.509	S	S	*	.	H	α-helix	trans	-64.4	-40.9	175.4	-70.7	165.1	0	0	0	111.3	P108 I109	P108-I112 HydrophobicContact CB-CD1 4.01Å; P108-I112 VanDerWaalsContact O-CB 3.32Å; P108-I112 WeakPolarHBondContact O-CB 3.3Å; P108-I112 WeakPolarHBondContact O-CD1 3.4Å; P108-I112 WeakPolarHBondContact O-CG1 3.34Å; P108-I112 PolarHBondContact O-N 2.74Å; I109-I112 PolarHBondContact O-N 3.42Å
113	L	34.2	Very low	35	Very low	56 Å²	56	97.6 Å²	97.6	29%	0.293	50%	0.5	S	S	.	.	H	α-helix	trans	-70.1	-41.7	178.4	-71.6	169.1	0	0	0	112.8	R29 I109	R29-L113 HydrophobicContact CG-CD2 4.24Å; I109-L113 HydrophobicContact CG2-CD1 3.92Å; I109-L113 WeakPolarHBondContact O-CB 3.42Å; I109-L113 VanDerWaalsContact O-CG 3.32Å; I109-L113 WeakPolarHBondContact O-CG 3.32Å; I109-L113 PolarHBondContact O-N 3.29Å
114	F	41	Very low	34.9	Very low	67 Å²	67	100.4 Å²	100.4	29%	0.294	51%	0.512	S	S	.	.	H	α-helix	trans	-101.2	-12.9	-170.8	-72.8	-91.8	0	0	0	115.6	F110 Q116 L117	F110-F114 AromaticContact CD1-CD2 3.63Å; F110-F114 HydrophobicContact CD1-CD2 3.63Å; F110-F114 AromaticContact CD1-CE2 3.78Å; F110-F114 HydrophobicContact CD1-CE2 3.78Å; F110-F114 AromaticContact CE1-CD2 3.88Å; F110-F114 HydrophobicContact CE1-CD2 3.88Å; F110-F114 AromaticContact CE1-CE2 3.55Å; F110-F114 HydrophobicContact CE1-CE2 3.55Å; F110-F114 HydrophobicContact CE1-CZ 4.27Å; F110-F114 HydrophobicContact CZ-CE2 4.38Å; F110-F114 WeakPolarHBondContact O-CB 3.43Å; F110-F114 WeakPolarHBondContact O-CD2 3.07Å; F110-F114 PolarHBondContact O-N 3.37Å; F110-F114 VanDerWaalsContact O-N 3.08Å; F114-Q116 PolarHBondContact O-N 3.2Å; F114-L117 HydrophobicContact CD1-CD1 3.88Å; F114-L117 HydrophobicContact CE1-CD1 4.21Å; F114-L117 PolarHBondContact O-N 3.38Å; F114-L117 VanDerWaalsContact O-N 3.12Å
115	N	36.5	Very low	34.4	Very low	97 Å²	97	99.9 Å²	99.9	52%	0.519	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-62.6	-30.5	173.2	-81	-8.3	0	0	0	112.3	N111 L117 T118	N111-N115 WeakPolarHBondContact O-CB 2.98Å; N111-N115 PolarHBondContact O-N 3Å; N111-N115 PolarHBondContact O-ND2 2.94Å; N111-N115 PolarHBondContact O-OD1 3.44Å; N115-L117 PolarHBondContact O-N 3.39Å; N115-T118 PolarHBondContact O-N 3.36Å; N115-T118 PolarHBondContact O-OG1 2.7Å
116	Q	38.4	Very low	34.1	Very low	154 Å²	154	97.1 Å²	97.1	72%	0.72	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-70.3	-7.1	177	-63.8	-71	14.5	0	0	113.8	F114	F114-Q116 PolarHBondContact O-N 3.2Å
117	L	32.8	Very low	33.6	Very low	75 Å²	75	99.3 Å²	99.3	39%	0.393	52%	0.517	S	S	.	.	G	3₁₀ helix	trans	-99.5	3.2	175.4	-66	172	0	0	0	113	F114 N115 L119 Q502 A504	F114-L117 HydrophobicContact CD1-CD1 3.88Å; F114-L117 HydrophobicContact CE1-CD1 4.21Å; F114-L117 PolarHBondContact O-N 3.38Å; F114-L117 VanDerWaalsContact O-N 3.12Å; N115-L117 PolarHBondContact O-N 3.39Å; L117-L119 PolarHBondContact O-N 3.3Å; L117-Q502 PolarHBondContact O-NE2 3.3Å; L117-A504 HydrophobicContact CD1-CB 4.12Å
118	T	34	Very low	33.1	Very low	74 Å²	74	101.2 Å²	101.2	45%	0.454	54%	0.538	S	S	.	.	S	Bend	trans	-76.5	87.3	-179.5	63.9	0	0	0	0	113.1	N115	N115-T118 PolarHBondContact O-N 3.36Å; N115-T118 PolarHBondContact O-OG1 2.7Å
119	L	32.2	Very low	32.3	Very low	46 Å²	46	103.2 Å²	103.2	24%	0.241	55%	0.549	C	S	.	.			trans	45.4	79.1	140.3	-67.8	149.5	0	0	0	116.3	L117 N121 L122 Y123	L117-L119 PolarHBondContact O-N 3.3Å; L119-N121 PolarHBondContact O-N 2.86Å; L119-L122 HydrophobicContact CD2-CB 4.47Å; L119-L122 HydrophobicContact CD2-CD1 4.22Å; L119-Y123 HydrophobicContact CB-CD2 4.36Å; L119-Y123 HydrophobicContact CD1-CD2 4.14Å; L119-Y123 HydrophobicContact CD1-CE2 3.67Å; L119-Y123 HydrophobicContact CD2-CE2 4.2Å; L119-Y123 HydrophobicContact CG-CE2 4.37Å
120	P	25.1	Very low	31.8	Very low	89 Å²	89	106.8 Å²	106.8	58%	0.578	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.1	132.6	156.1	-18.1	31.3	0	0	0	109.9	L122	P120-L122 PolarHBondContact O-N 3.14Å
121	N	31.9	Very low	31.7	Very low	137 Å²	137	108.7 Å²	108.7	73%	0.733	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.2	15	156.3	-50.5	-19.6	0	0	0	119.7	L119	L119-N121 PolarHBondContact O-N 2.86Å
122	L	31.2	Very low	31.2	Very low	96 Å²	96	111.6 Å²	111.6	50%	0.503	61%	0.605	S	S	.	*	S	Bend	trans	-110.3	1.3	174.2	-76.9	178.7	0	0	0	116.2	L119 P120	L119-L122 HydrophobicContact CD2-CB 4.47Å; L119-L122 HydrophobicContact CD2-CD1 4.22Å; P120-L122 PolarHBondContact O-N 3.14Å
123	Y	30.9	Very low	30.9	Very low	124 Å²	124	114 Å²	114	49%	0.486	62%	0.619	S	S	.	*			trans	-134.7	66.6	-173.6	-75.3	-93.5	0	0	0	113.6	L119	L119-Y123 HydrophobicContact CB-CD2 4.36Å; L119-Y123 HydrophobicContact CD1-CD2 4.14Å; L119-Y123 HydrophobicContact CD1-CE2 3.67Å; L119-Y123 HydrophobicContact CD2-CE2 4.2Å; L119-Y123 HydrophobicContact CG-CE2 4.37Å
124	S	26.5	Very low	30.6	Very low	113 Å²	113	117.1 Å²	117.1	79%	0.79	64%	0.637	S	S	*	*			trans	-129.8	3.8	169.5	-65.7	0	0	0	0	114.9	Q126	S124-Q126 PolarHBondContact O-N 3.01Å
125	I	28.3	Very low	30.3	Very low	164 Å²	164	120.9 Å²	120.9	84%	0.841	66%	0.659	S	S	*	*			trans	-75.2	95.8	165.7	-58.7	179.6	0	0	0	107	N127	I125-N127 PolarHBondContact O-N 3.33Å
126	Q	28.8	Very low	30.2	Very low	170 Å²	170	122.5 Å²	122.5	79%	0.794	67%	0.668	S	S	*	*			trans	-67.2	118.8	172.4	-66.9	177.8	-18.1	0	0	108.7	S124 S128	S124-Q126 PolarHBondContact O-N 3.01Å; Q126-S128 PolarHBondContact O-N 3.25Å
127	N	26.5	Very low	30	Very low	155 Å²	155	122.1 Å²	122.1	83%	0.829	67%	0.671	S	S	*	*			trans	-64.6	104.7	158.5	-78.9	0.6	0	0	0	106.8	I125 T129	I125-N127 PolarHBondContact O-N 3.33Å; N127-T129 PolarHBondContact O-N 2.77Å; N127-T129 VanDerWaalsContact O-N 3.14Å
128	S	26.1	Very low	30	Very low	110 Å²	110	125.4 Å²	125.4	77%	0.769	69%	0.688	S	S	*	*			trans	-61.2	113.9	179.6	37.7	0	0	0	0	110.1	Q126	Q126-S128 PolarHBondContact O-N 3.25Å
129	T	28.2	Very low	30	Very low	107 Å²	107	128.1 Å²	128.1	66%	0.656	70%	0.699	S	S	*	*			trans	-64	130.3	163.6	40.9	0	0	0	0	108.4	N127 I131	N127-T129 PolarHBondContact O-N 2.77Å; N127-T129 VanDerWaalsContact O-N 3.14Å; T129-I131 VanDerWaalsContact C-N 3.29Å; T129-I131 PolarHBondContact O-N 3.32Å
130	P	28.7	Very low	30	Very low	134 Å²	134	132.3 Å²	132.3	87%	0.87	72%	0.722	S	S	*	*			trans	-74	85.5	177	29.6	-33.7	0	0	0	109.5	N132	P130-N132 PolarHBondContact O-N 3.39Å
131	I	29.7	Very low	30.5	Very low	146 Å²	146	134.3 Å²	134.3	75%	0.749	73%	0.726	S	S	*	*			trans	-83.9	103.4	174.1	-62.1	-177.9	0	0	0	108.8	T129	T129-I131 VanDerWaalsContact C-N 3.29Å; T129-I131 PolarHBondContact O-N 3.32Å
132	N	26.9	Very low	30.6	Very low	119 Å²	119	135.1 Å²	135.1	64%	0.636	73%	0.731	S	S	*	*			trans	11.9	118	151.6	-172.3	26.6	0	0	0	117.4	P130	P130-N132 PolarHBondContact O-N 3.39Å
133	N	31.4	Very low	30.6	Very low	160 Å²	160	135.6 Å²	135.6	86%	0.856	74%	0.742	S	S	*	*			trans	-125.1	128.6	153.9	-118.7	-17.1	0	0	0	108.2
134	N	28.5	Very low	30.6	Very low	123 Å²	123	134.9 Å²	134.9	66%	0.658	75%	0.753	S	S	*	*			trans	-65	144.4	-172.5	-56.1	-45.6	0	0	0	112.1
135	N	33.7	Very low	30.8	Very low	145 Å²	145	138.8 Å²	138.8	78%	0.775	76%	0.758	S	S	*	*			trans	-167.2	100.2	134.8	-97.5	-31.7	0	0	0	112.2
136	N	34.3	Very low	31.1	Very low	132 Å²	132	135.1 Å²	135.1	71%	0.706	75%	0.752	S	S	*	*			trans	55.4	134.9	139.6	-54.4	-18	0	0	0	122.5
137	N	33.9	Very low	31.1	Very low	146 Å²	146	135 Å²	135	78%	0.781	76%	0.757	S	S	*	*			trans	96.7	126.5	143.4	-70	-3.7	0	0	0	121.5
138	I	34.1	Very low	31.4	Very low	144 Å²	144	133 Å²	133	74%	0.738	75%	0.753	S	S	*	*			trans	82.7	78.7	152.3	-57.3	155.9	0	0	0	117
139	N	32.8	Very low	31.8	Very low	130 Å²	130	137.1 Å²	137.1	70%	0.695	76%	0.757	S	S	*	*				62.8	143.3	115.3	-58.5	13.3	0	0	0	123.1
140	D	32.5	Very low	31.9	Very low	134 Å²	134	139.3 Å²	139.3	72%	0.717	77%	0.765	S	S	*	*			trans	73.3	138.8	147.6	-58.6	-19.9	0	0	0	120.3
141	I	36.3	Very low	31.8	Very low	131 Å²	131	137.7 Å²	137.7	67%	0.672	76%	0.755	S	S	*	*			cis	-162.1	141.1	-18.9	-121.8	162.4	0	0	0	108.8
142	N	33.3	Very low	31.6	Very low	154 Å²	154	140 Å²	140	82%	0.824	76%	0.76	S	S	*	*			trans	57.8	166.5	167.3	-64.6	-18.6	0	0	0	119
143	S	31.2	Very low	31.6	Very low	106 Å²	106	139.2 Å²	139.2	74%	0.741	76%	0.763	S	S	*	*			cis	-162.9	144.3	-42.4	-169.8	0	0	0	0	108.3
144	P	31.2	Very low	31.3	Very low	109 Å²	109	139.5 Å²	139.5	71%	0.708	76%	0.764	S	S	*	*			trans	-102.9	160.1	-162.2	38.6	-36.2	0	0	0	116.2
145	H	31	Very low	31.1	Very low	196 Å²	196	139.8 Å²	139.8	91%	0.907	78%	0.776	S	S	*	*			trans	-158.2	150	162.9	-117.7	-85.8	0	0	0	116.1
146	A	34	Very low	30.8	Very low	87 Å²	87	136.1 Å²	136.1	72%	0.719	77%	0.772	S	S	*	*			trans	69.1	87.6	150.9	0	0	0	0	0	123
147	N	29.4	Very low	30.5	Very low	168 Å²	168	139.7 Å²	139.7	90%	0.898	78%	0.777	S	S	*	*				41.4	133.8	120.9	-126.1	-0.8	0	0	0	122.6
148	P	31.4	Very low	30.2	Very low	113 Å²	113	140.9 Å²	140.9	73%	0.734	78%	0.778	S	S	*	*			trans	-100.1	152.7	-171.2	38.9	-34.8	0	0	0	116.4
149	K	34.3	Very low	29.7	Very low	195 Å²	195	136.9 Å²	136.9	85%	0.848	77%	0.772	S	S	*	*			trans	-150.9	150	161.9	-69.6	-171.2	-179.3	173.5	0	112.1
150	N	31.1	Very low	29.5	Very low	154 Å²	154	138.5 Å²	138.5	82%	0.824	78%	0.781	S	S	*	*			trans	62.4	160.8	165.9	-67.4	-15.8	0	0	0	117.6
151	C	27.1	Very low	29.2	Very low	100 Å²	100	139.3 Å²	139.3	68%	0.676	78%	0.784	S	S	*	*			cis	175.2	105.2	-42.3	-107.3	0	0	0	0	108
152	K	25.6	Very low	28.9	Very low	194 Å²	194	139.2 Å²	139.2	84%	0.843	79%	0.791	S	S	*	*			trans	69.4	155.8	150.6	-56.2	177.2	179.5	174.3	0	121.5
153	S	27.3	Very low	28.5	Very low	102 Å²	102	136.4 Å²	136.4	71%	0.713	78%	0.784	S	S	*	*			trans	74.7	105.5	148.7	30.7	0	0	0	0	120.8
154	L	24	Very low	28.5	Very low	166 Å²	166	139.6 Å²	139.6	87%	0.869	79%	0.792	S	S	*	*			trans	20.1	122.5	137.5	-66.7	81.5	0	0	0	118.7
155	S	25.4	Very low	28.3	Very low	129 Å²	129	145.9 Å²	145.9	90%	0.902	80%	0.801	S	S	*	*				177	172.2	100.4	48.1	0	0	0	0	110.3
156	G	26.9	Very low	28	Very low	68 Å²	68	139.9 Å²	139.9	70%	0.701	79%	0.792	S	S	*	*			trans	111.3	86.5	165.5	0	0	0	0	0	117
157	Y	27.8	Very low	27.7	Very low	207 Å²	207	142.2 Å²	142.2	81%	0.812	80%	0.802	S	S	*	*				47.4	131.7	126.6	-88.2	-115.1	0	0	0	122.8
158	E	26.6	Very low	27.5	Very low	172 Å²	172	143.2 Å²	143.2	80%	0.804	80%	0.801	S	S	*	*			trans	68.1	135.6	141.6	-71.7	175.2	172.2	0	0	122.8
159	G	24.9	Very low	27.4	Very low	59 Å²	59	145.9 Å²	145.9	61%	0.608	81%	0.808	S	S	*	*			trans	72.6	97.1	141.2	0	0	0	0	0	119
160	N	28.8	Very low	27	Very low	165 Å²	165	143.8 Å²	143.8	88%	0.882	81%	0.805	S	S	*	*				171.9	157	88.3	-88	-58.7	0	0	0	113.7
161	I	26	Very low	27.1	Very low	150 Å²	150	141.3 Å²	141.3	77%	0.769	80%	0.798	S	S	*	*			trans	-89.2	133.6	174.4	-63	162.5	0	0	0	109.8
162	P	30.8	Very low	26.9	Very low	129 Å²	129	143.5 Å²	143.5	84%	0.838	80%	0.803	S	S	*	*			trans	-96.3	115	158	0.5	19.8	0	0	0	110.1
163	S	23.6	Very low	27.2	Very low	95 Å²	95	141.4 Å²	141.4	66%	0.664	80%	0.801	S	S	*	*			trans	-112.7	110.7	-179.1	51.9	0	0	0	0	112.8
164	L	32.4	Very low	27.2	Very low	173 Å²	173	141.4 Å²	141.4	91%	0.906	80%	0.801	S	S	*	*			trans	-137	107.6	169.2	-67.5	173	0	0	0	106.6
165	R	26.6	Very low	27.3	Very low	242 Å²	242	138.6 Å²	138.6	91%	0.913	80%	0.795	S	S	*	*			cis	90.7	110.2	29.6	-159.1	-173.3	-155.5	-147.6	6.5	112.9
166	G	24.7	Very low	27.5	Very low	69 Å²	69	137.9 Å²	137.9	71%	0.711	79%	0.79	S	S	*	*			trans	98.7	133.8	178.6	0	0	0	0	0	112.6
167	C	27.8	Very low	27.4	Very low	137 Å²	137	143.6 Å²	143.6	93%	0.926	80%	0.796	S	S	*	*			cis	-142.4	155.5	-2.1	-73	0	0	0	0	111.1
168	Q	23.6	Very low	27.4	Very low	189 Å²	189	141.7 Å²	141.7	88%	0.883	80%	0.798	S	S	*	*			trans	-91.6	137.3	166.2	-65.5	171.5	-22.3	0	0	109.6
169	I	31	Very low	27.3	Very low	169 Å²	169	139.1 Å²	139.1	87%	0.867	79%	0.79	S	S	*	*			trans	-138.7	147.3	146.3	-62	-171.9	0	0	0	106.9
170	N	26.1	Very low	27.5	Very low	150 Å²	150	144.5 Å²	144.5	80%	0.802	80%	0.801	S	S	*	*			trans	-84.9	168.6	-171.2	-93	-18.4	0	0	0	113.9
171	P	31.8	Very low	27.6	Very low	102 Å²	102	143.3 Å²	143.3	66%	0.662	79%	0.79	S	S	*	*			trans	-78.9	168.3	-179.4	34.9	-38.9	0	0	0	113.7
172	D	24.5	Very low	27.8	Very low	147 Å²	147	144.3 Å²	144.3	79%	0.786	79%	0.789	S	S	*	*			trans	155.8	-179.8	132.5	-75.6	-21.4	0	0	0	111.6
173	D	31	Very low	27.6	Very low	150 Å²	150	143.6 Å²	143.6	80%	0.802	79%	0.787	S	S	*	*			trans	65	72.8	169.6	-65.3	-10.1	0	0	0	121.3
174	S	26.4	Very low	27.9	Very low	101 Å²	101	147.9 Å²	147.9	71%	0.706	80%	0.797	S	S	*	*				46.7	137.5	115.1	73	0	0	0	0	124.4
175	S	26.1	Very low	27.8	Very low	107 Å²	107	143.9 Å²	143.9	75%	0.748	78%	0.782	S	S	*	*			trans	97.3	156.5	136.3	85	0	0	0	0	121.3
176	S	29.9	Very low	28	Very low	115 Å²	115	139.8 Å²	139.8	80%	0.804	78%	0.778	S	S	*	*			trans	60.5	114.2	-169.4	68.5	0	0	0	0	114.7
177	F	24.5	Very low	28.4	Very low	187 Å²	187	144 Å²	144	82%	0.82	78%	0.778	S	S	*	*			cis	75.9	91.3	25.6	-157.1	-80.1	0	0	0	115.4	D179	F177-D179 HydrophobicContact CZ-CB 4.45Å
178	I	29	Very low	28.8	Very low	168 Å²	168	140.3 Å²	140.3	86%	0.862	75%	0.754	S	S	*	*			trans	-133.9	132.9	143.7	-65.2	-174.3	0	0	0	107.2
179	D	23.1	Very low	29.3	Very low	117 Å²	117	137.9 Å²	137.9	63%	0.626	75%	0.747	S	S	*	*			trans	-95.2	138.1	175.6	170.8	26.5	0	0	0	110.1	F177 Q181	F177-D179 HydrophobicContact CZ-CB 4.45Å; D179-Q181 PolarHBondContact OD1-N 2.92Å
180	M	29.6	Very low	29.4	Very low	173 Å²	173	136.5 Å²	136.5	85%	0.852	74%	0.741	S	S	*	*			trans	-150.2	83.3	167.5	-165.5	143.6	65.7	0	0	113.5
181	Q	31.6	Very low	29.9	Very low	139 Å²	139	135.7 Å²	135.7	65%	0.65	74%	0.736	S	S	*	*			trans	19.1	126.8	140.2	-55	-170.2	31.7	0	0	120.3	D179	D179-Q181 PolarHBondContact OD1-N 2.92Å
182	K	30	Very low	29.9	Very low	172 Å²	172	137.2 Å²	137.2	75%	0.748	74%	0.738	S	S	*	*			trans	62.7	100.1	134.1	-67	178.1	178.5	173	0	120
183	S	26.3	Very low	30.1	Very low	114 Å²	114	133.6 Å²	133.6	80%	0.797	72%	0.724	S	S	*	*				56.5	59.9	123.1	68.2	0	0	0	0	120
184	E	30.9	Very low	30.3	Very low	184 Å²	184	136.1 Å²	136.1	86%	0.86	73%	0.728	S	S	*	*			trans	-155.9	89.1	160.5	-120.3	171	-127.5	0	0	111.4
185	C	30	Very low	30.3	Very low	89 Å²	89	140 Å²	140	60%	0.601	73%	0.728	S	S	*	*			trans	-145.5	-27.9	-177.2	-152.6	0	0	0	0	117	H187 S188	C185-H187 VanDerWaalsContact C-N 3.29Å; C185-H187 PolarHBondContact O-N 3.33Å; C185-S188 PolarHBondContact O-N 2.91Å
186	L	31	Very low	30.6	Very low	157 Å²	157	140.2 Å²	140.2	82%	0.822	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-18.7	179.5	-66.4	-179.1	0	0	0	114.2
187	H	33.5	Very low	30.9	Very low	156 Å²	156	138.1 Å²	138.1	72%	0.722	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-21.7	177	-119.8	-86.6	0	0	0	113.7	C185	C185-H187 VanDerWaalsContact C-N 3.29Å; C185-H187 PolarHBondContact O-N 3.33Å
