A0A3Q0KCC5_SCHMA Loading...

Putative transcription factor LCR-F1

AlphaFold DB , UniProt , Accession A0A3Q0KCC5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 584 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	32.8	Very low	33.2	Very low	241 Å²	241	108.2 Å²	108.2	100%	1.187	58%	0.575	S	S	*	*				0	134.5	0	-74.1	178.7	160.1	0	0	107.4	N3	M1-N3 PolarHBondContact O-N 3.45Å
2	G	33.4	Very low	33.6	Very low	63 Å²	63	109.5 Å²	109.5	65%	0.649	60%	0.599	S	S	*	*			trans	-78	119.9	-170.6	0	0	0	0	0	112.3	H4	G2-H4 PolarHBondContact O-N 3.17Å; G2-H4 VanDerWaalsContact O-N 3.16Å
3	N	28.9	Very low	33.8	Very low	165 Å²	165	113.6 Å²	113.6	88%	0.882	62%	0.62	S	S	*	*			trans	-71.5	106.2	167.5	-76.9	-8.1	0	0	0	108.5	M1 G5	M1-N3 PolarHBondContact O-N 3.45Å; N3-G5 PolarHBondContact O-N 3.32Å
4	H	30.1	Very low	33.9	Very low	159 Å²	159	107.9 Å²	107.9	74%	0.736	60%	0.601	S	S	*	*			trans	-73.7	78	174.8	-69.6	-77.4	0	0	0	110.7	G2	G2-H4 PolarHBondContact O-N 3.17Å; G2-H4 VanDerWaalsContact O-N 3.16Å
5	G	31	Very low	34.4	Very low	34 Å²	34	111.1 Å²	111.1	35%	0.351	60%	0.601	S	S	.	*			trans	-71.2	132.3	165.3	0	0	0	0	0	110.8	N3	N3-G5 PolarHBondContact O-N 3.32Å
6	I	30.4	Very low	34.5	Very low	80 Å²	80	111.2 Å²	111.2	41%	0.41	60%	0.595	S	S	.	*			trans	-89.9	123	164.3	-62.6	174.2	0	0	0	106.4	F8 K17	I6-F8 HydrophobicContact CG2-CD2 4.38Å; I6-F8 HydrophobicContact CG2-CE1 4.47Å; I6-F8 HydrophobicContact CG2-CE2 3.82Å; I6-F8 HydrophobicContact CG2-CZ 3.88Å; I6-K17 HydrophobicContact CG2-CG 4.08Å
7	F	33.6	Very low	34.6	Very low	72 Å²	72	112.2 Å²	112.2	32%	0.316	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.8	133.5	175.9	-61.7	-88.8	0	0	0	109.3	V18 I21 V58	F7-V18 PolarHBondContact N-O 3.37Å; F7-V18 PolarHBondContact O-N 2.88Å; F7-I21 HydrophobicContact CB-CD1 4.24Å; F7-I21 HydrophobicContact CD2-CD1 3.56Å; F7-I21 HydrophobicContact CD2-CG1 4.09Å; F7-I21 HydrophobicContact CE2-CD1 4.03Å; F7-I21 HydrophobicContact CE2-CG1 4.49Å; F7-I21 HydrophobicContact CG-CD1 3.89Å; F7-V58 HydrophobicContact CD1-CG1 4.5Å; F7-V58 HydrophobicContact CE1-CG1 4.44Å
8	F	35	Very low	34.7	Very low	98 Å²	98	108.7 Å²	108.7	43%	0.43	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.4	117.4	170.8	-64.7	-82.7	0	0	0	107.7	I6 F10 Y15 K17	I6-F8 HydrophobicContact CG2-CD2 4.38Å; I6-F8 HydrophobicContact CG2-CE1 4.47Å; I6-F8 HydrophobicContact CG2-CE2 3.82Å; I6-F8 HydrophobicContact CG2-CZ 3.88Å; F8-F10 HydrophobicContact CB-CE2 4.08Å; F8-Y15 HydrophobicContact CD1-CD2 4.42Å; F8-K17 HydrophobicContact CE1-CB 4.33Å; F8-K17 HydrophobicContact CE1-CD 4.46Å; F8-K17 HydrophobicContact CE1-CG 4.17Å
9	V	36.1	Very low	34.5	Very low	41 Å²	41	110.9 Å²	110.9	25%	0.248	58%	0.58	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.6	116.6	171.8	-177.6	0	0	0	0	106.9	L11 Y15 F16 V18	V9-L11 HydrophobicContact CG1-CG 4.47Å; V9-Y15 WeakPolarHBondContact O-CA 3.27Å; V9-F16 PolarHBondContact N-O 3.16Å; V9-F16 PolarHBondContact O-N 3.14Å; V9-F16 VanDerWaalsContact O-N 3.16Å; V9-V18 HydrophobicContact CG2-CG2 4.18Å
10	F	37.7	Very low	34.3	Very low	154 Å²	154	111 Å²	111	68%	0.675	58%	0.581	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.2	117.3	172.6	-68.4	-88.8	0	0	0	109	F8	F8-F10 HydrophobicContact CB-CE2 4.08Å
11	L	36.5	Very low	34.2	Very low	83 Å²	83	109.5 Å²	109.5	44%	0.435	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.5	157	165.2	-68	164.7	0	0	0	107.8	V9 N13 G14 F16	V9-L11 HydrophobicContact CG1-CG 4.47Å; L11-N13 PolarHBondContact O-N 2.77Å; L11-G14 PolarHBondContact N-O 3.47Å; L11-G14 PolarHBondContact O-N 2.95Å; L11-F16 HydrophobicContact CD1-CD2 3.97Å; L11-F16 HydrophobicContact CD1-CE2 3.85Å
12	S	37.5	Very low	34	Very low	124 Å²	124	104.3 Å²	104.3	87%	0.867	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-14.5	-177.7	49.9	0	0	0	0	114.9
13	N	36.3	Very low	34	Very low	163 Å²	163	111.3 Å²	111.3	87%	0.872	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.2	8.1	179.5	-66.9	-16.6	0	0	0	114.2	L11	L11-N13 PolarHBondContact O-N 2.77Å
14	G	35.1	Very low	33.9	Very low	34 Å²	34	106.6 Å²	106.6	35%	0.351	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	156.4	174	178.8	0	0	0	0	0	114.8	L11	L11-G14 PolarHBondContact N-O 3.47Å; L11-G14 PolarHBondContact O-N 2.95Å
15	Y	42.3	Very low	33.7	Very low	155 Å²	155	106.1 Å²	106.1	61%	0.608	56%	0.564	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-117.9	137.2	177.2	60.5	-94.4	0	0	0	112.6	F8 V9	F8-Y15 HydrophobicContact CD1-CD2 4.42Å; V9-Y15 WeakPolarHBondContact O-CA 3.27Å
16	F	35.2	Very low	33.8	Very low	113 Å²	113	107.5 Å²	107.5	50%	0.496	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.4	133.3	173.8	-69.8	-88.9	0	0	0	110.9	V9 L11 V18	V9-F16 PolarHBondContact N-O 3.16Å; V9-F16 PolarHBondContact O-N 3.14Å; V9-F16 VanDerWaalsContact O-N 3.16Å; L11-F16 HydrophobicContact CD1-CD2 3.97Å; L11-F16 HydrophobicContact CD1-CE2 3.85Å; F16-V18 PolarHBondContact O-N 3.34Å
17	K	36.3	Very low	33.6	Very low	129 Å²	129	112.8 Å²	112.8	56%	0.561	61%	0.607	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88	94.3	175.2	-175.8	174.8	-173	164.2	0	110.2	I6 F8 K19	I6-K17 HydrophobicContact CG2-CG 4.08Å; F8-K17 HydrophobicContact CE1-CB 4.33Å; F8-K17 HydrophobicContact CE1-CD 4.46Å; F8-K17 HydrophobicContact CE1-CG 4.17Å; K17-K19 PolarHBondContact O-N 3.15Å
18	V	36.4	Very low	33.4	Very low	49 Å²	49	116.2 Å²	116.2	30%	0.297	63%	0.626	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.9	107	177.4	-172.3	0	0	0	0	109.4	F7 V9 F16 I21	F7-V18 PolarHBondContact N-O 3.37Å; F7-V18 PolarHBondContact O-N 2.88Å; V9-V18 HydrophobicContact CG2-CG2 4.18Å; F16-V18 PolarHBondContact O-N 3.34Å; V18-I21 HydrophobicContact CG1-CD1 4.44Å; V18-I21 HydrophobicContact CG1-CG1 3.85Å
19	K	31.8	Very low	33.1	Very low	150 Å²	150	114.9 Å²	114.9	65%	0.652	63%	0.629	S	S	*	*			trans	-91.3	132	163.2	-88.8	-175	169.7	-177.2	0	109	K17	K17-K19 PolarHBondContact O-N 3.15Å
20	N	30.3	Very low	32.8	Very low	112 Å²	112	119.1 Å²	119.1	60%	0.599	64%	0.644	S	S	*	*			trans	66.5	88.7	179.1	-55.2	-34.1	0	0	0	115.1
21	I	32.7	Very low	32.6	Very low	81 Å²	81	117.9 Å²	117.9	42%	0.415	64%	0.644	S	S	.	*			trans	-88.9	114.5	157.4	-59.1	-179.9	0	0	0	107.7	F7 V18	F7-I21 HydrophobicContact CB-CD1 4.24Å; F7-I21 HydrophobicContact CD2-CD1 3.56Å; F7-I21 HydrophobicContact CD2-CG1 4.09Å; F7-I21 HydrophobicContact CE2-CD1 4.03Å; F7-I21 HydrophobicContact CE2-CG1 4.49Å; F7-I21 HydrophobicContact CG-CD1 3.89Å; V18-I21 HydrophobicContact CG1-CD1 4.44Å; V18-I21 HydrophobicContact CG1-CG1 3.85Å
22	V	28.4	Very low	32.6	Very low	132 Å²	132	119.5 Å²	119.5	80%	0.8	65%	0.65	S	S	*	*			trans	-91.3	109.2	171.9	179.7	0	0	0	0	108.4	G24	V22-G24 PolarHBondContact O-N 3.05Å
23	W	31.9	Very low	32.4	Very low	210 Å²	210	117.7 Å²	117.7	80%	0.795	63%	0.63	S	S	*	*			trans	-75.9	107.8	174.3	-74.4	83.5	0	0	0	110.1
24	G	27.6	Very low	32.2	Very low	65 Å²	65	115.8 Å²	115.8	67%	0.67	62%	0.619	S	S	*	*			trans	-64.2	144.3	168.4	0	0	0	0	0	111.2	V22 G26	V22-G24 PolarHBondContact O-N 3.05Å; G24-G26 PolarHBondContact O-N 2.81Å; G24-G26 VanDerWaalsContact O-N 3.11Å
25	C	26.6	Very low	32.1	Very low	149 Å²	149	116.4 Å²	116.4	100%	1.007	61%	0.614	S	S	*	*	S	Bend	trans	-63.9	110.8	-174.4	-72.8	0	0	0	0	112.7
26	G	32.1	Very low	31.8	Very low	63 Å²	63	113.9 Å²	113.9	65%	0.649	62%	0.617	S	S	*	*			trans	-176.9	118.9	171	0	0	0	0	0	111	G24 M28	G24-G26 PolarHBondContact O-N 2.81Å; G24-G26 VanDerWaalsContact O-N 3.11Å; G26-M28 PolarHBondContact O-N 3.43Å
27	L	27.1	Very low	32	Very low	191 Å²	191	118.9 Å²	118.9	100%	1	63%	0.634	S	S	*	*			trans	-69.4	87	-179.7	-79.4	150.8	0	0	0	111.3
28	M	27.6	Very low	32.2	Very low	145 Å²	145	120 Å²	120	71%	0.714	64%	0.639	S	S	*	*			trans	-97.6	126.1	157.8	-70.6	-157.8	77.6	0	0	109.7	G26 Q32	G26-M28 PolarHBondContact O-N 3.43Å; M28-Q32 VanDerWaalsContact CE-OE1 3.25Å
29	S	30.5	Very low	32.1	Very low	70 Å²	70	123.5 Å²	123.5	49%	0.49	65%	0.652	S	S	.	*			trans	-77.2	131.6	176.9	51.3	0	0	0	0	110.7	N31 Q32	S29-N31 PolarHBondContact O-N 3.13Å; S29-Q32 PolarHBondContact O-N 3.31Å
30	F	29.9	Very low	32.3	Very low	130 Å²	130	125.9 Å²	125.9	57%	0.57	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-47.5	-37	-176.6	-169.6	-103.7	0	0	0	113.7	Q32 L33 L34	F30-Q32 PolarHBondContact O-N 3.03Å; F30-Q32 VanDerWaalsContact O-N 3.13Å; F30-L33 PolarHBondContact O-N 3.45Å; F30-L33 VanDerWaalsContact O-N 3.13Å; F30-L34 HydrophobicContact CD1-CD1 4.33Å; F30-L34 HydrophobicContact CE1-CD1 4.2Å
31	N	32.5	Very low	32.2	Very low	128 Å²	128	123.4 Å²	123.4	68%	0.684	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-62.5	-18.8	180	-62.2	-8.4	0	0	0	114.6	S29 L33	S29-N31 PolarHBondContact O-N 3.13Å; N31-L33 VanDerWaalsContact C-N 3.26Å; N31-L33 PolarHBondContact O-N 3.28Å
32	Q	37.6	Very low	32.2	Very low	117 Å²	117	125.9 Å²	125.9	55%	0.547	68%	0.677	S	S	.	*	G	3₁₀ helix	trans	-74.3	-14.9	176.4	-69.8	-174.2	-0.1	0	0	113.4	M28 S29 F30	M28-Q32 VanDerWaalsContact CE-OE1 3.25Å; S29-Q32 PolarHBondContact O-N 3.31Å; F30-Q32 PolarHBondContact O-N 3.03Å; F30-Q32 VanDerWaalsContact O-N 3.13Å
33	L	31.6	Very low	32.1	Very low	86 Å²	86	127.3 Å²	127.3	45%	0.45	68%	0.68	S	S	.	*	G	3₁₀ helix	trans	-82.3	-18.5	176.9	-133.5	84.9	0	0	0	113.2	F30 N31 Q39	F30-L33 PolarHBondContact O-N 3.45Å; F30-L33 VanDerWaalsContact O-N 3.13Å; N31-L33 VanDerWaalsContact C-N 3.26Å; N31-L33 PolarHBondContact O-N 3.28Å; L33-Q39 PolarHBondContact O-NE2 2.73Å
34	L	32.4	Very low	32	Very low	123 Å²	123	125.1 Å²	125.1	64%	0.644	68%	0.676	S	S	*	*	S	Bend	trans	-97.3	0.9	-167.4	-77.2	163.7	0	0	0	115	F30 P36	F30-L34 HydrophobicContact CD1-CD1 4.33Å; F30-L34 HydrophobicContact CE1-CD1 4.2Å; L34-P36 VanDerWaalsContact O-CD 3.24Å; L34-P36 WeakPolarHBondContact O-CD 3.45Å
35	D	34.3	Very low	31.9	Very low	46 Å²	46	126.1 Å²	126.1	25%	0.246	69%	0.687	C	S	.	*			trans	-92.3	103.8	177.5	-173.8	-17.1	0	0	0	110.1	Y37 K38 Q39	D35-Y37 PolarHBondContact O-N 3.1Å; D35-Y37 PolarHBondContact OD1-N 2.88Å; D35-Y37 VanDerWaalsContact OD1-N 3.11Å; D35-K38 HydrophobicContact CB-CB 4.08Å; D35-K38 PolarHBondContact O-N 3.38Å; D35-K38 WeakPolarHBondContact OD2-CD 3.37Å; D35-K38 VanDerWaalsContact OD2-CG 3.3Å; D35-K38 WeakPolarHBondContact OD2-CG 3.3Å; D35-K38 IonicContact OD2-NZ 3.44Å; D35-K38 PolarHBondContact OD2-NZ 3.27Å; D35-Q39 PolarHBondContact O-N 3.38Å
36	P	35.7	Very low	32.1	Very low	103 Å²	103	125.4 Å²	125.4	67%	0.669	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-10.4	-175.3	27.4	-35.2	0	0	0	113.5	L34	L34-P36 VanDerWaalsContact O-CD 3.24Å; L34-P36 WeakPolarHBondContact O-CD 3.45Å
37	Y	37.8	Very low	32	Very low	218 Å²	218	129 Å²	129	86%	0.855	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	4	175.9	-64.6	-80	0	0	0	113.7	D35	D35-Y37 PolarHBondContact O-N 3.1Å; D35-Y37 PolarHBondContact OD1-N 2.88Å; D35-Y37 VanDerWaalsContact OD1-N 3.11Å
38	K	41.2	Very low	32	Very low	153 Å²	153	126 Å²	126	67%	0.665	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.1	8.6	-179.4	-66.4	-161.8	-165.4	91.6	0	116.5	D35 K40	D35-K38 HydrophobicContact CB-CB 4.08Å; D35-K38 PolarHBondContact O-N 3.38Å; D35-K38 WeakPolarHBondContact OD2-CD 3.37Å; D35-K38 VanDerWaalsContact OD2-CG 3.3Å; D35-K38 WeakPolarHBondContact OD2-CG 3.3Å; D35-K38 IonicContact OD2-NZ 3.44Å; D35-K38 PolarHBondContact OD2-NZ 3.27Å; K38-K40 PolarHBondContact O-N 2.85Å
39	Q	34	Very low	32.2	Very low	122 Å²	122	124.4 Å²	124.4	57%	0.57	68%	0.68	S	S	*	*			trans	-64.1	97.3	178.3	-73.2	-173.9	-7.2	0	0	111.9	L33 D35 G41	L33-Q39 PolarHBondContact O-NE2 2.73Å; D35-Q39 PolarHBondContact O-N 3.38Å; Q39-G41 PolarHBondContact O-N 3.11Å
40	K	35.9	Very low	32.2	Very low	199 Å²	199	128.6 Å²	128.6	87%	0.865	69%	0.693	S	S	*	*			trans	-66.3	125.4	163.9	-72.8	-179.5	174.7	180	0	108.2	K38 L42	K38-K40 PolarHBondContact O-N 2.85Å; K40-L42 PolarHBondContact O-N 2.85Å
41	G	28.4	Very low	32	Very low	61 Å²	61	131.9 Å²	131.9	63%	0.629	71%	0.711	S	S	*	*			trans	-54.9	127.4	180	0	0	0	0	0	112.6	Q39 N43	Q39-G41 PolarHBondContact O-N 3.11Å; G41-N43 PolarHBondContact O-N 2.66Å; G41-N43 VanDerWaalsContact O-N 3.13Å
42	L	32.8	Very low	31.8	Very low	133 Å²	133	131.4 Å²	131.4	70%	0.696	71%	0.707	S	S	*	*			trans	-74.3	95.8	168.9	-95.7	160.6	0	0	0	108.7	K40 F44	K40-L42 PolarHBondContact O-N 2.85Å; L42-F44 HydrophobicContact CB-CE2 4.49Å; L42-F44 PolarHBondContact O-N 3.44Å
43	N	26.8	Very low	31.3	Very low	161 Å²	161	133.4 Å²	133.4	86%	0.861	72%	0.722	S	S	*	*			trans	-68.5	97.4	172.9	-73.3	-36.8	0	0	0	110.2	G41	G41-N43 PolarHBondContact O-N 2.66Å; G41-N43 VanDerWaalsContact O-N 3.13Å
44	F	30	Very low	31.1	Very low	165 Å²	165	133.8 Å²	133.8	72%	0.724	72%	0.723	S	S	*	*			trans	-78	122.1	155.7	-75.9	-82.3	0	0	0	108.2	L42 V46	L42-F44 HydrophobicContact CB-CE2 4.49Å; L42-F44 PolarHBondContact O-N 3.44Å; F44-V46 PolarHBondContact O-N 3.07Å
45	G	24.9	Very low	30.9	Very low	86 Å²	86	131.6 Å²	131.6	89%	0.887	72%	0.718	S	S	*	*			trans	-69.5	95.1	-177.2	0	0	0	0	0	112.2
46	V	31.1	Very low	30.7	Very low	133 Å²	133	132.7 Å²	132.7	81%	0.806	73%	0.726	S	S	*	*			trans	-136.2	140.8	165.5	-166.8	0	0	0	0	106.8	F44 S48	F44-V46 PolarHBondContact O-N 3.07Å; V46-S48 PolarHBondContact O-N 2.68Å; V46-S48 VanDerWaalsContact O-N 3.07Å
47	D	29.5	Very low	30.5	Very low	138 Å²	138	135.8 Å²	135.8	74%	0.738	73%	0.729	S	S	*	*			trans	-54.2	108.4	-160.6	-82.5	-58.7	0	0	0	116.7	S49	D47-S49 PolarHBondContact O-N 3.44Å; D47-S49 PolarHBondContact O-OG 3.35Å
48	S	28.4	Very low	30.2	Very low	128 Å²	128	128.5 Å²	128.5	90%	0.895	71%	0.707	S	S	*	*	S	Bend	trans	37	14	142.6	-51.7	0	0	0	0	121.7	V46	V46-S48 PolarHBondContact O-N 2.68Å; V46-S48 VanDerWaalsContact O-N 3.07Å
49	S	31.5	Very low	29.8	Very low	112 Å²	112	126.8 Å²	126.8	78%	0.783	71%	0.705	S	S	*	*	S	Bend	trans	-136.2	-11.5	-171.5	60.6	0	0	0	0	115.7	D47	D47-S49 PolarHBondContact O-N 3.44Å; D47-S49 PolarHBondContact O-OG 3.35Å
50	M	29.7	Very low	29.5	Very low	158 Å²	158	129.9 Å²	129.9	78%	0.778	72%	0.717	S	S	*	*			trans	-128.6	105.5	174.3	-79.2	-166.5	160.5	0	0	112.4	I52	M50-I52 HydrophobicContact CB-CG1 4.25Å; M50-I52 PolarHBondContact O-N 2.87Å
51	Q	25.9	Very low	29.2	Very low	199 Å²	199	128.1 Å²	128.1	93%	0.93	71%	0.711	S	S	*	*			trans	-79	99.1	161.5	-75.3	-178.1	-11.2	0	0	109.2
52	I	28	Very low	29.5	Very low	118 Å²	118	133.8 Å²	133.8	61%	0.605	72%	0.722	S	S	*	*			trans	-98.8	110.9	170.3	-54.2	179.8	0	0	0	108.1	M50 I54	M50-I52 HydrophobicContact CB-CG1 4.25Å; M50-I52 PolarHBondContact O-N 2.87Å; I52-I54 HydrophobicContact CB-CG1 4.38Å; I52-I54 HydrophobicContact CG2-CD1 4.45Å; I52-I54 HydrophobicContact CG2-CG1 3.75Å; I52-I54 PolarHBondContact O-N 3.07Å