188	S	34.8	Very low	31.4	Very low	60 Å²	60	136.1 Å²	136.1	42%	0.42	71%	0.708	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.1	-17.4	-169.2	-51.3	0	0	0	0	114.1	C185 N192	C185-S188 PolarHBondContact O-N 2.91Å; S188-N192 PolarHBondContact O-ND2 3.38Å
189	L	34.7	Very low	31.7	Very low	138 Å²	138	136 Å²	136	72%	0.723	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-15.4	-176.1	-70.7	168.9	0	0	0	114.1
190	L	33.8	Very low	32.5	Very low	141 Å²	141	134.6 Å²	134.6	74%	0.738	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-6.8	-178.5	-75.9	169.8	0	0	0	114.7
191	L	36.6	Very low	32.7	Very low	133 Å²	133	129.4 Å²	129.4	70%	0.696	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.9	-13.3	-172.8	-75.4	165.2	0	0	0	114.9	S193	L191-S193 PolarHBondContact O-N 3.01Å
192	N	30.7	Very low	33.3	Very low	134 Å²	134	127 Å²	127	72%	0.717	68%	0.68	S	S	*	*			trans	-95.2	52.2	-175.1	-77.7	-53.3	0	0	0	113.9	S188 K194	S188-N192 PolarHBondContact O-ND2 3.38Å; N192-K194 PolarHBondContact O-N 3.48Å
193	S	29.7	Very low	33.7	Very low	71 Å²	71	124.3 Å²	124.3	50%	0.497	67%	0.674	S	S	.	*			trans	-73.6	114.2	166.9	55.8	0	0	0	0	110.3	L191 Y195	L191-S193 PolarHBondContact O-N 3.01Å; S193-Y195 PolarHBondContact O-N 3.49Å; S193-Y195 PolarHBondContact OG-O 3.33Å
194	K	33.8	Very low	34.6	Very low	202 Å²	202	123.8 Å²	123.8	88%	0.878	66%	0.661	S	S	*	*	S	Bend	trans	-68.2	22.6	171.2	-77.5	-170.9	173.1	-178.1	0	114.5	N192	N192-K194 PolarHBondContact O-N 3.48Å
195	Y	27.7	Very low	34.9	Very low	182 Å²	182	121.4 Å²	121.4	71%	0.714	65%	0.647	S	S	*	*	S	Bend	trans	-135.1	131.7	177.2	-64.3	-78	0	0	0	108.7	S193 T197	S193-Y195 PolarHBondContact O-N 3.49Å; S193-Y195 PolarHBondContact OG-O 3.33Å; Y195-T197 PolarHBondContact O-N 2.97Å
196	P	32.6	Very low	35.4	Very low	113 Å²	113	121.4 Å²	121.4	73%	0.734	64%	0.64	S	S	*	*			trans	-72.4	110.9	-176.7	28.2	-33.5	0	0	0	110.8	N198	P196-N198 PolarHBondContact O-N 2.84Å
197	T	34.7	Very low	35.7	Very low	71 Å²	71	118.1 Å²	118.1	44%	0.436	62%	0.623	S	S	.	*			trans	-77.6	41.2	-177.6	61.2	0	0	0	0	113.7	Y195 N199 I200	Y195-T197 PolarHBondContact O-N 2.97Å; T197-N199 PolarHBondContact O-N 3.05Å; T197-I200 HydrophobicContact CG2-CD1 3.91Å
198	N	35	Very low	35.8	Very low	144 Å²	144	115.9 Å²	115.9	77%	0.77	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	45.7	-175.5	-68.2	6.2	0	0	0	112.5	P196	P196-N198 PolarHBondContact O-N 2.84Å
199	N	35.8	Very low	36.1	Very low	166 Å²	166	117.8 Å²	117.8	89%	0.888	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-164.9	9.1	170.1	-108.9	-26.1	0	0	0	114.9	T197 S201	T197-N199 PolarHBondContact O-N 3.05Å; N199-S201 PolarHBondContact O-N 2.9Å
200	I	39.8	Very low	36.3	Very low	88 Å²	88	119.3 Å²	119.3	45%	0.451	62%	0.617	S	S	.	*			trans	-83.1	109	179.7	-57.9	-176.8	0	0	0	109.9	T197 I204	T197-I200 HydrophobicContact CG2-CD1 3.91Å; I200-I204 HydrophobicContact CG2-CB 3.9Å; I200-I204 HydrophobicContact CG2-CD1 4.23Å; I200-I204 HydrophobicContact CG2-CG2 4.03Å
201	S	33.8	Very low	36.4	Very low	64 Å²	64	117 Å²	117	45%	0.448	61%	0.612	S	S	.	*			trans	-54.5	139.3	176.8	176.4	0	0	0	0	112.5	N199 N203 I204	N199-S201 PolarHBondContact O-N 2.9Å; S201-N203 PolarHBondContact O-N 2.82Å; S201-I204 WeakPolarHBondContact O-CB 3.09Å; S201-I204 PolarHBondContact O-N 3.02Å
202	S	43.5	Very low	36.4	Very low	89 Å²	89	114.3 Å²	114.3	62%	0.622	60%	0.598	S	S	*	*	H	α-helix	trans	-51.5	-33.6	-179.6	-48.8	0	0	0	0	113.4	I204 K205 M206	S202-I204 PolarHBondContact O-N 3.12Å; S202-K205 PolarHBondContact O-N 3.2Å; S202-M206 WeakPolarHBondContact O-CG 2.92Å; S202-M206 PolarHBondContact O-N 3.2Å
203	N	38.3	Very low	36.7	Very low	115 Å²	115	118.1 Å²	118.1	62%	0.615	61%	0.608	S	S	*	*	H	α-helix	trans	-61.6	-31.2	177.8	-68.9	-18.6	0	0	0	112.8	S201 N207	S201-N203 PolarHBondContact O-N 2.82Å; N203-N207 WeakPolarHBondContact O-CB 3.49Å; N203-N207 PolarHBondContact O-N 3.22Å; N203-N207 PolarHBondContact O-ND2 2.94Å
204	I	46.3	Very low	37	Very low	103 Å²	103	119.1 Å²	119.1	53%	0.528	61%	0.611	S	S	.	*	H	α-helix	trans	-72.1	-41.7	178.1	-58	174.3	0	0	0	110.1	I200 S201 S202 N207 L208	I200-I204 HydrophobicContact CG2-CB 3.9Å; I200-I204 HydrophobicContact CG2-CD1 4.23Å; I200-I204 HydrophobicContact CG2-CG2 4.03Å; S201-I204 WeakPolarHBondContact O-CB 3.09Å; S201-I204 PolarHBondContact O-N 3.02Å; S202-I204 PolarHBondContact O-N 3.12Å; I204-N207 PolarHBondContact O-N 2.77Å; I204-L208 PolarHBondContact O-N 2.92Å
205	K	37.4	Very low	36.9	Very low	133 Å²	133	114.6 Å²	114.6	58%	0.578	60%	0.597	S	S	*	*	H	α-helix	trans	-61.5	-47	172.6	-78.7	-172.6	173.3	-177	0	111.7	S202 N207 L208 I209	S202-K205 PolarHBondContact O-N 3.2Å; K205-N207 VanDerWaalsContact C-N 3.32Å; K205-N207 PolarHBondContact O-N 3.44Å; K205-L208 WeakPolarHBondContact O-CB 3.24Å; K205-L208 PolarHBondContact O-N 3.37Å; K205-I209 WeakPolarHBondContact O-CG1 3.4Å; K205-I209 PolarHBondContact O-N 2.9Å; K205-I209 VanDerWaalsContact O-N 3.08Å
206	M	41.1	Very low	37.5	Very low	89 Å²	89	114.7 Å²	114.7	44%	0.438	60%	0.603	S	S	.	*	H	α-helix	trans	-65.2	-34.1	179.4	-64.6	-54.4	-65.3	0	0	112.8	S202 I209 R210	S202-M206 WeakPolarHBondContact O-CG 2.92Å; S202-M206 PolarHBondContact O-N 3.2Å; M206-I209 HydrophobicContact SD-CD1 4.38Å; M206-R210 WeakPolarHBondContact O-CG 3.45Å; M206-R210 PolarHBondContact O-N 3.17Å; M206-R210 VanDerWaalsContact O-N 3.11Å
207	N	35.9	Very low	37.8	Very low	89 Å²	89	114.7 Å²	114.7	48%	0.476	60%	0.601	S	S	.	*	H	α-helix	trans	-71.7	-38.1	174.5	-73.2	-8.6	0	0	0	112.2	N203 I204 K205 I209 R210 S211	N203-N207 WeakPolarHBondContact O-CB 3.49Å; N203-N207 PolarHBondContact O-N 3.22Å; N203-N207 PolarHBondContact O-ND2 2.94Å; I204-N207 PolarHBondContact O-N 2.77Å; K205-N207 VanDerWaalsContact C-N 3.32Å; K205-N207 PolarHBondContact O-N 3.44Å; N207-I209 VanDerWaalsContact C-N 3.29Å; N207-I209 PolarHBondContact O-N 3.21Å; N207-R210 PolarHBondContact O-N 2.88Å; N207-R210 PolarHBondContact OD1-NH1 3.12Å; N207-S211 PolarHBondContact O-N 3.2Å; N207-S211 PolarHBondContact O-OG 3.27Å
208	L	36.8	Very low	37.7	Very low	108 Å²	108	117 Å²	117	57%	0.565	61%	0.611	S	S	*	*	H	α-helix	trans	-59	-42.4	173.5	-162.1	93.1	0	0	0	111.5	I204 K205 S211 L212	I204-L208 PolarHBondContact O-N 2.92Å; K205-L208 WeakPolarHBondContact O-CB 3.24Å; K205-L208 PolarHBondContact O-N 3.37Å; L208-S211 PolarHBondContact O-N 2.93Å; L208-L212 PolarHBondContact O-N 3.08Å
209	I	41.1	Very low	37.8	Very low	100 Å²	100	114.3 Å²	114.3	51%	0.513	60%	0.6	S	S	.	*	H	α-helix	trans	-63.2	-47.6	176.7	-66.9	165.3	0	0	0	110.6	K205 M206 N207 S211 L212	K205-I209 WeakPolarHBondContact O-CG1 3.4Å; K205-I209 PolarHBondContact O-N 2.9Å; K205-I209 VanDerWaalsContact O-N 3.08Å; M206-I209 HydrophobicContact SD-CD1 4.38Å; N207-I209 VanDerWaalsContact C-N 3.29Å; N207-I209 PolarHBondContact O-N 3.21Å; I209-S211 VanDerWaalsContact C-N 3.27Å; I209-S211 PolarHBondContact O-N 3.12Å; I209-L212 PolarHBondContact O-N 3.27Å; I209-L212 VanDerWaalsContact O-N 3.1Å; I209-L212 VanDerWaalsContact O-O 3.09Å
210	R	37.2	Very low	37.5	Very low	171 Å²	171	114.8 Å²	114.8	65%	0.645	59%	0.594	S	S	*	*	H	α-helix	trans	-65	-24.6	177.4	-68.6	-176.6	-162.1	107.8	-0.9	114.5	M206 N207 L212	M206-R210 WeakPolarHBondContact O-CG 3.45Å; M206-R210 PolarHBondContact O-N 3.17Å; M206-R210 VanDerWaalsContact O-N 3.11Å; N207-R210 PolarHBondContact O-N 2.88Å; N207-R210 PolarHBondContact OD1-NH1 3.12Å; R210-L212 VanDerWaalsContact C-N 3.31Å
211	S	36.1	Very low	37.2	Very low	92 Å²	92	116.2 Å²	116.2	64%	0.643	61%	0.609	S	S	*	*	H	α-helix	trans	-78.2	-15.2	174.9	-66.3	0	0	0	0	113.5	N207 L208 I209	N207-S211 PolarHBondContact O-N 3.2Å; N207-S211 PolarHBondContact O-OG 3.27Å; L208-S211 PolarHBondContact O-N 2.93Å; I209-S211 VanDerWaalsContact C-N 3.27Å; I209-S211 PolarHBondContact O-N 3.12Å
212	L	37.1	Very low	36.9	Very low	76 Å²	76	123 Å²	123	40%	0.398	63%	0.63	S	S	.	*	S	Bend	trans	-95.2	106.4	171.3	-64.1	175.5	0	0	0	108.3	L208 I209 R210 V214	L208-L212 PolarHBondContact O-N 3.08Å; I209-L212 PolarHBondContact O-N 3.27Å; I209-L212 VanDerWaalsContact O-N 3.1Å; I209-L212 VanDerWaalsContact O-O 3.09Å; R210-L212 VanDerWaalsContact C-N 3.31Å; L212-V214 HydrophobicContact CB-CG2 4.26Å; L212-V214 PolarHBondContact O-N 3.17Å
213	K	36.7	Very low	36.4	Very low	214 Å²	214	122.8 Å²	122.8	93%	0.93	63%	0.629	S	S	*	*			trans	-76.3	57.3	-175.1	-156	176.8	-175.2	-175.9	0	111.8
214	V	36.7	Very low	35.8	Very low	93 Å²	93	124.3 Å²	124.3	56%	0.564	64%	0.643	S	S	*	*			trans	-97.1	137.9	179.3	179.8	0	0	0	0	108.6	L212 E216 V219	L212-V214 HydrophobicContact CB-CG2 4.26Å; L212-V214 PolarHBondContact O-N 3.17Å; V214-E216 PolarHBondContact O-N 2.83Å; V214-V219 HydrophobicContact CG1-CG2 4.28Å
215	N	31.6	Very low	35.2	Very low	107 Å²	107	126.9 Å²	126.9	57%	0.572	66%	0.656	S	S	*	*			trans	-67.9	130.9	178.9	-56.3	-37.3	0	0	0	110.3	T217 D218	N215-T217 PolarHBondContact O-N 3.38Å; N215-D218 PolarHBondContact O-N 2.93Å
216	E	39.9	Very low	34.8	Very low	183 Å²	183	128.1 Å²	128.1	86%	0.855	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-1.3	179.4	-64.1	-171.2	131.7	0	0	113.7	V214	V214-E216 PolarHBondContact O-N 2.83Å
217	T	38.9	Very low	34.3	Very low	113 Å²	113	129.2 Å²	129.2	69%	0.693	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-23.4	177	51.3	0	0	0	0	114.4	N215	N215-T217 PolarHBondContact O-N 3.38Å
218	D	33.4	Very low	33.9	Very low	120 Å²	120	129.9 Å²	129.9	64%	0.642	68%	0.681	S	S	*	*	S	Bend	trans	-96.7	8.7	-168.3	-57.6	-35.2	0	0	0	113.3	N215	N215-D218 PolarHBondContact O-N 2.93Å
219	V	36	Very low	33.5	Very low	87 Å²	87	134.7 Å²	134.7	53%	0.527	70%	0.697	S	S	.	*	S	Bend	trans	-120.4	24.7	-169	-157.7	0	0	0	0	113.3	V214	V214-V219 HydrophobicContact CG1-CG2 4.28Å
220	F	30.6	Very low	33	Very low	176 Å²	176	136.6 Å²	136.6	77%	0.772	70%	0.704	S	S	*	*			trans	-147.5	97	167.3	-82.1	-68.5	0	0	0	113.3	K222	F220-K222 PolarHBondContact O-N 3.27Å
221	P	33.2	Very low	32.4	Very low	118 Å²	118	136.6 Å²	136.6	77%	0.766	71%	0.709	S	S	*	*			trans	-69.5	96.2	165.6	28.9	-32.8	0	0	0	110	S223	P221-S223 PolarHBondContact O-N 3.05Å
222	K	27.4	Very low	32.1	Very low	206 Å²	206	139.4 Å²	139.4	90%	0.896	71%	0.714	S	S	*	*			trans	-73	66.7	168.7	-78.2	-177.6	175.6	172.5	0	111.1	F220	F220-K222 PolarHBondContact O-N 3.27Å
223	S	32.1	Very low	31.7	Very low	85 Å²	85	143.8 Å²	143.8	59%	0.594	74%	0.738	S	S	*	*			trans	-95.2	95.2	171.3	53.4	0	0	0	0	110.6	P221 I225	P221-S223 PolarHBondContact O-N 3.05Å; S223-I225 PolarHBondContact O-N 2.85Å; S223-I225 VanDerWaalsContact O-N 3.11Å
224	T	26.7	Very low	31.5	Very low	147 Å²	147	139.3 Å²	139.3	90%	0.902	72%	0.72	S	S	*	*			trans	-60.6	109	162.5	39.8	0	0	0	0	109.6
225	I	32.6	Very low	31.3	Very low	158 Å²	158	143.1 Å²	143.1	81%	0.81	73%	0.729	S	S	*	*			trans	-115.3	131	162.9	-61.1	-178	0	0	0	107.5	S223	S223-I225 PolarHBondContact O-N 2.85Å; S223-I225 VanDerWaalsContact O-N 3.11Å
226	K	30	Very low	31.5	Very low	159 Å²	159	143.3 Å²	143.3	69%	0.691	74%	0.739	S	S	*	*			trans	-113.4	164.8	-178.1	-163.2	-178.7	157.2	-87.4	0	108
227	D	30.9	Very low	31.3	Very low	112 Å²	112	141.9 Å²	141.9	60%	0.599	74%	0.735	S	S	*	*			trans	74.2	100.1	164.1	-53.6	-50.5	0	0	0	117.2
228	S	27.5	Very low	31.2	Very low	102 Å²	102	140.9 Å²	140.9	71%	0.713	73%	0.733	S	S	*	*				63.7	120.1	125.4	-54	0	0	0	0	121.7
229	F	28.1	Very low	31.2	Very low	209 Å²	209	142.1 Å²	142.1	92%	0.917	74%	0.74	S	S	*	*				160.2	147.5	128.3	-85.7	-70.4	0	0	0	107.8
230	Q	29.7	Very low	31.3	Very low	141 Å²	141	143.9 Å²	143.9	66%	0.659	75%	0.746	S	S	*	*			cis	-176.5	112.6	-28.5	163.1	83.3	-6.6	0	0	106.4
231	F	24.8	Very low	31.5	Very low	170 Å²	170	142 Å²	142	75%	0.746	74%	0.744	S	S	*	*			trans	60.7	133.8	163.7	-74.6	-122.8	0	0	0	119.2
232	M	31	Very low	31.7	Very low	152 Å²	152	145.3 Å²	145.3	75%	0.749	75%	0.746	S	S	*	*				-179.2	109.6	105.5	-92.9	-58	-80.1	0	0	110.4
233	N	27.2	Very low	32	Very low	167 Å²	167	140.9 Å²	140.9	89%	0.893	74%	0.737	S	S	*	*			trans	-160.9	127.1	155.5	-149.4	-1.8	0	0	0	109.2
234	E	32.4	Very low	32.3	Very low	121 Å²	121	146.4 Å²	146.4	57%	0.565	75%	0.75	S	S	*	*			trans	-117.8	119	-169.1	-74.8	-153.8	95.9	0	0	115
235	K	33.9	Very low	32.5	Very low	173 Å²	173	146.6 Å²	146.6	75%	0.752	75%	0.745	S	S	*	*			trans	64.7	162.3	133.7	-65.3	171.1	-179.2	154.2	0	121.4
236	S	35.5	Very low	32.6	Very low	110 Å²	110	147.9 Å²	147.9	77%	0.769	74%	0.744	S	S	*	*			trans	82	135	169.1	76.8	0	0	0	0	116.8
237	I	35.7	Very low	32.8	Very low	153 Å²	153	147 Å²	147	79%	0.785	75%	0.747	S	S	*	*			cis	-156.5	157.3	-5.3	-120.5	164.5	0	0	0	110.8
238	S	36.3	Very low	32.9	Very low	93 Å²	93	147.4 Å²	147.4	65%	0.65	75%	0.754	S	S	*	*			trans	59.2	124.2	170.8	48.4	0	0	0	0	118.6
239	N	33.7	Very low	33.3	Very low	145 Å²	145	147.3 Å²	147.3	78%	0.775	75%	0.751	S	S	*	*				72.9	131.7	64.5	-63.5	16.4	0	0	0	112
240	D	38.2	Very low	33.2	Very low	124 Å²	124	144.8 Å²	144.8	66%	0.663	75%	0.747	S	S	*	*			cis	-160.5	154.8	34.9	-108.5	-40.6	0	0	0	114.4
241	N	35	Very low	33.4	Very low	136 Å²	136	147 Å²	147	73%	0.727	76%	0.757	S	S	*	*			trans	46.3	140.7	145.2	-55.8	-50.8	0	0	0	121.5
242	K	37.4	Very low	33.5	Very low	188 Å²	188	145.3 Å²	145.3	82%	0.817	76%	0.76	S	S	*	*			cis	-169.9	122.7	30.4	-159	159.2	-179.2	169.7	0	115.3
243	T	33.6	Very low	33.6	Very low	114 Å²	114	145 Å²	145	70%	0.699	77%	0.767	S	S	*	*			trans	19.8	131.8	152.3	63.9	0	0	0	0	124.8
244	K	37.1	Very low	33.7	Very low	201 Å²	201	143 Å²	143	87%	0.874	76%	0.761	S	S	*	*			trans	149.9	111.3	130	-85.1	173	-178.3	-177.6	0	109.9
245	L	31.6	Very low	33.8	Very low	150 Å²	150	142.4 Å²	142.4	79%	0.785	77%	0.77	S	S	*	*			cis	90	121.6	21.1	-133.9	-179.5	0	0	0	114.9
246	K	35.2	Very low	33.8	Very low	185 Å²	185	142.8 Å²	142.8	80%	0.804	77%	0.774	S	S	*	*			trans	76.1	151.5	-177.2	-51.3	-171.8	-178	-177.8	0	114
247	N	32.9	Very low	33.6	Very low	141 Å²	141	142.9 Å²	142.9	75%	0.754	77%	0.77	S	S	*	*			cis	-167.6	168.8	-7.5	-113.1	36.1	0	0	0	106.8
248	V	34.6	Very low	33.6	Very low	121 Å²	121	140.5 Å²	140.5	73%	0.733	77%	0.768	S	S	*	*			cis	-160.6	164.5	-12.8	107.6	0	0	0	0	107.6
249	P	34.9	Very low	33.7	Very low	100 Å²	100	142.3 Å²	142.3	65%	0.649	78%	0.775	S	S	*	*			trans	-103.8	167	-168.7	39.7	-35.4	0	0	0	117.8
250	N	27.4	Very low	33.7	Very low	155 Å²	155	140.5 Å²	140.5	83%	0.829	77%	0.773	S	S	*	*			trans	70.4	116.1	158.9	-64.7	-5.5	0	0	0	121.8
251	E	32.5	Very low	33.7	Very low	187 Å²	187	139.3 Å²	139.3	87%	0.874	78%	0.775	S	S	*	*			trans	179.6	121.2	130.9	-98.4	171.4	-177.7	0	0	107
252	V	28.1	Very low	33.6	Very low	135 Å²	135	137.6 Å²	137.6	82%	0.818	77%	0.769	S	S	*	*				63.2	107.8	71.5	-177.9	0	0	0	0	114.5
253	V	33.1	Very low	33.4	Very low	145 Å²	145	139.3 Å²	139.3	88%	0.879	77%	0.772	S	S	*	*			trans	-173.4	157	137.5	138.6	0	0	0	0	110
254	T	28.3	Very low	33.3	Very low	127 Å²	127	138 Å²	138	78%	0.779	77%	0.768	S	S	*	*			trans	-123.7	148.3	-165.9	54.5	0	0	0	0	115.3
255	S	34.3	Very low	32.9	Very low	108 Å²	108	137.6 Å²	137.6	76%	0.755	77%	0.766	S	S	*	*			trans	-147	117.9	154.5	38.5	0	0	0	0	108.5
256	Q	33.9	Very low	33	Very low	180 Å²	180	136.7 Å²	136.7	84%	0.841	77%	0.767	S	S	*	*				67.1	135.2	87.2	-67	-177.8	25.1	0	0	112.8
257	T	32.6	Very low	32.7	Very low	112 Å²	112	137.1 Å²	137.1	69%	0.687	77%	0.769	S	S	*	*			cis	-150.5	153.6	27.9	49.1	0	0	0	0	114.8
258	S	35.7	Very low	32.5	Very low	104 Å²	104	135.5 Å²	135.5	73%	0.727	77%	0.768	S	S	*	*			trans	55.1	143.7	139.4	68.5	0	0	0	0	122.2
259	T	37.7	Very low	32.3	Very low	130 Å²	130	136.8 Å²	136.8	80%	0.798	77%	0.77	S	S	*	*			cis	-147.3	150.5	8.6	40.3	0	0	0	0	113.1
260	S	33.2	Very low	31.9	Very low	107 Å²	107	138.5 Å²	138.5	75%	0.748	78%	0.779	S	S	*	*				32.3	145.6	127.4	-124.9	0	0	0	0	121.6
261	S	38	Very low	32.1	Very low	100 Å²	100	134.9 Å²	134.9	70%	0.699	78%	0.779	S	S	*	*			cis	-158.1	130.9	32.1	171.6	0	0	0	0	116.2
262	V	33.4	Very low	31.9	Very low	100 Å²	100	137.2 Å²	137.2	61%	0.606	78%	0.779	S	S	*	*				35.5	123.1	128.8	-157.6	0	0	0	0	118.1
263	Y	32.8	Very low	32	Very low	224 Å²	224	138.2 Å²	138.2	88%	0.878	78%	0.78	S	S	*	*				-141.1	163.6	64.4	-113	-84.1	0	0	0	116.1
264	S	32	Very low	31.7	Very low	87 Å²	87	136.1 Å²	136.1	61%	0.608	78%	0.778	S	S	*	*			trans	-161.7	-176.8	-167.1	58.3	0	0	0	0	113.9
265	F	28.1	Very low	31.9	Very low	191 Å²	191	137.6 Å²	137.6	84%	0.838	78%	0.78	S	S	*	*			trans	72.1	155.2	176.3	-84.3	-104.9	0	0	0	116.4
266	V	33.9	Very low	31.5	Very low	131 Å²	131	137.9 Å²	137.9	79%	0.794	78%	0.781	S	S	*	*			cis	-127.6	152.8	10.3	-174.7	0	0	0	0	111.6
267	K	29.8	Very low	31.4	Very low	194 Å²	194	135.7 Å²	135.7	84%	0.843	78%	0.781	S	S	*	*			trans	-121.1	126.6	170.1	166.2	-167.4	176.2	-176.6	0	109.7
268	S	27.6	Very low	31.2	Very low	107 Å²	107	135 Å²	135	75%	0.748	78%	0.78	S	S	*	*			trans	-174.4	162.1	159.7	-98.1	0	0	0	0	117.8
269	L	30.7	Very low	30.9	Very low	149 Å²	149	136.2 Å²	136.2	78%	0.78	78%	0.779	S	S	*	*			trans	62.7	92.3	159.4	-90.6	71.9	0	0	0	120.8
270	T	27.8	Very low	30.5	Very low	136 Å²	136	140 Å²	140	83%	0.834	78%	0.778	S	S	*	*				23.6	117.5	118.7	58.1	0	0	0	0	119.5
271	G	30.9	Very low	30.2	Very low	79 Å²	79	141.2 Å²	141.2	81%	0.814	78%	0.777	S	S	*	*			trans	-147.2	127.4	160.7	0	0	0	0	0	111
272	R	27.3	Very low	29.9	Very low	235 Å²	235	144.6 Å²	144.6	89%	0.887	79%	0.785	S	S	*	*			trans	-77.2	147	172.4	-68.5	174.9	170.6	117.6	-6.6	109.5
273	N	31.9	Very low	29.5	Very low	156 Å²	156	144.8 Å²	144.8	83%	0.834	79%	0.791	S	S	*	*				-173.9	138.3	112.1	-88.2	-17.9	0	0	0	111
274	A	26.8	Very low	29.5	Very low	102 Å²	102	143.3 Å²	143.3	84%	0.843	79%	0.789	S	S	*	*			trans	-115.9	130.2	168.7	0	0	0	0	0	108
275	I	32.3	Very low	29.3	Very low	158 Å²	158	143.6 Å²	143.6	81%	0.81	79%	0.791	S	S	*	*			trans	-133.4	114.9	168.8	-59.8	-178.1	0	0	0	107.9
276	S	24.9	Very low	29.4	Very low	113 Å²	113	141.7 Å²	141.7	79%	0.79	79%	0.789	S	S	*	*			trans	-108.1	125.3	169.5	54.1	0	0	0	0	109.1
277	T	32.5	Very low	29	Very low	135 Å²	135	141 Å²	141	83%	0.828	78%	0.78	S	S	*	*			trans	-149.1	141.2	163.6	34	0	0	0	0	111.3
278	S	28	Very low	29	Very low	97 Å²	97	140.9 Å²	140.9	68%	0.678	78%	0.78	S	S	*	*			trans	-82	170.6	171.9	56.4	0	0	0	0	112.4
279	N	30.4	Very low	29	Very low	129 Å²	129	141 Å²	141	69%	0.69	78%	0.781	S	S	*	*			trans	158.2	116.1	134	-77.5	-16.2	0	0	0	108.6
280	R	28.3	Very low	29.1	Very low	209 Å²	209	140.1 Å²	140.1	79%	0.789	78%	0.784	S	S	*	*				84.1	119.9	76.3	-87	-167.3	170.5	155.1	-1.3	114
281	D	26.4	Very low	29.2	Very low	134 Å²	134	137 Å²	137	72%	0.717	78%	0.779	S	S	*	*			trans	51.6	105.9	133.8	-41	-32.5	0	0	0	119.5
282	I	32.5	Very low	29.2	Very low	170 Å²	170	139.4 Å²	139.4	87%	0.872	78%	0.778	S	S	*	*			trans	-128	106.6	146.5	-59.4	-177.6	0	0	0	108.6
283	S	25.8	Very low	29.2	Very low	105 Å²	105	136 Å²	136	73%	0.734	77%	0.772	S	S	*	*			trans	-101.8	148.9	174	53.5	0	0	0	0	111.5
284	K	32.6	Very low	29.1	Very low	193 Å²	193	135.2 Å²	135.2	84%	0.839	77%	0.768	S	S	*	*			trans	-170.8	110.4	160.9	-99.9	147.3	-174.9	179.2	0	107
285	S	27.6	Very low	29.4	Very low	92 Å²	92	135.9 Å²	135.9	64%	0.643	76%	0.761	S	S	*	*			cis	106.5	143.7	29.9	67.8	0	0	0	0	111.4
286	L	28.7	Very low	29.2	Very low	152 Å²	152	134.9 Å²	134.9	80%	0.796	76%	0.757	S	S	*	*			trans	92.1	139	177.5	-53.5	168.8	0	0	0	115.6
287	N	26.5	Very low	29.5	Very low	115 Å²	115	136.1 Å²	136.1	62%	0.615	76%	0.755	S	S	*	*				-175.4	161.7	-64	-89.1	4.1	0	0	0	109.6
288	F	28.9	Very low	29.6	Very low	192 Å²	192	138 Å²	138	84%	0.842	76%	0.76	S	S	*	*			trans	70.7	148.5	163.5	-53.4	-60	0	0	0	117.6
289	S	29.2	Very low	29.9	Very low	109 Å²	109	140.5 Å²	140.5	76%	0.762	76%	0.761	S	S	*	*			cis	-163.4	154.4	-20.1	-168.1	0	0	0	0	110
290	P	31.7	Very low	30.2	Very low	131 Å²	131	141.8 Å²	141.8	85%	0.851	76%	0.761	S	S	*	*			trans	-114.5	171.4	-169.4	41.7	-34.5	0	0	0	117.7
291	G	30	Very low	30.4	Very low	70 Å²	70	140.4 Å²	140.4	72%	0.722	76%	0.761	S	S	*	*			trans	154.8	152.6	171.7	0	0	0	0	0	110.6
292	T	30.3	Very low	30.7	Very low	130 Å²	130	139.7 Å²	139.7	80%	0.798	76%	0.755	S	S	*	*			cis	-159.5	115.9	3.1	-57.8	0	0	0	0	107.1
293	Q	28.9	Very low	30.6	Very low	164 Å²	164	137.4 Å²	137.4	77%	0.766	75%	0.745	S	S	*	*				65.4	147	100.9	-141.4	-168.2	99.7	0	0	118.3
294	L	29	Very low	30.8	Very low	140 Å²	140	138.9 Å²	138.9	73%	0.733	75%	0.745	S	S	*	*			trans	79.8	145.1	173.3	-48.6	169.5	0	0	0	115.9
295	T	33.4	Very low	30.7	Very low	115 Å²	115	135.5 Å²	135.5	71%	0.706	74%	0.74	S	S	*	*			cis	-159.1	142.1	-12.6	13.1	0	0	0	0	111.9
296	N	28.3	Very low	30.9	Very low	137 Å²	137	139 Å²	139	73%	0.733	75%	0.746	S	S	*	*			trans	21.7	165.8	141.2	-65.3	6.2	0	0	0	125.5
297	D	31.3	Very low	31	Very low	140 Å²	140	136.5 Å²	136.5	75%	0.749	74%	0.74	S	S	*	*			trans	75.7	135.5	170.4	-49.4	-34.6	0	0	0	113.9
298	D	34	Very low	31.2	Very low	175 Å²	175	140 Å²	140	94%	0.936	75%	0.75	S	S	*	*			cis	-112.1	-179	35.4	-96.1	-51.4	0	0	0	117.9
299	Q	34.3	Very low	31.1	Very low	149 Å²	149	134.7 Å²	134.7	70%	0.696	74%	0.737	S	S	*	*			trans	-147.9	161.6	-158.6	-157.3	-176.4	61.2	0	0	115.4
300	K	36.5	Very low	31.3	Very low	155 Å²	155	136.9 Å²	136.9	67%	0.674	73%	0.734	S	S	*	*			trans	82.1	150.1	175.7	-55.1	153.8	-171.9	162.8	0	113.3
301	F	32.6	Very low	31.2	Very low	181 Å²	181	139.6 Å²	139.6	79%	0.794	73%	0.728	S	S	*	*			cis	-122.7	137.1	21.9	-80.9	-106.5	0	0	0	111.3
302	I	32.2	Very low	31.3	Very low	118 Å²	118	142.4 Å²	142.4	61%	0.605	72%	0.722	S	S	*	*				66.5	124.2	77	-69.3	170.9	0	0	0	112.1
303	N	31.7	Very low	31.2	Very low	123 Å²	123	142.6 Å²	142.6	66%	0.658	72%	0.718	S	S	*	*			cis	-163.4	154.5	-3.7	-111.8	-2.8	0	0	0	111.2
304	N	27.9	Very low	31.4	Very low	136 Å²	136	143 Å²	143	73%	0.727	72%	0.72	S	S	*	*			trans	45.7	144.9	146.5	-54.2	-20.7	0	0	0	120.4
305	V	32.3	Very low	31.6	Very low	122 Å²	122	141.6 Å²	141.6	74%	0.739	71%	0.714	S	S	*	*			cis	-150.2	137.4	44.9	169.7	0	0	0	0	111.9
306	Q	31.9	Very low	31.6	Very low	166 Å²	166	144.8 Å²	144.8	78%	0.776	72%	0.718	S	S	*	*			trans	1.8	141.3	146.4	-69.3	162.8	-97.7	0	0	118.4
307	C	29.2	Very low	31.6	Very low	99 Å²	99	145 Å²	145	67%	0.669	72%	0.719	S	S	*	*			cis	-172.5	165.6	46.1	-121.9	0	0	0	0	108.8
308	K	31.5	Very low	31.7	Very low	189 Å²	189	143 Å²	143	82%	0.822	72%	0.716	S	S	*	*			cis	-158.1	-170.5	-4.4	-145.4	174	-169	178.3	0	110.4
309	S	27.6	Very low	31.6	Very low	80 Å²	80	142 Å²	142	56%	0.559	71%	0.705	S	S	*	*			trans	-73.9	146.2	179.4	51.9	0	0	0	0	117.5
310	H	31.9	Very low	31.4	Very low	154 Å²	154	142.3 Å²	142.3	71%	0.713	71%	0.707	S	S	*	*				-164.1	124.2	100.5	-107	-102.5	0	0	0	107.6
311	R	29.8	Very low	30.9	Very low	188 Å²	188	140.3 Å²	140.3	71%	0.709	71%	0.713	S	S	*	*				64.4	131.9	90.9	-62.4	-138.2	-160.4	179.3	-0	113.4
312	E	31.6	Very low	30.8	Very low	130 Å²	130	139.4 Å²	139.4	61%	0.607	72%	0.715	S	S	*	*			cis	-155.4	160.7	14	-113.7	151.4	-158.2	0	0	110.6
313	N	29.6	Very low	30.6	Very low	134 Å²	134	145.3 Å²	145.3	72%	0.717	73%	0.73	S	S	*	*			trans	40.3	123.2	144.7	-55.6	-9.9	0	0	0	118.9
314	Q	33.7	Very low	30.6	Very low	172 Å²	172	147.3 Å²	147.3	80%	0.804	74%	0.739	S	S	*	*				170.1	164.8	56.1	-112	165.8	-13.7	0	0	106.8
315	D	32.1	Very low	30.8	Very low	111 Å²	111	145 Å²	145	59%	0.594	74%	0.738	S	S	*	*			cis	-166	158.6	-18.4	-138.3	-18.6	0	0	0	108.6
316	F	33.1	Very low	30.8	Very low	181 Å²	181	146.1 Å²	146.1	79%	0.794	74%	0.739	S	S	*	*			trans	53.6	121.7	174.5	-53.7	-75.2	0	0	0	119.1
317	N	28.8	Very low	31	Very low	143 Å²	143	144.1 Å²	144.1	77%	0.765	74%	0.74	S	S	*	*			cis	98.2	155.2	24.7	-157.8	18.1	0	0	0	115.3
318	S	32.7	Very low	30.9	Very low	97 Å²	97	146.1 Å²	146.1	68%	0.678	74%	0.744	S	S	*	*			trans	74.4	124.5	-165.6	70.1	0	0	0	0	115.2
319	Q	31.6	Very low	31.1	Very low	153 Å²	153	142.9 Å²	142.9	72%	0.715	75%	0.745	S	S	*	*				76.7	139.4	53.6	-74.2	174.4	-74.9	0	0	112.9
320	E	31.2	Very low	31.2	Very low	156 Å²	156	146.4 Å²	146.4	73%	0.729	76%	0.758	S	S	*	*			cis	-151.9	178.5	5.9	-146.2	148.7	-143.5	0	0	113.2
321	S	26.8	Very low	31.2	Very low	113 Å²	113	145.9 Å²	145.9	79%	0.79	77%	0.765	S	S	*	*			trans	-123.1	142.7	170.3	-58.4	0	0	0	0	110.2
322	L	29.5	Very low	31.1	Very low	162 Å²	162	146 Å²	146	85%	0.848	77%	0.771	S	S	*	*			trans	-126.3	133.8	179.7	-108.4	166.1	0	0	0	112.9
323	R	28.6	Very low	31	Very low	242 Å²	242	145.3 Å²	145.3	91%	0.913	78%	0.779	S	S	*	*			trans	-117.4	143.9	176.1	-53.7	173.8	-179	176.1	-0.6	109.4
324	I	31	Very low	30.8	Very low	166 Å²	166	146.4 Å²	146.4	85%	0.851	78%	0.783	S	S	*	*			trans	-151.3	144.5	161.6	-52.1	179.9	0	0	0	106.9
325	A	32.5	Very low	30.6	Very low	86 Å²	86	147 Å²	147	71%	0.711	79%	0.786	S	S	*	*			cis	-163.5	161.3	-37.3	0	0	0	0	0	107.2
326	I	32.6	Very low	30.3	Very low	147 Å²	147	148.6 Å²	148.6	75%	0.754	80%	0.795	S	S	*	*			trans	-108.5	156.5	175.1	-58	169.5	0	0	0	108.5
327	P	35.2	Very low	30.2	Very low	123 Å²	123	149.5 Å²	149.5	80%	0.799	80%	0.801	S	S	*	*			trans	-126.7	141.9	137.3	36.1	-29.1	0	0	0	112.8
328	D	28	Very low	30.1	Very low	142 Å²	142	153.6 Å²	153.6	76%	0.759	81%	0.806	S	S	*	*			trans	-80.1	159	-169.9	-51.5	-88.1	0	0	0	114.7
329	S	34.7	Very low	29.8	Very low	120 Å²	120	155.2 Å²	155.2	84%	0.839	81%	0.811	S	S	*	*			trans	-145.8	140.9	144.1	54.5	0	0	0	0	110.3
330	N	29.6	Very low	29.8	Very low	154 Å²	154	153.8 Å²	153.8	82%	0.824	82%	0.818	S	S	*	*			trans	-86.6	153.7	-171.8	-66.1	-83.9	0	0	0	112.1
331	V	32	Very low	29.6	Very low	143 Å²	143	156 Å²	156	87%	0.867	83%	0.825	S	S	*	*				178.7	154.8	118.9	147.9	0	0	0	0	111
332	K	28.3	Very low	29.6	Very low	190 Å²	190	156.8 Å²	156.8	83%	0.826	83%	0.829	S	S	*	*			trans	-96.2	-176.7	-179.2	-85.3	-178.8	174.7	178.2	0	112.6
333	C	29.3	Very low	29.4	Very low	116 Å²	116	153.7 Å²	153.7	78%	0.784	82%	0.821	S	S	*	*			trans	85.2	118.6	178.2	-53.3	0	0	0	0	112.4
334	I	26.1	Very low	29.4	Very low	158 Å²	158	150.5 Å²	150.5	81%	0.81	82%	0.817	S	S	*	*			cis	61.8	90.1	47.5	-47.6	170.9	0	0	0	111.2
335	E	29.7	Very low	29.3	Very low	183 Å²	183	148.8 Å²	148.8	86%	0.855	81%	0.809	S	S	*	*				-162.3	171.3	118.1	-116.7	178	168.6	0	0	112.6
336	N	24.7	Very low	29.3	Very low	145 Å²	145	153.4 Å²	153.4	78%	0.775	81%	0.813	S	S	*	*			trans	-88.4	142.2	-174.3	-53.9	-80.3	0	0	0	111.2
337	H	32	Very low	29.2	Very low	200 Å²	200	154.4 Å²	154.4	93%	0.926	82%	0.815	S	S	*	*			trans	-149.6	148.1	148.5	-114.9	-81.2	0	0	0	113.4
338	R	25.5	Very low	28.9	Very low	229 Å²	229	154.1 Å²	154.1	86%	0.864	81%	0.806	S	S	*	*			trans	-97.8	146.7	-175.6	-83.3	179.3	172.6	167.9	-2.4	112.3
339	V	26.2	Very low	29.1	Very low	132 Å²	132	154.4 Å²	154.4	80%	0.8	81%	0.813	S	S	*	*			trans	56.2	117.8	145.9	176.9	0	0	0	0	118
340	S	32.3	Very low	28.9	Very low	123 Å²	123	157 Å²	157	86%	0.86	81%	0.809	S	S	*	*				-160.2	163.8	128.3	-86.9	0	0	0	0	111
341	K	26.8	Very low	28.9	Very low	202 Å²	202	161.1 Å²	161.1	88%	0.878	81%	0.813	S	S	*	*			trans	-134.8	119.4	-169.7	-173.6	-175.1	-174.4	-176.4	0	109.5
342	C	26.8	Very low	28.7	Very low	129 Å²	129	158.8 Å²	158.8	87%	0.872	80%	0.803	S	S	*	*			trans	-128.1	164.4	174.5	-76.3	0	0	0	0	110.9
343	S	26	Very low	29	Very low	97 Å²	97	158.1 Å²	158.1	68%	0.678	80%	0.803	S	S	*	*			trans	-122.8	173.6	-169.5	-54.1	0	0	0	0	111.2
344	E	28.3	Very low	29	Very low	176 Å²	176	159.1 Å²	159.1	82%	0.822	80%	0.8	S	S	*	*			trans	72.3	155	166	-55.1	155.3	-144.4	0	0	113.5
345	L	29.6	Very low	29.4	Very low	129 Å²	129	162.1 Å²	162.1	68%	0.675	81%	0.808	S	S	*	*			cis	-150.1	175.1	27.9	-73.6	160.3	0	0	0	112.5
346	F	31.2	Very low	29.4	Very low	183 Å²	183	159.9 Å²	159.9	80%	0.803	80%	0.802	S	S	*	*			trans	69.1	159.6	160.9	-58.2	-67.5	0	0	0	119.7
347	E	30.2	Very low	29.7	Very low	169 Å²	169	161.9 Å²	161.9	79%	0.79	81%	0.806	S	S	*	*			cis	179.9	161	-49.7	-102.6	-83.5	126.5	0	0	108.9
348	D	29.1	Very low	29.5	Very low	117 Å²	117	158.2 Å²	158.2	63%	0.626	80%	0.8	S	S	*	*			trans	-44.5	153.9	-171.3	-95	21.8	0	0	0	120.8
349	V	33.6	Very low	29.7	Very low	148 Å²	148	154.8 Å²	154.8	90%	0.897	80%	0.797	S	S	*	*				-158.5	158.4	129.3	135	0	0	0	0	110.4
350	K	29.8	Very low	29.8	Very low	175 Å²	175	158.4 Å²	158.4	76%	0.761	80%	0.802	S	S	*	*			trans	-142	166.6	-164.9	-114.3	170.1	-171.9	146.8	0	114
351	R	29	Very low	29.7	Very low	240 Å²	240	159.8 Å²	159.8	91%	0.906	80%	0.798	S	S	*	*			trans	73.7	153.2	175.1	-74.7	-170.1	173.8	114.2	-3.5	115.6
352	S	27.8	Very low	30	Very low	93 Å²	93	159.3 Å²	159.3	65%	0.65	80%	0.796	S	S	*	*			cis	-154.2	170.1	-12.8	36.6	0	0	0	0	107.9
353	E	35.3	Very low	30	Very low	177 Å²	177	165.4 Å²	165.4	83%	0.827	80%	0.801	S	S	*	*				-165.6	175.2	63.8	-76.7	-180	166.7	0	0	112.2
354	N	28.3	Very low	30.1	Very low	136 Å²	136	166.2 Å²	166.2	73%	0.727	81%	0.807	S	S	*	*			trans	-109.7	153.8	-172.8	-59.6	-16.8	0	0	0	112.8
355	F	35.3	Very low	30.1	Very low	221 Å²	221	168.9 Å²	168.9	97%	0.969	81%	0.809	S	S	*	*			trans	-145.4	126.9	140.5	-99.1	-77.1	0	0	0	110.2
356	D	29.7	Very low	30	Very low	136 Å²	136	168.7 Å²	168.7	73%	0.727	82%	0.819	S	S	*	*			trans	-89.5	145.9	-176	-68.4	-81.7	0	0	0	113.1
357	H	31.5	Very low	29.9	Very low	188 Å²	188	167.6 Å²	167.6	87%	0.87	82%	0.82	S	S	*	*			trans	-152.7	143.4	140.6	-105.4	36.9	0	0	0	110.7
358	P	27.9	Very low	29.8	Very low	122 Å²	122	165.1 Å²	165.1	79%	0.792	82%	0.819	S	S	*	*			trans	-102.5	123.4	-159.8	36.1	-32.9	0	0	0	115.6
359	I	29.3	Very low	29.6	Very low	157 Å²	157	163.8 Å²	163.8	81%	0.805	82%	0.819	S	S	*	*			trans	-117.2	130.6	169.1	-61	-179.4	0	0	0	110.5	I361	I359-I361 PolarHBondContact O-N 3.42Å
360	K	28.9	Very low	29.4	Very low	208 Å²	208	162.9 Å²	162.9	90%	0.904	82%	0.816	S	S	*	*			trans	-81.5	75.6	-169.7	-66.9	178.2	-179.5	172.7	0	113.4	K362	K360-K362 PolarHBondContact O-N 3.47Å