53	N	27	Very low	29.3	Very low	160 Å²	160	134.6 Å²	134.6	86%	0.856	73%	0.726	S	S	*	*			trans	-74.1	104.1	168.8	-88	-37.9	0	0	0	109.1
54	I	28.8	Very low	29.4	Very low	94 Å²	94	137 Å²	137	48%	0.482	72%	0.724	S	S	.	*			trans	-97.7	103.4	178.7	-51.3	178.9	0	0	0	109.5	I52 V56	I52-I54 HydrophobicContact CB-CG1 4.38Å; I52-I54 HydrophobicContact CG2-CD1 4.45Å; I52-I54 HydrophobicContact CG2-CG1 3.75Å; I52-I54 PolarHBondContact O-N 3.07Å; I54-V56 HydrophobicContact CG2-CG2 3.74Å; I54-V56 PolarHBondContact O-N 3.3Å
55	S	27.5	Very low	29.7	Very low	76 Å²	76	134.5 Å²	134.5	53%	0.531	72%	0.724	S	S	.	*			trans	-78.5	94.7	169.3	42.6	0	0	0	0	110.6	F57	S55-F57 PolarHBondContact O-N 2.98Å
56	V	29.2	Very low	30.1	Very low	70 Å²	70	136.1 Å²	136.1	42%	0.424	72%	0.723	S	S	.	*			trans	-83.9	104.8	179.1	-171.9	0	0	0	0	110.7	I54 V58	I54-V56 HydrophobicContact CG2-CG2 3.74Å; I54-V56 PolarHBondContact O-N 3.3Å; V56-V58 HydrophobicContact CG1-CG2 3.77Å
57	F	31.8	Very low	30	Very low	167 Å²	167	138.9 Å²	138.9	73%	0.732	72%	0.724	S	S	*	*			trans	-89.3	106.5	170	-68.6	-82	0	0	0	110.9	S55	S55-F57 PolarHBondContact O-N 2.98Å
58	V	32.5	Very low	30.2	Very low	65 Å²	65	141.4 Å²	141.4	39%	0.394	73%	0.731	S	S	.	*			trans	-98.2	89.8	175.5	-173.5	0	0	0	0	109.9	F7 V56 F60	F7-V58 HydrophobicContact CD1-CG1 4.5Å; F7-V58 HydrophobicContact CE1-CG1 4.44Å; V56-V58 HydrophobicContact CG1-CG2 3.77Å; V58-F60 PolarHBondContact O-N 2.96Å
59	L	32.1	Very low	30.5	Very low	117 Å²	117	140.2 Å²	140.2	61%	0.613	73%	0.729	S	S	*	*			trans	-89.2	73.8	176.4	-82.7	167.9	0	0	0	112.5	M92	L59-M92 HydrophobicContact CD1-SD 3.9Å; L59-M92 HydrophobicContact CD2-CE 3.92Å; L59-M92 HydrophobicContact CD2-SD 4.35Å
60	F	27.9	Very low	30.5	Very low	187 Å²	187	139.9 Å²	139.9	82%	0.82	73%	0.726	S	S	*	*			trans	-156.3	94.3	156.3	-92.8	-71.1	0	0	0	110.2	V58	V58-F60 PolarHBondContact O-N 2.96Å
61	H	30	Very low	30.5	Very low	162 Å²	162	138.6 Å²	138.6	75%	0.75	73%	0.728	S	S	*	*	S	Bend	trans	166.8	83.1	136.2	-170.5	-69.7	0	0	0	112.1
62	E	33.4	Very low	30.9	Very low	181 Å²	181	136.3 Å²	136.3	85%	0.846	72%	0.72	S	S	*	*			trans	-145.2	-0.7	161.8	-136	173.4	-149.1	0	0	115	Y64	E62-Y64 VanDerWaalsContact C-N 3.27Å; E62-Y64 PolarHBondContact O-N 3.07Å
63	L	29.6	Very low	31.2	Very low	150 Å²	150	136.7 Å²	136.7	79%	0.785	73%	0.73	S	S	*	*	S	Bend	trans	-82.6	13.7	-175.7	-71.6	172.5	0	0	0	115.5
64	Y	29.2	Very low	31.6	Very low	210 Å²	210	134.9 Å²	134.9	82%	0.824	73%	0.725	S	S	*	*			trans	-148.1	91	173.8	-89.1	-85.6	0	0	0	112.8	E62	E62-Y64 VanDerWaalsContact C-N 3.27Å; E62-Y64 PolarHBondContact O-N 3.07Å
65	P	35.1	Very low	31.9	Very low	113 Å²	113	137.6 Å²	137.6	73%	0.734	74%	0.74	S	S	*	*			trans	-82.3	131.5	148.5	-2.7	21.8	0	0	0	109.2
66	S	33.3	Very low	32	Very low	121 Å²	121	144.3 Å²	144.3	85%	0.846	75%	0.754	S	S	*	*			trans	-59.9	140.1	175.7	-61	0	0	0	0	112	E68	S66-E68 PolarHBondContact O-N 2.81Å
67	K	30.3	Very low	32.3	Very low	191 Å²	191	147.5 Å²	147.5	83%	0.83	77%	0.769	S	S	*	*			trans	-68.1	115.5	-179.2	-62.7	176.3	177.3	-176.7	0	112.4
68	E	33.7	Very low	32.7	Very low	190 Å²	190	143.9 Å²	143.9	89%	0.888	78%	0.779	S	S	*	*			trans	-140.7	148.6	151.5	-68.1	-165.1	175.9	0	0	110.6	S66	S66-E68 PolarHBondContact O-N 2.81Å
69	A	34.4	Very low	33.2	Very low	103 Å²	103	146 Å²	146	85%	0.851	79%	0.787	S	S	*	*	S	Bend	trans	75.5	116.8	178.4	0	0	0	0	0	120.4
70	S	30.8	Very low	33.9	Very low	105 Å²	105	145.5 Å²	145.5	73%	0.734	78%	0.784	S	S	*	*			trans	79.9	85.4	146.6	-167	0	0	0	0	122.1
71	T	30.8	Very low	35.3	Very low	131 Å²	131	139.1 Å²	139.1	80%	0.804	76%	0.763	S	S	*	*				46	88	126.2	13.8	0	0	0	0	120.4
72	I	34.4	Very low	36.5	Very low	151 Å²	151	133.2 Å²	133.2	77%	0.774	74%	0.738	S	S	*	*			trans	-165.5	147.5	135.9	-95.5	146.7	0	0	0	106.4	V74	I72-V74 PolarHBondContact O-N 3.3Å; I72-V74 VanDerWaalsContact O-N 3.17Å
73	P	34	Very low	37.9	Very low	126 Å²	126	130 Å²	130	82%	0.818	72%	0.723	S	S	*	*			trans	-70	114.9	-173.8	-15.9	30.7	0	0	0	111.5	D75	P73-D75 PolarHBondContact O-N 3.42Å
74	V	34.2	Very low	39.6	Very low	122 Å²	122	127.1 Å²	127.1	74%	0.739	71%	0.708	S	S	*	*			trans	-80.1	109.6	172.6	175.9	0	0	0	0	108.5	I72	I72-V74 PolarHBondContact O-N 3.3Å; I72-V74 VanDerWaalsContact O-N 3.17Å
75	D	35.3	Very low	40.9	Very low	151 Å²	151	120.1 Å²	120.1	81%	0.807	68%	0.682	S	S	*	*			trans	-64.7	143.3	165.9	-162.7	8.1	0	0	0	109.7	P73	P73-D75 PolarHBondContact O-N 3.42Å
76	R	30.4	Very low	42.1	Very low	217 Å²	217	115 Å²	115	82%	0.819	65%	0.649	S	S	*	*			trans	-88.5	119.3	-178.7	-71.1	-175.7	176.1	-159.1	1.5	108.7
77	D	36	Very low	43.6	Very low	137 Å²	137	111.7 Å²	111.7	73%	0.733	62%	0.624	S	S	*	*				-166.9	124.9	127.5	-94.3	-25.3	0	0	0	110.3	I79	D77-I79 HydrophobicContact CB-CD1 3.86Å; D77-I79 HydrophobicContact CB-CG1 4.09Å; D77-I79 PolarHBondContact O-N 3Å
78	G	39	Very low	45.1	Very low	92 Å²	92	104.6 Å²	104.6	95%	0.948	60%	0.601	S	S	*	*			trans	-79.4	48.7	-173.6	0	0	0	0	0	113.5
79	I	43.3	Very low	46.1	Very low	109 Å²	109	96.8 Å²	96.8	56%	0.559	57%	0.565	S	S	*	*			trans	-97.1	104.5	-172.5	-59.4	169.7	0	0	0	108.6	D77 S81 L114	D77-I79 HydrophobicContact CB-CD1 3.86Å; D77-I79 HydrophobicContact CB-CG1 4.09Å; D77-I79 PolarHBondContact O-N 3Å; I79-S81 PolarHBondContact O-N 2.91Å; I79-L114 HydrophobicContact CD1-CD1 4.18Å
80	L	46.2	Very low	47.3	Very low	107 Å²	107	96.6 Å²	96.6	56%	0.56	55%	0.546	S	S	*	.			trans	-67.5	119.6	170.8	-156.6	87.3	0	0	0	108.6	F85	L80-F85 HydrophobicContact CD2-CB 4.24Å; L80-F85 HydrophobicContact CD2-CD2 4.49Å
81	S	57.5	Low	49	Very low	53 Å²	53	99.8 Å²	99.8	37%	0.371	55%	0.547	S	S	.	.			trans	-68	142.6	176.3	-178.1	0	0	0	0	110.4	I79 Q83 D84 F85	I79-S81 PolarHBondContact O-N 2.91Å; S81-Q83 PolarHBondContact O-N 3.15Å; S81-Q83 WeakPolarHBondContact OG-CB 3.47Å; S81-Q83 PolarHBondContact OG-N 3.13Å; S81-Q83 VanDerWaalsContact OG-N 3.17Å; S81-D84 WeakPolarHBondContact CB-OD2 3.24Å; S81-D84 PolarHBondContact N-OD2 2.97Å; S81-D84 WeakPolarHBondContact O-CB 3.27Å; S81-D84 PolarHBondContact O-N 3.36Å; S81-F85 PolarHBondContact O-N 3.19Å
82	T	55.2	Low	50	Low	38 Å²	38	98.2 Å²	98.2	23%	0.233	53%	0.532	C	S	.	.	H	α-helix	trans	-54.8	-33.6	167.4	-47.8	0	0	0	0	110.8	F85 I86	T82-F85 PolarHBondContact O-N 2.95Å; T82-I86 HydrophobicContact CG2-CD1 3.99Å; T82-I86 WeakPolarHBondContact O-CB 3.32Å; T82-I86 VanDerWaalsContact O-CG1 3.28Å; T82-I86 WeakPolarHBondContact O-CG1 3.22Å; T82-I86 PolarHBondContact O-N 3.31Å
83	Q	64	Low	50.8	Low	112 Å²	112	98.9 Å²	98.9	52%	0.523	54%	0.537	S	S	.	.	H	α-helix	trans	-67.6	-34.6	174.8	-168.9	61.2	36.7	0	0	112.5	S81 T87	S81-Q83 PolarHBondContact O-N 3.15Å; S81-Q83 WeakPolarHBondContact OG-CB 3.47Å; S81-Q83 PolarHBondContact OG-N 3.13Å; S81-Q83 VanDerWaalsContact OG-N 3.17Å; Q83-T87 WeakPolarHBondContact O-CB 3.4Å; Q83-T87 PolarHBondContact O-N 3.32Å; Q83-T87 PolarHBondContact O-OG1 3.38Å
84	D	63.6	Low	51.7	Low	90 Å²	90	97.3 Å²	97.3	48%	0.481	52%	0.521	S	S	.	.	H	α-helix	trans	-72.3	-38.6	177.1	-62	-31.8	0	0	0	110.9	S81 T87 A88	S81-D84 WeakPolarHBondContact CB-OD2 3.24Å; S81-D84 PolarHBondContact N-OD2 2.97Å; S81-D84 WeakPolarHBondContact O-CB 3.27Å; S81-D84 PolarHBondContact O-N 3.36Å; D84-T87 PolarHBondContact O-N 2.7Å; D84-A88 WeakPolarHBondContact O-CB 3.08Å; D84-A88 PolarHBondContact O-N 2.87Å
85	F	57.2	Low	52.4	Low	63 Å²	63	99.8 Å²	99.8	28%	0.276	53%	0.525	S	S	.	.	H	α-helix	trans	-62.6	-48.1	173.1	-178	-108.1	0	0	0	111.6	L80 S81 T82 T87 A88 L89 F105	L80-F85 HydrophobicContact CD2-CB 4.24Å; L80-F85 HydrophobicContact CD2-CD2 4.49Å; S81-F85 PolarHBondContact O-N 3.19Å; T82-F85 PolarHBondContact O-N 2.95Å; F85-T87 VanDerWaalsContact C-N 3.31Å; F85-T87 PolarHBondContact O-N 2.63Å; F85-A88 WeakPolarHBondContact O-CB 3.36Å; F85-A88 PolarHBondContact O-N 3.3Å; F85-A88 VanDerWaalsContact O-N 3.16Å; F85-L89 HydrophobicContact CD1-CD1 3.92Å; F85-L89 HydrophobicContact CE1-CD1 3.46Å; F85-L89 VanDerWaalsContact CE1-CD1 3.46Å; F85-L89 HydrophobicContact CE1-CG 4.32Å; F85-L89 HydrophobicContact CZ-CD1 3.8Å; F85-L89 HydrophobicContact CZ-CG 4.31Å; F85-L89 WeakPolarHBondContact O-CG 3.42Å; F85-L89 PolarHBondContact O-N 3.5Å; F85-F105 AromaticContact CD1-CE2 3.93Å; F85-F105 HydrophobicContact CD1-CE2 3.93Å; F85-F105 HydrophobicContact CD1-CZ 4.35Å; F85-F105 HydrophobicContact CE1-CE2 4.17Å
86	I	60.5	Low	53.6	Low	6 Å²	6	94.5 Å²	94.5	3%	0.031	50%	0.496	C	S	.	.	H	α-helix	trans	-63.3	-37.8	174.9	-69.3	169.4	0	0	0	111	T82 A88 L89 H90 V98 A101	T82-I86 HydrophobicContact CG2-CD1 3.99Å; T82-I86 WeakPolarHBondContact O-CB 3.32Å; T82-I86 VanDerWaalsContact O-CG1 3.28Å; T82-I86 WeakPolarHBondContact O-CG1 3.22Å; T82-I86 PolarHBondContact O-N 3.31Å; I86-A88 VanDerWaalsContact C-N 3.34Å; I86-A88 PolarHBondContact O-N 2.93Å; I86-L89 PolarHBondContact O-N 2.9Å; I86-H90 WeakPolarHBondContact CG2-CE1 3.38Å; I86-H90 WeakPolarHBondContact O-CB 3.44Å; I86-H90 VanDerWaalsContact O-CG 3.32Å; I86-H90 PolarHBondContact O-N 3.26Å; I86-H90 PolarHBondContact O-ND1 2.98Å; I86-V98 HydrophobicContact CD1-CB 4.29Å; I86-V98 HydrophobicContact CD1-CG1 4.32Å; I86-V98 HydrophobicContact CD1-CG2 4Å; I86-A101 HydrophobicContact CD1-CB 4.05Å; I86-A101 HydrophobicContact CG1-CB 4.07Å
87	T	65.6	Low	54.8	Low	52 Å²	52	86.3 Å²	86.3	32%	0.319	47%	0.472	S	S	.	.	H	α-helix	trans	-68.3	-32.4	175.2	-58.3	0	0	0	0	112.1	Q83 D84 F85 K91	Q83-T87 WeakPolarHBondContact O-CB 3.4Å; Q83-T87 PolarHBondContact O-N 3.32Å; Q83-T87 PolarHBondContact O-OG1 3.38Å; D84-T87 PolarHBondContact O-N 2.7Å; F85-T87 VanDerWaalsContact C-N 3.31Å; F85-T87 PolarHBondContact O-N 2.63Å; T87-K91 WeakPolarHBondContact O-CB 3.49Å; T87-K91 VanDerWaalsContact O-CG 3.25Å; T87-K91 WeakPolarHBondContact O-CG 3.45Å; T87-K91 PolarHBondContact O-N 3.15Å; T87-K91 VanDerWaalsContact O-N 3.09Å
88	A	60.3	Low	55.8	Low	42 Å²	42	83.6 Å²	83.6	35%	0.347	46%	0.46	S	S	.	.	H	α-helix	trans	-70.9	-40.7	173.1	0	0	0	0	0	111.8	D84 F85 I86 K91 M92	D84-A88 WeakPolarHBondContact O-CB 3.08Å; D84-A88 PolarHBondContact O-N 2.87Å; F85-A88 WeakPolarHBondContact O-CB 3.36Å; F85-A88 PolarHBondContact O-N 3.3Å; F85-A88 VanDerWaalsContact O-N 3.16Å; I86-A88 VanDerWaalsContact C-N 3.34Å; I86-A88 PolarHBondContact O-N 2.93Å; A88-K91 WeakPolarHBondContact O-CB 3.4Å; A88-K91 PolarHBondContact O-N 3.45Å; A88-M92 WeakPolarHBondContact O-CG 3.37Å; A88-M92 PolarHBondContact O-N 2.89Å
89	L	55.4	Low	56.8	Low	26 Å²	26	85.5 Å²	85.5	14%	0.136	44%	0.444	C	S	.	.	H	α-helix	trans	-65.1	-45.7	174.5	-70.3	176.7	0	0	0	112	F85 I86 K91 M92 D93 L94 L96	F85-L89 HydrophobicContact CD1-CD1 3.92Å; F85-L89 HydrophobicContact CE1-CD1 3.46Å; F85-L89 VanDerWaalsContact CE1-CD1 3.46Å; F85-L89 HydrophobicContact CE1-CG 4.32Å; F85-L89 HydrophobicContact CZ-CD1 3.8Å; F85-L89 HydrophobicContact CZ-CG 4.31Å; F85-L89 WeakPolarHBondContact O-CG 3.42Å; F85-L89 PolarHBondContact O-N 3.5Å; I86-L89 PolarHBondContact O-N 2.9Å; L89-K91 PolarHBondContact O-N 2.9Å; L89-M92 CarbonylContact O-C 3.56Å; L89-M92 WeakPolarHBondContact O-CA 3.43Å; L89-M92 PolarHBondContact O-N 3.46Å; L89-D93 PolarHBondContact O-N 2.95Å; L89-L94 CarbonylContact C-O 3.52Å; L89-L94 VanDerWaalsContact C-O 3.26Å; L89-L94 HydrophobicContact CB-CB 4.26Å; L89-L94 WeakPolarHBondContact CB-O 3.29Å; L89-L94 HydrophobicContact CD2-CB 4.1Å; L89-L94 PolarHBondContact O-N 2.94Å; L89-L94 VanDerWaalsContact O-N 3.08Å; L89-L96 HydrophobicContact CD1-CB 3.89Å; L89-L96 HydrophobicContact CD1-CD2 3.98Å
90	H	60.2	Low	57.4	Low	99 Å²	99	85.2 Å²	85.2	46%	0.458	44%	0.44	S	S	.	.	H	α-helix	trans	-62.1	-25.5	172.2	-71.2	150.3	0	0	0	113.4	I86 M92	I86-H90 WeakPolarHBondContact CG2-CE1 3.38Å; I86-H90 WeakPolarHBondContact O-CB 3.44Å; I86-H90 VanDerWaalsContact O-CG 3.32Å; I86-H90 PolarHBondContact O-N 3.26Å; I86-H90 PolarHBondContact O-ND1 2.98Å; H90-M92 VanDerWaalsContact C-N 3.26Å
91	K	66.7	Low	58.1	Low	171 Å²	171	80.1 Å²	80.1	74%	0.743	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-9.9	171.1	-80.9	173.7	177.7	179.8	0	113.6	T87 A88 L89	T87-K91 WeakPolarHBondContact O-CB 3.49Å; T87-K91 VanDerWaalsContact O-CG 3.25Å; T87-K91 WeakPolarHBondContact O-CG 3.45Å; T87-K91 PolarHBondContact O-N 3.15Å; T87-K91 VanDerWaalsContact O-N 3.09Å; A88-K91 WeakPolarHBondContact O-CB 3.4Å; A88-K91 PolarHBondContact O-N 3.45Å; L89-K91 PolarHBondContact O-N 2.9Å
92	M	50.9	Low	58	Low	99 Å²	99	80.8 Å²	80.8	49%	0.488	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	15.2	-179.4	-65.5	-177.8	-178.3	0	0	112.8	L59 A88 L89 H90 L94	L59-M92 HydrophobicContact CD1-SD 3.9Å; L59-M92 HydrophobicContact CD2-CE 3.92Å; L59-M92 HydrophobicContact CD2-SD 4.35Å; A88-M92 WeakPolarHBondContact O-CG 3.37Å; A88-M92 PolarHBondContact O-N 2.89Å; L89-M92 CarbonylContact O-C 3.56Å; L89-M92 WeakPolarHBondContact O-CA 3.43Å; L89-M92 PolarHBondContact O-N 3.46Å; H90-M92 VanDerWaalsContact C-N 3.26Å; M92-L94 HydrophobicContact CB-CD1 3.83Å; M92-L94 PolarHBondContact O-N 3.27Å; M92-L94 VanDerWaalsContact O-N 3.15Å
93	D	50.6	Low	58.2	Low	164 Å²	164	85.1 Å²	85.1	88%	0.877	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	20.8	-173.4	-93.3	-7.6	0	0	0	114.4	L89	L89-D93 PolarHBondContact O-N 2.95Å
94	L	52.6	Low	57.7	Low	94 Å²	94	83 Å²	83	49%	0.492	42%	0.418	S	S	.	.			trans	-95.2	94.4	167.8	-75.5	118.7	0	0	0	109	L89 M92 L96	L89-L94 CarbonylContact C-O 3.52Å; L89-L94 VanDerWaalsContact C-O 3.26Å; L89-L94 HydrophobicContact CB-CB 4.26Å; L89-L94 WeakPolarHBondContact CB-O 3.29Å; L89-L94 HydrophobicContact CD2-CB 4.1Å; L89-L94 PolarHBondContact O-N 2.94Å; L89-L94 VanDerWaalsContact O-N 3.08Å; M92-L94 HydrophobicContact CB-CD1 3.83Å; M92-L94 PolarHBondContact O-N 3.27Å; M92-L94 VanDerWaalsContact O-N 3.15Å; L94-L96 PolarHBondContact O-N 2.67Å
95	E	50.8	Low	57.2	Low	174 Å²	174	81.4 Å²	81.4	81%	0.813	41%	0.407	S	S	*	.			trans	-69.4	117	163.1	-70	-166.3	155.7	0	0	109
96	L	58.6	Low	57.1	Low	40 Å²	40	83.3 Å²	83.3	21%	0.209	42%	0.417	C	S	.	.			trans	-128.8	123.4	170.3	-156	87.9	0	0	0	106.5	L89 L94 E100 A101 I104	L89-L96 HydrophobicContact CD1-CB 3.89Å; L89-L96 HydrophobicContact CD1-CD2 3.98Å; L94-L96 PolarHBondContact O-N 2.67Å; L96-E100 HydrophobicContact CD1-CB 4.35Å; L96-E100 HydrophobicContact CD2-CB 4.36Å; L96-E100 HydrophobicContact CG-CB 3.84Å; L96-A101 HydrophobicContact CD2-CB 3.93Å; L96-I104 HydrophobicContact CD1-CD1 4.36Å; L96-I104 HydrophobicContact CD2-CD1 3.75Å
97	S	55.8	Low	56.7	Low	44 Å²	44	86.4 Å²	86.4	31%	0.308	44%	0.436	S	S	.	.			trans	-60.3	156.6	-179.2	119.3	0	0	0	0	110.8	E99 E100 A101	S97-E99 PolarHBondContact O-N 3.27Å; S97-E99 WeakPolarHBondContact OG-CB 3.22Å; S97-E99 PolarHBondContact OG-N 3.49Å; S97-E99 PolarHBondContact OG-OE2 3.31Å; S97-E100 PolarHBondContact N-OE2 2.75Å; S97-E100 PolarHBondContact O-N 2.92Å; S97-E100 VanDerWaalsContact O-N 3.14Å; S97-E100 PolarHBondContact OG-N 2.75Å; S97-A101 WeakPolarHBondContact O-CB 3.32Å; S97-A101 PolarHBondContact O-N 3.44Å