361	I	30.7	Very low	29.4	Very low	152 Å²	152	165.8 Å²	165.8	78%	0.779	82%	0.822	S	S	*	*			trans	-72.9	122.3	172.4	-58.7	176.6	0	0	0	110.2	I359	I359-I361 PolarHBondContact O-N 3.42Å
362	K	33	Very low	29.4	Very low	193 Å²	193	157.2 Å²	157.2	84%	0.839	81%	0.808	S	S	*	*			trans	-70	128.7	172.6	-77.7	-178	178.7	175.1	0	110	K360 S364	K360-K362 PolarHBondContact O-N 3.47Å; K362-S364 PolarHBondContact O-N 3.08Å
363	R	25.3	Very low	29.5	Very low	256 Å²	256	161 Å²	161	97%	0.966	82%	0.82	S	S	*	*			trans	-65.6	114.6	-179	-77.6	178.3	156.9	116.5	-6	112.8
364	S	28.9	Very low	29.2	Very low	115 Å²	115	155.1 Å²	155.1	80%	0.804	81%	0.808	S	S	*	*			trans	-113	83.7	165.6	38.3	0	0	0	0	111.2	K362	K362-S364 PolarHBondContact O-N 3.08Å
365	R	27.9	Very low	29.4	Very low	231 Å²	231	152.7 Å²	152.7	87%	0.872	80%	0.802	S	S	*	*			trans	32.3	110	160.2	-61.5	-178.8	-178.8	178.5	0.3	117.9	L367	R365-L367 PolarHBondContact O-N 3.25Å
366	S	27	Very low	29.2	Very low	125 Å²	125	151.2 Å²	151.2	87%	0.874	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-48.6	121	167.4	51.1	0	0	0	0	113.2
367	L	29.3	Very low	29.3	Very low	161 Å²	161	152.8 Å²	152.8	84%	0.843	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-73.4	149.7	172.5	-69.2	170.7	0	0	0	111.4	R365	R365-L367 PolarHBondContact O-N 3.25Å
368	P	27.8	Very low	29.2	Very low	117 Å²	117	153.1 Å²	153.1	76%	0.76	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-70.4	144.6	178.5	29.6	-34.9	0	0	0	112.1
369	S	25.5	Very low	29.3	Very low	88 Å²	88	154.2 Å²	154.2	62%	0.615	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-64.2	135.7	176.1	-177	0	0	0	0	111.4	R371	S369-R371 PolarHBondContact O-N 3.35Å
370	P	29.5	Very low	29.3	Very low	130 Å²	130	153.2 Å²	153.2	84%	0.844	80%	0.799	S	S	*	*			trans	-76.8	54.6	-174.8	32.1	-37.1	0	0	0	114	G372	P370-G372 PolarHBondContact O-N 3.32Å
371	R	28.8	Very low	29.2	Very low	235 Å²	235	151.2 Å²	151.2	89%	0.887	79%	0.793	S	S	*	*			trans	-86.3	78.1	169.5	-65.9	-173.8	-179.2	-167.1	-0.5	110.3	S369	S369-R371 PolarHBondContact O-N 3.35Å
372	G	29.3	Very low	29.1	Very low	60 Å²	60	152.2 Å²	152.2	62%	0.619	80%	0.796	S	S	*	*			trans	-168	0.7	-175.6	0	0	0	0	0	120.5	P370	P370-G372 PolarHBondContact O-N 3.32Å
373	L	30.9	Very low	29	Very low	172 Å²	172	150.3 Å²	150.3	90%	0.901	80%	0.795	S	S	*	*			trans	-128	53.4	-174.8	-68.4	174.8	0	0	0	113.4
374	G	29.2	Very low	29	Very low	55 Å²	55	149.7 Å²	149.7	57%	0.567	80%	0.795	S	S	*	*	S	Bend	trans	-108.1	9.5	-178	0	0	0	0	0	116.5	R378	G374-R378 PolarHBondContact O-NH2 3.26Å
375	S	31.7	Very low	29	Very low	85 Å²	85	149 Å²	149	59%	0.594	79%	0.79	S	S	*	*	S	Bend	trans	-129.8	-7.6	-157.6	52.4	0	0	0	0	117.3
376	Q	31.8	Very low	29.1	Very low	189 Å²	189	144.4 Å²	144.4	88%	0.883	79%	0.787	S	S	*	*	S	Bend	trans	-107.4	9.8	-174.5	-70.1	-169.3	-10.3	0	0	115.6
377	Q	31.2	Very low	29.4	Very low	170 Å²	170	146.4 Å²	146.4	79%	0.794	79%	0.787	S	S	*	*	S	Bend	trans	-126.7	26.6	-174.2	-157	167	-8.9	0	0	113.7
378	R	29	Very low	29.3	Very low	194 Å²	194	147.9 Å²	147.9	73%	0.732	79%	0.789	S	S	*	*	S	Bend	trans	-135.2	11	-176.8	-76.7	-170.6	-74.4	173	-4.5	116.2	G374	G374-R378 PolarHBondContact O-NH2 3.26Å
379	N	30.9	Very low	29.4	Very low	145 Å²	145	145.5 Å²	145.5	78%	0.775	79%	0.787	S	S	*	*			trans	-113.6	37.3	-175.2	-66.9	25.2	0	0	0	113.2
380	C	28.6	Very low	29.7	Very low	136 Å²	136	149 Å²	149	92%	0.919	80%	0.798	S	S	*	*	S	Bend	trans	-129.1	19.9	176.4	-66.6	0	0	0	0	112.8
381	E	26.5	Very low	29.6	Very low	166 Å²	166	150 Å²	150	78%	0.776	80%	0.797	S	S	*	*			trans	-122.9	159.5	172.9	-65.6	175.5	161.3	0	0	107.9
382	M	30.2	Very low	29.7	Very low	173 Å²	173	149.9 Å²	149.9	85%	0.852	80%	0.796	S	S	*	*	S	Bend	trans	68.6	89.6	-167.8	-50.4	-58.7	176.9	0	0	115
383	N	29	Very low	29.7	Very low	153 Å²	153	155.9 Å²	155.9	82%	0.818	81%	0.805	S	S	*	*				164.3	82	127.3	-81.7	-13.9	0	0	0	110.3
384	Y	25.7	Very low	29.7	Very low	244 Å²	244	154.5 Å²	154.5	96%	0.957	80%	0.799	S	S	*	*			trans	-142.6	97.3	167.2	-124.1	-90.4	0	0	0	108.9
385	S	28.8	Very low	29.6	Very low	101 Å²	101	159.1 Å²	159.1	71%	0.706	81%	0.81	S	S	*	*			trans	-158.3	117.7	-179.6	54.8	0	0	0	0	110.6
386	V	30.3	Very low	29.5	Very low	134 Å²	134	162 Å²	162	81%	0.812	82%	0.824	S	S	*	*			trans	59.2	99.6	163	-170.4	0	0	0	0	116.4
387	L	33.2	Very low	29.3	Very low	166 Å²	166	158.2 Å²	158.2	87%	0.869	82%	0.819	S	S	*	*				-165.7	125.2	105.9	-116.3	128.4	0	0	0	110.8
388	E	27.5	Very low	29.3	Very low	192 Å²	192	158 Å²	158	90%	0.897	82%	0.823	S	S	*	*			trans	-78.5	148.6	167.5	-62.4	169.4	104.7	0	0	109.6
389	G	30.6	Very low	29.4	Very low	68 Å²	68	156.6 Å²	156.6	70%	0.701	83%	0.827	S	S	*	*			trans	178.1	71.5	-176.1	0	0	0	0	0	117.5
390	N	31.2	Very low	29.4	Very low	161 Å²	161	157 Å²	157	86%	0.861	83%	0.829	S	S	*	*			trans	57	110.1	150	-61.9	-36.4	0	0	0	120.3
391	N	27.7	Very low	29.5	Very low	152 Å²	152	158.5 Å²	158.5	81%	0.813	83%	0.828	S	S	*	*			trans	-32	136.7	152.4	-61.3	-61.2	0	0	0	115.4
392	R	31.5	Very low	29.6	Very low	232 Å²	232	154 Å²	154	88%	0.875	83%	0.826	S	S	*	*				-175.9	116.3	118.2	-96.1	153.7	-159.8	-158.9	6.3	113.9
393	F	27.9	Very low	29.6	Very low	185 Å²	185	152 Å²	152	81%	0.811	83%	0.829	S	S	*	*				48.4	137.6	129.8	-81.4	-85.7	0	0	0	123.5
394	L	31.7	Very low	29.7	Very low	144 Å²	144	148.7 Å²	148.7	75%	0.754	82%	0.818	S	S	*	*			trans	82.1	99.7	150.9	-66.1	165.2	0	0	0	120.2
395	N	25.9	Very low	29.9	Very low	151 Å²	151	143.6 Å²	143.6	81%	0.807	81%	0.812	S	S	*	*				8.1	115.9	128.9	-56.2	-11.4	0	0	0	117.7
396	T	30.2	Very low	30	Very low	146 Å²	146	146 Å²	146	90%	0.896	81%	0.81	S	S	*	*				-148.4	154.7	128.8	33.5	0	0	0	0	109.4
397	S	27.9	Very low	30.2	Very low	110 Å²	110	148 Å²	148	77%	0.769	81%	0.81	S	S	*	*			trans	-83.9	132.5	174.8	51.9	0	0	0	0	111.3
398	N	31.8	Very low	30.6	Very low	165 Å²	165	147 Å²	147	88%	0.882	80%	0.798	S	S	*	*			trans	-156.7	153.5	141.3	-110.6	-27	0	0	0	112.4
399	M	30.9	Very low	31.2	Very low	164 Å²	164	144.3 Å²	144.3	81%	0.808	79%	0.789	S	S	*	*			trans	-83.4	141.7	167.8	-63.2	-70	178.5	0	0	109.1
400	N	31.1	Very low	31.7	Very low	155 Å²	155	152.5 Å²	152.5	83%	0.829	80%	0.799	S	S	*	*				177.2	170.9	123.5	-86.7	-6.9	0	0	0	111.1
401	D	29.4	Very low	32.6	Very low	167 Å²	167	151.1 Å²	151.1	89%	0.893	78%	0.781	S	S	*	*			trans	-59.7	137.4	-160.7	-61.6	-77.6	0	0	0	116.7
402	G	29.9	Very low	33.6	Very low	71 Å²	71	146.8 Å²	146.8	73%	0.732	76%	0.758	S	S	*	*			trans	-147	106.7	168.7	0	0	0	0	0	109.6	S404	G402-S404 PolarHBondContact O-N 2.84Å
403	S	28.7	Very low	34.4	Very low	132 Å²	132	142.5 Å²	142.5	92%	0.923	74%	0.742	S	S	*	*			trans	-65.1	116.7	-170.7	41.1	0	0	0	0	113
404	S	31.2	Very low	35.3	Very low	83 Å²	83	142.3 Å²	142.3	58%	0.58	74%	0.736	S	S	*	*			trans	-147.8	124.4	172.7	-167	0	0	0	0	111.8	G402 F406	G402-S404 PolarHBondContact O-N 2.84Å; S404-F406 PolarHBondContact O-N 2.8Å; S404-F406 WeakPolarHBondContact OG-CD2 3.46Å; S404-F406 VanDerWaalsContact OG-CE2 3.27Å; S404-F406 WeakPolarHBondContact OG-CE2 3.37Å
405	V	31.7	Very low	36	Very low	136 Å²	136	139.3 Å²	139.3	82%	0.824	73%	0.726	S	S	*	*			trans	-81.4	65	-171.4	-171.1	0	0	0	0	111.2	H407	V405-H407 VanDerWaalsContact C-N 3.34Å; V405-H407 PolarHBondContact O-N 3.37Å
406	F	30.5	Very low	37.2	Very low	153 Å²	153	135.1 Å²	135.1	67%	0.671	70%	0.699	S	S	*	*			trans	-80.6	77.9	173.8	-82.4	-70.5	0	0	0	111.9	S404 K408	S404-F406 PolarHBondContact O-N 2.8Å; S404-F406 WeakPolarHBondContact OG-CD2 3.46Å; S404-F406 VanDerWaalsContact OG-CE2 3.27Å; S404-F406 WeakPolarHBondContact OG-CE2 3.37Å; F406-K408 HydrophobicContact CD1-CG 4.44Å; F406-K408 PolarHBondContact O-N 3.32Å
407	H	33	Very low	38.2	Very low	174 Å²	174	134 Å²	134	81%	0.806	68%	0.682	S	S	*	*			trans	-70.5	50.6	166.1	-111.6	-71.8	0	0	0	112.2	V405 I409	V405-H407 VanDerWaalsContact C-N 3.34Å; V405-H407 PolarHBondContact O-N 3.37Å; H407-I409 PolarHBondContact O-N 3.33Å
408	K	42.1	Very low	39.3	Very low	145 Å²	145	133.5 Å²	133.5	63%	0.63	67%	0.666	S	S	*	*			trans	-59.1	122	170.5	-77.3	179.5	177.7	171.8	0	108.4	F406 R410	F406-K408 HydrophobicContact CD1-CG 4.44Å; F406-K408 PolarHBondContact O-N 3.32Å; K408-R410 PolarHBondContact O-N 2.95Å
409	I	39.6	Very low	40.4	Very low	137 Å²	137	126.2 Å²	126.2	70%	0.703	63%	0.628	S	S	*	*			trans	-69.3	79.8	179.9	-51.7	173	0	0	0	109.2	H407 R411	H407-I409 PolarHBondContact O-N 3.33Å; I409-R411 HydrophobicContact CG2-CG 3.86Å; I409-R411 PolarHBondContact O-N 2.78Å
410	R	41.4	Very low	41.5	Very low	239 Å²	239	119.2 Å²	119.2	90%	0.902	60%	0.598	S	S	*	*			trans	-67.9	75.3	166	-78.1	-177.2	170.8	167.3	-2	108.7	K408 D412	K408-R410 PolarHBondContact O-N 2.95Å; R410-D412 PolarHBondContact O-N 2.89Å
411	R	50.3	Low	42.9	Very low	132 Å²	132	112.8 Å²	112.8	50%	0.498	56%	0.563	S	S	.	*			trans	-53.3	129.1	159.1	-57.2	-170.8	176.1	97.6	-3.2	106.5	I409 R413 Y416	I409-R411 HydrophobicContact CG2-CG 3.86Å; I409-R411 PolarHBondContact O-N 2.78Å; R411-R413 PolarHBondContact O-N 3Å; R411-R413 VanDerWaalsContact O-N 3.17Å; R411-Y416 HydrophobicContact CB-CE2 3.84Å; R411-Y416 WeakPolarHBondContact CD-OH 3.47Å
412	D	48.1	Very low	44.5	Very low	62 Å²	62	110.4 Å²	110.4	33%	0.332	54%	0.544	S	S	.	.			trans	-61.5	124.1	-166.5	-168.6	-29.4	0	0	0	110.6	R410 R414 C415	R410-D412 PolarHBondContact O-N 2.89Å; D412-R414 PolarHBondContact O-N 3.39Å; D412-R414 VanDerWaalsContact OD1-CB 3.28Å; D412-R414 WeakPolarHBondContact OD1-CB 3.43Å; D412-R414 WeakPolarHBondContact OD1-CG 3.26Å; D412-R414 PolarHBondContact OD1-N 2.88Å; D412-R414 IonicContact OD1-NE 3.13Å; D412-R414 PolarHBondContact OD1-NE 3.29Å; D412-R414 VanDerWaalsContact OD1-NE 3.13Å; D412-R414 IonicContact OD2-CZ 3.2Å; D412-R414 IonicContact OD2-NE 2.88Å; D412-R414 PolarHBondContact OD2-NE 3.15Å; D412-R414 IonicContact OD2-NH2 2.69Å; D412-R414 PolarHBondContact OD2-NH2 3.33Å; D412-C415 WeakPolarHBondContact O-CB 3.2Å; D412-C415 PolarHBondContact O-N 2.8Å
413	R	49.6	Very low	45.9	Very low	142 Å²	142	109.5 Å²	109.5	54%	0.536	52%	0.523	S	S	.	.	H	α-helix	trans	-57.9	-20.3	178.7	-68.7	-172.6	176.7	-171.7	1.8	112.3	R411 K417	R411-R413 PolarHBondContact O-N 3Å; R411-R413 VanDerWaalsContact O-N 3.17Å; R413-K417 PolarHBondContact O-N 3.09Å
414	R	46.7	Very low	47.7	Very low	181 Å²	181	103.6 Å²	103.6	68%	0.683	48%	0.481	S	S	*	.	H	α-helix	trans	-68.9	-33.6	173.7	-66.3	175.9	-76.1	-160.9	3.1	112.9	D412	D412-R414 PolarHBondContact O-N 3.39Å; D412-R414 VanDerWaalsContact OD1-CB 3.28Å; D412-R414 WeakPolarHBondContact OD1-CB 3.43Å; D412-R414 WeakPolarHBondContact OD1-CG 3.26Å; D412-R414 PolarHBondContact OD1-N 2.88Å; D412-R414 IonicContact OD1-NE 3.13Å; D412-R414 PolarHBondContact OD1-NE 3.29Å; D412-R414 VanDerWaalsContact OD1-NE 3.13Å; D412-R414 IonicContact OD2-CZ 3.2Å; D412-R414 IonicContact OD2-NE 2.88Å; D412-R414 PolarHBondContact OD2-NE 3.15Å; D412-R414 IonicContact OD2-NH2 2.69Å; D412-R414 PolarHBondContact OD2-NH2 3.33Å
415	C	46.6	Very low	49.5	Very low	80 Å²	80	103.9 Å²	103.9	54%	0.541	47%	0.469	S	S	.	.	H	α-helix	trans	-69.2	-37.3	179	-60.7	0	0	0	0	112.1	D412 S419	D412-C415 WeakPolarHBondContact O-CB 3.2Å; D412-C415 PolarHBondContact O-N 2.8Å; C415-S419 WeakPolarHBondContact O-CB 3.32Å; C415-S419 PolarHBondContact O-N 2.95Å; C415-S419 PolarHBondContact O-OG 3.36Å
416	Y	49.8	Very low	51.1	Low	64 Å²	64	103.2 Å²	103.2	25%	0.251	46%	0.455	S	S	.	.	H	α-helix	trans	-75.8	-43.7	-178.9	-74.2	-93.1	0	0	0	112.2	R411 K418 S419 F421 M523	R411-Y416 HydrophobicContact CB-CE2 3.84Å; R411-Y416 WeakPolarHBondContact CD-OH 3.47Å; Y416-K418 PolarHBondContact O-N 3.08Å; Y416-S419 PolarHBondContact O-N 2.98Å; Y416-S419 PolarHBondContact O-OG 3.44Å; Y416-F421 AromaticContact CD1-CD2 4Å; Y416-F421 HydrophobicContact CD1-CD2 4Å; Y416-F421 AromaticContact CD1-CE2 3.36Å; Y416-F421 HydrophobicContact CD1-CE2 3.36Å; Y416-F421 AromaticContact CD1-CZ 3.69Å; Y416-F421 HydrophobicContact CD1-CZ 3.69Å; Y416-F421 AromaticContact CE1-CE2 3.75Å; Y416-F421 HydrophobicContact CE1-CE2 3.75Å; Y416-F421 AromaticContact CE1-CZ 3.84Å; Y416-F421 HydrophobicContact CE1-CZ 3.84Å; Y416-F421 HydrophobicContact CG-CE2 4.43Å; Y416-M523 HydrophobicContact CD1-SD 3.65Å; Y416-M523 HydrophobicContact CE1-CE 4.49Å; Y416-M523 HydrophobicContact CE1-SD 3.45Å; Y416-M523 WeakPolarHBondContact CE1-SD 3.37Å; Y416-M523 HydrophobicContact CE2-SD 4.38Å; Y416-M523 HydrophobicContact CG-SD 4.22Å
417	K	51	Low	52.8	Low	122 Å²	122	96.4 Å²	96.4	53%	0.53	43%	0.426	S	S	.	.	H	α-helix	trans	-58.4	-21.4	174.9	-80.1	-172.2	170.6	-156.6	0	115.3	R413 F541	R413-K417 PolarHBondContact O-N 3.09Å; K417-F541 WeakPolarHBondContact CG-O 3.39Å
418	K	51.5	Low	54.4	Low	99 Å²	99	88.4 Å²	88.4	43%	0.43	39%	0.389	S	S	.	.	H	α-helix	trans	-101.5	-29.6	-177	-74.9	-176.7	161.4	-160.8	0	114.1	E107 Y416 K422	E107-K418 VanDerWaalsContact OE1-CD 3.31Å; E107-K418 WeakPolarHBondContact OE1-CD 3.47Å; E107-K418 VanDerWaalsContact OE1-CE 3.24Å; E107-K418 WeakPolarHBondContact OE1-CE 3.49Å; E107-K418 IonicContact OE1-NZ 2.64Å; E107-K418 PolarHBondContact OE1-NZ 2.93Å; Y416-K418 PolarHBondContact O-N 3.08Å; K418-K422 PolarHBondContact O-NZ 3.25Å
419	S	55.1	Low	55.6	Low	12 Å²	12	85.8 Å²	85.8	8%	0.084	38%	0.382	C	S	.	.	S	Bend	trans	-80.7	-170.3	-176.2	52.8	0	0	0	0	113.5	C415 Y416 F421 K422	C415-S419 WeakPolarHBondContact O-CB 3.32Å; C415-S419 PolarHBondContact O-N 2.95Å; C415-S419 PolarHBondContact O-OG 3.36Å; Y416-S419 PolarHBondContact O-N 2.98Å; Y416-S419 PolarHBondContact O-OG 3.44Å; S419-F421 PolarHBondContact O-N 2.91Å; S419-K422 PolarHBondContact O-N 3.15Å
420	G	53.8	Low	56.9	Low	18 Å²	18	83.5 Å²	83.5	19%	0.186	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-7.6	-165.2	0	0	0	0	0	117.4	K422 N423	G420-K422 PolarHBondContact O-N 3.47Å; G420-N423 PolarHBondContact O-N 3.03Å
421	F	61.2	Low	57.8	Low	19 Å²	19	72.2 Å²	72.2	8%	0.083	32%	0.322	C	S	.	.	H	α-helix	trans	-56.6	-20.2	174.8	-65.3	-86.5	0	0	0	113.8	Y416 S419 N423 L424 R425 L508 M512	Y416-F421 AromaticContact CD1-CD2 4Å; Y416-F421 HydrophobicContact CD1-CD2 4Å; Y416-F421 AromaticContact CD1-CE2 3.36Å; Y416-F421 HydrophobicContact CD1-CE2 3.36Å; Y416-F421 AromaticContact CD1-CZ 3.69Å; Y416-F421 HydrophobicContact CD1-CZ 3.69Å; Y416-F421 AromaticContact CE1-CE2 3.75Å; Y416-F421 HydrophobicContact CE1-CE2 3.75Å; Y416-F421 AromaticContact CE1-CZ 3.84Å; Y416-F421 HydrophobicContact CE1-CZ 3.84Å; Y416-F421 HydrophobicContact CG-CE2 4.43Å; S419-F421 PolarHBondContact O-N 2.91Å; F421-N423 VanDerWaalsContact C-N 3.26Å; F421-N423 PolarHBondContact O-N 3.33Å; F421-L424 HydrophobicContact CD1-CD2 3.84Å; F421-L424 HydrophobicContact CE1-CD2 4.16Å; F421-L424 PolarHBondContact O-N 3.47Å; F421-R425 VanDerWaalsContact O-CB 3.24Å; F421-R425 WeakPolarHBondContact O-CB 3.46Å; F421-R425 PolarHBondContact O-N 2.77Å; F421-L508 HydrophobicContact CE1-CB 4.26Å; F421-L508 HydrophobicContact CE1-CD2 4.21Å; F421-L508 HydrophobicContact CE2-CD2 4.09Å; F421-L508 HydrophobicContact CZ-CD2 3.64Å; F421-M512 HydrophobicContact CD1-CE 4.27Å; F421-M512 HydrophobicContact CD1-SD 4.44Å; F421-M512 HydrophobicContact CE1-CE 4.36Å; F421-M512 HydrophobicContact CE1-CG 4.47Å; F421-M512 HydrophobicContact CE1-SD 4.35Å