98	V	58.5	Low	55.6	Low	80 Å²	80	88.2 Å²	88.2	49%	0.485	44%	0.444	S	S	.	.	H	α-helix	trans	-58.3	-38.9	174.9	-177.7	0	0	0	0	110.1	I86 H102	I86-V98 HydrophobicContact CD1-CB 4.29Å; I86-V98 HydrophobicContact CD1-CG1 4.32Å; I86-V98 HydrophobicContact CD1-CG2 4Å; V98-H102 WeakPolarHBondContact O-CB 3.41Å; V98-H102 PolarHBondContact O-N 3.45Å
99	E	60.2	Low	54.9	Low	133 Å²	133	94.9 Å²	94.9	62%	0.621	47%	0.468	S	S	*	.	H	α-helix	trans	-69	-39	176.2	-56.9	68.7	-152.7	0	0	112.1	S97 H102 F103	S97-E99 PolarHBondContact O-N 3.27Å; S97-E99 WeakPolarHBondContact OG-CB 3.22Å; S97-E99 PolarHBondContact OG-N 3.49Å; S97-E99 PolarHBondContact OG-OE2 3.31Å; E99-H102 PolarHBondContact O-N 3.35Å; E99-F103 VanDerWaalsContact O-CB 3.24Å; E99-F103 WeakPolarHBondContact O-CB 3.37Å; E99-F103 PolarHBondContact O-N 2.58Å
100	E	55.9	Low	54.4	Low	102 Å²	102	97.2 Å²	97.2	48%	0.477	48%	0.48	S	S	.	.	H	α-helix	trans	-68.4	-42.6	174.8	-69.5	176.7	146.2	0	0	111.8	L96 S97 H102 F103 I104	L96-E100 HydrophobicContact CD1-CB 4.35Å; L96-E100 HydrophobicContact CD2-CB 4.36Å; L96-E100 HydrophobicContact CG-CB 3.84Å; S97-E100 PolarHBondContact N-OE2 2.75Å; S97-E100 PolarHBondContact O-N 2.92Å; S97-E100 VanDerWaalsContact O-N 3.14Å; S97-E100 PolarHBondContact OG-N 2.75Å; E100-H102 VanDerWaalsContact C-N 3.34Å; E100-H102 PolarHBondContact O-N 3.1Å; E100-F103 PolarHBondContact O-N 2.88Å; E100-I104 WeakPolarHBondContact O-CG1 3.18Å; E100-I104 PolarHBondContact O-N 3.24Å
101	A	59.9	Low	53.1	Low	0 Å²	0	98 Å²	98	0%	0	49%	0.493	C	S	.	.	H	α-helix	trans	-57.8	-49.5	170.7	0	0	0	0	0	110.2	I86 L96 S97 F103 I104 F105	I86-A101 HydrophobicContact CD1-CB 4.05Å; I86-A101 HydrophobicContact CG1-CB 4.07Å; L96-A101 HydrophobicContact CD2-CB 3.93Å; S97-A101 WeakPolarHBondContact O-CB 3.32Å; S97-A101 PolarHBondContact O-N 3.44Å; A101-F103 VanDerWaalsContact C-N 3.31Å; A101-F103 PolarHBondContact O-N 2.62Å; A101-I104 PolarHBondContact O-N 3.32Å; A101-F105 WeakPolarHBondContact O-CD2 3.36Å; A101-F105 PolarHBondContact O-N 2.89Å
102	H	56.3	Low	51.6	Low	68 Å²	68	93.2 Å²	93.2	32%	0.315	48%	0.476	S	S	.	.	H	α-helix	trans	-62.5	-36.5	178.5	-162	-103.6	0	0	0	112.2	V98 E99 E100 F105 Q106	V98-H102 WeakPolarHBondContact O-CB 3.41Å; V98-H102 PolarHBondContact O-N 3.45Å; E99-H102 PolarHBondContact O-N 3.35Å; E100-H102 VanDerWaalsContact C-N 3.34Å; E100-H102 PolarHBondContact O-N 3.1Å; H102-F105 PolarHBondContact O-N 2.77Å; H102-Q106 PolarHBondContact CE1-NE2 3.08Å; H102-Q106 PolarHBondContact ND1-NE2 3.45Å; H102-Q106 WeakPolarHBondContact O-CB 3.47Å; H102-Q106 VanDerWaalsContact O-CG 3.32Å; H102-Q106 WeakPolarHBondContact O-CG 3.45Å; H102-Q106 PolarHBondContact O-N 3.29Å
103	F	58.3	Low	50.7	Low	129 Å²	129	93.1 Å²	93.1	57%	0.566	49%	0.485	S	S	*	.	H	α-helix	trans	-66.4	-41.3	173.7	-176.6	-100.9	0	0	0	112	E99 E100 A101 F105 Q106 T107	E99-F103 VanDerWaalsContact O-CB 3.24Å; E99-F103 WeakPolarHBondContact O-CB 3.37Å; E99-F103 PolarHBondContact O-N 2.58Å; E100-F103 PolarHBondContact O-N 2.88Å; A101-F103 VanDerWaalsContact C-N 3.31Å; A101-F103 PolarHBondContact O-N 2.62Å; F103-F105 VanDerWaalsContact C-N 3.34Å; F103-F105 PolarHBondContact O-N 3.5Å; F103-Q106 PolarHBondContact O-N 3.39Å; F103-T107 HydrophobicContact CD1-CG2 4.05Å; F103-T107 HydrophobicContact CD2-CG2 4Å; F103-T107 HydrophobicContact CE1-CG2 3.72Å; F103-T107 HydrophobicContact CE2-CG2 3.66Å; F103-T107 HydrophobicContact CG-CG2 4.19Å; F103-T107 HydrophobicContact CZ-CG2 3.52Å; F103-T107 WeakPolarHBondContact O-CB 3.46Å; F103-T107 WeakPolarHBondContact O-CG2 3.32Å; F103-T107 PolarHBondContact O-N 2.93Å; F103-T107 PolarHBondContact O-OG1 3.46Å
104	I	54.4	Low	49.6	Very low	67 Å²	67	92 Å²	92	34%	0.344	48%	0.478	S	S	.	.	H	α-helix	trans	-61.6	-42.3	172.3	-69.8	179.8	0	0	0	110.8	L96 E100 A101 T107 N108	L96-I104 HydrophobicContact CD1-CD1 4.36Å; L96-I104 HydrophobicContact CD2-CD1 3.75Å; E100-I104 WeakPolarHBondContact O-CG1 3.18Å; E100-I104 PolarHBondContact O-N 3.24Å; A101-I104 PolarHBondContact O-N 3.32Å; I104-T107 PolarHBondContact O-OG1 3.34Å; I104-N108 WeakPolarHBondContact O-CB 3.26Å; I104-N108 PolarHBondContact O-N 3.06Å; I104-N108 PolarHBondContact O-ND2 3.08Å
105	F	53.1	Low	48.5	Very low	57 Å²	57	94.4 Å²	94.4	25%	0.25	49%	0.485	C	S	.	.	H	α-helix	trans	-65.9	-40	175.3	-80.5	-73	0	0	0	112.7	F85 A101 H102 F103 L110 L112	F85-F105 AromaticContact CD1-CE2 3.93Å; F85-F105 HydrophobicContact CD1-CE2 3.93Å; F85-F105 HydrophobicContact CD1-CZ 4.35Å; F85-F105 HydrophobicContact CE1-CE2 4.17Å; A101-F105 WeakPolarHBondContact O-CD2 3.36Å; A101-F105 PolarHBondContact O-N 2.89Å; H102-F105 PolarHBondContact O-N 2.77Å; F103-F105 VanDerWaalsContact C-N 3.34Å; F103-F105 PolarHBondContact O-N 3.5Å; F105-L110 HydrophobicContact CD1-CB 3.93Å; F105-L110 HydrophobicContact CD1-CD1 3.76Å; F105-L110 HydrophobicContact CD1-CG 4.47Å; F105-L110 HydrophobicContact CE1-CD1 4.06Å; F105-L112 HydrophobicContact CB-CD2 4.03Å
106	Q	55	Low	47.4	Very low	102 Å²	102	96.7 Å²	96.7	48%	0.477	49%	0.486	S	S	.	.	H	α-helix	trans	-71.5	-43.3	179.6	-76.1	-174.4	-20.6	0	0	113.8	H102 F103 N108 L112	H102-Q106 PolarHBondContact CE1-NE2 3.08Å; H102-Q106 PolarHBondContact ND1-NE2 3.45Å; H102-Q106 WeakPolarHBondContact O-CB 3.47Å; H102-Q106 VanDerWaalsContact O-CG 3.32Å; H102-Q106 WeakPolarHBondContact O-CG 3.45Å; H102-Q106 PolarHBondContact O-N 3.29Å; F103-Q106 PolarHBondContact O-N 3.39Å; Q106-N108 PolarHBondContact O-N 3.21Å; Q106-L112 HydrophobicContact CB-CD1 4.49Å; Q106-L112 HydrophobicContact CG-CD1 3.85Å; Q106-L112 HydrophobicContact CG-CD2 4.02Å
107	T	51.1	Low	46	Very low	71 Å²	71	99.6 Å²	99.6	44%	0.436	51%	0.51	S	S	.	.	H	α-helix	trans	-73.2	-25.6	-174.5	49.2	0	0	0	0	114.1	F103 I104	F103-T107 HydrophobicContact CD1-CG2 4.05Å; F103-T107 HydrophobicContact CD2-CG2 4Å; F103-T107 HydrophobicContact CE1-CG2 3.72Å; F103-T107 HydrophobicContact CE2-CG2 3.66Å; F103-T107 HydrophobicContact CG-CG2 4.19Å; F103-T107 HydrophobicContact CZ-CG2 3.52Å; F103-T107 WeakPolarHBondContact O-CB 3.46Å; F103-T107 WeakPolarHBondContact O-CG2 3.32Å; F103-T107 PolarHBondContact O-N 2.93Å; F103-T107 PolarHBondContact O-OG1 3.46Å; I104-T107 PolarHBondContact O-OG1 3.34Å
108	N	42.4	Very low	44.8	Very low	91 Å²	91	103.5 Å²	103.5	49%	0.487	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	10.9	-172.6	-71.5	-73	0	0	0	114.7	I104 Q106 L110	I104-N108 WeakPolarHBondContact O-CB 3.26Å; I104-N108 PolarHBondContact O-N 3.06Å; I104-N108 PolarHBondContact O-ND2 3.08Å; Q106-N108 PolarHBondContact O-N 3.21Å; N108-L110 HydrophobicContact CB-CD1 4.11Å; N108-L110 HydrophobicContact CB-CG 4.15Å; N108-L110 PolarHBondContact O-N 3.34Å
109	H	46.8	Very low	43.6	Very low	182 Å²	182	107.7 Å²	107.7	84%	0.843	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	26.8	-173.3	-62.7	-74.1	0	0	0	114
110	L	44.5	Very low	42.1	Very low	75 Å²	75	107.9 Å²	107.9	39%	0.393	56%	0.556	S	S	.	*			trans	-64.9	141.8	168.6	-70	164.3	0	0	0	107.8	F105 N108 L112	F105-L110 HydrophobicContact CD1-CB 3.93Å; F105-L110 HydrophobicContact CD1-CD1 3.76Å; F105-L110 HydrophobicContact CD1-CG 4.47Å; F105-L110 HydrophobicContact CE1-CD1 4.06Å; N108-L110 HydrophobicContact CB-CD1 4.11Å; N108-L110 HydrophobicContact CB-CG 4.15Å; N108-L110 PolarHBondContact O-N 3.34Å; L110-L112 PolarHBondContact O-N 2.9Å
111	P	32.4	Very low	40.8	Very low	114 Å²	114	106.5 Å²	106.5	74%	0.74	57%	0.569	S	S	*	*			trans	-66.1	98.4	-170.9	24.2	-33.4	0	0	0	112	S113	P111-S113 PolarHBondContact O-N 2.91Å; P111-S113 VanDerWaalsContact O-N 3.1Å
112	L	36.1	Very low	39.5	Very low	71 Å²	71	110.6 Å²	110.6	37%	0.372	60%	0.603	S	S	.	*			trans	-68.5	1.9	172.9	-62.9	169.4	0	0	0	113.5	F105 Q106 L110 L114	F105-L112 HydrophobicContact CB-CD2 4.03Å; Q106-L112 HydrophobicContact CB-CD1 4.49Å; Q106-L112 HydrophobicContact CG-CD1 3.85Å; Q106-L112 HydrophobicContact CG-CD2 4.02Å; L110-L112 PolarHBondContact O-N 2.9Å; L112-L114 VanDerWaalsContact C-N 3.31Å; L112-L114 PolarHBondContact O-N 2.69Å
113	S	30.4	Very low	38.3	Very low	98 Å²	98	113.6 Å²	113.6	69%	0.685	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	67.4	-166.8	59.8	0	0	0	0	113	P111	P111-S113 PolarHBondContact O-N 2.91Å; P111-S113 VanDerWaalsContact O-N 3.1Å
114	L	28.8	Very low	37.2	Very low	139 Å²	139	113.3 Å²	113.3	73%	0.728	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-161.7	18.8	148.6	-109.6	160.6	0	0	0	115.3	I79 L112 R116	I79-L114 HydrophobicContact CD1-CD1 4.18Å; L112-L114 VanDerWaalsContact C-N 3.31Å; L112-L114 PolarHBondContact O-N 2.69Å; L114-R116 PolarHBondContact O-N 2.7Å
115	F	29.6	Very low	36.1	Very low	146 Å²	146	120.1 Å²	120.1	64%	0.64	67%	0.668	S	S	*	*			trans	-79.4	85.6	168.8	-65.8	-70.5	0	0	0	111.6
116	R	28.4	Very low	35.3	Very low	222 Å²	222	122.9 Å²	122.9	84%	0.838	69%	0.694	S	S	*	*			trans	-119.8	120.2	162.8	-163.1	176.8	-168.2	179.8	4.1	109.2	L114 V118	L114-R116 PolarHBondContact O-N 2.7Å; R116-V118 PolarHBondContact O-N 2.71Å
117	S	28.8	Very low	34.2	Very low	100 Å²	100	125.6 Å²	125.6	70%	0.699	71%	0.712	S	S	*	*			trans	-59.1	121.7	174.5	179.8	0	0	0	0	110.4
118	V	30.1	Very low	33.5	Very low	127 Å²	127	128 Å²	128	77%	0.77	73%	0.728	S	S	*	*			trans	-124.5	74.5	170	-174.5	0	0	0	0	108.1	R116 T120	R116-V118 PolarHBondContact O-N 2.71Å; V118-T120 PolarHBondContact O-N 3.1Å
119	H	33.3	Very low	33.1	Very low	167 Å²	167	130.9 Å²	130.9	77%	0.773	74%	0.743	S	S	*	*			trans	-86.5	103.4	163	-74.4	-62.7	0	0	0	109.8
120	T	29.5	Very low	32.6	Very low	138 Å²	138	127.5 Å²	127.5	85%	0.847	74%	0.735	S	S	*	*	S	Bend	trans	51.3	93.7	155.6	57.2	0	0	0	0	117.6	V118	V118-T120 PolarHBondContact O-N 3.1Å
121	G	28.7	Very low	32	Very low	72 Å²	72	132.2 Å²	132.2	74%	0.742	76%	0.755	S	S	*	*			trans	-158.3	115.9	168	0	0	0	0	0	113.8
122	A	31	Very low	31.9	Very low	87 Å²	87	131.3 Å²	131.3	72%	0.719	75%	0.75	S	S	*	*			trans	53.5	100.3	161.1	0	0	0	0	0	118.9	T124	A122-T124 PolarHBondContact O-N 2.92Å; A122-T124 VanDerWaalsContact O-N 3.15Å
123	S	31.1	Very low	31.9	Very low	131 Å²	131	137.2 Å²	137.2	92%	0.916	77%	0.773	S	S	*	*			trans	-57.9	113.4	147.7	175.5	0	0	0	0	109
124	T	35.1	Very low	32	Very low	122 Å²	122	139 Å²	139	75%	0.748	78%	0.782	S	S	*	*			trans	-89	129.1	-178.3	30.1	0	0	0	0	111.7	A122 S126	A122-T124 PolarHBondContact O-N 2.92Å; A122-T124 VanDerWaalsContact O-N 3.15Å; T124-S126 PolarHBondContact O-N 3.15Å
125	K	32.2	Very low	32.3	Very low	211 Å²	211	135.5 Å²	135.5	92%	0.917	78%	0.779	S	S	*	*			trans	-50.5	129.2	179.3	-59.8	163.1	-179.9	172.6	0	112.5
126	S	36	Very low	32.7	Very low	115 Å²	115	134.9 Å²	134.9	80%	0.804	79%	0.788	S	S	*	*			trans	-143.5	116.9	142.7	54.1	0	0	0	0	109.8	T124	T124-S126 PolarHBondContact O-N 3.15Å
127	N	31.5	Very low	33.1	Very low	159 Å²	159	130 Å²	130	85%	0.85	79%	0.788	S	S	*	*			trans	-84.7	146.7	169	-81.9	-34.4	0	0	0	108.7
128	P	38.1	Very low	33.6	Very low	121 Å²	121	130.3 Å²	130.3	79%	0.786	79%	0.79	S	S	*	*				-124.1	112.2	111.3	33.1	-27.2	0	0	0	109.5
129	L	32.3	Very low	34	Very low	152 Å²	152	129 Å²	129	80%	0.796	79%	0.787	S	S	*	*				74.4	128.3	84.2	-156	84.2	0	0	0	113.3
130	V	36.1	Very low	34.2	Very low	111 Å²	111	126.8 Å²	126.8	67%	0.673	78%	0.784	S	S	*	*			trans	91	107.5	163.3	-164.5	0	0	0	0	119
131	H	32.1	Very low	34.7	Very low	173 Å²	173	129.3 Å²	129.3	80%	0.801	79%	0.787	S	S	*	*			trans	58.4	154.9	148.6	-72.7	-41.6	0	0	0	122.1
132	C	30.2	Very low	35	Very low	95 Å²	95	131.5 Å²	131.5	64%	0.642	79%	0.785	S	S	*	*			cis	-169.6	141.2	-35.6	-126.4	0	0	0	0	110.3
133	K	36.1	Very low	35.2	Very low	195 Å²	195	132.7 Å²	132.7	85%	0.848	79%	0.787	S	S	*	*			trans	63.5	135.3	157.9	-64.6	-178.6	175.7	179.7	0	120.1
134	P	33.6	Very low	35.2	Very low	136 Å²	136	134.5 Å²	134.5	88%	0.883	78%	0.781	S	S	*	*			trans	-95.5	165.3	162.3	37.9	-32.7	0	0	0	112.9
135	G	34.4	Very low	35.2	Very low	65 Å²	65	133.7 Å²	133.7	67%	0.67	78%	0.776	S	S	*	*			trans	-166.5	112.9	174.7	0	0	0	0	0	117.1
136	T	37.4	Very low	35.3	Very low	134 Å²	134	133.2 Å²	133.2	82%	0.822	77%	0.774	S	S	*	*			trans	53.6	126.1	134.9	50.4	0	0	0	0	124.9
137	S	38.3	Very low	35.2	Very low	119 Å²	119	134.1 Å²	134.1	83%	0.832	77%	0.774	S	S	*	*			trans	73.1	157.8	137.7	77.2	0	0	0	0	118.8
138	S	38.2	Very low	35.5	Very low	106 Å²	106	132.2 Å²	132.2	74%	0.741	77%	0.773	S	S	*	*			cis	-154.3	148.7	5.4	68.3	0	0	0	0	110.2
139	S	38.9	Very low	35.5	Very low	101 Å²	101	130.1 Å²	130.1	71%	0.706	77%	0.766	S	S	*	*				82.6	107.9	98.5	-173.2	0	0	0	0	119.5
140	V	38.1	Very low	35.8	Very low	120 Å²	120	130.6 Å²	130.6	73%	0.727	77%	0.77	S	S	*	*				64.7	127.4	126.9	-177.4	0	0	0	0	122.4
141	E	39.4	Very low	36.3	Very low	191 Å²	191	130.8 Å²	130.8	89%	0.893	77%	0.773	S	S	*	*				-170.6	170	122.2	-106.4	-179	176.2	0	0	113.5
142	T	34.1	Very low	36.6	Very low	117 Å²	117	129.6 Å²	129.6	72%	0.718	77%	0.773	S	S	*	*			trans	-140.9	166.6	-151.5	-32.4	0	0	0	0	113.3
143	C	35.4	Very low	37.1	Very low	113 Å²	113	132.4 Å²	132.4	76%	0.764	78%	0.78	S	S	*	*			trans	73.3	158.5	159.4	-64.4	0	0	0	0	118.4
144	E	32.6	Very low	37.2	Very low	169 Å²	169	128 Å²	128	79%	0.79	77%	0.773	S	S	*	*			cis	-170.7	162.7	-37.9	-137	-172.3	-154.8	0	0	109.7
145	V	33.8	Very low	37.5	Very low	105 Å²	105	127 Å²	127	64%	0.636	77%	0.765	S	S	*	*			trans	65.3	117.9	152.3	177.2	0	0	0	0	121
146	K	35.3	Very low	37.5	Very low	201 Å²	201	131.6 Å²	131.6	87%	0.874	77%	0.774	S	S	*	*				173.1	172.6	94	-138.3	154.4	-168.2	171.5	0	114.8
147	V	33.4	Very low	37.6	Very low	133 Å²	133	129 Å²	129	81%	0.806	77%	0.774	S	S	*	*			trans	-124.3	145	-162.2	173.5	0	0	0	0	114
148	S	36.8	Very low	37.5	Very low	119 Å²	119	133.1 Å²	133.1	83%	0.832	78%	0.777	S	S	*	*			trans	178.2	159.7	154	-84.3	0	0	0	0	110.7
149	A	38.7	Very low	37.7	Very low	77 Å²	77	133.6 Å²	133.6	64%	0.636	78%	0.778	S	S	*	*			cis	-172.4	149	-33.2	0	0	0	0	0	109.7
150	N	38.2	Very low	37.5	Very low	162 Å²	162	133.9 Å²	133.9	87%	0.866	78%	0.778	S	S	*	*			trans	70.8	130.6	159.7	-57.3	-14.1	0	0	0	122.5
151	P	48.1	Very low	37.8	Very low	116 Å²	116	134.4 Å²	134.4	75%	0.753	78%	0.784	S	S	*	*			trans	-110.9	172	161.2	41.1	-31.8	0	0	0	113.2
152	D	37.6	Very low	37.9	Very low	147 Å²	147	130.1 Å²	130.1	79%	0.786	78%	0.775	S	S	*	*			trans	-178.1	149.1	145.9	-110.1	-23.7	0	0	0	116.9
153	I	41.4	Very low	38.4	Very low	155 Å²	155	129.8 Å²	129.8	80%	0.795	78%	0.775	S	S	*	*			trans	68.9	147.3	150.4	-63.4	161.6	0	0	0	120.5
154	S	37.6	Very low	38.6	Very low	101 Å²	101	130 Å²	130	71%	0.706	77%	0.773	S	S	*	*			cis	-177.8	166.9	-32.5	-162.6	0	0	0	0	112.7
155	V	39.3	Very low	38.8	Very low	116 Å²	116	131.1 Å²	131.1	70%	0.703	78%	0.776	S	S	*	*			trans	78.4	104.2	156.2	-166.5	0	0	0	0	124
156	N	35.4	Very low	38.9	Very low	162 Å²	162	129.4 Å²	129.4	87%	0.866	77%	0.772	S	S	*	*				40.8	139.8	127	-49.5	-14.2	0	0	0	126.3
157	G	38.9	Very low	39.1	Very low	79 Å²	79	125.4 Å²	125.4	81%	0.814	77%	0.765	S	S	*	*			trans	175.5	105.3	153.6	0	0	0	0	0	116.5
158	F	36.1	Very low	39	Very low	206 Å²	206	122.4 Å²	122.4	90%	0.904	76%	0.761	S	S	*	*			trans	-105.1	-179.6	173.9	-92.2	-87.3	0	0	0	110.9
159	P	41.7	Very low	38.8	Very low	116 Å²	116	125.9 Å²	125.9	75%	0.753	76%	0.762	S	S	*	*			cis	-133	-174.1	-10.8	27.3	-2.5	0	0	0	115.6
160	C	35.6	Very low	39	Very low	106 Å²	106	127.4 Å²	127.4	72%	0.716	77%	0.765	S	S	*	*			trans	-70.7	178	177.6	-48.2	0	0	0	0	115.6
161	P	44.2	Very low	38.9	Very low	132 Å²	132	125.7 Å²	125.7	86%	0.857	76%	0.763	S	S	*	*				-136.2	152.3	91.3	38	-26.7	0	0	0	116.5
162	S	40.7	Very low	38.5	Very low	101 Å²	101	128 Å²	128	71%	0.706	77%	0.767	S	S	*	*			trans	-84.7	-163.8	176.8	-36.9	0	0	0	0	111.5
163	P	45.6	Very low	38.1	Very low	110 Å²	110	126 Å²	126	71%	0.714	76%	0.764	S	S	*	*			cis	-140.7	-173.8	-6.9	37.2	-16.3	0	0	0	117.7
164	T	39.5	Very low	37.9	Very low	118 Å²	118	124.5 Å²	124.5	72%	0.724	77%	0.765	S	S	*	*			trans	96.8	139	141.9	-62.6	0	0	0	0	120
165	F	36.9	Very low	37.7	Very low	192 Å²	192	125.4 Å²	125.4	84%	0.842	77%	0.766	S	S	*	*			cis	-162.2	154.2	-22.3	-121.8	-116.7	0	0	0	104.7
166	A	35.6	Very low	37.4	Very low	68 Å²	68	127.2 Å²	127.2	56%	0.562	77%	0.772	S	S	*	*			cis	-157.5	120.9	-22.3	0	0	0	0	0	111
167	T	39.1	Very low	37.1	Very low	117 Å²	117	123.7 Å²	123.7	72%	0.718	76%	0.76	S	S	*	*				52.4	100.1	126.4	-34.7	0	0	0	0	120.6	F169	T167-F169 HydrophobicContact CG2-CD2 3.5Å; T167-F169 HydrophobicContact CG2-CE2 3.81Å
168	G	31.3	Very low	36.8	Very low	71 Å²	71	132 Å²	132	73%	0.732	77%	0.767	S	S	*	*			trans	-100.3	156.5	135.8	0	0	0	0	0	110.1
169	F	34.1	Very low	36.6	Very low	192 Å²	192	127.5 Å²	127.5	84%	0.842	76%	0.756	S	S	*	*			trans	-139.4	133.1	165.1	-94.8	-75.9	0	0	0	111	T167	T167-F169 HydrophobicContact CG2-CD2 3.5Å; T167-F169 HydrophobicContact CG2-CE2 3.81Å
170	P	42.1	Very low	36.2	Very low	108 Å²	108	129.3 Å²	129.3	70%	0.701	76%	0.755	S	S	*	*			trans	-85	171.5	177.9	36.1	-36.3	0	0	0	112.5
171	P	36	Very low	36.1	Very low	126 Å²	126	130.5 Å²	130.5	82%	0.818	75%	0.75	S	S	*	*			trans	-84.6	157.2	-172.8	34.5	-36.3	0	0	0	113.7
172	I	39.2	Very low	35.5	Very low	166 Å²	166	129.6 Å²	129.6	85%	0.851	74%	0.738	S	S	*	*			trans	-134.3	131.5	171.9	-60.8	179.3	0	0	0	109.3
173	S	30.6	Very low	35	Very low	104 Å²	104	130.6 Å²	130.6	73%	0.727	74%	0.735	S	S	*	*			trans	-68.2	169	176.5	-36.9	0	0	0	0	112.6
174	P	37.4	Very low	34.4	Very low	124 Å²	124	134.1 Å²	134.1	81%	0.805	73%	0.734	S	S	*	*				-144.8	145.9	106.8	30.9	-13.6	0	0	0	115.8
175	T	32.7	Very low	34	Very low	119 Å²	119	137.6 Å²	137.6	73%	0.73	74%	0.735	S	S	*	*			trans	-66	140.1	154.3	20.1	0	0	0	0	110.6
176	D	33.2	Very low	33.7	Very low	154 Å²	154	133.1 Å²	133.1	82%	0.824	73%	0.728	S	S	*	*				-178.9	160.4	101.6	-99.8	-28.4	0	0	0	113.4
177	S	28.3	Very low	33.6	Very low	89 Å²	89	136.2 Å²	136.2	62%	0.622	74%	0.74	S	S	*	*			trans	-73.8	145.7	-175	56	0	0	0	0	114.6
178	W	33.4	Very low	33.1	Very low	252 Å²	252	138.2 Å²	138.2	96%	0.955	75%	0.746	S	S	*	*			trans	-134.3	137.3	139.1	-93.5	88.8	0	0	0	111.2
179	V	31.6	Very low	33.2	Very low	113 Å²	113	139 Å²	139	69%	0.685	75%	0.746	S	S	*	*			trans	-94.2	169.9	-178.3	172.8	0	0	0	0	109.1
180	E	33.7	Very low	33.1	Very low	154 Å²	154	139 Å²	139	72%	0.72	75%	0.748	S	S	*	*			trans	104.7	141.5	166	-64.5	-160	138.1	0	0	116
181	Q	33.1	Very low	32.4	Very low	131 Å²	131	139.1 Å²	139.1	61%	0.612	75%	0.752	S	S	*	*			cis	-168.6	169.2	-29.4	-133.6	178.8	50.9	0	0	106.8
182	N	30.9	Very low	32.1	Very low	112 Å²	112	140.2 Å²	140.2	60%	0.599	76%	0.756	S	S	*	*			trans	67	118.8	149.7	-64.1	-24.2	0	0	0	120.5
183	N	31.2	Very low	31.4	Very low	123 Å²	123	137.7 Å²	137.7	66%	0.658	75%	0.753	S	S	*	*				79.6	141.5	124.4	-70.3	-24.7	0	0	0	118.1
184	R	32.9	Very low	31.4	Very low	183 Å²	183	141.2 Å²	141.2	69%	0.691	76%	0.763	S	S	*	*			cis	-166.2	155.6	9.4	-119.7	167.4	-174.8	-169.6	0	111.1
185	Y	31.1	Very low	30.9	Very low	191 Å²	191	143.3 Å²	143.3	75%	0.749	77%	0.766	S	S	*	*			trans	52.1	119.6	149.1	-65.9	-50.4	0	0	0	120.2
186	S	29.4	Very low	30.6	Very low	98 Å²	98	143.1 Å²	143.1	69%	0.685	77%	0.77	S	S	*	*				87.8	135.5	94.7	-154.3	0	0	0	0	111.4
187	V	35.5	Very low	30.6	Very low	134 Å²	134	143.7 Å²	143.7	81%	0.812	77%	0.772	S	S	*	*			cis	-153.4	157.3	47.9	-92.8	0	0	0	0	112.5
188	D	26.6	Very low	30.4	Very low	159 Å²	159	146.8 Å²	146.8	85%	0.85	78%	0.781	S	S	*	*			trans	-66.3	149.3	171.4	-53.9	-84.3	0	0	0	114.2
189	A	34.4	Very low	30.5	Very low	88 Å²	88	141.9 Å²	141.9	73%	0.727	77%	0.773	S	S	*	*			trans	-160.2	109.9	148.8	0	0	0	0	0	114.4
190	Q	32.4	Very low	30.7	Very low	190 Å²	190	142.7 Å²	142.7	89%	0.888	77%	0.773	S	S	*	*			trans	72.1	110.7	136	-60.7	178.9	7.5	0	0	121
191	S	26.2	Very low	30.6	Very low	111 Å²	111	140.3 Å²	140.3	78%	0.776	77%	0.774	S	S	*	*			trans	-59.3	148.4	157.7	53.4	0	0	0	0	114.6
192	V	30.6	Very low	31.1	Very low	149 Å²	149	142.1 Å²	142.1	90%	0.903	79%	0.788	S	S	*	*			trans	-138.6	113.1	149.3	-89.4	0	0	0	0	110.5
193	S	24.5	Very low	31.3	Very low	113 Å²	113	145.7 Å²	145.7	79%	0.79	80%	0.801	S	S	*	*			trans	-83.5	142.1	165.1	-69.1	0	0	0	0	110.1
194	L	29.9	Very low	31.7	Very low	179 Å²	179	146.6 Å²	146.6	94%	0.937	80%	0.801	S	S	*	*			trans	-136.2	87.8	154	-76.3	-178.9	0	0	0	110
195	L	26.9	Very low	31.8	Very low	168 Å²	168	146.2 Å²	146.2	88%	0.88	81%	0.805	S	S	*	*			trans	-92.4	119.5	151.3	-83.9	170.2	0	0	0	107.4
196	S	27.7	Very low	32.1	Very low	114 Å²	114	140.8 Å²	140.8	80%	0.797	80%	0.799	S	S	*	*			trans	-178.4	120.8	152.5	-83.1	0	0	0	0	109.6
197	L	32.2	Very low	32.5	Very low	166 Å²	166	142.2 Å²	142.2	87%	0.869	80%	0.804	S	S	*	*				-178.4	99.1	118.3	-92.1	177.4	0	0	0	108
198	N	25.2	Very low	32.5	Very low	154 Å²	154	141 Å²	141	82%	0.824	80%	0.801	S	S	*	*			trans	-80.6	153.7	162.4	-69.5	-27.6	0	0	0	109
199	L	34.5	Very low	32.9	Very low	149 Å²	149	138.9 Å²	138.9	78%	0.78	80%	0.799	S	S	*	*			trans	-155.6	106.6	147.3	-96.9	131.4	0	0	0	108
200	D	36.7	Very low	33	Very low	130 Å²	130	141.7 Å²	141.7	70%	0.695	80%	0.801	S	S	*	*			trans	46.2	116.6	136.8	-50.6	-32.1	0	0	0	119.2
201	S	30.8	Very low	33.3	Very low	104 Å²	104	138.3 Å²	138.3	73%	0.727	80%	0.795	S	S	*	*				72.3	111	50.9	-56.3	0	0	0	0	113.9
202	D	43.3	Very low	33.6	Very low	170 Å²	170	138.4 Å²	138.4	91%	0.909	79%	0.791	S	S	*	*			trans	-164.1	128.8	136.3	-95.7	-28	0	0	0	110.6
203	E	35.8	Very low	33.8	Very low	186 Å²	186	135.3 Å²	135.3	87%	0.869	78%	0.782	S	S	*	*			trans	-80	171	164.7	-64.9	-175.8	101.7	0	0	109.1
204	E	38.4	Very low	34.4	Very low	142 Å²	142	136 Å²	136	66%	0.664	79%	0.787	S	S	*	*			cis	-158	138	41	-106.6	-156.6	140.2	0	0	107.4
205	K	36.6	Very low	34.8	Very low	176 Å²	176	130.4 Å²	130.4	77%	0.765	77%	0.772	S	S	*	*				88.1	153.6	78.5	-165.1	-175.2	-176.8	-177.6	0	115
206	A	36.6	Very low	35.3	Very low	77 Å²	77	131.9 Å²	131.9	64%	0.636	77%	0.774	S	S	*	*			trans	88.9	81.6	161.9	0	0	0	0	0	120.4
207	T	37.7	Very low	35.7	Very low	128 Å²	128	136.2 Å²	136.2	79%	0.785	78%	0.779	S	S	*	*				57.9	122.8	119.5	56.8	0	0	0	0	123.1
208	S	34.9	Very low	35.6	Very low	107 Å²	107	134.6 Å²	134.6	75%	0.748	78%	0.775	S	S	*	*				108.6	139.2	121.8	73.2	0	0	0	0	122.6
209	S	36.8	Very low	36.1	Very low	115 Å²	115	132.3 Å²	132.3	80%	0.804	77%	0.771	S	S	*	*			trans	80.2	119.5	155.4	26.8	0	0	0	0	123.4
210	L	35.5	Very low	36	Very low	147 Å²	147	130.1 Å²	130.1	77%	0.77	77%	0.768	S	S	*	*			trans	-48.8	175.5	149.7	-98.6	71	0	0	0	114
211	P	38.6	Very low	35.8	Very low	119 Å²	119	129.1 Å²	129.1	77%	0.773	77%	0.767	S	S	*	*			cis	-131.3	174.5	28.1	17.7	10.3	0	0	0	115
212	T	32.1	Very low	35.9	Very low	113 Å²	113	132.5 Å²	132.5	69%	0.693	77%	0.771	S	S	*	*			cis	98.9	108.3	33.4	-43	0	0	0	0	115.9
213	A	35.8	Very low	35.5	Very low	85 Å²	85	129 Å²	129	70%	0.702	76%	0.76	S	S	*	*			trans	81.5	142	145.1	0	0	0	0	0	125.2
214	S	37.4	Very low	35.2	Very low	128 Å²	128	127 Å²	127	90%	0.895	76%	0.76	S	S	*	*			trans	73.5	142.9	157.8	74.1	0	0	0	0	119.4
215	G	36.9	Very low	35	Very low	61 Å²	61	127.8 Å²	127.8	63%	0.629	77%	0.769	S	S	*	*			cis	168.7	155.4	-9.7	0	0	0	0	0	114
216	H	37.7	Very low	34.8	Very low	198 Å²	198	124.7 Å²	124.7	92%	0.917	77%	0.769	S	S	*	*			trans	61.3	156.1	170.9	-54.9	-85.6	0	0	0	116.6
217	K	36.2	Very low	34.9	Very low	206 Å²	206	130.1 Å²	130.1	90%	0.896	78%	0.782	S	S	*	*			cis	-157.5	169.3	27.3	-162.2	171.4	177.1	-178.9	0	112.3
218	V	30.7	Very low	34.6	Very low	132 Å²	132	132.7 Å²	132.7	80%	0.8	78%	0.784	S	S	*	*			trans	-95.7	144.8	-169.5	173.6	0	0	0	0	114.8
219	S	35.5	Very low	34.6	Very low	105 Å²	105	134.7 Å²	134.7	73%	0.734	79%	0.792	S	S	*	*			trans	-176.4	122.6	143	52.4	0	0	0	0	109
220	S	32.4	Very low	34.2	Very low	103 Å²	103	133.8 Å²	133.8	72%	0.72	79%	0.786	S	S	*	*				63.7	136.4	77	-63	0	0	0	0	113
221	V	32.2	Very low	34.1	Very low	109 Å²	109	132 Å²	132	66%	0.661	78%	0.78	S	S	*	*			cis	-170	169.4	7.8	116.8	0	0	0	0	109.7
222	E	32.8	Very low	34	Very low	176 Å²	176	135.1 Å²	135.1	82%	0.822	79%	0.785	S	S	*	*			trans	67.3	150.5	160.4	-88.8	151.9	-156.1	0	0	119.5
223	S	35.3	Very low	33.8	Very low	97 Å²	97	138.5 Å²	138.5	68%	0.678	79%	0.793	S	S	*	*			cis	-149.3	159.7	-0.6	-73.4	0	0	0	0	110.6
224	V	29.1	Very low	33.9	Very low	143 Å²	143	141.7 Å²	141.7	87%	0.867	80%	0.804	S	S	*	*			trans	-126.9	130.8	164	-167.7	0	0	0	0	108.7
225	N	35.4	Very low	33.7	Very low	159 Å²	159	143.2 Å²	143.2	85%	0.85	79%	0.794	S	S	*	*			trans	-110.1	150.6	178.7	-94.1	6.5	0	0	0	112.5
226	S	31.2	Very low	33.8	Very low	111 Å²	111	147.3 Å²	147.3	78%	0.776	81%	0.806	S	S	*	*			trans	-91.2	166.3	-172.4	-45.3	0	0	0	0	114.6
227	E	39.7	Very low	33.6	Very low	191 Å²	191	143.3 Å²	143.3	89%	0.893	79%	0.792	S	S	*	*			trans	163.5	103.7	145.9	-93.6	170	171.8	0	0	106.1
228	E	30.8	Very low	33.5	Very low	181 Å²	181	141.1 Å²	141.1	85%	0.846	79%	0.789	S	S	*	*				59.7	100	62	-163.5	-179.2	179.6	0	0	115.5
229	V	34.8	Very low	33.8	Very low	149 Å²	149	140.4 Å²	140.4	90%	0.903	79%	0.787	S	S	*	*			trans	-147	135.1	140.9	177	0	0	0	0	109
230	S	28.2	Very low	33.6	Very low	96 Å²	96	140.4 Å²	140.4	67%	0.671	79%	0.787	S	S	*	*			trans	-102.9	173.3	177.6	176.4	0	0	0	0	111.4
231	V	33.7	Very low	33.8	Very low	109 Å²	109	144 Å²	144	66%	0.661	79%	0.792	S	S	*	*				148.1	118.3	127.4	169.2	0	0	0	0	115.4
232	Q	35.5	Very low	33.6	Very low	185 Å²	185	144.1 Å²	144.1	86%	0.864	80%	0.798	S	S	*	*			trans	78.5	122.1	148.8	-76.5	158.2	19	0	0	124.1
233	E	29.2	Very low	33.7	Very low	185 Å²	185	142.2 Å²	142.2	86%	0.864	80%	0.798	S	S	*	*			trans	-76.2	159.7	160.8	-51.9	169.9	118.7	0	0	112
234	T	37.5	Very low	33.4	Very low	151 Å²	151	146.2 Å²	146.2	93%	0.926	81%	0.807	S	S	*	*			trans	-137.8	140	148	35	0	0	0	0	110.9
235	K	32.3	Very low	33.6	Very low	161 Å²	161	149.4 Å²	149.4	70%	0.7	80%	0.803	S	S	*	*			trans	-114.2	140.1	-170.4	170	-165.9	172	-156.6	0	109.7	D237	K235-D237 WeakPolarHBondContact CE-OD1 3.28Å; K235-D237 IonicContact NZ-OD1 3.65Å; K235-D237 PolarHBondContact NZ-OD1 3.44Å; K235-D237 IonicContact NZ-OD2 2.7Å
236	V	39.5	Very low	33.3	Very low	146 Å²	146	146.5 Å²	146.5	89%	0.885	80%	0.795	S	S	*	*			trans	-140.1	139.6	162.4	-176.3	0	0	0	0	110
237	D	34.6	Very low	33.5	Very low	114 Å²	114	150.9 Å²	150.9	61%	0.61	80%	0.795	S	S	*	*			trans	-92.4	168	-160.6	-62.3	-93.5	0	0	0	116.6	K235	K235-D237 WeakPolarHBondContact CE-OD1 3.28Å; K235-D237 IonicContact NZ-OD1 3.65Å; K235-D237 PolarHBondContact NZ-OD1 3.44Å; K235-D237 IonicContact NZ-OD2 2.7Å
238	L	34.2	Very low	33	Very low	161 Å²	161	148.5 Å²	148.5	84%	0.843	79%	0.788	S	S	*	*			trans	-67.5	168.8	168.8	-74	149.7	0	0	0	112.5
239	P	36.8	Very low	32.9	Very low	116 Å²	116	145.1 Å²	145.1	75%	0.753	78%	0.783	S	S	*	*				-144.5	148.7	102.6	36.9	-22.8	0	0	0	116
240	S	30.5	Very low	32.6	Very low	105 Å²	105	144 Å²	144	73%	0.734	78%	0.782	S	S	*	*			trans	-87.7	139.5	167.1	52.9	0	0	0	0	111.9
241	H	37.7	Very low	32.7	Very low	178 Å²	178	142 Å²	142	82%	0.824	78%	0.777	S	S	*	*			trans	-134.9	112.4	163.3	-87.5	-71.8	0	0	0	112.4
242	S	27.3	Very low	32.7	Very low	113 Å²	113	146.4 Å²	146.4	79%	0.79	79%	0.787	S	S	*	*			trans	-87.3	136.3	162.9	49.9	0	0	0	0	110.4
243	T	34	Very low	32.5	Very low	135 Å²	135	141.9 Å²	141.9	83%	0.828	78%	0.776	S	S	*	*			trans	-147.5	121.6	160	-61	0	0	0	0	110.2
244	E	29.5	Very low	32.9	Very low	182 Å²	182	141.7 Å²	141.7	85%	0.85	78%	0.775	S	S	*	*			trans	-70.8	144.7	171.5	-54.4	165.2	111.9	0	0	111.3
245	R	32.9	Very low	32.8	Very low	210 Å²	210	141.6 Å²	141.6	79%	0.792	77%	0.769	S	S	*	*			trans	-159	109.7	141.2	-127.3	173.3	-179.1	175.2	2.2	114.7
246	S	29.3	Very low	33.2	Very low	97 Å²	97	140.3 Å²	140.3	68%	0.678	78%	0.775	S	S	*	*			trans	-55.5	137.7	158.1	167	0	0	0	0	111.5
247	R	36.6	Very low	33.1	Very low	204 Å²	204	139.7 Å²	139.7	77%	0.77	77%	0.766	S	S	*	*			trans	-146.4	135	145.1	-77.3	-152.2	174.8	97.8	-1	111.9
248	N	29.3	Very low	33.2	Very low	140 Å²	140	140 Å²	140	75%	0.749	77%	0.768	S	S	*	*			trans	-84.2	164	-178.7	-79.5	-12	0	0	0	113.9
249	C	27.3	Very low	33.4	Very low	111 Å²	111	139.7 Å²	139.7	75%	0.75	76%	0.762	S	S	*	*			trans	74.4	124.9	141.3	-76.2	0	0	0	0	122.4
250	S	29	Very low	33.4	Very low	124 Å²	124	140.3 Å²	140.3	87%	0.867	76%	0.755	S	S	*	*				83.1	139.3	128.6	72.2	0	0	0	0	120.9
251	G	30.1	Very low	33.7	Very low	55 Å²	55	143 Å²	143	57%	0.567	76%	0.755	S	S	*	*			trans	141.8	116.9	148.6	0	0	0	0	0	116.4
252	F	33.4	Very low	33.6	Very low	201 Å²	201	139.6 Å²	139.6	88%	0.882	75%	0.747	S	S	*	*			trans	63.4	121.2	150.7	-54.2	-82.6	0	0	0	118.1
253	S	32.8	Very low	33.9	Very low	91 Å²	91	141.6 Å²	141.6	64%	0.636	75%	0.748	S	S	*	*			cis	102.9	122.7	27.5	72.8	0	0	0	0	113.7
254	E	37.6	Very low	33.8	Very low	181 Å²	181	144.3 Å²	144.3	85%	0.846	75%	0.749	S	S	*	*			trans	176.5	112	137.7	-97.9	166.9	-175.7	0	0	108.3
255	N	34.8	Very low	34.2	Very low	148 Å²	148	140.5 Å²	140.5	79%	0.791	74%	0.739	S	S	*	*				57.7	110.8	94.4	-85.5	-9.4	0	0	0	113.9
256	T	39.8	Very low	34.3	Very low	134 Å²	134	136.1 Å²	136.1	82%	0.822	74%	0.741	S	S	*	*				175.9	165.9	80.9	38.1	0	0	0	0	108.9
257	N	37.3	Very low	34.5	Very low	133 Å²	133	135 Å²	135	71%	0.711	75%	0.745	S	S	*	*			cis	-168	170.4	-29	-166.7	10.1	0	0	0	108.6
258	N	38	Very low	34.4	Very low	122 Å²	122	131.3 Å²	131.3	65%	0.652	75%	0.75	S	S	*	*			trans	75.7	107	163.8	-57.2	-26.5	0	0	0	118.5
259	H	37.6	Very low	34.3	Very low	154 Å²	154	130.7 Å²	130.7	71%	0.713	75%	0.752	S	S	*	*				85.5	136.2	94	-96.3	20.5	0	0	0	113.9