422	K	62.8	Low	58.5	Low	117 Å²	117	69 Å²	69	51%	0.509	32%	0.315	S	S	.	.	H	α-helix	trans	-56.5	-37.5	169	-68.5	172.1	-177.4	158.4	0	113.1	K418 S419 G420 K426	K418-K422 PolarHBondContact O-NZ 3.25Å; S419-K422 PolarHBondContact O-N 3.15Å; G420-K422 PolarHBondContact O-N 3.47Å; K422-K426 PolarHBondContact O-N 3.33Å
423	N	59.3	Low	59.1	Low	53 Å²	53	70.6 Å²	70.6	28%	0.283	33%	0.331	S	S	.	.	H	α-helix	trans	-80.5	-40.3	178.1	-69.4	-14.7	0	0	0	111.1	G420 F421 R425 K426 F427	G420-N423 PolarHBondContact O-N 3.03Å; F421-N423 VanDerWaalsContact C-N 3.26Å; F421-N423 PolarHBondContact O-N 3.33Å; N423-R425 VanDerWaalsContact C-N 3.27Å; N423-R425 PolarHBondContact O-N 3.43Å; N423-K426 PolarHBondContact O-N 2.97Å; N423-F427 WeakPolarHBondContact O-CB 3.11Å; N423-F427 PolarHBondContact O-N 3.47Å
424	L	67.2	Low	59.3	Low	7 Å²	7	68.7 Å²	68.7	4%	0.037	33%	0.327	C	S	.	.	H	α-helix	trans	-56.2	-43.8	172.2	-167.2	70.7	0	0	0	111.1	F421 F427 V428 F500 L505 L508 H509 M512	F421-L424 HydrophobicContact CD1-CD2 3.84Å; F421-L424 HydrophobicContact CE1-CD2 4.16Å; F421-L424 PolarHBondContact O-N 3.47Å; L424-F427 PolarHBondContact O-N 3.34Å; L424-V428 HydrophobicContact CD1-CG2 4.47Å; L424-V428 HydrophobicContact CG-CG2 4.32Å; L424-V428 WeakPolarHBondContact O-CB 3.37Å; L424-V428 WeakPolarHBondContact O-CG2 3.49Å; L424-V428 PolarHBondContact O-N 2.97Å; L424-F500 HydrophobicContact CD1-CD1 4.39Å; L424-F500 HydrophobicContact CD1-CE1 3.72Å; L424-L505 HydrophobicContact CB-CD2 4.49Å; L424-L505 HydrophobicContact CD1-CB 4.01Å; L424-L505 HydrophobicContact CD1-CD2 4.08Å; L424-L505 WeakPolarHBondContact CD1-O 3.32Å; L424-L508 HydrophobicContact CD2-CB 4.18Å; L424-H509 HydrophobicContact CD1-CB 4.27Å; L424-H509 HydrophobicContact CD2-CB 4.37Å; L424-M512 HydrophobicContact CD2-SD 3.83Å
425	R	68.3	Low	59.4	Low	89 Å²	89	63.5 Å²	63.5	34%	0.336	31%	0.312	S	S	.	.	H	α-helix	trans	-58.2	-51.9	176.1	-171.2	-171.4	-65.3	-142.6	-4.5	111.7	F421 N423 F427 N429 M539 H540 F541	F421-R425 VanDerWaalsContact O-CB 3.24Å; F421-R425 WeakPolarHBondContact O-CB 3.46Å; F421-R425 PolarHBondContact O-N 2.77Å; N423-R425 VanDerWaalsContact C-N 3.27Å; N423-R425 PolarHBondContact O-N 3.43Å; R425-F427 VanDerWaalsContact C-N 3.28Å; R425-F427 PolarHBondContact O-N 3.25Å; R425-N429 WeakPolarHBondContact O-CB 3.22Å; R425-N429 PolarHBondContact O-N 2.91Å; R425-N429 VanDerWaalsContact O-N 3.08Å; R425-M539 HydrophobicContact CB-SD 4.27Å; R425-M539 VanDerWaalsContact CD-O 3.32Å; R425-M539 WeakPolarHBondContact CD-O 3.34Å; R425-M539 HydrophobicContact CG-CE 3.83Å; R425-M539 WeakPolarHBondContact CG-O 3.38Å; R425-M539 HydrophobicContact CG-SD 3.91Å; R425-M539 PolarHBondContact NE-O 3.32Å; R425-M539 PolarHBondContact NH1-O 3.18Å; R425-M539 PolarHBondContact NH2-O 2.84Å; R425-M539 WeakPolarHBondContact O-CE 3.28Å; R425-M539 VanDerWaalsContact O-SD 3.42Å; R425-H540 PolarHBondContact NH2-O 3.28Å; R425-F541 PolarHBondContact NH2-OXT 3.12Å
426	K	65.6	Low	59.2	Low	123 Å²	123	67.5 Å²	67.5	54%	0.535	33%	0.328	S	S	.	.	H	α-helix	trans	-58.2	-42	175.9	-71.5	178	177.4	-178.2	0	112	K422 N423 Y430	K422-K426 PolarHBondContact O-N 3.33Å; N423-K426 PolarHBondContact O-N 2.97Å; K426-Y430 WeakPolarHBondContact O-CB 3.47Å; K426-Y430 PolarHBondContact O-N 3.44Å
427	F	65.4	Low	59.2	Low	10 Å²	10	65.2 Å²	65.2	4%	0.044	32%	0.32	C	S	.	.	H	α-helix	trans	-71.5	-39.4	-176.2	-176.3	-95.2	0	0	0	113.8	N423 L424 R425 Y430 N431 F489 G499 F500 V501 L505	N423-F427 WeakPolarHBondContact O-CB 3.11Å; N423-F427 PolarHBondContact O-N 3.47Å; L424-F427 PolarHBondContact O-N 3.34Å; R425-F427 VanDerWaalsContact C-N 3.28Å; R425-F427 PolarHBondContact O-N 3.25Å; F427-Y430 WeakPolarHBondContact O-CB 3.43Å; F427-Y430 PolarHBondContact O-N 3.03Å; F427-N431 WeakPolarHBondContact CE1-ND2 3.38Å; F427-N431 WeakPolarHBondContact CZ-ND2 3.38Å; F427-N431 PolarHBondContact O-N 2.86Å; F427-N431 PolarHBondContact O-ND2 3.06Å; F427-F489 HydrophobicContact CE2-CE1 4.3Å; F427-F489 HydrophobicContact CZ-CD1 4.33Å; F427-F489 AromaticContact CZ-CE1 3.81Å; F427-F489 HydrophobicContact CZ-CE1 3.81Å; F427-G499 WeakPolarHBondContact CE1-O 3.31Å; F427-G499 WeakPolarHBondContact CZ-O 3.43Å; F427-F500 AromaticContact CD1-CD1 3.61Å; F427-F500 HydrophobicContact CD1-CD1 3.61Å; F427-F500 AromaticContact CD1-CE1 3.78Å; F427-F500 HydrophobicContact CD1-CE1 3.78Å; F427-F500 HydrophobicContact CE1-CB 4.15Å; F427-F500 AromaticContact CE1-CD1 3.29Å; F427-F500 HydrophobicContact CE1-CD1 3.29Å; F427-F500 AromaticContact CE1-CE1 3.8Å; F427-F500 HydrophobicContact CE1-CE1 3.8Å; F427-F500 AromaticContact CE1-CG 3.87Å; F427-F500 HydrophobicContact CE1-CG 3.87Å; F427-F500 HydrophobicContact CZ-CD1 4.37Å; F427-V501 HydrophobicContact CE2-CG2 4.22Å; F427-V501 HydrophobicContact CZ-CG2 4.34Å; F427-L505 HydrophobicContact CD1-CD1 4.42Å; F427-L505 HydrophobicContact CD2-CD1 4.45Å; F427-L505 HydrophobicContact CG-CD1 4.22Å
428	V	67.4	Low	58.5	Low	5 Å²	5	65 Å²	65	3%	0.03	32%	0.324	C	S	.	.	H	α-helix	trans	-71.3	-37.1	175.5	169.4	0	0	0	0	110.8	L424 Y430 N431 L432 I498 F500 I535 M539	L424-V428 HydrophobicContact CD1-CG2 4.47Å; L424-V428 HydrophobicContact CG-CG2 4.32Å; L424-V428 WeakPolarHBondContact O-CB 3.37Å; L424-V428 WeakPolarHBondContact O-CG2 3.49Å; L424-V428 PolarHBondContact O-N 2.97Å; V428-Y430 VanDerWaalsContact C-N 3.34Å; V428-Y430 PolarHBondContact O-N 2.76Å; V428-N431 PolarHBondContact O-N 2.91Å; V428-L432 WeakPolarHBondContact O-CB 3.48Å; V428-L432 PolarHBondContact O-N 3.48Å; V428-I498 HydrophobicContact CG1-CD1 3.89Å; V428-I498 HydrophobicContact CG2-CD1 4.33Å; V428-I498 HydrophobicContact CG2-CG2 4.48Å; V428-F500 HydrophobicContact CG2-CE1 4.18Å; V428-F500 HydrophobicContact CG2-CZ 4.3Å; V428-I535 HydrophobicContact CG1-CG2 3.71Å; V428-M539 HydrophobicContact CB-CE 4.45Å; V428-M539 HydrophobicContact CB-SD 3.52Å; V428-M539 VanDerWaalsContact CB-SD 3.52Å; V428-M539 HydrophobicContact CG1-CE 4.42Å; V428-M539 HydrophobicContact CG1-CG 3.97Å; V428-M539 HydrophobicContact CG1-SD 3.52Å; V428-M539 VanDerWaalsContact CG1-SD 3.52Å
429	N	67.1	Low	57.7	Low	91 Å²	91	68.6 Å²	68.6	49%	0.487	34%	0.34	S	S	.	.	H	α-helix	trans	-59	-44.8	168.5	-102.6	-10.6	0	0	0	111.5	R425 N431 L432 S433 M539	R425-N429 WeakPolarHBondContact O-CB 3.22Å; R425-N429 PolarHBondContact O-N 2.91Å; R425-N429 VanDerWaalsContact O-N 3.08Å; N429-N431 PolarHBondContact O-N 3.18Å; N429-L432 PolarHBondContact O-N 3.11Å; N429-S433 WeakPolarHBondContact O-CB 3.02Å; N429-S433 PolarHBondContact O-N 3.03Å; N429-S433 PolarHBondContact O-OG 3.43Å; N429-M539 HydrophobicContact CB-CE 3.66Å; N429-M539 WeakPolarHBondContact OD1-CE 3.4Å
430	Y	66.2	Low	56.6	Low	88 Å²	88	71.9 Å²	71.9	35%	0.345	36%	0.356	S	S	.	.	H	α-helix	trans	-58.9	-47.6	177.9	-179.5	-95.8	0	0	0	111.5	K426 F427 V428 S433 K434	K426-Y430 WeakPolarHBondContact O-CB 3.47Å; K426-Y430 PolarHBondContact O-N 3.44Å; F427-Y430 WeakPolarHBondContact O-CB 3.43Å; F427-Y430 PolarHBondContact O-N 3.03Å; V428-Y430 VanDerWaalsContact C-N 3.34Å; V428-Y430 PolarHBondContact O-N 2.76Å; Y430-S433 PolarHBondContact O-N 3.17Å; Y430-S433 PolarHBondContact O-OG 3.05Å; Y430-K434 HydrophobicContact CE1-CD 3.75Å; Y430-K434 HydrophobicContact CE2-CD 4.45Å; Y430-K434 WeakPolarHBondContact O-CB 3.49Å; Y430-K434 PolarHBondContact O-N 3.3Å; Y430-K434 VanDerWaalsContact O-N 3.08Å; Y430-K434 WeakPolarHBondContact OH-CD 3.44Å; Y430-K434 PolarHBondContact OH-NZ 3.08Å
431	N	61.4	Low	55.8	Low	2 Å²	2	73.9 Å²	73.9	1%	0.011	37%	0.368	C	S	.	.	H	α-helix	trans	-61	-48.2	175.5	-81.5	-83.7	0	0	0	112.1	F427 V428 N429 S433 K434 L435 F489 I498 G499	F427-N431 WeakPolarHBondContact CE1-ND2 3.38Å; F427-N431 WeakPolarHBondContact CZ-ND2 3.38Å; F427-N431 PolarHBondContact O-N 2.86Å; F427-N431 PolarHBondContact O-ND2 3.06Å; V428-N431 PolarHBondContact O-N 2.91Å; N429-N431 PolarHBondContact O-N 3.18Å; N431-S433 PolarHBondContact O-N 3.41Å; N431-K434 PolarHBondContact O-N 3.29Å; N431-K434 VanDerWaalsContact O-N 3.11Å; N431-L435 WeakPolarHBondContact O-CB 3.32Å; N431-L435 PolarHBondContact O-N 3.36Å; N431-F489 VanDerWaalsContact OD1-CZ 3.3Å; N431-F489 WeakPolarHBondContact OD1-CZ 3.31Å; N431-I498 HydrophobicContact CB-CG2 3.96Å; N431-G499 PolarHBondContact ND2-O 3.37Å; N431-G499 PolarHBondContact OD1-O 3.07Å
432	L	64.5	Low	54.7	Low	64 Å²	64	81.2 Å²	81.2	34%	0.335	40%	0.402	S	S	.	.	H	α-helix	trans	-60.9	-27.2	177.5	-169.3	68.2	0	0	0	113	V428 N429 I437 Y532 I535	V428-L432 WeakPolarHBondContact O-CB 3.48Å; V428-L432 PolarHBondContact O-N 3.48Å; N429-L432 PolarHBondContact O-N 3.11Å; L432-I437 HydrophobicContact CD1-CD1 3.78Å; L432-Y532 HydrophobicContact CD1-CD1 4.07Å; L432-Y532 HydrophobicContact CD1-CE1 4.2Å; L432-I535 HydrophobicContact CD1-CD1 4.48Å; L432-I535 HydrophobicContact CD2-CG2 4.05Å
433	S	59.7	Low	53.3	Low	97 Å²	97	82.1 Å²	82.1	68%	0.678	41%	0.406	S	S	*	.	H	α-helix	trans	-86.6	-16.7	177.5	71.8	0	0	0	0	114.9	N429 Y430 N431	N429-S433 WeakPolarHBondContact O-CB 3.02Å; N429-S433 PolarHBondContact O-N 3.03Å; N429-S433 PolarHBondContact O-OG 3.43Å; Y430-S433 PolarHBondContact O-N 3.17Å; Y430-S433 PolarHBondContact O-OG 3.05Å; N431-S433 PolarHBondContact O-N 3.41Å
434	K	54.4	Low	52.3	Low	102 Å²	102	82.9 Å²	82.9	44%	0.443	41%	0.412	S	S	.	.	H	α-helix	trans	-117.3	-27.4	-172.7	-168.1	177	-175.7	-172.8	0	113.5	Y430 N431	Y430-K434 HydrophobicContact CE1-CD 3.75Å; Y430-K434 HydrophobicContact CE2-CD 4.45Å; Y430-K434 WeakPolarHBondContact O-CB 3.49Å; Y430-K434 PolarHBondContact O-N 3.3Å; Y430-K434 VanDerWaalsContact O-N 3.08Å; Y430-K434 WeakPolarHBondContact OH-CD 3.44Å; Y430-K434 PolarHBondContact OH-NZ 3.08Å; N431-K434 PolarHBondContact O-N 3.29Å; N431-K434 VanDerWaalsContact O-N 3.11Å
435	L	48.9	Very low	50.9	Low	71 Å²	71	87.8 Å²	87.8	37%	0.372	45%	0.447	S	S	.	.	S	Bend	trans	-105.3	117.1	168.4	-60.5	174.2	0	0	0	107	N431 I437 F489	N431-L435 WeakPolarHBondContact O-CB 3.32Å; N431-L435 PolarHBondContact O-N 3.36Å; L435-I437 PolarHBondContact O-N 2.82Å; L435-F489 HydrophobicContact CD1-CE2 4.23Å
436	N	43.7	Very low	49.4	Very low	165 Å²	165	91 Å²	91	88%	0.882	47%	0.466	S	S	*	.			trans	-64.1	88.1	156.3	-77.1	-35.5	0	0	0	106.6	L438	N436-L438 PolarHBondContact O-N 3.46Å
437	I	48.9	Very low	47.8	Very low	16 Å²	16	92.7 Å²	92.7	8%	0.082	48%	0.478	C	S	.	.			trans	-51.2	118.1	168.3	-66	170.8	0	0	0	105.3	L432 L435 I498 Y532 I535	L432-I437 HydrophobicContact CD1-CD1 3.78Å; L435-I437 PolarHBondContact O-N 2.82Å; I437-I498 HydrophobicContact CD1-CG1 4.17Å; I437-Y532 HydrophobicContact CB-CE1 4.3Å; I437-Y532 PolarHBondContact O-OH 2.85Å; I437-I535 HydrophobicContact CD1-CD1 3.63Å
438	L	35.4	Very low	46.5	Very low	118 Å²	118	100.3 Å²	100.3	62%	0.618	51%	0.513	S	S	*	.			trans	-62.4	145.8	-169.9	-162.1	64.9	0	0	0	108.7	N436 N440	N436-L438 PolarHBondContact O-N 3.46Å; L438-N440 WeakPolarHBondContact CG-OD1 3.45Å; L438-N440 PolarHBondContact O-N 3.49Å
439	K	36	Very low	44.8	Very low	173 Å²	173	108.4 Å²	108.4	75%	0.752	55%	0.551	S	S	*	*	S	Bend	trans	-73.9	56.1	-173.7	-69	-175.8	176	-178.7	0	112.5	S441	K439-S441 VanDerWaalsContact C-N 3.31Å; K439-S441 PolarHBondContact O-N 3.27Å
440	N	30.8	Very low	43	Very low	81 Å²	81	111.3 Å²	111.3	43%	0.433	57%	0.566	S	S	.	*			trans	-98.4	42.5	-175.6	-67	16.9	0	0	0	110.6	L438 H442	L438-N440 WeakPolarHBondContact CG-OD1 3.45Å; L438-N440 PolarHBondContact O-N 3.49Å; N440-H442 PolarHBondContact O-N 3.37Å
441	S	37	Very low	41.7	Very low	61 Å²	61	115.7 Å²	115.7	43%	0.427	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.3	16.9	178.7	54.5	0	0	0	0	114.3	K439 D530	K439-S441 VanDerWaalsContact C-N 3.31Å; K439-S441 PolarHBondContact O-N 3.27Å; S441-D530 VanDerWaalsContact CB-CG 3.44Å; S441-D530 WeakPolarHBondContact CB-OD1 3.41Å; S441-D530 WeakPolarHBondContact CB-OD2 3.49Å
442	H	39.4	Very low	40.5	Very low	172 Å²	172	123.7 Å²	123.7	80%	0.796	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.9	0.2	-165.1	-131.6	-70.2	0	0	0	114.7	N440	N440-H442 PolarHBondContact O-N 3.37Å
443	F	32.8	Very low	38.8	Very low	136 Å²	136	123.1 Å²	123.1	60%	0.596	64%	0.637	S	S	*	*			trans	-96.8	-5.9	-176.6	-166	-108.7	0	0	0	114.6	S445 M447	F443-S445 PolarHBondContact O-N 3.03Å; F443-S445 VanDerWaalsContact O-N 3.12Å; F443-M447 HydrophobicContact CE1-CG 4.41Å
444	V	39.1	Very low	37.3	Very low	69 Å²	69	125.7 Å²	125.7	42%	0.418	65%	0.649	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.5	-5.4	-172.3	-172.1	0	0	0	0	113.2	P518 L519	V444-P518 HydrophobicContact CG1-CG 4.16Å; V444-L519 HydrophobicContact CG1-CD1 4.27Å; V444-L519 HydrophobicContact CG1-CG 4.43Å; V444-L519 HydrophobicContact CG2-CD1 4.34Å
445	S	37	Very low	36.4	Very low	111 Å²	111	126.3 Å²	126.3	78%	0.776	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-12.1	-174.1	-61.6	0	0	0	0	115.8	F443	F443-S445 PolarHBondContact O-N 3.03Å; F443-S445 VanDerWaalsContact O-N 3.12Å
446	E	36.8	Very low	35.8	Very low	155 Å²	155	127.9 Å²	127.9	72%	0.724	67%	0.674	S	S	*	*			trans	-117.1	-4.4	-162.2	-158.1	154.9	-138.8	0	0	115.2	H448	E446-H448 PolarHBondContact O-N 3.14Å
447	M	32.2	Very low	35.3	Very low	159 Å²	159	124.5 Å²	124.5	78%	0.783	66%	0.656	S	S	*	*			trans	-79.7	69.6	172.7	-59.3	-137.2	79.8	0	0	111.2	F443	F443-M447 HydrophobicContact CE1-CG 4.41Å
448	H	37.1	Very low	34.6	Very low	170 Å²	170	127.8 Å²	127.8	79%	0.787	68%	0.679	S	S	*	*			trans	-63.6	146.4	178.4	-120.4	-98.2	0	0	0	112	E446 D450	E446-H448 PolarHBondContact O-N 3.14Å; H448-D450 PolarHBondContact O-N 3.15Å
449	H	31.8	Very low	34.4	Very low	176 Å²	176	131.5 Å²	131.5	82%	0.815	69%	0.687	S	S	*	*			trans	-60.5	119	-177.5	-58.4	-78.4	0	0	0	112.9
450	D	29.8	Very low	34.2	Very low	152 Å²	152	128.7 Å²	128.7	81%	0.813	68%	0.68	S	S	*	*			trans	-161.7	152.9	135.2	-127.6	-28.8	0	0	0	113.9	H448	H448-D450 PolarHBondContact O-N 3.15Å
451	K	38.9	Very low	34	Very low	180 Å²	180	132.9 Å²	132.9	78%	0.783	70%	0.702	S	S	*	*			trans	66.2	130.1	175.5	-63.3	174.2	-178.4	169.2	0	118.9
452	I	35.5	Very low	34.1	Very low	170 Å²	170	134.9 Å²	134.9	87%	0.872	71%	0.712	S	S	*	*			trans	67.3	121.5	162.3	-51.4	151.6	0	0	0	114.8
453	G	29	Very low	33.6	Very low	51 Å²	51	136.6 Å²	136.6	53%	0.526	72%	0.72	S	S	.	*			cis	138.7	89.4	2.2	0	0	0	0	0	111.6	N455	G453-N455 PolarHBondContact O-N 3.08Å; G453-N455 VanDerWaalsContact O-N 3.15Å
454	T	30	Very low	33.7	Very low	151 Å²	151	135 Å²	135	93%	0.926	72%	0.722	S	S	*	*			trans	32.2	66.9	158.8	57.5	0	0	0	0	117
455	N	33.6	Very low	33.2	Very low	116 Å²	116	136.5 Å²	136.5	62%	0.62	74%	0.742	S	S	*	*			trans	-142.8	62.4	169.1	-132.5	-5.7	0	0	0	113.8	G453 N457	G453-N455 PolarHBondContact O-N 3.08Å; G453-N455 VanDerWaalsContact O-N 3.15Å; N455-N457 PolarHBondContact O-N 2.87Å
456	S	36.4	Very low	33.1	Very low	103 Å²	103	139.8 Å²	139.8	72%	0.72	75%	0.747	S	S	*	*			trans	-74.7	42.8	165.3	64.9	0	0	0	0	112.2
457	N	33.6	Very low	32.9	Very low	95 Å²	95	139.3 Å²	139.3	51%	0.508	75%	0.749	S	S	.	*			trans	-117.4	87.2	178.7	-80	-12.3	0	0	0	109.2	N455 Y459	N455-N457 PolarHBondContact O-N 2.87Å; N457-Y459 PolarHBondContact O-N 3.07Å
458	C	34	Very low	33	Very low	85 Å²	85	138.1 Å²	138.1	57%	0.574	75%	0.745	S	S	*	*			trans	-78.8	58.7	160.7	-168.1	0	0	0	0	109.5	C507	C458-C507 PolarHBondContact SG-SG 2.89Å
459	Y	32.4	Very low	32.8	Very low	196 Å²	196	137.3 Å²	137.3	77%	0.769	74%	0.741	S	S	*	*			trans	-144.6	66	-178.7	-79.3	-68.2	0	0	0	108.1	N457	N457-Y459 PolarHBondContact O-N 3.07Å
460	N	31.1	Very low	32.9	Very low	114 Å²	114	136.3 Å²	136.3	61%	0.61	74%	0.742	S	S	*	*			trans	-134.4	92.4	169.3	-76.8	-41.2	0	0	0	106.7	T462	N460-T462 PolarHBondContact O-N 3.49Å
461	D	27.1	Very low	33.1	Very low	169 Å²	169	134.1 Å²	134.1	90%	0.904	73%	0.73	S	S	*	*			trans	-76.1	76	174.4	-65.9	-50.9	0	0	0	109.4
462	T	38.1	Very low	32.8	Very low	103 Å²	103	130.8 Å²	130.8	63%	0.632	73%	0.73	S	S	*	*			trans	-124	96.6	172.5	54.4	0	0	0	0	109.1	N460 T464	N460-T462 PolarHBondContact O-N 3.49Å; T462-T464 VanDerWaalsContact C-N 3.29Å; T462-T464 PolarHBondContact O-N 2.82Å
463	E	30.3	Very low	32.6	Very low	207 Å²	207	131.7 Å²	131.7	97%	0.967	73%	0.73	S	S	*	*			trans	-63.5	92.1	164.1	-67.9	-172.1	140.8	0	0	108.2
464	T	32.9	Very low	33	Very low	102 Å²	102	138.3 Å²	138.3	63%	0.626	75%	0.75	S	S	*	*			trans	-146.7	114.1	-178.3	-50.6	0	0	0	0	109.2	T462 M466	T462-T464 VanDerWaalsContact C-N 3.29Å; T462-T464 PolarHBondContact O-N 2.82Å; T464-M466 PolarHBondContact O-N 2.83Å
465	A	29.5	Very low	33.1	Very low	102 Å²	102	138.2 Å²	138.2	84%	0.843	74%	0.743	S	S	*	*			trans	-64.5	127.8	-176.8	0	0	0	0	0	111.1
466	M	35	Very low	33.1	Very low	180 Å²	180	138.9 Å²	138.9	89%	0.887	75%	0.747	S	S	*	*			trans	-112	127.3	166.8	-70	-163.9	172.3	0	0	109.6	T464	T464-M466 PolarHBondContact O-N 2.83Å
467	N	33.2	Very low	33.4	Very low	144 Å²	144	142.5 Å²	142.5	77%	0.77	75%	0.752	S	S	*	*			trans	-76.9	135.5	-172	-91.8	-46	0	0	0	112.6
468	I	34.3	Very low	33.2	Very low	135 Å²	135	145.5 Å²	145.5	69%	0.692	77%	0.769	S	S	*	*				26.7	112.8	124.9	-49.9	172.6	0	0	0	115.5
469	H	32.3	Very low	33.4	Very low	152 Å²	152	149.5 Å²	149.5	70%	0.704	78%	0.783	S	S	*	*			trans	-146	35.7	150.7	-142	-77.4	0	0	0	115.1	N471	H469-N471 VanDerWaalsContact C-N 3.29Å; H469-N471 PolarHBondContact CE1-ND2 2.85Å; H469-N471 PolarHBondContact O-N 3.36Å
470	N	33.9	Very low	33.6	Very low	155 Å²	155	145.1 Å²	145.1	83%	0.829	78%	0.781	S	S	*	*			trans	-80.4	74	169.5	-74.1	1.7	0	0	0	110.7
471	N	33.7	Very low	33.7	Very low	107 Å²	107	150.1 Å²	150.1	57%	0.572	80%	0.797	S	S	*	*			trans	-97	138.3	171.4	-76.1	-12	0	0	0	110.6	H469	H469-N471 VanDerWaalsContact C-N 3.29Å; H469-N471 PolarHBondContact CE1-ND2 2.85Å; H469-N471 PolarHBondContact O-N 3.36Å
472	S	32.5	Very low	34.3	Very low	110 Å²	110	147.2 Å²	147.2	77%	0.769	79%	0.785	S	S	*	*			trans	53.1	122.6	150.9	58.4	0	0	0	0	118.1
473	E	32.5	Very low	33.9	Very low	189 Å²	189	151 Å²	151	88%	0.883	80%	0.795	S	S	*	*			cis	-149.8	141.8	14.6	-55.9	177.6	119	0	0	111.1
474	M	36.5	Very low	34.4	Very low	190 Å²	190	147.8 Å²	147.8	94%	0.936	78%	0.78	S	S	*	*			trans	-152.7	142.4	146.9	-111.2	-60.1	172.8	0	0	108.9
475	N	32.8	Very low	35	Very low	148 Å²	148	152 Å²	152	79%	0.791	79%	0.79	S	S	*	*			trans	-88.1	155.9	-151	-136.2	-34.8	0	0	0	114.8
476	N	32.3	Very low	35.9	Very low	131 Å²	131	154.4 Å²	154.4	70%	0.701	78%	0.784	S	S	*	*			trans	-70.7	140	-177.8	-66.7	-78.5	0	0	0	112.6
477	Q	44.1	Very low	37.1	Very low	178 Å²	178	147.9 Å²	147.9	83%	0.832	76%	0.755	S	S	*	*			trans	-167.8	103.9	131.4	-106.1	148.9	99	0	0	113.3
478	N	30	Very low	39.1	Very low	159 Å²	159	148.3 Å²	148.3	85%	0.85	76%	0.756	S	S	*	*			trans	33.6	88	144.1	-57	-16.2	0	0	0	118.9
479	I	37.2	Very low	41.3	Very low	169 Å²	169	143.6 Å²	143.6	87%	0.867	73%	0.73	S	S	*	*			trans	-121.1	139.9	147.1	-65	-176.8	0	0	0	108.5
480	S	37.5	Very low	43.7	Very low	104 Å²	104	140.3 Å²	140.3	73%	0.727	72%	0.723	S	S	*	*			trans	-73.7	162.6	-168.1	46.9	0	0	0	0	114.2	V482	S480-V482 PolarHBondContact O-N 3.35Å
481	K	32.6	Very low	46.2	Very low	218 Å²	218	136.7 Å²	136.7	95%	0.948	70%	0.698	S	S	*	*			trans	-52.8	105.2	-176.4	-63.8	175.4	-179.7	178.2	0	112.7
482	V	39.4	Very low	48.7	Very low	108 Å²	108	135.6 Å²	135.6	66%	0.655	69%	0.691	S	S	*	*			trans	-114.6	129.1	152.7	178.2	0	0	0	0	106.1	S480 H484	S480-V482 PolarHBondContact O-N 3.35Å; V482-H484 PolarHBondContact O-N 3.29Å
483	E	29.6	Very low	51.3	Low	183 Å²	183	130.4 Å²	130.4	86%	0.855	66%	0.655	S	S	*	*			trans	-73.4	69.9	175.3	-68.5	-170.2	155	0	0	111	F485	E483-F485 PolarHBondContact O-N 3.32Å
484	H	40.1	Very low	53.8	Low	139 Å²	139	128.6 Å²	128.6	64%	0.644	65%	0.646	S	S	*	*			trans	-63.5	106.5	163.9	-99.8	72.7	0	0	0	108.4	V482 Q486	V482-H484 PolarHBondContact O-N 3.29Å; H484-Q486 HydrophobicContact CB-CG 4.16Å; H484-Q486 PolarHBondContact O-N 3.24Å
485	F	46	Very low	56.1	Low	191 Å²	191	124.7 Å²	124.7	84%	0.838	62%	0.622	S	S	*	*			trans	-61.5	79.9	157.2	-87.5	-97.5	0	0	0	108.9	E483 P487	E483-F485 PolarHBondContact O-N 3.32Å; F485-P487 WeakPolarHBondContact O-CD 3.13Å
486	Q	49.2	Very low	58.6	Low	153 Å²	153	117.7 Å²	117.7	72%	0.715	59%	0.585	S	S	*	*			trans	-69.2	122.8	167.6	-66.3	-163	-7.7	0	0	107.4	H484 I488	H484-Q486 HydrophobicContact CB-CG 4.16Å; H484-Q486 PolarHBondContact O-N 3.24Å; Q486-I488 PolarHBondContact O-N 3.33Å
487	P	60.2	Low	61	Low	43 Å²	43	116.2 Å²	116.2	28%	0.279	57%	0.573	S	S	.	*			trans	-66.2	111.7	177.4	26.9	-33.2	0	0	0	108.9	F485 F489	F485-P487 WeakPolarHBondContact O-CD 3.13Å; P487-F489 HydrophobicContact CB-CD1 4.43Å; P487-F489 HydrophobicContact CB-CE1 3.86Å; P487-F489 HydrophobicContact CB-CE2 4.38Å; P487-F489 HydrophobicContact CB-CZ 3.85Å; P487-F489 HydrophobicContact CG-CE1 4Å; P487-F489 HydrophobicContact CG-CE2 3.81Å; P487-F489 HydrophobicContact CG-CZ 3.44Å; P487-F489 VanDerWaalsContact CG-CZ 3.44Å; P487-F489 WeakPolarHBondContact O-CD2 3.24Å; P487-F489 PolarHBondContact O-N 2.9Å
488	I	73.6	Confident	62.8	Low	153 Å²	153	107.8 Å²	107.8	79%	0.785	53%	0.534	S	S	*	.			trans	-65.7	120.3	170.4	-58.7	174.8	0	0	0	106.9	Q486 P490	Q486-I488 PolarHBondContact O-N 3.33Å; I488-P490 WeakPolarHBondContact O-CD 3.33Å
489	F	82.2	Confident	65.5	Low	35 Å²	35	100.3 Å²	100.3	15%	0.154	50%	0.495	C	S	.	.			trans	-104.5	94	179.9	-64.9	-56.8	0	0	0	109.7	F427 N431 L435 P487 Y491 I492 V501	F427-F489 HydrophobicContact CE2-CE1 4.3Å; F427-F489 HydrophobicContact CZ-CD1 4.33Å; F427-F489 AromaticContact CZ-CE1 3.81Å; F427-F489 HydrophobicContact CZ-CE1 3.81Å; N431-F489 VanDerWaalsContact OD1-CZ 3.3Å; N431-F489 WeakPolarHBondContact OD1-CZ 3.31Å; L435-F489 HydrophobicContact CD1-CE2 4.23Å; P487-F489 HydrophobicContact CB-CD1 4.43Å; P487-F489 HydrophobicContact CB-CE1 3.86Å; P487-F489 HydrophobicContact CB-CE2 4.38Å; P487-F489 HydrophobicContact CB-CZ 3.85Å; P487-F489 HydrophobicContact CG-CE1 4Å; P487-F489 HydrophobicContact CG-CE2 3.81Å; P487-F489 HydrophobicContact CG-CZ 3.44Å; P487-F489 VanDerWaalsContact CG-CZ 3.44Å; P487-F489 WeakPolarHBondContact O-CD2 3.24Å; P487-F489 PolarHBondContact O-N 2.9Å; F489-Y491 PolarHBondContact O-N 2.82Å; F489-I492 HydrophobicContact CB-CG1 4.46Å; F489-V501 HydrophobicContact CD1-CG2 3.69Å; F489-V501 HydrophobicContact CE1-CG2 3.71Å
490	P	82.9	Confident	67.6	Low	84 Å²	84	92.3 Å²	92.3	55%	0.545	45%	0.453	S	S	.	.	S	Bend	trans	-66.7	-16.6	-177.8	24.2	-33.8	0	0	0	114.5	I488 F500	I488-P490 WeakPolarHBondContact O-CD 3.33Å; P490-F500 WeakPolarHBondContact CD-O 3.38Å
491	Y	84.5	Confident	69.7	Low	78 Å²	78	90.5 Å²	90.5	31%	0.306	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	115.6	177.8	-48.8	-82.4	0	0	0	109.6	F489 G499 F500 Q503 Y506	F489-Y491 PolarHBondContact O-N 2.82Å; Y491-G499 CarbonylContact O-C 3.59Å; Y491-F500 PolarHBondContact N-O 2.87Å; Y491-F500 PolarHBondContact O-N 2.9Å; Y491-Q503 HydrophobicContact CD1-CG 4.38Å; Y491-Q503 HydrophobicContact CD2-CB 4.33Å; Y491-Q503 HydrophobicContact CE1-CB 3.98Å; Y491-Q503 HydrophobicContact CE1-CG 3.88Å; Y491-Q503 HydrophobicContact CE2-CB 3.78Å; Y491-Y506 HydrophobicContact CD1-CD1 4.41Å; Y491-Y506 HydrophobicContact CG-CG 4.39Å
492	I	86.6	Confident	71.8	Confident	85 Å²	85	82.4 Å²	82.4	44%	0.436	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	135.2	-178.9	-57.2	177	0	0	0	109.1	F489 E494 I498 Y506	F489-I492 HydrophobicContact CB-CG1 4.46Å; I492-E494 PolarHBondContact O-N 3.45Å; I492-I498 WeakPolarHBondContact CA-O 3.49Å; I492-Y506 WeakPolarHBondContact O-CE2 3.26Å
493	C	87.2	Confident	73.9	Confident	0 Å²	0	82 Å²	82	0%	0	39%	0.394	C	S	.	.			trans	-72.6	119.6	172.9	175.4	0	0	0	0	111.1	Y495 C496 Q497 I498 F500 H509 M510	C493-Y495 VanDerWaalsContact C-N 3.29Å; C493-Y495 PolarHBondContact O-N 2.67Å; C493-Y495 PolarHBondContact SG-N 2.89Å; C493-Y495 VanDerWaalsContact SG-N 3.44Å; C493-C496 HydrophobicContact CB-CB 4.31Å; C493-C496 PolarHBondContact SG-N 3.08Å; C493-Q497 WeakPolarHBondContact O-CA 3.36Å; C493-Q497 PolarHBondContact O-N 3.31Å; C493-I498 PolarHBondContact N-O 3.32Å; C493-F500 HydrophobicContact CB-CE2 4.29Å; C493-H509 VanDerWaalsContact CB-NE2 3.32Å; C493-H509 WeakPolarHBondContact CB-NE2 3.46Å; C493-H509 PolarHBondContact SG-NE2 2.96Å; C493-M510 HydrophobicContact CB-CE 3.78Å; C493-M510 WeakPolarHBondContact SG-CE 3.46Å
494	E	85.9	Confident	76.4	Confident	152 Å²	152	75 Å²	75	71%	0.71	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-36.3	177.1	-62.7	171.1	162.7	0	0	112.2	I492	I492-E494 PolarHBondContact O-N 3.45Å
495	Y	85.3	Confident	78.4	Confident	107 Å²	107	69 Å²	69	42%	0.42	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-27.7	-176	-50	-65.3	0	0	0	115.2	C493 M510 H513 P518	C493-Y495 VanDerWaalsContact C-N 3.29Å; C493-Y495 PolarHBondContact O-N 2.67Å; C493-Y495 PolarHBondContact SG-N 2.89Å; C493-Y495 VanDerWaalsContact SG-N 3.44Å; Y495-M510 HydrophobicContact CD2-CE 4.44Å; Y495-H513 AromaticContact CD2-CD2 3.98Å; Y495-H513 AromaticContact CD2-CE1 3.98Å; Y495-H513 AromaticContact CD2-CG 3.95Å; Y495-H513 AromaticContact CD2-ND1 3.96Å; Y495-P518 HydrophobicContact CD1-CB 3.35Å; Y495-P518 HydrophobicContact CD1-CG 3.72Å; Y495-P518 HydrophobicContact CD2-CB 4.06Å; Y495-P518 HydrophobicContact CE1-CB 3.85Å; Y495-P518 HydrophobicContact CE1-CG 4.13Å; Y495-P518 HydrophobicContact CG-CB 3.47Å; Y495-P518 VanDerWaalsContact CG-CB 3.47Å; Y495-P518 HydrophobicContact CG-CG 4.3Å
496	C	83.4	Confident	80.3	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.014	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-7.2	-174.1	-67.5	0	0	0	0	113.9	C493 I498 H513 V531 I535	C493-C496 HydrophobicContact CB-CB 4.31Å; C493-C496 PolarHBondContact SG-N 3.08Å; C496-I498 HydrophobicContact CB-CD1 3.85Å; C496-I498 HydrophobicContact CB-CG1 4.05Å; C496-I498 PolarHBondContact O-N 3.28Å; C496-H513 VanDerWaalsContact SG-CE1 3.51Å; C496-V531 HydrophobicContact CB-CG1 4.04Å; C496-I535 HydrophobicContact CB-CD1 4.45Å
497	Q	84	Confident	82.1	Confident	99 Å²	99	57 Å²	57	46%	0.463	29%	0.289	S	S	.	.			trans	57.2	17.8	-177.7	-56.1	179.5	8.9	0	0	114.8	C493	C493-Q497 WeakPolarHBondContact O-CA 3.36Å; C493-Q497 PolarHBondContact O-N 3.31Å
498	I	81.7	Confident	83.3	Confident	2 Å²	2	57 Å²	57	1%	0.01	29%	0.287	C	S	.	.			trans	-76.3	125.1	174.3	-59.8	162.1	0	0	0	109.2	V428 N431 I437 I492 C493 C496 F500 I535	V428-I498 HydrophobicContact CG1-CD1 3.89Å; V428-I498 HydrophobicContact CG2-CD1 4.33Å; V428-I498 HydrophobicContact CG2-CG2 4.48Å; N431-I498 HydrophobicContact CB-CG2 3.96Å; I437-I498 HydrophobicContact CD1-CG1 4.17Å; I492-I498 WeakPolarHBondContact CA-O 3.49Å; C493-I498 PolarHBondContact N-O 3.32Å; C496-I498 HydrophobicContact CB-CD1 3.85Å; C496-I498 HydrophobicContact CB-CG1 4.05Å; C496-I498 PolarHBondContact O-N 3.28Å; I498-F500 HydrophobicContact CB-CE2 3.8Å; I498-F500 HydrophobicContact CB-CZ 3.99Å; I498-F500 HydrophobicContact CG2-CD2 4.25Å; I498-F500 HydrophobicContact CG2-CE1 4.09Å; I498-F500 HydrophobicContact CG2-CE2 3.55Å; I498-F500 HydrophobicContact CG2-CZ 3.44Å; I498-F500 VanDerWaalsContact CG2-CZ 3.44Å; I498-F500 WeakPolarHBondContact O-CD2 3.3Å; I498-F500 VanDerWaalsContact O-CE2 3.25Å; I498-F500 WeakPolarHBondContact O-CE2 3.45Å; I498-I535 HydrophobicContact CD1-CD1 3.87Å; I498-I535 HydrophobicContact CD1-CG1 3.99Å; I498-I535 HydrophobicContact CG1-CD1 4.36Å
499	G	85.8	Confident	83.9	Confident	2 Å²	2	49.8 Å²	49.8	2%	0.021	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	139.9	172	0	0	0	0	0	112.9	F427 N431 Y491	F427-G499 WeakPolarHBondContact CE1-O 3.31Å; F427-G499 WeakPolarHBondContact CZ-O 3.43Å; N431-G499 PolarHBondContact ND2-O 3.37Å; N431-G499 PolarHBondContact OD1-O 3.07Å; Y491-G499 CarbonylContact O-C 3.59Å
500	F	81.4	Confident	84.1	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	135.2	-179.4	-60.7	-92.4	0	0	0	111.1	L424 F427 V428 P490 Y491 C493 I498 L505 Y506 H509	L424-F500 HydrophobicContact CD1-CD1 4.39Å; L424-F500 HydrophobicContact CD1-CE1 3.72Å; F427-F500 AromaticContact CD1-CD1 3.61Å; F427-F500 HydrophobicContact CD1-CD1 3.61Å; F427-F500 AromaticContact CD1-CE1 3.78Å; F427-F500 HydrophobicContact CD1-CE1 3.78Å; F427-F500 HydrophobicContact CE1-CB 4.15Å; F427-F500 AromaticContact CE1-CD1 3.29Å; F427-F500 HydrophobicContact CE1-CD1 3.29Å; F427-F500 AromaticContact CE1-CE1 3.8Å; F427-F500 HydrophobicContact CE1-CE1 3.8Å; F427-F500 AromaticContact CE1-CG 3.87Å; F427-F500 HydrophobicContact CE1-CG 3.87Å; F427-F500 HydrophobicContact CZ-CD1 4.37Å; V428-F500 HydrophobicContact CG2-CE1 4.18Å; V428-F500 HydrophobicContact CG2-CZ 4.3Å; P490-F500 WeakPolarHBondContact CD-O 3.38Å; Y491-F500 PolarHBondContact N-O 2.87Å; Y491-F500 PolarHBondContact O-N 2.9Å; C493-F500 HydrophobicContact CB-CE2 4.29Å; I498-F500 HydrophobicContact CB-CE2 3.8Å; I498-F500 HydrophobicContact CB-CZ 3.99Å; I498-F500 HydrophobicContact CG2-CD2 4.25Å; I498-F500 HydrophobicContact CG2-CE1 4.09Å; I498-F500 HydrophobicContact CG2-CE2 3.55Å; I498-F500 HydrophobicContact CG2-CZ 3.44Å; I498-F500 VanDerWaalsContact CG2-CZ 3.44Å; I498-F500 WeakPolarHBondContact O-CD2 3.3Å; I498-F500 VanDerWaalsContact O-CE2 3.25Å; I498-F500 WeakPolarHBondContact O-CE2 3.45Å; F500-L505 HydrophobicContact CD1-CB 3.72Å; F500-L505 HydrophobicContact CE1-CB 4.43Å; F500-Y506 AromaticContact CD2-CD2 3.87Å; F500-Y506 HydrophobicContact CD2-CD2 3.87Å; F500-Y506 HydrophobicContact CE2-CD2 4.32Å; F500-H509 HydrophobicContact CE1-CB 4.03Å; F500-H509 HydrophobicContact CE2-CB 4.21Å; F500-H509 AromaticContact CE2-CD2 3.34Å; F500-H509 WeakPolarHBondContact CE2-CD2 3.39Å; F500-H509 AromaticContact CE2-CG 3.95Å; F500-H509 HydrophobicContact CZ-CB 3.58Å; F500-H509 AromaticContact CZ-CD2 3.3Å; F500-H509 WeakPolarHBondContact CZ-CD2 3.47Å; F500-H509 AromaticContact CZ-CG 3.45Å; F500-H509 VanDerWaalsContact CZ-CG 3.45Å; F500-H509 AromaticContact CZ-NE2 3.99Å