260	H	37.7	Very low	34.5	Very low	129 Å²	129	135.7 Å²	135.7	60%	0.597	76%	0.761	S	S	*	*			cis	-149	144.7	10	-114.8	-56	0	0	0	110.2
261	Q	35.9	Very low	34.6	Very low	160 Å²	160	134.1 Å²	134.1	75%	0.748	75%	0.746	S	S	*	*				35.3	143.5	125.3	-67.5	-172.4	23.9	0	0	120.7
262	V	34.8	Very low	34.7	Very low	107 Å²	107	139.3 Å²	139.3	65%	0.648	76%	0.758	S	S	*	*			cis	-168.8	152.9	17.5	101.4	0	0	0	0	113.7
263	L	34	Very low	34.8	Very low	155 Å²	155	134.1 Å²	134.1	81%	0.812	74%	0.744	S	S	*	*			trans	52.4	128.4	157.9	-56.7	168.5	0	0	0	120.1
264	K	31.8	Very low	34.8	Very low	193 Å²	193	137.3 Å²	137.3	84%	0.839	75%	0.753	S	S	*	*			cis	66.5	153	23.7	-86.6	-164.9	178.3	-177.7	0	116.9
265	P	38.2	Very low	34.6	Very low	101 Å²	101	132.6 Å²	132.6	66%	0.656	74%	0.74	S	S	*	*			cis	-145.2	-170.2	-27.8	40.5	-21.3	0	0	0	115.5
266	S	35.2	Very low	34.3	Very low	119 Å²	119	132.3 Å²	132.3	83%	0.832	74%	0.739	S	S	*	*			trans	66.3	148.5	153	60.6	0	0	0	0	120.2
267	G	34	Very low	34.1	Very low	73 Å²	73	133.6 Å²	133.6	75%	0.753	74%	0.741	S	S	*	*			cis	143.4	133.6	-9.5	0	0	0	0	0	113.4
268	S	33.8	Very low	33.7	Very low	127 Å²	127	135.2 Å²	135.2	89%	0.888	75%	0.749	S	S	*	*			trans	-179	144.8	152.2	54.2	0	0	0	0	111.8
269	T	27.4	Very low	33.4	Very low	126 Å²	126	133.6 Å²	133.6	77%	0.773	75%	0.748	S	S	*	*			trans	-107.2	139.1	-171.8	-52.1	0	0	0	0	111.6	T271	T269-T271 WeakPolarHBondContact CG2-OG1 3.36Å
270	F	31.4	Very low	33	Very low	216 Å²	216	139 Å²	139	95%	0.947	76%	0.762	S	S	*	*			trans	-145.6	153.6	152.1	-151.7	-98.3	0	0	0	110.5
271	T	30.9	Very low	32.7	Very low	91 Å²	91	139.7 Å²	139.7	56%	0.558	77%	0.769	S	S	*	*			trans	-139.7	134.8	-142	-62.7	0	0	0	0	114.1	T269	T269-T271 WeakPolarHBondContact CG2-OG1 3.36Å
272	M	32.8	Very low	32.3	Very low	164 Å²	164	137 Å²	137	81%	0.808	77%	0.767	S	S	*	*			trans	66.7	163.3	160.1	-68.8	-98.5	92.9	0	0	117.9
273	P	35.7	Very low	32.1	Very low	92 Å²	92	139.3 Å²	139.3	60%	0.597	78%	0.776	S	S	*	*			cis	-139	164.4	-44.1	37.2	-22.9	0	0	0	113.8
274	L	32.7	Very low	31.8	Very low	158 Å²	158	138 Å²	138	83%	0.827	77%	0.774	S	S	*	*			trans	-167.4	136.2	133.8	-131.5	74	0	0	0	113.8
275	S	32.6	Very low	31.9	Very low	82 Å²	82	134.4 Å²	134.4	57%	0.573	77%	0.768	S	S	*	*			trans	41.7	127.3	144.1	60.2	0	0	0	0	122.7
276	D	29.7	Very low	31.5	Very low	142 Å²	142	135.3 Å²	135.3	76%	0.759	77%	0.772	S	S	*	*			trans	66.5	112.1	138.9	-49.7	-17.2	0	0	0	119.8
277	N	35	Very low	31.4	Very low	161 Å²	161	138.1 Å²	138.1	86%	0.861	77%	0.772	S	S	*	*				-171.5	147	111.3	-97.7	-59.6	0	0	0	112.6	S279	N277-S279 PolarHBondContact O-N 2.85Å
278	N	29.7	Very low	31.1	Very low	167 Å²	167	139.4 Å²	139.4	89%	0.893	77%	0.769	S	S	*	*			trans	-63.3	123.8	175.5	-68.2	-53.6	0	0	0	111.2
279	S	31.6	Very low	31.1	Very low	88 Å²	88	140.3 Å²	140.3	62%	0.615	77%	0.769	S	S	*	*			trans	-139.4	108	168	-170	0	0	0	0	110.3	N277 I281	N277-S279 PolarHBondContact O-N 2.85Å; S279-I281 PolarHBondContact O-N 2.95Å
280	W	28.6	Very low	31.2	Very low	269 Å²	269	140.9 Å²	140.9	100%	1.019	77%	0.768	S	S	*	*			trans	-75.8	98.7	164.7	-72.7	-3.8	0	0	0	108.3
281	I	31.7	Very low	31.2	Very low	143 Å²	143	142 Å²	142	73%	0.733	77%	0.767	S	S	*	*			trans	-121.9	134.7	166.9	-71.8	179	0	0	0	109	S279	S279-I281 PolarHBondContact O-N 2.95Å
282	S	27.1	Very low	31.3	Very low	103 Å²	103	143.6 Å²	143.6	72%	0.72	78%	0.776	S	S	*	*			trans	-62.9	135.9	-176.3	-46.7	0	0	0	0	112.8
283	D	29.4	Very low	31.1	Very low	156 Å²	156	143.9 Å²	143.9	83%	0.834	78%	0.775	S	S	*	*			trans	-122.2	108.8	153.1	-94.5	-40	0	0	0	109.8
284	V	29.3	Very low	30.9	Very low	127 Å²	127	150.7 Å²	150.7	77%	0.77	79%	0.789	S	S	*	*			trans	-90.7	102.1	168.9	171.3	0	0	0	0	107.2
285	V	33	Very low	30.8	Very low	118 Å²	118	151.9 Å²	151.9	72%	0.715	79%	0.788	S	S	*	*			trans	-94.7	101	170.4	178.2	0	0	0	0	109.6	Q287	V285-Q287 HydrophobicContact CG1-CG 4.46Å; V285-Q287 PolarHBondContact O-N 2.99Å
286	T	29.4	Very low	31.1	Very low	120 Å²	120	154.2 Å²	154.2	74%	0.736	80%	0.799	S	S	*	*			trans	-67.3	119.8	169.7	-48.4	0	0	0	0	110
287	Q	32.8	Very low	31.3	Very low	177 Å²	177	154.6 Å²	154.6	83%	0.827	80%	0.801	S	S	*	*			trans	-127.3	116	157.1	-73.6	-164.7	7.9	0	0	110.9	V285	V285-Q287 HydrophobicContact CG1-CG 4.46Å; V285-Q287 PolarHBondContact O-N 2.99Å
288	S	27.6	Very low	31.3	Very low	100 Å²	100	152.6 Å²	152.6	70%	0.699	80%	0.797	S	S	*	*			trans	-81.5	136	174.2	52.6	0	0	0	0	111.1
289	V	34.2	Very low	31.7	Very low	146 Å²	146	152.8 Å²	152.8	89%	0.885	79%	0.792	S	S	*	*			trans	-138	133.3	151	-120.2	0	0	0	0	109.9
290	N	30	Very low	32	Very low	139 Å²	139	155.2 Å²	155.2	74%	0.743	80%	0.798	S	S	*	*			trans	-77.7	141.4	-168.6	-57	-67.9	0	0	0	111.8
291	Y	30.8	Very low	32.3	Very low	239 Å²	239	153 Å²	153	94%	0.937	79%	0.789	S	S	*	*			trans	-130.5	136.4	147.8	-107.4	-88.5	0	0	0	111.2
292	V	34.2	Very low	32.6	Very low	124 Å²	124	150 Å²	150	75%	0.752	78%	0.781	S	S	*	*			trans	-86.6	127.9	-160.4	171.6	0	0	0	0	111.8	R294	V292-R294 PolarHBondContact O-N 3.37Å
293	H	27.1	Very low	33	Very low	170 Å²	170	153 Å²	153	79%	0.787	78%	0.783	S	S	*	*			trans	-66.4	127.5	166.1	-115.5	-45.9	0	0	0	110.8
294	R	33.2	Very low	33.4	Very low	235 Å²	235	151.6 Å²	151.6	89%	0.887	79%	0.786	S	S	*	*			trans	-123.5	118.3	149.3	-81.3	-167	179.8	-174.5	2.3	109.6	V292	V292-R294 PolarHBondContact O-N 3.37Å
295	K	30.3	Very low	33.8	Very low	184 Å²	184	150.3 Å²	150.3	80%	0.8	78%	0.783	S	S	*	*			trans	-92	142.2	161.2	-82.1	177.5	169.3	178	0	108.4
296	T	37.4	Very low	33.9	Very low	130 Å²	130	152 Å²	152	80%	0.798	79%	0.787	S	S	*	*			trans	-155.6	99	152.7	15.9	0	0	0	0	109.4
297	D	34.4	Very low	34.1	Very low	150 Å²	150	151 Å²	151	80%	0.802	79%	0.785	S	S	*	*			trans	36.2	130.8	144.9	-50.5	-32	0	0	0	123
298	P	35.5	Very low	34.1	Very low	120 Å²	120	149.4 Å²	149.4	78%	0.779	78%	0.782	S	S	*	*			trans	-97.9	153.8	163.7	38.3	-31.5	0	0	0	112.2
299	Q	37.5	Very low	34.4	Very low	170 Å²	170	150.8 Å²	150.8	79%	0.794	78%	0.781	S	S	*	*			trans	-170.1	157.1	156.7	-106.6	-65	-0.2	0	0	112.2
300	L	38.7	Very low	34.3	Very low	140 Å²	140	150.8 Å²	150.8	73%	0.733	78%	0.776	S	S	*	*			trans	71.2	109.1	174.5	-49.1	-179.2	0	0	0	116.6
301	R	34.3	Very low	34.7	Very low	222 Å²	222	150.8 Å²	150.8	84%	0.838	78%	0.776	S	S	*	*				73.7	133.4	75.3	-95	-167.9	170.7	-152.4	-4.8	113.3
302	S	38.2	Very low	34.8	Very low	80 Å²	80	149 Å²	149	56%	0.559	78%	0.775	S	S	*	*			cis	-153.8	161.2	9.9	-34	0	0	0	0	112.6
303	E	35.5	Very low	34.9	Very low	165 Å²	165	154.2 Å²	154.2	77%	0.771	78%	0.782	S	S	*	*			trans	52.2	107.1	138.5	-65.8	153.7	-140.3	0	0	120.5
304	S	38.2	Very low	35.2	Very low	127 Å²	127	156.1 Å²	156.1	89%	0.888	78%	0.782	S	S	*	*				-168	134.4	101.3	27.8	0	0	0	0	111.7
305	S	36.4	Very low	35.1	Very low	101 Å²	101	148.9 Å²	148.9	71%	0.706	78%	0.781	S	S	*	*			trans	-79.8	146.4	176.6	50.9	0	0	0	0	111.7
306	N	35.9	Very low	35.4	Very low	152 Å²	152	145.3 Å²	145.3	81%	0.813	78%	0.779	S	S	*	*				-175.2	142.5	119.2	-91.5	-17.3	0	0	0	114.1
307	S	34.5	Very low	35.4	Very low	99 Å²	99	144.6 Å²	144.6	69%	0.692	77%	0.769	S	S	*	*			trans	54.8	89.6	141.6	-169.4	0	0	0	0	117.9
308	L	32.7	Very low	35.8	Very low	144 Å²	144	142 Å²	142	75%	0.754	76%	0.755	S	S	*	*				96.7	129.3	83.1	-86	163.6	0	0	0	113.4
309	N	33.9	Very low	36.2	Very low	129 Å²	129	142.5 Å²	142.5	69%	0.69	75%	0.752	S	S	*	*			trans	80.6	131.5	153.4	-55.4	-13.9	0	0	0	120.5
310	D	30.9	Very low	36.4	Very low	146 Å²	146	139 Å²	139	78%	0.781	74%	0.738	S	S	*	*			trans	54.1	98.3	146.7	-57	-34.3	0	0	0	120.1
311	L	38.2	Very low	36.7	Very low	140 Å²	140	138.6 Å²	138.6	73%	0.733	73%	0.731	S	S	*	*			trans	-153.8	43.1	140.1	-113.1	165	0	0	0	114.4	R313 R314	L311-R313 PolarHBondContact O-N 3.33Å; L311-R314 HydrophobicContact CD2-CB 4.34Å
312	H	34.2	Very low	37	Very low	200 Å²	200	135.1 Å²	135.1	93%	0.926	72%	0.724	S	S	*	*			trans	-79.3	52.6	166.3	-122.1	-43.3	0	0	0	111.4
313	R	36.1	Very low	37.1	Very low	235 Å²	235	134.7 Å²	134.7	89%	0.887	72%	0.715	S	S	*	*			trans	-172.2	77	174.4	-112.5	-178.9	-167.8	-151.4	5.2	113.1	L311	L311-R313 PolarHBondContact O-N 3.33Å
314	R	33.1	Very low	37.4	Very low	210 Å²	210	131.9 Å²	131.9	79%	0.792	70%	0.704	S	S	*	*			trans	-156.1	91.7	160.7	-114.4	-178.3	-172.9	-79.9	1	110.5	L311 D318	L311-R314 HydrophobicContact CD2-CB 4.34Å; R314-D318 IonicContact NH1-OD2 3.95Å
315	G	31.5	Very low	37.4	Very low	83 Å²	83	131.8 Å²	131.8	86%	0.856	69%	0.694	S	S	*	*	S	Bend	trans	-177.6	42.9	-174.9	0	0	0	0	0	112.1
316	S	36.1	Very low	37.6	Very low	109 Å²	109	131.2 Å²	131.2	76%	0.762	68%	0.682	S	S	*	*	S	Bend	trans	175.8	97.1	171.5	177.3	0	0	0	0	108.2
317	L	38.1	Very low	38	Very low	114 Å²	114	128.8 Å²	128.8	60%	0.597	67%	0.672	S	S	*	*	S	Bend	trans	-178.9	-23.4	146.3	-129.4	75.6	0	0	0	114.8
318	D	41.9	Very low	38.2	Very low	95 Å²	95	131.5 Å²	131.5	51%	0.508	67%	0.674	S	S	.	*	S	Bend	trans	-81.4	-28.5	-163.2	-69.2	-44	0	0	0	114.5	R314 N320 K321	R314-D318 IonicContact NH1-OD2 3.95Å; D318-N320 PolarHBondContact O-N 3.05Å; D318-N320 VanDerWaalsContact O-N 3.12Å; D318-K321 PolarHBondContact O-N 3.23Å
319	D	43.7	Very low	38.3	Very low	132 Å²	132	129.2 Å²	129.2	71%	0.706	67%	0.669	S	S	*	*	H	α-helix	trans	-56	-32.7	175.5	-56	-28.3	0	0	0	113	K321 L323	D319-K321 VanDerWaalsContact C-N 3.28Å; D319-K321 PolarHBondContact O-N 2.96Å; D319-L323 VanDerWaalsContact O-CG 3.28Å; D319-L323 WeakPolarHBondContact O-CG 3.19Å; D319-L323 PolarHBondContact O-N 3.17Å
320	N	43.2	Very low	38.6	Very low	95 Å²	95	128 Å²	128	51%	0.508	66%	0.662	S	S	.	*	H	α-helix	trans	-70.1	-24.2	-178.3	-68.9	-29.9	0	0	0	112.7	D318 I324	D318-N320 PolarHBondContact O-N 3.05Å; D318-N320 VanDerWaalsContact O-N 3.12Å; N320-I324 WeakPolarHBondContact O-CD1 3.49Å; N320-I324 WeakPolarHBondContact O-CG1 3.01Å; N320-I324 PolarHBondContact O-N 3.13Å; N320-I324 VanDerWaalsContact O-N 3.1Å
321	K	44.3	Very low	38.8	Very low	132 Å²	132	126 Å²	126	57%	0.574	66%	0.66	S	S	*	*	H	α-helix	trans	-80.8	-35.7	-178.2	-71	-179.6	179.3	172	0	112.7	D318 D319	D318-K321 PolarHBondContact O-N 3.23Å; D319-K321 VanDerWaalsContact C-N 3.28Å; D319-K321 PolarHBondContact O-N 2.96Å
322	E	40.5	Very low	38.6	Very low	150 Å²	150	123.2 Å²	123.2	70%	0.701	65%	0.652	S	S	*	*	H	α-helix	trans	-66.6	-40.3	168.7	-68.5	-161	150	0	0	111.1	I324 N325 I326	E322-I324 PolarHBondContact O-N 3.44Å; E322-N325 PolarHBondContact O-N 2.84Å; E322-I326 WeakPolarHBondContact O-CD1 3.44Å; E322-I326 WeakPolarHBondContact O-CG1 3.41Å; E322-I326 PolarHBondContact O-N 3.03Å
323	L	40.6	Very low	38.9	Very low	70 Å²	70	118.5 Å²	118.5	37%	0.366	64%	0.642	S	S	.	*	H	α-helix	trans	-62.4	-38.1	177.9	-71.3	172.4	0	0	0	113.2	D319 I326 V327	D319-L323 VanDerWaalsContact O-CG 3.28Å; D319-L323 WeakPolarHBondContact O-CG 3.19Å; D319-L323 PolarHBondContact O-N 3.17Å; L323-I326 PolarHBondContact O-N 3.02Å; L323-V327 VanDerWaalsContact O-CG2 3.31Å; L323-V327 WeakPolarHBondContact O-CG2 3.35Å; L323-V327 PolarHBondContact O-N 3.31Å
324	I	41.3	Very low	39.2	Very low	107 Å²	107	113.4 Å²	113.4	55%	0.549	63%	0.632	S	S	.	*	H	α-helix	trans	-63.7	-41.8	179	-73.9	162.3	0	0	0	111.7	N320 E322 I326 V327 Q328	N320-I324 WeakPolarHBondContact O-CD1 3.49Å; N320-I324 WeakPolarHBondContact O-CG1 3.01Å; N320-I324 PolarHBondContact O-N 3.13Å; N320-I324 VanDerWaalsContact O-N 3.1Å; E322-I324 PolarHBondContact O-N 3.44Å; I324-I326 VanDerWaalsContact C-N 3.3Å; I324-I326 PolarHBondContact O-N 3.13Å; I324-V327 PolarHBondContact O-N 2.87Å; I324-Q328 PolarHBondContact O-N 3.18Å
325	N	37.6	Very low	39.9	Very low	124 Å²	124	108.2 Å²	108.2	66%	0.663	63%	0.628	S	S	*	*	H	α-helix	trans	-69.1	-26.4	175.2	-84.8	-6.8	0	0	0	113.3	E322 C329	E322-N325 PolarHBondContact O-N 2.84Å; N325-C329 PolarHBondContact O-SG 3.36Å
326	I	41.8	Very low	40.5	Very low	90 Å²	90	111.2 Å²	111.2	46%	0.462	62%	0.62	S	S	.	*	H	α-helix	trans	-80.4	-31.2	177.5	-66.3	165.3	0	0	0	111.5	E322 L323 I324 N330	E322-I326 WeakPolarHBondContact O-CD1 3.44Å; E322-I326 WeakPolarHBondContact O-CG1 3.41Å; E322-I326 PolarHBondContact O-N 3.03Å; L323-I326 PolarHBondContact O-N 3.02Å; I324-I326 VanDerWaalsContact C-N 3.3Å; I324-I326 PolarHBondContact O-N 3.13Å; I326-N330 PolarHBondContact O-ND2 3.21Å
327	V	43	Very low	40.6	Very low	100 Å²	100	112.6 Å²	112.6	61%	0.606	62%	0.618	S	S	*	*	H	α-helix	trans	-74.8	-35.6	178.7	170.2	0	0	0	0	112.3	L323 I324 C329 N330	L323-V327 VanDerWaalsContact O-CG2 3.31Å; L323-V327 WeakPolarHBondContact O-CG2 3.35Å; L323-V327 PolarHBondContact O-N 3.31Å; I324-V327 PolarHBondContact O-N 2.87Å; V327-C329 PolarHBondContact O-N 2.9Å; V327-C329 VanDerWaalsContact O-N 3.1Å; V327-N330 PolarHBondContact O-N 2.86Å
328	Q	39.2	Very low	40.9	Very low	156 Å²	156	109.8 Å²	109.8	73%	0.729	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-23.1	178.2	-154.5	82.2	2.8	0	0	113.4	I324	I324-Q328 PolarHBondContact O-N 3.18Å
329	C	35.2	Very low	41.1	Very low	97 Å²	97	114.1 Å²	114.1	66%	0.655	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	5.9	-176.7	-62.1	0	0	0	0	114.7	N325 V327	N325-C329 PolarHBondContact O-SG 3.36Å; V327-C329 PolarHBondContact O-N 2.9Å; V327-C329 VanDerWaalsContact O-N 3.1Å
330	N	40.8	Very low	41.2	Very low	103 Å²	103	114 Å²	114	55%	0.551	61%	0.607	S	S	*	*			trans	-111.1	19	-171.5	-59.7	-36.5	0	0	0	114	I326 V327 S332	I326-N330 PolarHBondContact O-ND2 3.21Å; V327-N330 PolarHBondContact O-N 2.86Å; N330-S332 PolarHBondContact O-N 3.46Å
331	S	35	Very low	41.2	Very low	103 Å²	103	114.4 Å²	114.4	72%	0.72	60%	0.604	S	S	*	*			trans	-79.3	106.7	178.5	-171	0	0	0	0	112.3
332	S	34.6	Very low	41.7	Very low	83 Å²	83	110.8 Å²	110.8	58%	0.58	59%	0.592	S	S	*	*	S	Bend	trans	60.8	114.7	148.1	60.4	0	0	0	0	120.4	N330	N330-S332 PolarHBondContact O-N 3.46Å
333	S	39.9	Very low	42.4	Very low	101 Å²	101	109.8 Å²	109.8	71%	0.706	59%	0.587	S	S	*	*			trans	111.5	-15	144.9	-48.5	0	0	0	0	119.7	S335	S333-S335 PolarHBondContact O-N 3.44Å
334	D	41	Very low	43.1	Very low	128 Å²	128	111.5 Å²	111.5	68%	0.684	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	37.7	-165.8	-65.8	-23.5	0	0	0	116.8	D338	D334-D338 WeakPolarHBondContact O-CB 3.41Å
335	S	49.9	Very low	43.8	Very low	100 Å²	100	108.6 Å²	108.6	70%	0.699	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	-33.1	179.8	55.6	0	0	0	0	115.6	S333	S333-S335 PolarHBondContact O-N 3.44Å
336	E	43	Very low	44.7	Very low	147 Å²	147	105.9 Å²	105.9	69%	0.687	57%	0.566	S	S	*	*	H	α-helix	trans	-101.7	-37.3	-170.7	-164.9	168.2	-160.3	0	0	113	D338	E336-D338 VanDerWaalsContact C-N 3.28Å
337	L	38.9	Very low	45.4	Very low	137 Å²	137	105.6 Å²	105.6	72%	0.717	57%	0.565	S	S	*	*	H	α-helix	trans	-68.5	-30.8	170	-65	177.8	0	0	0	111.8	K340 F341	L337-K340 PolarHBondContact O-N 3.41Å; L337-F341 WeakPolarHBondContact O-CB 3.34Å; L337-F341 PolarHBondContact O-N 3.4Å