501	V	81.9	Confident	84.3	Confident	66 Å²	66	47.8 Å²	47.8	40%	0.4	24%	0.243	S	C	.	.	S	Bend	trans	-78.5	-28.6	176	-173.8	0	0	0	0	111.6	F427 F489	F427-V501 HydrophobicContact CE2-CG2 4.22Å; F427-V501 HydrophobicContact CZ-CG2 4.34Å; F489-V501 HydrophobicContact CD1-CG2 3.69Å; F489-V501 HydrophobicContact CE1-CG2 3.71Å
502	Q	76.8	Confident	84.4	Confident	48 Å²	48	44.3 Å²	44.3	22%	0.224	23%	0.229	C	C	.	.	S	Bend	trans	-118.8	131.7	-175.6	-66.5	178	-20.1	0	0	110.9	L117 A504 L505 Y506	L117-Q502 PolarHBondContact O-NE2 3.3Å; Q502-A504 PolarHBondContact O-N 3.23Å; Q502-L505 HydrophobicContact CB-CB 4.49Å; Q502-L505 HydrophobicContact CB-CD1 4.24Å; Q502-L505 HydrophobicContact CB-CG 4.19Å; Q502-L505 PolarHBondContact O-N 3.32Å; Q502-L505 VanDerWaalsContact O-N 3.08Å; Q502-Y506 PolarHBondContact O-N 3.27Å
503	Q	84.3	Confident	84.4	Confident	99 Å²	99	40.9 Å²	40.9	46%	0.463	21%	0.211	S	C	.	.	H	α-helix	trans	-53.9	-41.5	174.2	-166.9	177.8	-1	0	0	111.8	Y491 L505 Y506 C507	Y491-Q503 HydrophobicContact CD1-CG 4.38Å; Y491-Q503 HydrophobicContact CD2-CB 4.33Å; Y491-Q503 HydrophobicContact CE1-CB 3.98Å; Y491-Q503 HydrophobicContact CE1-CG 3.88Å; Y491-Q503 HydrophobicContact CE2-CB 3.78Å; Q503-L505 VanDerWaalsContact C-N 3.3Å; Q503-L505 PolarHBondContact O-N 3.38Å; Q503-Y506 WeakPolarHBondContact O-CB 3.44Å; Q503-Y506 PolarHBondContact O-N 2.93Å; Q503-Y506 VanDerWaalsContact O-N 3.12Å; Q503-C507 PolarHBondContact O-N 3.18Å; Q503-C507 PolarHBondContact O-SG 2.76Å
504	A	81.5	Confident	84.3	Confident	36 Å²	36	42 Å²	42	30%	0.298	22%	0.219	S	C	.	.	H	α-helix	trans	-57.9	-37.9	178.4	0	0	0	0	0	113.4	L117 Q502 L508	L117-A504 HydrophobicContact CD1-CB 4.12Å; Q502-A504 PolarHBondContact O-N 3.23Å; A504-L508 WeakPolarHBondContact O-CB 3.18Å; A504-L508 WeakPolarHBondContact O-CD1 3.39Å; A504-L508 VanDerWaalsContact O-CG 3.22Å; A504-L508 WeakPolarHBondContact O-CG 3.32Å; A504-L508 PolarHBondContact O-N 3.13Å; A504-L508 VanDerWaalsContact O-N 3.09Å
505	L	82.3	Confident	84	Confident	14 Å²	14	41.8 Å²	41.8	7%	0.073	23%	0.228	C	C	.	.	H	α-helix	trans	-72.7	-40	176.3	-65.3	175.5	0	0	0	111.4	L424 F427 F500 Q502 Q503 L508 H509	L424-L505 HydrophobicContact CB-CD2 4.49Å; L424-L505 HydrophobicContact CD1-CB 4.01Å; L424-L505 HydrophobicContact CD1-CD2 4.08Å; L424-L505 WeakPolarHBondContact CD1-O 3.32Å; F427-L505 HydrophobicContact CD1-CD1 4.42Å; F427-L505 HydrophobicContact CD2-CD1 4.45Å; F427-L505 HydrophobicContact CG-CD1 4.22Å; F500-L505 HydrophobicContact CD1-CB 3.72Å; F500-L505 HydrophobicContact CE1-CB 4.43Å; Q502-L505 HydrophobicContact CB-CB 4.49Å; Q502-L505 HydrophobicContact CB-CD1 4.24Å; Q502-L505 HydrophobicContact CB-CG 4.19Å; Q502-L505 PolarHBondContact O-N 3.32Å; Q502-L505 VanDerWaalsContact O-N 3.08Å; Q503-L505 VanDerWaalsContact C-N 3.3Å; Q503-L505 PolarHBondContact O-N 3.38Å; L505-L508 PolarHBondContact O-N 2.74Å; L505-H509 WeakPolarHBondContact O-CB 3.23Å; L505-H509 PolarHBondContact O-N 3.36Å
506	Y	85.1	Confident	83.8	Confident	51 Å²	51	44 Å²	44	20%	0.2	25%	0.247	C	C	.	.	H	α-helix	trans	-59.2	-48.1	173.2	175.1	-108.2	0	0	0	111.7	Y491 I492 F500 Q502 Q503 L508 H509 M510	Y491-Y506 HydrophobicContact CD1-CD1 4.41Å; Y491-Y506 HydrophobicContact CG-CG 4.39Å; I492-Y506 WeakPolarHBondContact O-CE2 3.26Å; F500-Y506 AromaticContact CD2-CD2 3.87Å; F500-Y506 HydrophobicContact CD2-CD2 3.87Å; F500-Y506 HydrophobicContact CE2-CD2 4.32Å; Q502-Y506 PolarHBondContact O-N 3.27Å; Q503-Y506 WeakPolarHBondContact O-CB 3.44Å; Q503-Y506 PolarHBondContact O-N 2.93Å; Q503-Y506 VanDerWaalsContact O-N 3.12Å; Y506-L508 PolarHBondContact O-N 3.43Å; Y506-H509 WeakPolarHBondContact O-CB 3.44Å; Y506-H509 PolarHBondContact O-N 3.47Å; Y506-H509 VanDerWaalsContact O-N 3.15Å; Y506-M510 HydrophobicContact CD1-CG 4.17Å; Y506-M510 HydrophobicContact CD2-CG 4.21Å; Y506-M510 HydrophobicContact CE1-CG 3.78Å; Y506-M510 HydrophobicContact CE2-CE 3.92Å; Y506-M510 HydrophobicContact CE2-CG 3.81Å; Y506-M510 HydrophobicContact CE2-SD 4.04Å; Y506-M510 HydrophobicContact CG-CG 4.37Å; Y506-M510 WeakPolarHBondContact O-CB 3.5Å; Y506-M510 WeakPolarHBondContact O-CG 3.34Å; Y506-M510 PolarHBondContact O-N 2.84Å
507	C	87.3	Confident	83.8	Confident	41 Å²	41	46.6 Å²	46.6	28%	0.277	26%	0.261	S	S	.	.	H	α-helix	trans	-64.1	-38.3	178.4	-61.6	0	0	0	0	112.7	C458 Q503 H509 G511	C458-C507 PolarHBondContact SG-SG 2.89Å; Q503-C507 PolarHBondContact O-N 3.18Å; Q503-C507 PolarHBondContact O-SG 2.76Å; C507-H509 VanDerWaalsContact C-N 3.33Å; C507-G511 PolarHBondContact O-N 3.4Å
508	L	86.1	Confident	83.8	Confident	43 Å²	43	43.2 Å²	43.2	23%	0.225	25%	0.247	C	C	.	.	H	α-helix	trans	-63.7	-37.9	173.2	-74	168.6	0	0	0	112	F421 L424 A504 L505 Y506 M512	F421-L508 HydrophobicContact CE1-CB 4.26Å; F421-L508 HydrophobicContact CE1-CD2 4.21Å; F421-L508 HydrophobicContact CE2-CD2 4.09Å; F421-L508 HydrophobicContact CZ-CD2 3.64Å; L424-L508 HydrophobicContact CD2-CB 4.18Å; A504-L508 WeakPolarHBondContact O-CB 3.18Å; A504-L508 WeakPolarHBondContact O-CD1 3.39Å; A504-L508 VanDerWaalsContact O-CG 3.22Å; A504-L508 WeakPolarHBondContact O-CG 3.32Å; A504-L508 PolarHBondContact O-N 3.13Å; A504-L508 VanDerWaalsContact O-N 3.09Å; L505-L508 PolarHBondContact O-N 2.74Å; Y506-L508 PolarHBondContact O-N 3.43Å; L508-M512 VanDerWaalsContact O-CG 3.3Å; L508-M512 WeakPolarHBondContact O-CG 3.46Å
509	H	85.2	Confident	84	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-71	-45.7	175.3	174.4	57.6	0	0	0	112.7	L424 C493 F500 L505 Y506 C507 G511 M512 H513	L424-H509 HydrophobicContact CD1-CB 4.27Å; L424-H509 HydrophobicContact CD2-CB 4.37Å; C493-H509 VanDerWaalsContact CB-NE2 3.32Å; C493-H509 WeakPolarHBondContact CB-NE2 3.46Å; C493-H509 PolarHBondContact SG-NE2 2.96Å; F500-H509 HydrophobicContact CE1-CB 4.03Å; F500-H509 HydrophobicContact CE2-CB 4.21Å; F500-H509 AromaticContact CE2-CD2 3.34Å; F500-H509 WeakPolarHBondContact CE2-CD2 3.39Å; F500-H509 AromaticContact CE2-CG 3.95Å; F500-H509 HydrophobicContact CZ-CB 3.58Å; F500-H509 AromaticContact CZ-CD2 3.3Å; F500-H509 WeakPolarHBondContact CZ-CD2 3.47Å; F500-H509 AromaticContact CZ-CG 3.45Å; F500-H509 VanDerWaalsContact CZ-CG 3.45Å; F500-H509 AromaticContact CZ-NE2 3.99Å; L505-H509 WeakPolarHBondContact O-CB 3.23Å; L505-H509 PolarHBondContact O-N 3.36Å; Y506-H509 WeakPolarHBondContact O-CB 3.44Å; Y506-H509 PolarHBondContact O-N 3.47Å; Y506-H509 VanDerWaalsContact O-N 3.15Å; C507-H509 VanDerWaalsContact C-N 3.33Å; H509-G511 PolarHBondContact O-N 2.94Å; H509-M512 VanDerWaalsContact O-CB 3.26Å; H509-M512 WeakPolarHBondContact O-CB 3.46Å; H509-M512 WeakPolarHBondContact O-CG 3.45Å; H509-M512 PolarHBondContact O-N 3.32Å; H509-H513 AromaticContact CE1-NE2 3.57Å; H509-H513 AromaticContact NE2-NE2 3.6Å
510	M	86.2	Confident	84.1	Confident	45 Å²	45	46.8 Å²	46.8	22%	0.222	26%	0.263	C	S	.	.	H	α-helix	trans	-55.3	-39.6	172.9	-73.8	-62.9	101.3	0	0	111.8	C493 Y495 Y506 M512 H513	C493-M510 HydrophobicContact CB-CE 3.78Å; C493-M510 WeakPolarHBondContact SG-CE 3.46Å; Y495-M510 HydrophobicContact CD2-CE 4.44Å; Y506-M510 HydrophobicContact CD1-CG 4.17Å; Y506-M510 HydrophobicContact CD2-CG 4.21Å; Y506-M510 HydrophobicContact CE1-CG 3.78Å; Y506-M510 HydrophobicContact CE2-CE 3.92Å; Y506-M510 HydrophobicContact CE2-CG 3.81Å; Y506-M510 HydrophobicContact CE2-SD 4.04Å; Y506-M510 HydrophobicContact CG-CG 4.37Å; Y506-M510 WeakPolarHBondContact O-CB 3.5Å; Y506-M510 WeakPolarHBondContact O-CG 3.34Å; Y506-M510 PolarHBondContact O-N 2.84Å; M510-M512 PolarHBondContact O-N 3.28Å; M510-M512 VanDerWaalsContact O-N 3.08Å; M510-H513 PolarHBondContact O-N 3.01Å; M510-H513 VanDerWaalsContact O-N 3.15Å
511	G	87.9	Confident	84.3	Confident	32 Å²	32	46.8 Å²	46.8	33%	0.33	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-14.5	173.6	0	0	0	0	0	115.2	C507 H509 N522 M523	C507-G511 PolarHBondContact O-N 3.4Å; H509-G511 PolarHBondContact O-N 2.94Å; G511-N522 WeakPolarHBondContact O-CB 3.42Å; G511-N522 PolarHBondContact O-ND2 2.94Å; G511-M523 VanDerWaalsContact O-CE 3.31Å; G511-M523 WeakPolarHBondContact O-CE 3.3Å
512	M	86.1	Confident	84.5	Confident	6 Å²	6	47.1 Å²	47.1	3%	0.03	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-22.4	177.3	-47.2	-169.9	86.2	0	0	113.2	F421 L424 L508 H509 M510 C521 N522 F534 T538	F421-M512 HydrophobicContact CD1-CE 4.27Å; F421-M512 HydrophobicContact CD1-SD 4.44Å; F421-M512 HydrophobicContact CE1-CE 4.36Å; F421-M512 HydrophobicContact CE1-CG 4.47Å; F421-M512 HydrophobicContact CE1-SD 4.35Å; L424-M512 HydrophobicContact CD2-SD 3.83Å; L508-M512 VanDerWaalsContact O-CG 3.3Å; L508-M512 WeakPolarHBondContact O-CG 3.46Å; H509-M512 VanDerWaalsContact O-CB 3.26Å; H509-M512 WeakPolarHBondContact O-CB 3.46Å; H509-M512 WeakPolarHBondContact O-CG 3.45Å; H509-M512 PolarHBondContact O-N 3.32Å; M510-M512 PolarHBondContact O-N 3.28Å; M510-M512 VanDerWaalsContact O-N 3.08Å; M512-C521 WeakPolarHBondContact O-CA 3.41Å; M512-N522 WeakPolarHBondContact O-CB 3.27Å; M512-N522 PolarHBondContact O-N 2.85Å; M512-F534 HydrophobicContact CB-CZ 4.31Å; M512-T538 HydrophobicContact CB-CG2 3.91Å; M512-T538 HydrophobicContact CE-CG2 3.82Å; M512-T538 HydrophobicContact SD-CG2 3.94Å
513	H	86.9	Confident	84.7	Confident	12 Å²	12	46.9 Å²	46.9	6%	0.056	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	144.2	174.5	-67.7	-77.9	0	0	0	111.1	Y495 C496 H509 M510 P518 F534	Y495-H513 AromaticContact CD2-CD2 3.98Å; Y495-H513 AromaticContact CD2-CE1 3.98Å; Y495-H513 AromaticContact CD2-CG 3.95Å; Y495-H513 AromaticContact CD2-ND1 3.96Å; C496-H513 VanDerWaalsContact SG-CE1 3.51Å; H509-H513 AromaticContact CE1-NE2 3.57Å; H509-H513 AromaticContact NE2-NE2 3.6Å; M510-H513 PolarHBondContact O-N 3.01Å; M510-H513 VanDerWaalsContact O-N 3.15Å; H513-P518 PolarHBondContact ND1-O 3.17Å; H513-F534 AromaticContact CE1-CD1 3.92Å; H513-F534 AromaticContact CE1-CE1 3.2Å; H513-F534 WeakPolarHBondContact CE1-CE1 3.2Å; H513-F534 AromaticContact CE1-CZ 3.55Å; H513-F534 AromaticContact CG-CZ 3.89Å; H513-F534 AromaticContact ND1-CE1 3.56Å; H513-F534 AromaticContact ND1-CZ 3.37Å; H513-F534 WeakPolarHBondContact ND1-CZ 3.29Å; H513-F534 AromaticContact NE2-CE1 3.69Å
514	C	85.8	Confident	84.8	Confident	24 Å²	24	43.6 Å²	43.6	16%	0.162	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	134.9	165.8	-79.5	0	0	0	0	110.5	N516 N517 K520 N522	C514-N516 PolarHBondContact O-N 3.49Å; C514-N516 VanDerWaalsContact O-N 3.14Å; C514-N517 WeakPolarHBondContact CB-O 3.21Å; C514-N517 CarbonylContact O-C 3.59Å; C514-N517 PolarHBondContact O-N 3.05Å; C514-K520 HydrophobicContact CB-CB 4.05Å; C514-K520 HydrophobicContact CB-CD 4.49Å; C514-K520 HydrophobicContact CB-CG 4.39Å; C514-K520 WeakPolarHBondContact CB-O 3.38Å; C514-K520 PolarHBondContact N-O 3.44Å; C514-K520 PolarHBondContact SG-O 2.94Å; C514-N522 VanDerWaalsContact SG-CA 3.54Å
515	V	78.7	Confident	84.9	Confident	147 Å²	147	44.2 Å²	44.2	89%	0.891	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-37.6	175.8	-176.9	0	0	0	0	112.3
516	N	81.6	Confident	85	Confident	155 Å²	155	48.8 Å²	48.8	83%	0.829	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-13.9	-177.5	-52.9	57.5	0	0	0	114.5	C514	C514-N516 PolarHBondContact O-N 3.49Å; C514-N516 VanDerWaalsContact O-N 3.14Å
517	N	82.7	Confident	85.1	Confident	56 Å²	56	49.8 Å²	49.8	30%	0.299	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	114.2	-179.3	-178.1	-61.4	0	0	0	108.9	C514 L519 K520	C514-N517 WeakPolarHBondContact CB-O 3.21Å; C514-N517 CarbonylContact O-C 3.59Å; C514-N517 PolarHBondContact O-N 3.05Å; N517-L519 VanDerWaalsContact C-N 3.34Å; N517-L519 PolarHBondContact O-N 3.28Å; N517-L519 WeakPolarHBondContact OD1-CA 3.32Å; N517-L519 PolarHBondContact OD1-N 2.81Å; N517-K520 HydrophobicContact CB-CB 3.93Å; N517-K520 WeakPolarHBondContact O-CB 3.36Å; N517-K520 PolarHBondContact O-N 3.28Å; N517-K520 VanDerWaalsContact O-N 3.08Å; N517-K520 PolarHBondContact OD1-N 3.26Å; N517-K520 VanDerWaalsContact OD1-N 3.11Å
518	P	85.3	Confident	85.1	Confident	27 Å²	27	48.7 Å²	48.7	18%	0.175	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	-31	-173.5	25.7	-34	0	0	0	113.4	V444 Y495 H513 K520 F534	V444-P518 HydrophobicContact CG1-CG 4.16Å; Y495-P518 HydrophobicContact CD1-CB 3.35Å; Y495-P518 HydrophobicContact CD1-CG 3.72Å; Y495-P518 HydrophobicContact CD2-CB 4.06Å; Y495-P518 HydrophobicContact CE1-CB 3.85Å; Y495-P518 HydrophobicContact CE1-CG 4.13Å; Y495-P518 HydrophobicContact CG-CB 3.47Å; Y495-P518 VanDerWaalsContact CG-CB 3.47Å; Y495-P518 HydrophobicContact CG-CG 4.3Å; H513-P518 PolarHBondContact ND1-O 3.17Å; P518-K520 PolarHBondContact O-N 2.64Å; P518-F534 VanDerWaalsContact O-CE2 3.26Å; P518-F534 WeakPolarHBondContact O-CE2 3.44Å
519	L	85.1	Confident	84.9	Confident	15 Å²	15	54.1 Å²	54.1	8%	0.079	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	3.4	176.3	-58.7	-178.9	0	0	0	113.1	V444 N517 C528 V531 F534	V444-L519 HydrophobicContact CG1-CD1 4.27Å; V444-L519 HydrophobicContact CG1-CG 4.43Å; V444-L519 HydrophobicContact CG2-CD1 4.34Å; N517-L519 VanDerWaalsContact C-N 3.34Å; N517-L519 PolarHBondContact O-N 3.28Å; N517-L519 WeakPolarHBondContact OD1-CA 3.32Å; N517-L519 PolarHBondContact OD1-N 2.81Å; L519-C528 HydrophobicContact CB-CB 4.48Å; L519-C528 VanDerWaalsContact O-CB 3.31Å; L519-C528 WeakPolarHBondContact O-CB 3.5Å; L519-C528 PolarHBondContact O-N 3.49Å; L519-C528 PolarHBondContact O-SG 2.71Å; L519-V531 HydrophobicContact CD2-CG2 4.05Å; L519-F534 HydrophobicContact CD2-CB 4.04Å