338	D	43.1	Very low	46.1	Very low	56 Å²	56	102.6 Å²	102.6	30%	0.299	54%	0.544	S	S	.	.	H	α-helix	trans	-73.8	-36	-172.2	-140.6	49.6	0	0	0	112.6	D334 E336 F341 D342 K536	D334-D338 WeakPolarHBondContact O-CB 3.41Å; E336-D338 VanDerWaalsContact C-N 3.28Å; D338-F341 PolarHBondContact O-N 3.47Å; D338-D342 WeakPolarHBondContact O-CB 3.46Å; D338-D342 PolarHBondContact O-N 2.96Å; D338-K536 IonicContact OD1-NZ 2.77Å; D338-K536 PolarHBondContact OD1-NZ 2.87Å; D338-K536 IonicContact OD2-NZ 3.75Å; D338-K536 PolarHBondContact OD2-NZ 3.49Å
339	Y	46.2	Very low	46.7	Very low	186 Å²	186	97 Å²	97	73%	0.729	52%	0.517	S	S	*	.	H	α-helix	trans	-68.7	-37.1	173.6	-120.1	-83.8	0	0	0	112.5	Q343	Y339-Q343 PolarHBondContact O-N 3.02Å
340	K	46	Very low	47.7	Very low	129 Å²	129	96 Å²	96	56%	0.561	50%	0.504	S	S	*	.	H	α-helix	trans	-69.3	-41.3	175.5	-171.8	176.5	176.6	-173.8	0	111	L337 Q343 E344	L337-K340 PolarHBondContact O-N 3.41Å; K340-Q343 PolarHBondContact O-N 3.09Å; K340-E344 WeakPolarHBondContact CE-OE1 3.43Å; K340-E344 WeakPolarHBondContact O-CG 3.28Å; K340-E344 PolarHBondContact O-N 3.43Å
341	F	44.6	Very low	48.4	Very low	103 Å²	103	92.8 Å²	92.8	45%	0.452	49%	0.487	S	S	.	.	H	α-helix	trans	-60.5	-45.2	173.2	-171.7	-91.1	0	0	0	111.7	L337 D338 Q343 E344 Y345	L337-F341 WeakPolarHBondContact O-CB 3.34Å; L337-F341 PolarHBondContact O-N 3.4Å; D338-F341 PolarHBondContact O-N 3.47Å; F341-Q343 VanDerWaalsContact C-N 3.29Å; F341-Q343 PolarHBondContact O-N 3.25Å; F341-E344 PolarHBondContact O-N 2.9Å; F341-Y345 AromaticContact CE1-CD2 3.78Å; F341-Y345 HydrophobicContact CE1-CD2 3.78Å; F341-Y345 HydrophobicContact CE1-CE2 4.3Å; F341-Y345 AromaticContact CZ-CD2 3.94Å; F341-Y345 HydrophobicContact CZ-CD2 3.94Å; F341-Y345 HydrophobicContact CZ-CE2 4.27Å; F341-Y345 VanDerWaalsContact O-CB 3.29Å; F341-Y345 WeakPolarHBondContact O-CB 3.49Å; F341-Y345 PolarHBondContact O-N 3.07Å
342	D	54.8	Low	49.3	Very low	57 Å²	57	89 Å²	89	31%	0.305	46%	0.459	S	S	.	.	H	α-helix	trans	-61.9	-35.5	175.6	-81.5	-3.4	0	0	0	112.6	D338 S346 K536	D338-D342 WeakPolarHBondContact O-CB 3.46Å; D338-D342 PolarHBondContact O-N 2.96Å; D342-S346 WeakPolarHBondContact O-CB 3.14Å; D342-S346 PolarHBondContact O-N 3.23Å; D342-K536 WeakPolarHBondContact OD1-CD 3.41Å; D342-K536 WeakPolarHBondContact OD1-CE 3.43Å; D342-K536 VanDerWaalsContact OD1-CG 3.26Å; D342-K536 WeakPolarHBondContact OD1-CG 3.19Å; D342-K536 IonicContact OD1-NZ 3.9Å
343	Q	54.4	Low	50.1	Low	129 Å²	129	88.6 Å²	88.6	60%	0.603	45%	0.448	S	S	*	.	H	α-helix	trans	-70.1	-45.8	176	-166.5	165.4	19.8	0	0	111.8	Y339 K340 F341 Y345 S346 I347	Y339-Q343 PolarHBondContact O-N 3.02Å; K340-Q343 PolarHBondContact O-N 3.09Å; F341-Q343 VanDerWaalsContact C-N 3.29Å; F341-Q343 PolarHBondContact O-N 3.25Å; Q343-Y345 VanDerWaalsContact C-N 3.32Å; Q343-Y345 PolarHBondContact O-N 3.49Å; Q343-S346 PolarHBondContact O-N 3.16Å; Q343-I347 HydrophobicContact CG-CD1 4.08Å; Q343-I347 WeakPolarHBondContact O-CB 3.21Å; Q343-I347 WeakPolarHBondContact O-CD1 3.44Å; Q343-I347 WeakPolarHBondContact O-CG1 3.45Å; Q343-I347 PolarHBondContact O-N 2.81Å
344	E	55.6	Low	50.4	Low	106 Å²	106	88.9 Å²	88.9	50%	0.495	44%	0.441	S	S	.	.	H	α-helix	trans	-59.3	-42	173.3	-73.8	172.1	-169.3	0	0	111.4	K340 F341 I347 H348	K340-E344 WeakPolarHBondContact CE-OE1 3.43Å; K340-E344 WeakPolarHBondContact O-CG 3.28Å; K340-E344 PolarHBondContact O-N 3.43Å; F341-E344 PolarHBondContact O-N 2.9Å; E344-I347 PolarHBondContact O-N 2.84Å; E344-H348 VanDerWaalsContact O-CB 3.26Å; E344-H348 WeakPolarHBondContact O-CB 3.41Å; E344-H348 PolarHBondContact O-N 2.93Å
345	Y	55.9	Low	50.5	Low	45 Å²	45	84.8 Å²	84.8	18%	0.176	42%	0.423	C	S	.	.	H	α-helix	trans	-72.1	-35.3	-179.6	-146.1	-84.1	0	0	0	113.2	F341 Q343 H348 Y349 R540 L543	F341-Y345 AromaticContact CE1-CD2 3.78Å; F341-Y345 HydrophobicContact CE1-CD2 3.78Å; F341-Y345 HydrophobicContact CE1-CE2 4.3Å; F341-Y345 AromaticContact CZ-CD2 3.94Å; F341-Y345 HydrophobicContact CZ-CD2 3.94Å; F341-Y345 HydrophobicContact CZ-CE2 4.27Å; F341-Y345 VanDerWaalsContact O-CB 3.29Å; F341-Y345 WeakPolarHBondContact O-CB 3.49Å; F341-Y345 PolarHBondContact O-N 3.07Å; Q343-Y345 VanDerWaalsContact C-N 3.32Å; Q343-Y345 PolarHBondContact O-N 3.49Å; Y345-H348 WeakPolarHBondContact O-CB 3.37Å; Y345-H348 PolarHBondContact O-N 2.64Å; Y345-Y349 PolarHBondContact O-N 3.19Å; Y345-R540 VanDerWaalsContact CE1-CA 3.49Å; Y345-R540 HydrophobicContact CE1-CB 4.26Å; Y345-R540 WeakPolarHBondContact OH-CA 3.42Å; Y345-R540 WeakPolarHBondContact OH-CG 3.17Å; Y345-R540 PolarHBondContact OH-O 3.22Å; Y345-L543 HydrophobicContact CD1-CB 4.48Å; Y345-L543 HydrophobicContact CD1-CD2 4.01Å; Y345-L543 HydrophobicContact CD2-CD2 4.48Å; Y345-L543 HydrophobicContact CE1-CB 3.47Å; Y345-L543 VanDerWaalsContact CE1-CB 3.47Å; Y345-L543 HydrophobicContact CE1-CD2 3.34Å; Y345-L543 HydrophobicContact CE1-CG 4.01Å; Y345-L543 HydrophobicContact CE2-CD2 3.9Å; Y345-L543 WeakPolarHBondContact OH-CD2 3.48Å
346	S	56	Low	50.2	Low	67 Å²	67	89.3 Å²	89.3	47%	0.469	43%	0.425	S	S	.	.	H	α-helix	trans	-71.7	-37.8	174.5	-167.1	0	0	0	0	111.5	D342 Q343 N350	D342-S346 WeakPolarHBondContact O-CB 3.14Å; D342-S346 PolarHBondContact O-N 3.23Å; Q343-S346 PolarHBondContact O-N 3.16Å; S346-N350 WeakPolarHBondContact O-CB 3.39Å; S346-N350 PolarHBondContact O-N 3.43Å; S346-N350 PolarHBondContact O-ND2 3.34Å
347	I	57.3	Low	50	Low	85 Å²	85	86.4 Å²	86.4	44%	0.436	42%	0.42	S	S	.	.	H	α-helix	trans	-61.4	-48.5	169.3	-70.2	165.6	0	0	0	109.6	Q343 E344 Y349 N350 N351	Q343-I347 HydrophobicContact CG-CD1 4.08Å; Q343-I347 WeakPolarHBondContact O-CB 3.21Å; Q343-I347 WeakPolarHBondContact O-CD1 3.44Å; Q343-I347 WeakPolarHBondContact O-CG1 3.45Å; Q343-I347 PolarHBondContact O-N 2.81Å; E344-I347 PolarHBondContact O-N 2.84Å; I347-Y349 PolarHBondContact O-N 2.95Å; I347-N350 PolarHBondContact O-N 3.45Å; I347-N351 VanDerWaalsContact CG2-ND2 3.28Å; I347-N351 WeakPolarHBondContact CG2-ND2 3.34Å; I347-N351 VanDerWaalsContact O-CB 3.3Å; I347-N351 WeakPolarHBondContact O-CB 3.47Å; I347-N351 PolarHBondContact O-N 3.02Å
348	H	57.1	Low	50	Low	37 Å²	37	84.4 Å²	84.4	17%	0.171	41%	0.41	C	S	.	.	H	α-helix	trans	-54.7	-50.7	178	-168.5	-58.5	0	0	0	112.5	E344 Y345 N351 L352 L543 L571	E344-H348 VanDerWaalsContact O-CB 3.26Å; E344-H348 WeakPolarHBondContact O-CB 3.41Å; E344-H348 PolarHBondContact O-N 2.93Å; Y345-H348 WeakPolarHBondContact O-CB 3.37Å; Y345-H348 PolarHBondContact O-N 2.64Å; H348-N351 PolarHBondContact O-N 3.11Å; H348-L352 WeakPolarHBondContact O-CB 3.27Å; H348-L352 PolarHBondContact O-N 2.99Å; H348-L543 WeakPolarHBondContact ND1-CD2 3.41Å; H348-L571 HydrophobicContact CB-CD1 4.2Å; H348-L571 VanDerWaalsContact CE1-CG 3.47Å; H348-L571 WeakPolarHBondContact CE1-CG 3.49Å; H348-L571 WeakPolarHBondContact ND1-CD1 3.46Å; H348-L571 WeakPolarHBondContact NE2-CB 3.13Å; H348-L571 WeakPolarHBondContact NE2-CG 3.25Å; H348-L571 PolarHBondContact NE2-N 2.99Å
349	Y	52.4	Low	49.6	Very low	39 Å²	39	89.8 Å²	89.8	15%	0.153	43%	0.431	C	S	.	.	H	α-helix	trans	-63.4	-43.3	177.7	-173.2	-91.3	0	0	0	112.8	Y345 I347 L352 Q353 V388 N542 L543 E546	Y345-Y349 PolarHBondContact O-N 3.19Å; I347-Y349 PolarHBondContact O-N 2.95Å; Y349-L352 PolarHBondContact O-N 3.02Å; Y349-Q353 HydrophobicContact CD1-CG 4.23Å; Y349-Q353 HydrophobicContact CE1-CG 3.86Å; Y349-Q353 WeakPolarHBondContact O-CB 3.45Å; Y349-Q353 WeakPolarHBondContact O-CG 3.42Å; Y349-Q353 PolarHBondContact O-N 3.1Å; Y349-Q353 PolarHBondContact OH-NE2 3.11Å; Y349-Q353 VanDerWaalsContact OH-NE2 3.15Å; Y349-V388 HydrophobicContact CE1-CG2 4.21Å; Y349-N542 HydrophobicContact CE2-CB 4.1Å; Y349-L543 HydrophobicContact CD2-CB 4.12Å; Y349-L543 HydrophobicContact CD2-CD1 3.9Å; Y349-E546 HydrophobicContact CE2-CG 4.42Å
350	N	54.9	Low	48.9	Very low	74 Å²	74	88.6 Å²	88.6	40%	0.396	44%	0.436	S	S	.	.	H	α-helix	trans	-67.4	-35.6	177.3	-79	-66.9	0	0	0	112.2	S346 I347 Q353 N354	S346-N350 WeakPolarHBondContact O-CB 3.39Å; S346-N350 PolarHBondContact O-N 3.43Å; S346-N350 PolarHBondContact O-ND2 3.34Å; I347-N350 PolarHBondContact O-N 3.45Å; N350-Q353 PolarHBondContact O-N 2.92Å; N350-N354 WeakPolarHBondContact O-CB 3.36Å; N350-N354 PolarHBondContact O-N 2.66Å
351	N	55.2	Low	48.2	Very low	36 Å²	36	86.2 Å²	86.2	19%	0.193	43%	0.432	C	S	.	.	H	α-helix	trans	-73.4	-35.6	178.6	-69.9	-7.4	0	0	0	110.9	I347 H348 Q353 N354 S355 L571 D575	I347-N351 VanDerWaalsContact CG2-ND2 3.28Å; I347-N351 WeakPolarHBondContact CG2-ND2 3.34Å; I347-N351 VanDerWaalsContact O-CB 3.3Å; I347-N351 WeakPolarHBondContact O-CB 3.47Å; I347-N351 PolarHBondContact O-N 3.02Å; H348-N351 PolarHBondContact O-N 3.11Å; N351-Q353 VanDerWaalsContact C-N 3.35Å; N351-Q353 PolarHBondContact O-N 3.5Å; N351-N354 PolarHBondContact O-N 2.92Å; N351-S355 WeakPolarHBondContact O-CB 3.4Å; N351-S355 PolarHBondContact O-N 2.83Å; N351-S355 PolarHBondContact O-OG 3.22Å; N351-L571 HydrophobicContact CB-CD1 4.32Å; N351-D575 PolarHBondContact ND2-OD1 3.06Å; N351-D575 PolarHBondContact ND2-OD2 3.37Å
352	L	54.8	Low	47.5	Very low	25 Å²	25	88 Å²	88	13%	0.131	45%	0.447	C	S	.	.	H	α-helix	trans	-62.9	-38.9	170.6	-156.5	73.3	0	0	0	112.3	H348 Y349 L543 E546 L550 L571 I577	H348-L352 WeakPolarHBondContact O-CB 3.27Å; H348-L352 PolarHBondContact O-N 2.99Å; Y349-L352 PolarHBondContact O-N 3.02Å; L352-L543 HydrophobicContact CD2-CD1 3.79Å; L352-E546 HydrophobicContact CD2-CB 4.05Å; L352-L550 HydrophobicContact CD1-CD1 3.87Å; L352-L550 HydrophobicContact CD2-CD1 4.03Å; L352-L550 HydrophobicContact CG-CD1 4.12Å; L352-L571 HydrophobicContact CD1-CD2 4.43Å; L352-I577 HydrophobicContact CD1-CD1 3.84Å; L352-I577 HydrophobicContact CD1-CG1 4.47Å
353	Q	51.2	Low	46.7	Very low	73 Å²	73	90.1 Å²	90.1	34%	0.341	46%	0.462	S	S	.	.	H	α-helix	trans	-72.7	-40.1	175.1	-75.9	-92	-1.7	0	0	113.4	Y349 N350 N351	Y349-Q353 HydrophobicContact CD1-CG 4.23Å; Y349-Q353 HydrophobicContact CE1-CG 3.86Å; Y349-Q353 WeakPolarHBondContact O-CB 3.45Å; Y349-Q353 WeakPolarHBondContact O-CG 3.42Å; Y349-Q353 PolarHBondContact O-N 3.1Å; Y349-Q353 PolarHBondContact OH-NE2 3.11Å; Y349-Q353 VanDerWaalsContact OH-NE2 3.15Å; N350-Q353 PolarHBondContact O-N 2.92Å; N351-Q353 VanDerWaalsContact C-N 3.35Å; N351-Q353 PolarHBondContact O-N 3.5Å
354	N	46.1	Very low	45.7	Very low	107 Å²	107	89.5 Å²	89.5	57%	0.572	46%	0.463	S	S	*	.	H	α-helix	trans	-88.1	-9.2	-175.1	-75.8	-23	0	0	0	114.3	N350 N351 R356	N350-N354 WeakPolarHBondContact O-CB 3.36Å; N350-N354 PolarHBondContact O-N 2.66Å; N351-N354 PolarHBondContact O-N 2.92Å; N354-R356 PolarHBondContact O-N 3.39Å
355	S	43.6	Very low	44.7	Very low	43 Å²	43	89.6 Å²	89.6	30%	0.301	48%	0.475	S	S	.	.			trans	-70.5	68.9	177.7	-72.5	0	0	0	0	112.6	N351 S357	N351-S355 WeakPolarHBondContact O-CB 3.4Å; N351-S355 PolarHBondContact O-N 2.83Å; N351-S355 PolarHBondContact O-OG 3.22Å; S355-S357 PolarHBondContact O-N 2.88Å
356	R	43	Very low	43.5	Very low	195 Å²	195	93.7 Å²	93.7	74%	0.736	50%	0.504	S	S	*	.			trans	-71.9	10	177.2	-68.6	172.5	167.3	-137.2	-22	113.7	N354 E384	N354-R356 PolarHBondContact O-N 3.39Å; R356-E384 IonicContact CZ-OE1 3.58Å; R356-E384 IonicContact NH1-OE1 2.7Å; R356-E384 IonicContact NH2-OE1 3.41Å; R356-E384 PolarHBondContact NH2-OE1 3.15Å
357	S	38.3	Very low	42.2	Very low	85 Å²	85	96.1 Å²	96.1	59%	0.594	51%	0.511	S	S	*	.			trans	-151.6	86.8	178.8	-163.9	0	0	0	0	110.1	S355 K359	S355-S357 PolarHBondContact O-N 2.88Å; S357-K359 VanDerWaalsContact C-N 3.31Å; S357-K359 PolarHBondContact O-N 3.32Å
358	L	39.2	Very low	40.8	Very low	95 Å²	95	99.3 Å²	99.3	50%	0.497	52%	0.524	S	S	.	.			trans	-69.4	93.1	164.9	-62.1	-177.1	0	0	0	108.4	L360 I577	L358-L360 PolarHBondContact O-N 2.86Å; L358-I577 HydrophobicContact CD2-CD1 3.48Å; L358-I577 VanDerWaalsContact CD2-CD1 3.48Å; L358-I577 HydrophobicContact CD2-CG1 4.21Å
359	K	34.6	Very low	39.6	Very low	169 Å²	169	100.6 Å²	100.6	74%	0.735	53%	0.534	S	S	*	.			trans	-78.1	114.2	164.6	-71.8	-178.1	-180	173.8	0	107.5	S357 V361	S357-K359 VanDerWaalsContact C-N 3.31Å; S357-K359 PolarHBondContact O-N 3.32Å; K359-V361 HydrophobicContact CB-CG2 4.26Å; K359-V361 PolarHBondContact O-N 3.32Å; K359-V361 VanDerWaalsContact O-N 3.11Å
360	L	31.9	Very low	38.4	Very low	162 Å²	162	105.2 Å²	105.2	85%	0.848	57%	0.572	S	S	*	*			trans	-65.7	108	168.2	-172.4	72.1	0	0	0	107.9	L358	L358-L360 PolarHBondContact O-N 2.86Å
361	V	32.5	Very low	37.4	Very low	79 Å²	79	102.9 Å²	102.9	48%	0.479	57%	0.565	S	S	.	*			trans	-112.7	109.1	176.9	176.1	0	0	0	0	107.6	K359 T363	K359-V361 HydrophobicContact CB-CG2 4.26Å; K359-V361 PolarHBondContact O-N 3.32Å; K359-V361 VanDerWaalsContact O-N 3.11Å; V361-T363 HydrophobicContact CG1-CG2 3.86Å; V361-T363 PolarHBondContact O-N 2.88Å; V361-T363 VanDerWaalsContact O-N 3.14Å
362	D	29.8	Very low	36.5	Very low	140 Å²	140	108.6 Å²	108.6	75%	0.749	60%	0.596	S	S	*	*			trans	-77	92.7	175	-79.9	-37.2	0	0	0	110.3
363	T	37.2	Very low	36.1	Very low	102 Å²	102	112.7 Å²	112.7	63%	0.626	61%	0.61	S	S	*	*			trans	-116.9	67.1	172.6	39.7	0	0	0	0	112	V361	V361-T363 HydrophobicContact CG1-CG2 3.86Å; V361-T363 PolarHBondContact O-N 2.88Å; V361-T363 VanDerWaalsContact O-N 3.14Å
364	N	32.6	Very low	35.5	Very low	116 Å²	116	113.4 Å²	113.4	62%	0.62	62%	0.623	S	S	*	*			trans	27.2	130.3	152.4	-61.8	-23	0	0	0	120.4	H368	N364-H368 PolarHBondContact OD1-CE1 3.44Å; N364-H368 VanDerWaalsContact OD1-CE1 3.28Å
365	S	35.1	Very low	35.2	Very low	107 Å²	107	110.3 Å²	110.3	75%	0.748	61%	0.606	S	S	*	*			trans	83.8	115.9	178.2	82.6	0	0	0	0	113.9
366	V	30.2	Very low	35.3	Very low	132 Å²	132	111.1 Å²	111.1	80%	0.8	61%	0.607	S	S	*	*	S	Bend	cis	-134.7	150.1	10.1	178.3	0	0	0	0	110
367	I	29.5	Very low	35.2	Very low	117 Å²	117	109.5 Å²	109.5	60%	0.6	60%	0.602	S	S	*	*			trans	80.6	79.3	-169	-46.7	178.1	0	0	0	113.3	T369	I367-T369 HydrophobicContact CG2-CG2 3.93Å; I367-T369 PolarHBondContact O-N 3.3Å; I367-T369 VanDerWaalsContact O-N 3.16Å
368	H	27.7	Very low	35.5	Very low	153 Å²	153	110 Å²	110	71%	0.708	61%	0.605	S	S	*	*			trans	-71.1	99.8	155.3	-68.3	-86.2	0	0	0	109.1	N364	N364-H368 PolarHBondContact OD1-CE1 3.44Å; N364-H368 VanDerWaalsContact OD1-CE1 3.28Å
369	T	31.8	Very low	35.7	Very low	63 Å²	63	111.2 Å²	111.2	39%	0.387	61%	0.607	S	S	.	*			trans	-108.3	123.7	153.4	50.3	0	0	0	0	108.2	I367 G371	I367-T369 HydrophobicContact CG2-CG2 3.93Å; I367-T369 PolarHBondContact O-N 3.3Å; I367-T369 VanDerWaalsContact O-N 3.16Å; T369-G371 PolarHBondContact O-N 3.09Å
370	S	27.1	Very low	35.6	Very low	136 Å²	136	105.5 Å²	105.5	95%	0.951	58%	0.584	S	S	*	*			trans	-73.5	63.9	168.3	56.9	0	0	0	0	109.4
371	G	34.8	Very low	35.9	Very low	25 Å²	25	102.5 Å²	102.5	26%	0.258	58%	0.577	S	S	.	*			trans	-103.5	130.7	176.8	0	0	0	0	0	109.8	T369 W373	T369-G371 PolarHBondContact O-N 3.09Å; G371-W373 PolarHBondContact O-N 3.01Å; G371-W373 VanDerWaalsContact O-N 3.08Å; G371-W373 PolarHBondContact O-NE1 2.87Å
372	N	36.5	Very low	36.1	Very low	157 Å²	157	109.3 Å²	109.3	84%	0.84	59%	0.594	S	S	*	*			trans	-81.7	85.6	177.9	-174.1	72.8	0	0	0	109.6	S374	N372-S374 PolarHBondContact O-N 2.89Å
373	W	44.8	Very low	36.3	Very low	110 Å²	110	105.9 Å²	105.9	42%	0.417	58%	0.575	S	S	.	*			trans	-61.8	95.9	179.8	-58.3	83	0	0	0	110.5	G371 L375 H555 D556 L562	G371-W373 PolarHBondContact O-N 3.01Å; G371-W373 VanDerWaalsContact O-N 3.08Å; G371-W373 PolarHBondContact O-NE1 2.87Å; W373-L375 PolarHBondContact O-N 3.08Å; W373-H555 VanDerWaalsContact CZ3-C 3.49Å; W373-H555 WeakPolarHBondContact CZ3-O 3.46Å; W373-D556 HydrophobicContact CH2-CB 4.37Å; W373-L562 HydrophobicContact CH2-CD2 4.44Å; W373-L562 HydrophobicContact CZ3-CD1 4.13Å; W373-L562 HydrophobicContact CZ3-CD2 4.08Å; W373-L562 HydrophobicContact CZ3-CG 4.36Å
374	S	38.9	Very low	36.2	Very low	88 Å²	88	107.6 Å²	107.6	62%	0.615	58%	0.576	S	S	*	*			trans	-76.9	90.1	-176.6	-179.1	0	0	0	0	111.3	N372 D376	N372-S374 PolarHBondContact O-N 2.89Å; S374-D376 PolarHBondContact O-N 2.92Å
375	L	40.9	Very low	36.2	Very low	43 Å²	43	110.6 Å²	110.6	23%	0.225	59%	0.586	C	S	.	*			trans	-71.1	118.2	173.7	-165.1	70	0	0	0	110.4	W373 Y377 L380 L554	W373-L375 PolarHBondContact O-N 3.08Å; L375-Y377 VanDerWaalsContact C-N 3.31Å; L375-Y377 HydrophobicContact CB-CD2 4.44Å; L375-Y377 HydrophobicContact CB-CE2 4.07Å; L375-Y377 HydrophobicContact CD2-CD1 4.46Å; L375-Y377 HydrophobicContact CD2-CE1 3.99Å; L375-Y377 HydrophobicContact CD2-CE2 4.36Å; L375-Y377 WeakPolarHBondContact O-CD2 3.44Å; L375-Y377 PolarHBondContact O-N 3.37Å; L375-L380 HydrophobicContact CD2-CD1 4.06Å; L375-L554 HydrophobicContact CD1-CD2 4.11Å
376	D	45.1	Very low	36.1	Very low	59 Å²	59	111.5 Å²	111.5	32%	0.316	58%	0.581	S	S	.	*			trans	-77.8	80.2	176.6	-176.4	10	0	0	0	110.7	S374 S378 K379	S374-D376 PolarHBondContact O-N 2.92Å; D376-S378 PolarHBondContact O-N 3.36Å; D376-S378 WeakPolarHBondContact OD1-CB 3.48Å; D376-S378 PolarHBondContact OD1-N 2.92Å; D376-S378 PolarHBondContact OD1-OG 3.11Å; D376-K379 HydrophobicContact CB-CD 4.46Å; D376-K379 PolarHBondContact O-N 2.89Å; D376-K379 WeakPolarHBondContact OD2-CD 3.37Å; D376-K379 WeakPolarHBondContact OD2-CE 3.41Å; D376-K379 IonicContact OD2-NZ 2.81Å; D376-K379 PolarHBondContact OD2-NZ 3.2Å
377	Y	41.2	Very low	36.2	Very low	161 Å²	161	115.7 Å²	115.7	63%	0.631	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-51.5	-26.7	-179.6	-74	-85.9	0	0	0	113.5	L375 K379 L380	L375-Y377 VanDerWaalsContact C-N 3.31Å; L375-Y377 HydrophobicContact CB-CD2 4.44Å; L375-Y377 HydrophobicContact CB-CE2 4.07Å; L375-Y377 HydrophobicContact CD2-CD1 4.46Å; L375-Y377 HydrophobicContact CD2-CE1 3.99Å; L375-Y377 HydrophobicContact CD2-CE2 4.36Å; L375-Y377 WeakPolarHBondContact O-CD2 3.44Å; L375-Y377 PolarHBondContact O-N 3.37Å; Y377-K379 PolarHBondContact O-N 3.03Å; Y377-K379 VanDerWaalsContact O-N 3.09Å; Y377-L380 HydrophobicContact CD1-CD1 4.12Å; Y377-L380 PolarHBondContact O-N 2.89Å; Y377-L380 VanDerWaalsContact O-N 3.08Å
378	S	43.8	Very low	36.4	Very low	95 Å²	95	114.2 Å²	114.2	66%	0.664	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-55.1	-26.5	177.1	-28.9	0	0	0	0	113.6	D376	D376-S378 PolarHBondContact O-N 3.36Å; D376-S378 WeakPolarHBondContact OD1-CB 3.48Å; D376-S378 PolarHBondContact OD1-N 2.92Å; D376-S378 PolarHBondContact OD1-OG 3.11Å
379	K	43	Very low	36.6	Very low	121 Å²	121	114.1 Å²	114.1	53%	0.526	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-89.3	-19.5	-179.1	-69	172.5	179	137.2	0	113.8	D376 Y377 M553	D376-K379 HydrophobicContact CB-CD 4.46Å; D376-K379 PolarHBondContact O-N 2.89Å; D376-K379 WeakPolarHBondContact OD2-CD 3.37Å; D376-K379 WeakPolarHBondContact OD2-CE 3.41Å; D376-K379 IonicContact OD2-NZ 2.81Å; D376-K379 PolarHBondContact OD2-NZ 3.2Å; Y377-K379 PolarHBondContact O-N 3.03Å; Y377-K379 VanDerWaalsContact O-N 3.09Å; K379-M553 HydrophobicContact CB-CE 4Å
380	L	34	Very low	36.5	Very low	49 Å²	49	116.6 Å²	116.6	26%	0.257	60%	0.598	S	S	.	*	G	3₁₀ helix	trans	-74.5	-36.5	-179.4	-69.6	171.4	0	0	0	112.3	L375 Y377 R382 L383 M553	L375-L380 HydrophobicContact CD2-CD1 4.06Å; Y377-L380 HydrophobicContact CD1-CD1 4.12Å; Y377-L380 PolarHBondContact O-N 2.89Å; Y377-L380 VanDerWaalsContact O-N 3.08Å; L380-R382 PolarHBondContact O-N 2.9Å; L380-L383 HydrophobicContact CD2-CD1 4.02Å; L380-L383 WeakPolarHBondContact O-CB 3.21Å; L380-L383 WeakPolarHBondContact O-CG 3.44Å; L380-L383 PolarHBondContact O-N 3.16Å; L380-L383 VanDerWaalsContact O-N 3.13Å; L380-M553 HydrophobicContact CD2-CE 3.73Å; L380-M553 HydrophobicContact CG-CE 3.98Å
381	S	37	Very low	36.8	Very low	100 Å²	100	117.2 Å²	117.2	70%	0.699	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-65.7	-7	-175.9	-49	0	0	0	0	115.3
382	R	37.9	Very low	36.7	Very low	222 Å²	222	121.7 Å²	121.7	84%	0.838	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-88.4	-2.1	175.4	-72.7	-177	64.6	-168.1	-2.4	113.9	L380	L380-R382 PolarHBondContact O-N 2.9Å
383	L	33.2	Very low	36.7	Very low	67 Å²	67	120.8 Å²	120.8	35%	0.351	60%	0.604	S	S	.	*			trans	-88.3	-7.3	-171	-66.3	168.2	0	0	0	115.2	L380 H385	L380-L383 HydrophobicContact CD2-CD1 4.02Å; L380-L383 WeakPolarHBondContact O-CB 3.21Å; L380-L383 WeakPolarHBondContact O-CG 3.44Å; L380-L383 PolarHBondContact O-N 3.16Å; L380-L383 VanDerWaalsContact O-N 3.13Å; L383-H385 PolarHBondContact O-N 3.33Å
384	E	35	Very low	36.1	Very low	139 Å²	139	121.3 Å²	121.3	65%	0.65	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	4.4	-172.6	-63.7	-141.9	114.4	0	0	116	R356	R356-E384 IonicContact CZ-OE1 3.58Å; R356-E384 IonicContact NH1-OE1 2.7Å; R356-E384 IonicContact NH2-OE1 3.41Å; R356-E384 PolarHBondContact NH2-OE1 3.15Å
385	H	32.2	Very low	36.1	Very low	179 Å²	179	126.6 Å²	126.6	83%	0.829	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114	-0.7	-167	-111	-72.2	0	0	0	117.4	L383	L383-H385 PolarHBondContact O-N 3.33Å
386	I	34.3	Very low	35.8	Very low	125 Å²	125	128.6 Å²	128.6	64%	0.641	65%	0.645	S	S	*	*			trans	-106.2	74.7	179	-51.1	-179	0	0	0	110.1	V388	I386-V388 PolarHBondContact O-N 3.19Å
387	R	31.4	Very low	35.8	Very low	221 Å²	221	130.2 Å²	130.2	83%	0.834	65%	0.653	S	S	*	*			trans	-74.6	103.6	168.8	-178.6	176.2	-65	-152.2	-1.6	109	H389	R387-H389 PolarHBondContact O-N 2.94Å; R387-H389 VanDerWaalsContact O-N 3.13Å
388	V	34.5	Very low	35.8	Very low	86 Å²	86	128.3 Å²	128.3	52%	0.521	65%	0.654	S	S	.	*			trans	-60.5	116	167.2	-179.7	0	0	0	0	108	Y349 I386 S390	Y349-V388 HydrophobicContact CE1-CG2 4.21Å; I386-V388 PolarHBondContact O-N 3.19Å; V388-S390 PolarHBondContact O-N 3.39Å
389	H	30.6	Very low	35.9	Very low	150 Å²	150	128 Å²	128	69%	0.694	65%	0.648	S	S	*	*			trans	-70.2	99.8	178.5	-102.1	-77.6	0	0	0	110.1	R387 E391	R387-H389 PolarHBondContact O-N 2.94Å; R387-H389 VanDerWaalsContact O-N 3.13Å; H389-E391 HydrophobicContact CB-CG 4.26Å; H389-E391 PolarHBondContact O-N 2.9Å
390	S	31.2	Very low	35.7	Very low	116 Å²	116	127.7 Å²	127.7	81%	0.811	65%	0.649	S	S	*	*			trans	-71.6	79.5	158.2	30.9	0	0	0	0	109.1	V388	V388-S390 PolarHBondContact O-N 3.39Å
391	E	32.4	Very low	36.1	Very low	149 Å²	149	128.5 Å²	128.5	70%	0.696	66%	0.658	S	S	*	*			trans	-67.7	139.7	172.3	-69.3	-150	146.1	0	0	111.3	H389 I393	H389-E391 HydrophobicContact CB-CG 4.26Å; H389-E391 PolarHBondContact O-N 2.9Å; E391-I393 PolarHBondContact O-N 3.41Å
392	P	33.4	Very low	36.5	Very low	119 Å²	119	130.1 Å²	130.1	77%	0.773	66%	0.655	S	S	*	*			trans	-70.7	119.8	-178.4	28.7	-33.7	0	0	0	110.8	D394	P392-D394 PolarHBondContact O-N 3.5Å
393	I	35.5	Very low	36.9	Very low	137 Å²	137	123.9 Å²	123.9	70%	0.703	64%	0.637	S	S	*	*	S	Bend	trans	-75.3	78.9	171.4	-53.9	174.6	0	0	0	108.6	E391	E391-I393 PolarHBondContact O-N 3.41Å
394	D	32.1	Very low	37.4	Very low	121 Å²	121	122.8 Å²	122.8	65%	0.647	63%	0.631	S	S	*	*			trans	-171.7	114.1	157	-99.7	-26	0	0	0	110.7	P392	P392-D394 PolarHBondContact O-N 3.5Å
395	K	38.6	Very low	38	Very low	199 Å²	199	122.6 Å²	122.6	87%	0.865	63%	0.625	S	S	*	*	S	Bend	trans	157	-13.9	159.6	-88.9	153.8	-164.7	176.7	0	115.3
396	S	35.7	Very low	38.5	Very low	86 Å²	86	120.1 Å²	120.1	60%	0.601	62%	0.619	S	S	*	*			trans	-85.8	-2.4	-177	-158.6	0	0	0	0	114.8	D398	S396-D398 PolarHBondContact O-N 2.84Å
397	L	45.1	Very low	39.2	Very low	92 Å²	92	120.8 Å²	120.8	48%	0.482	62%	0.619	S	S	.	*	H	α-helix	trans	-73.3	-24.8	-165.3	-79.3	161.8	0	0	0	114.5	S401	L397-S401 PolarHBondContact O-OG 3.16Å
398	D	41.6	Very low	39.5	Very low	121 Å²	121	115.5 Å²	115.5	65%	0.647	61%	0.607	S	S	*	*	H	α-helix	trans	-75.9	-31.4	-175.1	-56.2	-29.1	0	0	0	112.3	S396 Q402	S396-D398 PolarHBondContact O-N 2.84Å; D398-Q402 WeakPolarHBondContact O-CG 3.38Å
399	T	44.6	Very low	39.6	Very low	88 Å²	88	115.5 Å²	115.5	54%	0.54	61%	0.611	S	S	.	*	H	α-helix	trans	-85.4	-42.8	-172.3	-41.4	0	0	0	0	113.3	S401 Q402 I403	T399-S401 VanDerWaalsContact C-N 3.28Å; T399-S401 PolarHBondContact O-N 3.47Å; T399-Q402 PolarHBondContact O-N 3.37Å; T399-I403 HydrophobicContact CG2-CD1 4.41Å; T399-I403 WeakPolarHBondContact O-CG1 3.3Å; T399-I403 PolarHBondContact O-N 3.06Å
400	E	40	Very low	39.9	Very low	116 Å²	116	116.8 Å²	116.8	54%	0.542	62%	0.615	S	S	.	*	H	α-helix	trans	-68	-29	177.7	-80.6	-163.7	140.3	0	0	112.1
401	S	42.5	Very low	39.9	Very low	65 Å²	65	116.5 Å²	116.5	46%	0.455	61%	0.613	S	S	.	*	H	α-helix	trans	-67.6	-41.1	177.4	-72.7	0	0	0	0	112.6	L397 T399 L404 Y405	L397-S401 PolarHBondContact O-OG 3.16Å; T399-S401 VanDerWaalsContact C-N 3.28Å; T399-S401 PolarHBondContact O-N 3.47Å; S401-L404 PolarHBondContact O-N 3.32Å; S401-Y405 WeakPolarHBondContact O-CD2 3.24Å
402	Q	44.9	Very low	40	Very low	135 Å²	135	119 Å²	119	63%	0.631	62%	0.622	S	S	*	*	H	α-helix	trans	-66.9	-40.4	179.8	-71.7	171.9	3	0	0	112.3	D398 T399 L404 Y405	D398-Q402 WeakPolarHBondContact O-CG 3.38Å; T399-Q402 PolarHBondContact O-N 3.37Å; Q402-L404 VanDerWaalsContact C-N 3.25Å; Q402-L404 PolarHBondContact O-N 2.84Å; Q402-Y405 PolarHBondContact O-N 3.46Å
403	I	45.9	Very low	39.9	Very low	91 Å²	91	118.1 Å²	118.1	47%	0.467	62%	0.619	S	S	.	*	H	α-helix	trans	-65	-28.1	-178.7	-62.4	165.8	0	0	0	112.3	T399	T399-I403 HydrophobicContact CG2-CD1 4.41Å; T399-I403 WeakPolarHBondContact O-CG1 3.3Å; T399-I403 PolarHBondContact O-N 3.06Å
404	L	44.1	Very low	39.7	Very low	44 Å²	44	118.1 Å²	118.1	23%	0.23	62%	0.62	C	S	.	*	H	α-helix	trans	-81.2	-25.1	177.6	-84.2	162.5	0	0	0	114.2	S401 Q402 L520	S401-L404 PolarHBondContact O-N 3.32Å; Q402-L404 VanDerWaalsContact C-N 3.25Å; Q402-L404 PolarHBondContact O-N 2.84Å; L404-L520 HydrophobicContact CB-CD1 4.01Å
405	Y	46.3	Very low	39.9	Very low	134 Å²	134	118.1 Å²	118.1	53%	0.525	63%	0.627	S	S	.	*	H	α-helix	trans	-67.5	-39.1	172.8	-88.7	-76.1	0	0	0	111.6	S401 Q402 D517 L520	S401-Y405 WeakPolarHBondContact O-CD2 3.24Å; Q402-Y405 PolarHBondContact O-N 3.46Å; Y405-D517 PolarHBondContact OH-OD1 3.5Å; Y405-L520 HydrophobicContact CD1-CD2 4.21Å; Y405-L520 HydrophobicContact CD2-CD2 4.18Å; Y405-L520 HydrophobicContact CE1-CD2 3.86Å; Y405-L520 HydrophobicContact CE2-CD2 3.83Å; Y405-L520 HydrophobicContact CG-CD2 4.36Å
406	D	44.2	Very low	39.7	Very low	128 Å²	128	117.9 Å²	117.9	68%	0.684	62%	0.62	S	S	*	*	H	α-helix	trans	-69	-35.2	179.6	-78.6	-16.7	0	0	0	113.2	S409	D406-S409 PolarHBondContact O-OG 3.23Å
407	Q	47.6	Very low	39.6	Very low	139 Å²	139	120.9 Å²	120.9	65%	0.65	63%	0.63	S	S	*	*	H	α-helix	trans	-79.5	-20.4	-174.4	-69.7	-174.5	9.9	0	0	114.7
408	N	38.7	Very low	39.3	Very low	110 Å²	110	124.1 Å²	124.1	59%	0.588	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	7.9	-179.7	-144.7	40.6	0	0	0	113.3	F410	N408-F410 PolarHBondContact O-N 3.25Å
409	S	36.5	Very low	39	Very low	86 Å²	86	125 Å²	125	60%	0.601	66%	0.657	S	S	*	*			trans	-75.4	50.9	174	66.9	0	0	0	0	112.7	D406 S411	D406-S409 PolarHBondContact O-OG 3.23Å; S409-S411 PolarHBondContact O-N 2.95Å
410	F	37.9	Very low	38.6	Very low	177 Å²	177	131 Å²	131	78%	0.776	67%	0.671	S	S	*	*			trans	-72	76.2	174.9	-103.8	-88.5	0	0	0	111.8	N408 F412	N408-F410 PolarHBondContact O-N 3.25Å; F410-F412 PolarHBondContact O-N 3.34Å; F410-F412 VanDerWaalsContact O-N 3.15Å
411	S	29.3	Very low	38.3	Very low	110 Å²	110	133.6 Å²	133.6	77%	0.769	68%	0.683	S	S	*	*			trans	39.7	60.4	143.4	-61.2	0	0	0	0	118.3	S409 S413	S409-S411 PolarHBondContact O-N 2.95Å; S411-S413 PolarHBondContact O-N 3.39Å
412	F	35.1	Very low	38.1	Very low	202 Å²	202	139.5 Å²	139.5	89%	0.886	70%	0.701	S	S	*	*			trans	-87.7	82.9	156.4	-93.8	-86.5	0	0	0	111.1	F410	F410-F412 PolarHBondContact O-N 3.34Å; F410-F412 VanDerWaalsContact O-N 3.15Å
413	S	31.2	Very low	37.7	Very low	100 Å²	100	137.7 Å²	137.7	70%	0.699	70%	0.703	S	S	*	*			trans	8.8	111.2	156.7	40.4	0	0	0	0	118.6	S411 P415	S411-S413 PolarHBondContact O-N 3.39Å; S413-P415 WeakPolarHBondContact O-CD 3.4Å
414	N	32.5	Very low	37.3	Very low	137 Å²	137	138.7 Å²	138.7	73%	0.733	72%	0.718	S	S	*	*			trans	-100.4	100	164.9	-164	-3.4	0	0	0	109.3	R416	N414-R416 PolarHBondContact O-N 3.48Å
415	P	35.8	Very low	37.1	Very low	121 Å²	121	142 Å²	142	79%	0.786	75%	0.745	S	S	*	*			trans	-81.8	80.9	-176.5	33.3	-34.2	0	0	0	110.6	S413	S413-P415 WeakPolarHBondContact O-CD 3.4Å
416	R	34.3	Very low	37.1	Very low	193 Å²	193	140.9 Å²	140.9	73%	0.728	76%	0.756	S	S	*	*			trans	-77.4	128.7	167.5	-77.5	-160.7	176.9	-167.1	0.7	111.5	N414 N418	N414-R416 PolarHBondContact O-N 3.48Å; R416-N418 PolarHBondContact O-N 2.93Å; R416-N418 PolarHBondContact O-ND2 2.88Å
417	D	34.2	Very low	36.7	Very low	150 Å²	150	141.1 Å²	141.1	80%	0.802	76%	0.763	S	S	*	*			trans	9	99.4	150.4	-51.7	-50.1	0	0	0	116.2
418	N	38.1	Very low	36.5	Very low	160 Å²	160	138.9 Å²	138.9	86%	0.856	76%	0.761	S	S	*	*			trans	-135.2	96.8	161.4	-84.1	-66.6	0	0	0	109.9	R416 Y420	R416-N418 PolarHBondContact O-N 2.93Å; R416-N418 PolarHBondContact O-ND2 2.88Å; N418-Y420 PolarHBondContact O-N 3.26Å
419	V	34.3	Very low	37.3	Very low	140 Å²	140	137.8 Å²	137.8	85%	0.848	76%	0.763	S	S	*	*			trans	-73.3	108.6	165.3	174.4	0	0	0	0	107.8
420	Y	37.3	Very low	38	Very low	214 Å²	214	139.7 Å²	139.7	84%	0.839	77%	0.766	S	S	*	*			trans	-162.5	153	143.4	-128.4	-90.7	0	0	0	112	N418	N418-Y420 PolarHBondContact O-N 3.26Å
421	E	34.4	Very low	38.9	Very low	170 Å²	170	134 Å²	134	79%	0.794	75%	0.748	S	S	*	*			trans	-75.4	144.4	-170.2	-53.1	172.3	120.4	0	0	113.4
422	K	37.6	Very low	40.3	Very low	188 Å²	188	131.3 Å²	131.3	82%	0.817	73%	0.732	S	S	*	*				154.8	124.4	104	-171.3	161	-175.3	172.5	0	113.9
423	S	36.4	Very low	41.4	Very low	98 Å²	98	126.4 Å²	126.4	69%	0.685	72%	0.719	S	S	*	*			trans	69	110.6	155.3	-66.3	0	0	0	0	121.4