520	K	87.4	Confident	84.8	Confident	65 Å²	65	55.9 Å²	55.9	28%	0.283	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	120	173	-171.1	176.9	-166.5	136.1	0	110.6	C514 N517 P518 N522 A525 Q526 N527	C514-K520 HydrophobicContact CB-CB 4.05Å; C514-K520 HydrophobicContact CB-CD 4.49Å; C514-K520 HydrophobicContact CB-CG 4.39Å; C514-K520 WeakPolarHBondContact CB-O 3.38Å; C514-K520 PolarHBondContact N-O 3.44Å; C514-K520 PolarHBondContact SG-O 2.94Å; N517-K520 HydrophobicContact CB-CB 3.93Å; N517-K520 WeakPolarHBondContact O-CB 3.36Å; N517-K520 PolarHBondContact O-N 3.28Å; N517-K520 VanDerWaalsContact O-N 3.08Å; N517-K520 PolarHBondContact OD1-N 3.26Å; N517-K520 VanDerWaalsContact OD1-N 3.11Å; P518-K520 PolarHBondContact O-N 2.64Å; K520-N522 PolarHBondContact O-N 3.03Å; K520-A525 WeakPolarHBondContact CE-O 3.45Å; K520-Q526 CarbonylContact C-O 3.58Å; K520-Q526 WeakPolarHBondContact CA-O 3.38Å; K520-N527 VanDerWaalsContact CD-OD1 3.32Å; K520-N527 WeakPolarHBondContact CD-OD1 3.31Å; K520-N527 WeakPolarHBondContact CE-OD1 3.3Å; K520-N527 PolarHBondContact NZ-OD1 3.26Å
521	C	86.4	Confident	84.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	114.4	-179.3	175.9	0	0	0	0	111.7	M512 M523 C524 A525 Q526 F534 H537	M512-C521 WeakPolarHBondContact O-CA 3.41Å; C521-M523 PolarHBondContact O-N 2.82Å; C521-C524 PolarHBondContact O-N 2.85Å; C521-A525 VanDerWaalsContact O-CA 3.26Å; C521-A525 WeakPolarHBondContact O-CA 3.26Å; C521-A525 PolarHBondContact O-N 3.17Å; C521-Q526 PolarHBondContact N-O 2.99Å; C521-F534 HydrophobicContact CB-CE2 4.26Å; C521-H537 VanDerWaalsContact CB-CD2 3.46Å; C521-H537 WeakPolarHBondContact CB-CD2 3.34Å; C521-H537 VanDerWaalsContact CB-NE2 3.27Å; C521-H537 WeakPolarHBondContact CB-NE2 3.5Å; C521-H537 VanDerWaalsContact SG-CD2 3.58Å; C521-H537 PolarHBondContact SG-NE2 3.21Å
522	N	86.3	Confident	84.4	Confident	72 Å²	72	57.1 Å²	57.1	39%	0.385	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-26.5	179.3	-164.4	22	0	0	0	113.3	G511 M512 C514 K520	G511-N522 WeakPolarHBondContact O-CB 3.42Å; G511-N522 PolarHBondContact O-ND2 2.94Å; M512-N522 WeakPolarHBondContact O-CB 3.27Å; M512-N522 PolarHBondContact O-N 2.85Å; C514-N522 VanDerWaalsContact SG-CA 3.54Å; K520-N522 PolarHBondContact O-N 3.03Å
523	M	80.8	Confident	84.2	Confident	43 Å²	43	60.8 Å²	60.8	21%	0.212	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-19.6	-178	-61.4	-58.6	108.2	0	0	114	Y416 G511 C521	Y416-M523 HydrophobicContact CD1-SD 3.65Å; Y416-M523 HydrophobicContact CE1-CE 4.49Å; Y416-M523 HydrophobicContact CE1-SD 3.45Å; Y416-M523 WeakPolarHBondContact CE1-SD 3.37Å; Y416-M523 HydrophobicContact CE2-SD 4.38Å; Y416-M523 HydrophobicContact CG-SD 4.22Å; G511-M523 VanDerWaalsContact O-CE 3.31Å; G511-M523 WeakPolarHBondContact O-CE 3.3Å; C521-M523 PolarHBondContact O-N 2.82Å
524	C	85.3	Confident	84.2	Confident	30 Å²	30	60.2 Å²	60.2	20%	0.203	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140.6	-7.8	-176	75.8	0	0	0	0	115.4	C521 Q526 H537 F541	C521-C524 PolarHBondContact O-N 2.85Å; C524-Q526 VanDerWaalsContact C-N 3.26Å; C524-Q526 PolarHBondContact O-N 2.84Å; C524-Q526 WeakPolarHBondContact SG-CB 3.38Å; C524-Q526 PolarHBondContact SG-N 3.31Å; C524-H537 PolarHBondContact SG-CE1 2.74Å; C524-H537 PolarHBondContact SG-NE2 2.78Å; C524-F541 HydrophobicContact CB-CE1 4.26Å; C524-F541 HydrophobicContact CB-CZ 4.15Å
525	A	85	Confident	83.9	Confident	49 Å²	49	59.1 Å²	59.1	41%	0.405	32%	0.319	S	S	.	.			trans	62.6	17.6	-172.4	0	0	0	0	0	116	K520 C521	K520-A525 WeakPolarHBondContact CE-O 3.45Å; C521-A525 VanDerWaalsContact O-CA 3.26Å; C521-A525 WeakPolarHBondContact O-CA 3.26Å; C521-A525 PolarHBondContact O-N 3.17Å
526	Q	84.7	Confident	84	Confident	110 Å²	110	54.4 Å²	54.4	51%	0.514	30%	0.3	S	S	.	.			trans	-70.4	127.3	170.7	-176.6	62.3	44.7	0	0	110	K520 C521 C524 H537	K520-Q526 CarbonylContact C-O 3.58Å; K520-Q526 WeakPolarHBondContact CA-O 3.38Å; C521-Q526 PolarHBondContact N-O 2.99Å; C524-Q526 VanDerWaalsContact C-N 3.26Å; C524-Q526 PolarHBondContact O-N 2.84Å; C524-Q526 WeakPolarHBondContact SG-CB 3.38Å; C524-Q526 PolarHBondContact SG-N 3.31Å; Q526-H537 VanDerWaalsContact CB-CE1 3.42Å; Q526-H537 WeakPolarHBondContact CB-CE1 3.33Å
527	N	86.3	Confident	84.1	Confident	73 Å²	73	48.7 Å²	48.7	39%	0.39	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-81.4	133	164.1	-79.5	77.9	0	0	0	109.1	K520	K520-N527 VanDerWaalsContact CD-OD1 3.32Å; K520-N527 WeakPolarHBondContact CD-OD1 3.31Å; K520-N527 WeakPolarHBondContact CE-OD1 3.3Å; K520-N527 PolarHBondContact NZ-OD1 3.26Å
528	C	87	Confident	83.8	Confident	17 Å²	17	46.4 Å²	46.4	12%	0.115	26%	0.256	C	S	.	.			trans	-104.6	155.5	173.7	-51.4	0	0	0	0	108.9	L519 D533 F534	L519-C528 HydrophobicContact CB-CB 4.48Å; L519-C528 VanDerWaalsContact O-CB 3.31Å; L519-C528 WeakPolarHBondContact O-CB 3.5Å; L519-C528 PolarHBondContact O-N 3.49Å; L519-C528 PolarHBondContact O-SG 2.71Å; C528-D533 HydrophobicContact CB-CB 3.79Å; C528-F534 HydrophobicContact CB-CB 3.96Å
529	L	83.3	Confident	83.2	Confident	157 Å²	157	46.1 Å²	46.1	82%	0.822	25%	0.253	S	S	*	.	S	Bend	trans	-88.1	-35.4	-178.5	-58.8	177.7	0	0	0	112.2	D533	L529-D533 WeakPolarHBondContact CB-OD2 3.34Å; L529-D533 PolarHBondContact N-OD2 2.99Å
530	D	82.4	Confident	82.4	Confident	39 Å²	39	51.5 Å²	51.5	21%	0.209	28%	0.277	C	S	.	.	S	Bend	trans	-127.9	164.3	-177.1	-161.5	-9.6	0	0	0	111.5	S441 Y532 D533 F534	S441-D530 VanDerWaalsContact CB-CG 3.44Å; S441-D530 WeakPolarHBondContact CB-OD1 3.41Å; S441-D530 WeakPolarHBondContact CB-OD2 3.49Å; D530-Y532 VanDerWaalsContact C-N 3.28Å; D530-Y532 PolarHBondContact O-N 3.27Å; D530-Y532 WeakPolarHBondContact OD2-CD2 3.33Å; D530-D533 WeakPolarHBondContact O-CB 3.4Å; D530-D533 PolarHBondContact O-N 3.33Å; D530-F534 PolarHBondContact O-N 2.69Å
531	V	84.1	Confident	80.7	Confident	16 Å²	16	50.2 Å²	50.2	10%	0.097	27%	0.272	C	S	.	.	H	α-helix	trans	-56.9	-41.8	167.8	173.9	0	0	0	0	110.5	C496 L519 F534 I535	C496-V531 HydrophobicContact CB-CG1 4.04Å; L519-V531 HydrophobicContact CD2-CG2 4.05Å; V531-F534 PolarHBondContact O-N 3.11Å; V531-I535 HydrophobicContact CG1-CD1 3.76Å; V531-I535 HydrophobicContact CG1-CG1 4.39Å; V531-I535 WeakPolarHBondContact O-CB 3.42Å; V531-I535 VanDerWaalsContact O-CG1 3.24Å; V531-I535 WeakPolarHBondContact O-CG1 3.45Å; V531-I535 PolarHBondContact O-N 3.4Å
532	Y	80.7	Confident	80.4	Confident	86 Å²	86	52.8 Å²	52.8	34%	0.337	29%	0.285	S	S	.	.	H	α-helix	trans	-64.4	-40.1	176	-61.4	-68.4	0	0	0	112.5	L432 I437 D530 I535 G536	L432-Y532 HydrophobicContact CD1-CD1 4.07Å; L432-Y532 HydrophobicContact CD1-CE1 4.2Å; I437-Y532 HydrophobicContact CB-CE1 4.3Å; I437-Y532 PolarHBondContact O-OH 2.85Å; D530-Y532 VanDerWaalsContact C-N 3.28Å; D530-Y532 PolarHBondContact O-N 3.27Å; D530-Y532 WeakPolarHBondContact OD2-CD2 3.33Å; Y532-I535 PolarHBondContact O-N 2.83Å; Y532-G536 PolarHBondContact O-N 3.05Å
533	D	82.9	Confident	80.1	Confident	84 Å²	84	51.7 Å²	51.7	45%	0.449	28%	0.28	S	S	.	.	H	α-helix	trans	-61.8	-45.7	172.8	-79.9	-14.1	0	0	0	110.7	C528 L529 D530 I535 G536 H537	C528-D533 HydrophobicContact CB-CB 3.79Å; L529-D533 WeakPolarHBondContact CB-OD2 3.34Å; L529-D533 PolarHBondContact N-OD2 2.99Å; D530-D533 WeakPolarHBondContact O-CB 3.4Å; D530-D533 PolarHBondContact O-N 3.33Å; D533-I535 VanDerWaalsContact C-N 3.34Å; D533-I535 PolarHBondContact O-N 3.23Å; D533-G536 PolarHBondContact O-N 3.4Å; D533-H537 WeakPolarHBondContact O-CA 3.31Å; D533-H537 WeakPolarHBondContact O-CB 3.24Å; D533-H537 PolarHBondContact O-N 2.89Å
534	F	85.8	Confident	80.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.6	-39.2	179.2	-179.3	-93.6	0	0	0	112.1	M512 H513 P518 L519 C521 C528 D530 V531 T538	M512-F534 HydrophobicContact CB-CZ 4.31Å; H513-F534 AromaticContact CE1-CD1 3.92Å; H513-F534 AromaticContact CE1-CE1 3.2Å; H513-F534 WeakPolarHBondContact CE1-CE1 3.2Å; H513-F534 AromaticContact CE1-CZ 3.55Å; H513-F534 AromaticContact CG-CZ 3.89Å; H513-F534 AromaticContact ND1-CE1 3.56Å; H513-F534 AromaticContact ND1-CZ 3.37Å; H513-F534 WeakPolarHBondContact ND1-CZ 3.29Å; H513-F534 AromaticContact NE2-CE1 3.69Å; P518-F534 VanDerWaalsContact O-CE2 3.26Å; P518-F534 WeakPolarHBondContact O-CE2 3.44Å; L519-F534 HydrophobicContact CD2-CB 4.04Å; C521-F534 HydrophobicContact CB-CE2 4.26Å; C528-F534 HydrophobicContact CB-CB 3.96Å; D530-F534 PolarHBondContact O-N 2.69Å; V531-F534 PolarHBondContact O-N 3.11Å; F534-T538 HydrophobicContact CD1-CG2 4.12Å; F534-T538 HydrophobicContact CD2-CG2 4.39Å; F534-T538 HydrophobicContact CE1-CG2 3.68Å; F534-T538 HydrophobicContact CE2-CG2 4Å; F534-T538 HydrophobicContact CG-CG2 4.47Å; F534-T538 HydrophobicContact CZ-CG2 3.62Å; F534-T538 WeakPolarHBondContact O-CB 3.02Å; F534-T538 WeakPolarHBondContact O-CG2 3.25Å; F534-T538 PolarHBondContact O-N 2.82Å; F534-T538 PolarHBondContact O-OG1 3.31Å
535	I	81	Confident	79.8	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-64.3	-58.5	173.1	-69.1	168.6	0	0	0	109.4	V428 L432 I437 C496 I498 V531 Y532 D533 H537 T538 M539	V428-I535 HydrophobicContact CG1-CG2 3.71Å; L432-I535 HydrophobicContact CD1-CD1 4.48Å; L432-I535 HydrophobicContact CD2-CG2 4.05Å; I437-I535 HydrophobicContact CD1-CD1 3.63Å; C496-I535 HydrophobicContact CB-CD1 4.45Å; I498-I535 HydrophobicContact CD1-CD1 3.87Å; I498-I535 HydrophobicContact CD1-CG1 3.99Å; I498-I535 HydrophobicContact CG1-CD1 4.36Å; V531-I535 HydrophobicContact CG1-CD1 3.76Å; V531-I535 HydrophobicContact CG1-CG1 4.39Å; V531-I535 WeakPolarHBondContact O-CB 3.42Å; V531-I535 VanDerWaalsContact O-CG1 3.24Å; V531-I535 WeakPolarHBondContact O-CG1 3.45Å; V531-I535 PolarHBondContact O-N 3.4Å; Y532-I535 PolarHBondContact O-N 2.83Å; D533-I535 VanDerWaalsContact C-N 3.34Å; D533-I535 PolarHBondContact O-N 3.23Å; I535-H537 PolarHBondContact O-N 3.13Å; I535-H537 VanDerWaalsContact O-N 3.12Å; I535-T538 PolarHBondContact O-N 3.14Å; I535-T538 PolarHBondContact O-OG1 2.94Å; I535-M539 HydrophobicContact CG2-CG 4.02Å; I535-M539 WeakPolarHBondContact O-CB 3.4Å; I535-M539 WeakPolarHBondContact O-CG 3.37Å; I535-M539 PolarHBondContact O-N 2.88Å
536	G	80.3	Confident	79.5	Confident	47 Å²	47	53.8 Å²	53.8	49%	0.485	28%	0.281	S	S	.	.	H	α-helix	trans	-55.2	-35	178.8	0	0	0	0	0	113.4	Y532 D533	Y532-G536 PolarHBondContact O-N 3.05Å; D533-G536 PolarHBondContact O-N 3.4Å
537	H	82.5	Confident	79.1	Confident	35 Å²	35	50.1 Å²	50.1	16%	0.162	27%	0.266	C	S	.	.	H	α-helix	trans	-65.3	-61.1	172.8	178.6	93.9	0	0	0	112.3	C521 C524 Q526 D533 I535 M539 H540 F541	C521-H537 VanDerWaalsContact CB-CD2 3.46Å; C521-H537 WeakPolarHBondContact CB-CD2 3.34Å; C521-H537 VanDerWaalsContact CB-NE2 3.27Å; C521-H537 WeakPolarHBondContact CB-NE2 3.5Å; C521-H537 VanDerWaalsContact SG-CD2 3.58Å; C521-H537 PolarHBondContact SG-NE2 3.21Å; C524-H537 PolarHBondContact SG-CE1 2.74Å; C524-H537 PolarHBondContact SG-NE2 2.78Å; Q526-H537 VanDerWaalsContact CB-CE1 3.42Å; Q526-H537 WeakPolarHBondContact CB-CE1 3.33Å; D533-H537 WeakPolarHBondContact O-CA 3.31Å; D533-H537 WeakPolarHBondContact O-CB 3.24Å; D533-H537 PolarHBondContact O-N 2.89Å; I535-H537 PolarHBondContact O-N 3.13Å; I535-H537 VanDerWaalsContact O-N 3.12Å; H537-M539 PolarHBondContact O-N 3.02Å; H537-H540 WeakPolarHBondContact O-CB 3.34Å; H537-H540 PolarHBondContact O-N 2.89Å; H537-F541 AromaticContact CD2-CE2 3.93Å; H537-F541 AromaticContact CE1-CE2 3.41Å; H537-F541 VanDerWaalsContact CE1-CE2 3.41Å; H537-F541 WeakPolarHBondContact CE1-CE2 3.27Å; H537-F541 AromaticContact NE2-CD2 3.85Å; H537-F541 AromaticContact NE2-CE2 3.3Å; H537-F541 VanDerWaalsContact NE2-CE2 3.3Å; H537-F541 WeakPolarHBondContact NE2-CE2 3.41Å; H537-F541 VanDerWaalsContact O-CD2 3.29Å; H537-F541 WeakPolarHBondContact O-CD2 3.43Å
538	T	78.3	Confident	78.6	Confident	9 Å²	9	48.4 Å²	48.4	6%	0.055	26%	0.257	C	S	.	.	H	α-helix	trans	-57.8	-32.6	-178	48.1	0	0	0	0	111.7	M512 F534 I535 H540 F541	M512-T538 HydrophobicContact CB-CG2 3.91Å; M512-T538 HydrophobicContact CE-CG2 3.82Å; M512-T538 HydrophobicContact SD-CG2 3.94Å; F534-T538 HydrophobicContact CD1-CG2 4.12Å; F534-T538 HydrophobicContact CD2-CG2 4.39Å; F534-T538 HydrophobicContact CE1-CG2 3.68Å; F534-T538 HydrophobicContact CE2-CG2 4Å; F534-T538 HydrophobicContact CG-CG2 4.47Å; F534-T538 HydrophobicContact CZ-CG2 3.62Å; F534-T538 WeakPolarHBondContact O-CB 3.02Å; F534-T538 WeakPolarHBondContact O-CG2 3.25Å; F534-T538 PolarHBondContact O-N 2.82Å; F534-T538 PolarHBondContact O-OG1 3.31Å; I535-T538 PolarHBondContact O-N 3.14Å; I535-T538 PolarHBondContact O-OG1 2.94Å; T538-H540 VanDerWaalsContact C-N 3.27Å; T538-H540 PolarHBondContact O-N 3.03Å; T538-F541 PolarHBondContact O-N 3.45Å
539	M	71.4	Confident	77.9	Confident	20 Å²	20	50.8 Å²	50.8	10%	0.099	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-16.1	176	-71.5	-73.5	-72.2	0	0	115.5	R425 V428 N429 I535 H537	R425-M539 HydrophobicContact CB-SD 4.27Å; R425-M539 VanDerWaalsContact CD-O 3.32Å; R425-M539 WeakPolarHBondContact CD-O 3.34Å; R425-M539 HydrophobicContact CG-CE 3.83Å; R425-M539 WeakPolarHBondContact CG-O 3.38Å; R425-M539 HydrophobicContact CG-SD 3.91Å; R425-M539 PolarHBondContact NE-O 3.32Å; R425-M539 PolarHBondContact NH1-O 3.18Å; R425-M539 PolarHBondContact NH2-O 2.84Å; R425-M539 WeakPolarHBondContact O-CE 3.28Å; R425-M539 VanDerWaalsContact O-SD 3.42Å; V428-M539 HydrophobicContact CB-CE 4.45Å; V428-M539 HydrophobicContact CB-SD 3.52Å; V428-M539 VanDerWaalsContact CB-SD 3.52Å; V428-M539 HydrophobicContact CG1-CE 4.42Å; V428-M539 HydrophobicContact CG1-CG 3.97Å; V428-M539 HydrophobicContact CG1-SD 3.52Å; V428-M539 VanDerWaalsContact CG1-SD 3.52Å; N429-M539 HydrophobicContact CB-CE 3.66Å; N429-M539 WeakPolarHBondContact OD1-CE 3.4Å; I535-M539 HydrophobicContact CG2-CG 4.02Å; I535-M539 WeakPolarHBondContact O-CB 3.4Å; I535-M539 WeakPolarHBondContact O-CG 3.37Å; I535-M539 PolarHBondContact O-N 2.88Å; H537-M539 PolarHBondContact O-N 3.02Å
540	H	67.9	Low	77.5	Confident	128 Å²	128	42 Å²	42	59%	0.593	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-17.8	178.6	-168.4	-102.6	0	0	0	113.4	R425 H537 T538	R425-H540 PolarHBondContact NH2-O 3.28Å; H537-H540 WeakPolarHBondContact O-CB 3.34Å; H537-H540 PolarHBondContact O-N 2.89Å; T538-H540 VanDerWaalsContact C-N 3.27Å; T538-H540 PolarHBondContact O-N 3.03Å
541	F	52.6	Low	77.1	Confident	39 Å²	39	42.3 Å²	42.3	17%	0.171	22%	0.223	C	C	.	.			trans	-87	0	-178.4	-71.8	-89.9	0	0	0	114.5	K417 R425 C524 H537 T538	K417-F541 WeakPolarHBondContact CG-O 3.39Å; R425-F541 PolarHBondContact NH2-OXT 3.12Å; C524-F541 HydrophobicContact CB-CE1 4.26Å; C524-F541 HydrophobicContact CB-CZ 4.15Å; H537-F541 AromaticContact CD2-CE2 3.93Å; H537-F541 AromaticContact CE1-CE2 3.41Å; H537-F541 VanDerWaalsContact CE1-CE2 3.41Å; H537-F541 WeakPolarHBondContact CE1-CE2 3.27Å; H537-F541 AromaticContact NE2-CD2 3.85Å; H537-F541 AromaticContact NE2-CE2 3.3Å; H537-F541 VanDerWaalsContact NE2-CE2 3.3Å; H537-F541 WeakPolarHBondContact NE2-CE2 3.41Å; H537-F541 VanDerWaalsContact O-CD2 3.29Å; H537-F541 WeakPolarHBondContact O-CD2 3.43Å; T538-F541 PolarHBondContact O-N 3.45Å

Retrieved 541 of 541 residues in 294.1 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).