424	S	38	Very low	42.7	Very low	112 Å²	112	125.1 Å²	125.1	78%	0.783	71%	0.71	S	S	*	*			trans	82.4	83.2	131.4	-51.7	0	0	0	0	120.6
425	S	39.8	Very low	44	Very low	113 Å²	113	124.2 Å²	124.2	79%	0.79	70%	0.699	S	S	*	*				158.1	156.2	116.6	57.9	0	0	0	0	113.1
426	S	45.3	Very low	45.2	Very low	110 Å²	110	124.4 Å²	124.4	77%	0.769	69%	0.685	S	S	*	*			trans	70.2	68.7	-179.3	71.9	0	0	0	0	117.8	C428	S426-C428 PolarHBondContact O-N 3Å
427	T	37.2	Very low	46.9	Very low	133 Å²	133	117 Å²	117	82%	0.816	66%	0.662	S	S	*	*			trans	-77.7	94.4	175.6	-47.1	0	0	0	0	112.9
428	C	42.8	Very low	48.9	Very low	92 Å²	92	113.6 Å²	113.6	62%	0.622	64%	0.644	S	S	*	*			trans	-124.9	-30	168.8	58.9	0	0	0	0	114.8	S426 S431	S426-C428 PolarHBondContact O-N 3Å; C428-S431 PolarHBondContact O-OG 3.32Å
429	S	55.9	Low	50.8	Low	88 Å²	88	110.3 Å²	110.3	62%	0.615	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-36.3	-171	-50.8	0	0	0	0	115.4	S431 A432	S429-S431 PolarHBondContact O-N 3.48Å; S429-A432 PolarHBondContact O-N 2.85Å
430	N	51.5	Low	53.3	Low	126 Å²	126	108.3 Å²	108.3	67%	0.674	60%	0.598	S	S	*	*	H	α-helix	trans	-67.3	-24.9	-176.6	-68.7	-0.6	0	0	0	113.1	A432 V433 S434	N430-A432 VanDerWaalsContact C-N 3.29Å; N430-A432 PolarHBondContact O-N 3.07Å; N430-V433 PolarHBondContact O-N 2.75Å; N430-S434 WeakPolarHBondContact O-CB 3.42Å; N430-S434 PolarHBondContact O-N 3.06Å; N430-S434 VanDerWaalsContact O-N 3.12Å
431	S	55	Low	55.9	Low	57 Å²	57	101.3 Å²	101.3	40%	0.399	57%	0.574	S	S	.	*	H	α-helix	trans	-65.8	-30.1	179.8	77.5	0	0	0	0	112.8	C428 S429 K435	C428-S431 PolarHBondContact O-OG 3.32Å; S429-S431 PolarHBondContact O-N 3.48Å; S431-K435 WeakPolarHBondContact O-CB 3.42Å; S431-K435 WeakPolarHBondContact O-CD 3.31Å; S431-K435 WeakPolarHBondContact O-CG 3.31Å; S431-K435 PolarHBondContact O-N 2.93Å
432	A	58.7	Low	58.6	Low	53 Å²	53	99.5 Å²	99.5	44%	0.438	56%	0.56	S	S	.	*	H	α-helix	trans	-76.1	-33.7	-177.2	0	0	0	0	0	112.8	S429 N430 R436	S429-A432 PolarHBondContact O-N 2.85Å; N430-A432 VanDerWaalsContact C-N 3.29Å; N430-A432 PolarHBondContact O-N 3.07Å; A432-R436 PolarHBondContact O-N 3.38Å; A432-R436 VanDerWaalsContact O-N 3.11Å
433	V	58.7	Low	61.4	Low	100 Å²	100	90.6 Å²	90.6	61%	0.606	52%	0.521	S	S	*	.	H	α-helix	trans	-74.4	-47.1	174.8	-176.7	0	0	0	0	110	N430 K435 R436 S437	N430-V433 PolarHBondContact O-N 2.75Å; V433-K435 VanDerWaalsContact C-N 3.33Å; V433-K435 PolarHBondContact O-N 3.42Å; V433-R436 WeakPolarHBondContact O-CA 3.34Å; V433-R436 VanDerWaalsContact O-CB 3.31Å; V433-R436 WeakPolarHBondContact O-CB 3.2Å; V433-R436 PolarHBondContact O-N 2.84Å; V433-S437 PolarHBondContact O-N 3.48Å
434	S	59.4	Low	64.2	Low	73 Å²	73	87.8 Å²	87.8	51%	0.51	50%	0.498	S	S	.	.	H	α-helix	trans	-57.9	-41.8	173.3	170.2	0	0	0	0	112.3	N430 R436 S437 D438	N430-S434 WeakPolarHBondContact O-CB 3.42Å; N430-S434 PolarHBondContact O-N 3.06Å; N430-S434 VanDerWaalsContact O-N 3.12Å; S434-R436 VanDerWaalsContact C-N 3.28Å; S434-R436 PolarHBondContact O-N 2.91Å; S434-S437 PolarHBondContact O-N 3.36Å; S434-S437 PolarHBondContact O-OG 3.3Å; S434-D438 VanDerWaalsContact O-CB 3.23Å; S434-D438 WeakPolarHBondContact O-CB 3.4Å; S434-D438 PolarHBondContact O-N 3.32Å
435	K	60.4	Low	66.9	Low	117 Å²	117	86.1 Å²	86.1	51%	0.509	48%	0.48	S	S	.	.	H	α-helix	trans	-67.7	-23.1	172.3	-73.6	167.5	-175.7	173.1	0	113.6	S431 V433 R439	S431-K435 WeakPolarHBondContact O-CB 3.42Å; S431-K435 WeakPolarHBondContact O-CD 3.31Å; S431-K435 WeakPolarHBondContact O-CG 3.31Å; S431-K435 PolarHBondContact O-N 2.93Å; V433-K435 VanDerWaalsContact C-N 3.33Å; V433-K435 PolarHBondContact O-N 3.42Å; K435-R439 WeakPolarHBondContact O-CG 3.41Å; K435-R439 PolarHBondContact O-NH1 3.12Å
436	R	60.4	Low	69.6	Low	126 Å²	126	83.7 Å²	83.7	48%	0.475	46%	0.461	S	S	.	.	H	α-helix	trans	-73.1	-38.7	171.8	-93.4	179.1	167.5	139.2	-9.3	110.4	A432 V433 S434 E498	A432-R436 PolarHBondContact O-N 3.38Å; A432-R436 VanDerWaalsContact O-N 3.11Å; V433-R436 WeakPolarHBondContact O-CA 3.34Å; V433-R436 VanDerWaalsContact O-CB 3.31Å; V433-R436 WeakPolarHBondContact O-CB 3.2Å; V433-R436 PolarHBondContact O-N 2.84Å; S434-R436 VanDerWaalsContact C-N 3.28Å; S434-R436 PolarHBondContact O-N 2.91Å; R436-E498 IonicContact CZ-OE2 3.2Å; R436-E498 IonicContact NH2-OE1 2.66Å; R436-E498 IonicContact NH2-OE2 3.77Å; R436-E498 PolarHBondContact NH2-OE2 3.42Å
437	S	70.1	Confident	72	Confident	37 Å²	37	78.7 Å²	78.7	26%	0.259	43%	0.425	S	S	.	.	H	α-helix	trans	-73.2	-48.4	176.7	54.3	0	0	0	0	113	V433 S434 R439 Y440 I441	V433-S437 PolarHBondContact O-N 3.48Å; S434-S437 PolarHBondContact O-N 3.36Å; S434-S437 PolarHBondContact O-OG 3.3Å; S437-R439 PolarHBondContact O-N 3.45Å; S437-Y440 VanDerWaalsContact CA-CD1 3.5Å; S437-Y440 WeakPolarHBondContact O-CD1 3.39Å; S437-Y440 PolarHBondContact O-N 3.49Å; S437-I441 WeakPolarHBondContact O-CG1 3.39Å; S437-I441 PolarHBondContact O-N 2.82Å
438	D	74.8	Confident	74.8	Confident	79 Å²	79	79 Å²	79	42%	0.422	42%	0.418	S	S	.	.	H	α-helix	trans	-47.6	-38.7	174.5	178.7	34.8	0	0	0	113	S434 Y440 I441 R442	S434-D438 VanDerWaalsContact O-CB 3.23Å; S434-D438 WeakPolarHBondContact O-CB 3.4Å; S434-D438 PolarHBondContact O-N 3.32Å; D438-Y440 PolarHBondContact O-N 2.88Å; D438-I441 PolarHBondContact O-N 3.14Å; D438-R442 WeakPolarHBondContact O-CG 3.42Å; D438-R442 PolarHBondContact O-N 2.83Å
439	R	79.7	Confident	77.3	Confident	90 Å²	90	80.9 Å²	80.9	34%	0.34	43%	0.426	S	S	.	.	H	α-helix	trans	-70.1	-25.3	177.2	-77.2	-166.8	-54.1	-85.4	-0.5	115.9	K435 S437 R494	K435-R439 WeakPolarHBondContact O-CG 3.41Å; K435-R439 PolarHBondContact O-NH1 3.12Å; S437-R439 PolarHBondContact O-N 3.45Å; R439-R494 PolarHBondContact O-NH1 2.8Å
440	Y	86.4	Confident	79.1	Confident	98 Å²	98	77.3 Å²	77.3	38%	0.384	40%	0.402	S	S	.	.	H	α-helix	trans	-88.3	-32.3	172.1	79	-111.7	0	0	0	111.1	S437 D438 R442 D443 I444	S437-Y440 VanDerWaalsContact CA-CD1 3.5Å; S437-Y440 WeakPolarHBondContact O-CD1 3.39Å; S437-Y440 PolarHBondContact O-N 3.49Å; D438-Y440 PolarHBondContact O-N 2.88Å; Y440-R442 VanDerWaalsContact C-N 3.32Å; Y440-R442 PolarHBondContact O-N 3.28Å; Y440-D443 WeakPolarHBondContact O-CA 3.23Å; Y440-D443 WeakPolarHBondContact O-CB 3.28Å; Y440-D443 PolarHBondContact O-N 3.05Å; Y440-I444 HydrophobicContact CD2-CD1 3.57Å; Y440-I444 HydrophobicContact CD2-CG1 4.32Å; Y440-I444 HydrophobicContact CE2-CD1 3.71Å; Y440-I444 PolarHBondContact O-N 3.49Å
441	I	90.8	Very high	81.2	Confident	67 Å²	67	73.5 Å²	73.5	34%	0.344	39%	0.392	S	S	.	.	H	α-helix	trans	-56.5	-47.9	177.2	-67	166.9	0	0	0	109.9	S437 D438 D443 I444 D445	S437-I441 WeakPolarHBondContact O-CG1 3.39Å; S437-I441 PolarHBondContact O-N 2.82Å; D438-I441 PolarHBondContact O-N 3.14Å; I441-D443 PolarHBondContact O-N 3.3Å; I441-D443 VanDerWaalsContact O-N 3.1Å; I441-I444 CarbonylContact O-C 3.59Å; I441-I444 WeakPolarHBondContact O-CA 3.44Å; I441-I444 WeakPolarHBondContact O-CB 3.38Å; I441-I444 PolarHBondContact O-N 2.71Å; I441-D445 PolarHBondContact O-N 2.87Å
442	R	92.7	Very high	83.1	Confident	132 Å²	132	71.5 Å²	71.5	50%	0.498	38%	0.378	S	S	.	.	H	α-helix	trans	-59.4	-24.5	174	-62.6	-179.6	-48.3	155.3	15.9	114.9	D438 Y440 V446	D438-R442 WeakPolarHBondContact O-CG 3.42Å; D438-R442 PolarHBondContact O-N 2.83Å; Y440-R442 VanDerWaalsContact C-N 3.32Å; Y440-R442 PolarHBondContact O-N 3.28Å; R442-V446 WeakPolarHBondContact O-CG2 3.11Å; R442-V446 PolarHBondContact O-N 3.31Å
443	D	95.1	Very high	84.9	Confident	1 Å²	1	73 Å²	73	1%	0.005	38%	0.383	C	S	.	.	H	α-helix	trans	-81.8	-33.9	174.8	-66.3	-14.6	0	0	0	110.7	Y440 I441 L447 Y456 A487 R490 R494	Y440-D443 WeakPolarHBondContact O-CA 3.23Å; Y440-D443 WeakPolarHBondContact O-CB 3.28Å; Y440-D443 PolarHBondContact O-N 3.05Å; I441-D443 PolarHBondContact O-N 3.3Å; I441-D443 VanDerWaalsContact O-N 3.1Å; D443-L447 VanDerWaalsContact O-CG 3.28Å; D443-L447 WeakPolarHBondContact O-CG 3.21Å; D443-L447 PolarHBondContact O-N 3.34Å; D443-Y456 HydrophobicContact CB-CD2 3.95Å; D443-Y456 HydrophobicContact CB-CE2 3.53Å; D443-A487 HydrophobicContact CB-CB 4.27Å; D443-R490 WeakPolarHBondContact OD1-CD 3.28Å; D443-R490 IonicContact OD1-CZ 3.44Å; D443-R490 IonicContact OD1-NE 2.71Å; D443-R490 IonicContact OD1-NH1 2.6Å; D443-R490 PolarHBondContact OD1-NH1 2.64Å; D443-R494 IonicContact OD2-CZ 3.63Å; D443-R494 IonicContact OD2-NH1 3.39Å; D443-R494 PolarHBondContact OD2-NH1 3.04Å; D443-R494 IonicContact OD2-NH2 2.65Å; D443-R494 PolarHBondContact OD2-NH2 3.02Å
444	I	95.4	Very high	86.6	Confident	40 Å²	40	70.4 Å²	70.4	21%	0.205	36%	0.363	C	S	.	.	H	α-helix	trans	-62.6	-54.6	169.8	-64.2	172.3	0	0	0	109.8	Y440 I441 V446 L447 E448 Y456	Y440-I444 HydrophobicContact CD2-CD1 3.57Å; Y440-I444 HydrophobicContact CD2-CG1 4.32Å; Y440-I444 HydrophobicContact CE2-CD1 3.71Å; Y440-I444 PolarHBondContact O-N 3.49Å; I441-I444 CarbonylContact O-C 3.59Å; I441-I444 WeakPolarHBondContact O-CA 3.44Å; I441-I444 WeakPolarHBondContact O-CB 3.38Å; I441-I444 PolarHBondContact O-N 2.71Å; I444-V446 PolarHBondContact O-N 2.85Å; I444-V446 VanDerWaalsContact O-N 3.15Å; I444-L447 PolarHBondContact O-N 2.77Å; I444-E448 HydrophobicContact CG2-CG 4.14Å; I444-E448 WeakPolarHBondContact CG2-OE1 3.18Å; I444-E448 PolarHBondContact O-N 3.02Å; I444-Y456 HydrophobicContact CG1-CD1 4.21Å; I444-Y456 HydrophobicContact CG1-CD2 4.07Å; I444-Y456 HydrophobicContact CG1-CG 3.73Å
445	D	95.2	Very high	88.3	Confident	76 Å²	76	69.1 Å²	69.1	41%	0.406	35%	0.354	S	S	.	.	H	α-helix	trans	-53	-41.1	-178.7	-56.6	-27.8	0	0	0	111.6	I441 E448 V449	I441-D445 PolarHBondContact O-N 2.87Å; D445-E448 PolarHBondContact O-N 3.36Å; D445-V449 VanDerWaalsContact O-CB 3.32Å; D445-V449 WeakPolarHBondContact O-CB 3.43Å; D445-V449 WeakPolarHBondContact O-CG2 3.34Å; D445-V449 PolarHBondContact O-N 2.65Å
446	V	95.5	Very high	90	Very high	62 Å²	62	64.3 Å²	64.3	38%	0.376	33%	0.333	S	S	.	.	H	α-helix	trans	-68.9	-36.3	178.7	166.1	0	0	0	0	112.4	R442 I444 A450 A483	R442-V446 WeakPolarHBondContact O-CG2 3.11Å; R442-V446 PolarHBondContact O-N 3.31Å; I444-V446 PolarHBondContact O-N 2.85Å; I444-V446 VanDerWaalsContact O-N 3.15Å; V446-A450 VanDerWaalsContact O-CB 3.29Å; V446-A450 WeakPolarHBondContact O-CB 3.21Å; V446-A450 PolarHBondContact O-N 3.5Å; V446-A450 VanDerWaalsContact O-N 3.15Å; V446-A483 HydrophobicContact CG1-CB 4.11Å
447	L	96.4	Very high	91.6	Very high	5 Å²	5	62.9 Å²	62.9	3%	0.026	33%	0.332	C	S	.	.	H	α-helix	trans	-72	-39.9	175.6	-66.8	170.6	0	0	0	111.4	D443 I444 G451 V452 Y456 V459 A483 M484 A487	D443-L447 VanDerWaalsContact O-CG 3.28Å; D443-L447 WeakPolarHBondContact O-CG 3.21Å; D443-L447 PolarHBondContact O-N 3.34Å; I444-L447 PolarHBondContact O-N 2.77Å; L447-G451 PolarHBondContact O-N 3.23Å; L447-V452 HydrophobicContact CB-CB 4.27Å; L447-V452 HydrophobicContact CB-CG2 4.35Å; L447-V452 HydrophobicContact CD2-CB 4.3Å; L447-V452 HydrophobicContact CD2-CG1 4.37Å; L447-V452 HydrophobicContact CD2-CG2 3.85Å; L447-V452 WeakPolarHBondContact O-CB 3.42Å; L447-V452 PolarHBondContact O-N 3.13Å; L447-Y456 HydrophobicContact CD1-CD2 3.95Å; L447-Y456 HydrophobicContact CD1-CG 4.46Å; L447-V459 HydrophobicContact CD1-CB 4.38Å; L447-V459 HydrophobicContact CD1-CG1 4.36Å; L447-V459 HydrophobicContact CD1-CG2 4.39Å; L447-A483 HydrophobicContact CD2-CB 4.11Å; L447-M484 HydrophobicContact CD2-CG 4.16Å; L447-A487 HydrophobicContact CD1-CB 4.13Å; L447-A487 HydrophobicContact CD2-CB 4.34Å; L447-A487 HydrophobicContact CG-CB 4.39Å
448	E	95.4	Very high	92.8	Very high	141 Å²	141	65 Å²	65	66%	0.659	34%	0.34	S	S	*	.	H	α-helix	trans	-65.8	-46	176.6	-70.3	-173.8	-179.9	0	0	111.9	I444 D445 A450 G451	I444-E448 HydrophobicContact CG2-CG 4.14Å; I444-E448 WeakPolarHBondContact CG2-OE1 3.18Å; I444-E448 PolarHBondContact O-N 3.02Å; D445-E448 PolarHBondContact O-N 3.36Å; E448-A450 VanDerWaalsContact C-N 3.34Å; E448-A450 PolarHBondContact O-N 3.44Å; E448-G451 WeakPolarHBondContact O-CA 3.4Å; E448-G451 PolarHBondContact O-N 3.11Å
449	V	95.6	Very high	93.9	Very high	130 Å²	130	61.2 Å²	61.2	79%	0.788	32%	0.32	S	S	*	.	H	α-helix	trans	-64.3	-37.3	177.3	168.8	0	0	0	0	111.9	D445 G451	D445-V449 VanDerWaalsContact O-CB 3.32Å; D445-V449 WeakPolarHBondContact O-CB 3.43Å; D445-V449 WeakPolarHBondContact O-CG2 3.34Å; D445-V449 PolarHBondContact O-N 2.65Å; V449-G451 PolarHBondContact O-N 3.39Å
450	A	94.9	Very high	94.6	Very high	14 Å²	14	57.2 Å²	57.2	12%	0.116	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-7.1	172.4	0	0	0	0	0	113.2	V446 E448 V452 Q480 A483	V446-A450 VanDerWaalsContact O-CB 3.29Å; V446-A450 WeakPolarHBondContact O-CB 3.21Å; V446-A450 PolarHBondContact O-N 3.5Å; V446-A450 VanDerWaalsContact O-N 3.15Å; E448-A450 VanDerWaalsContact C-N 3.34Å; E448-A450 PolarHBondContact O-N 3.44Å; A450-V452 HydrophobicContact CB-CG2 4.13Å; A450-Q480 HydrophobicContact CB-CG 4.26Å; A450-Q480 WeakPolarHBondContact O-CG 3.29Å; A450-Q480 PolarHBondContact O-NE2 3.21Å; A450-A483 HydrophobicContact CB-CB 4.13Å
451	G	94.8	Very high	95	Very high	45 Å²	45	59.6 Å²	59.6	46%	0.464	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	67	32.7	-179.1	0	0	0	0	0	113.8	L447 E448 V449 Q480	L447-G451 PolarHBondContact O-N 3.23Å; E448-G451 WeakPolarHBondContact O-CA 3.4Å; E448-G451 PolarHBondContact O-N 3.11Å; V449-G451 PolarHBondContact O-N 3.39Å; G451-Q480 PolarHBondContact O-NE2 3.44Å; G451-Q480 VanDerWaalsContact O-NE2 3.11Å
452	V	95.6	Very high	95.2	Very high	16 Å²	16	57.1 Å²	57.1	10%	0.097	30%	0.304	C	S	.	.			trans	-65.3	125.6	-179.6	175.6	0	0	0	0	109.9	L447 A450 F454 V459 Q480 M484	L447-V452 HydrophobicContact CB-CB 4.27Å; L447-V452 HydrophobicContact CB-CG2 4.35Å; L447-V452 HydrophobicContact CD2-CB 4.3Å; L447-V452 HydrophobicContact CD2-CG1 4.37Å; L447-V452 HydrophobicContact CD2-CG2 3.85Å; L447-V452 WeakPolarHBondContact O-CB 3.42Å; L447-V452 PolarHBondContact O-N 3.13Å; A450-V452 HydrophobicContact CB-CG2 4.13Å; V452-F454 HydrophobicContact CG1-CB 4.17Å; V452-F454 HydrophobicContact CG1-CD2 3.83Å; V452-F454 HydrophobicContact CG1-CG 4.43Å; V452-F454 PolarHBondContact O-N 2.88Å; V452-V459 HydrophobicContact CG1-CG2 4.49Å; V452-Q480 HydrophobicContact CG2-CB 3.95Å; V452-Q480 HydrophobicContact CG2-CG 3.89Å; V452-M484 HydrophobicContact CG1-CG 3.72Å; V452-M484 HydrophobicContact CG1-SD 3.93Å; V452-M484 HydrophobicContact CG2-CG 4.14Å
453	P	94.9	Very high	95.4	Very high	85 Å²	85	54.4 Å²	54.4	55%	0.552	30%	0.302	S	S	*	.	S	Bend	trans	-81.7	29.7	-174.5	35.2	-38.1	0	0	0	113.9	L476	P453-L476 HydrophobicContact CG-CD2 3.72Å
454	F	95.3	Very high	95.3	Very high	45 Å²	45	59.6 Å²	59.6	20%	0.197	33%	0.33	C	S	.	.	S	Bend	trans	-139.2	152.1	-176.7	-51.6	-60.9	0	0	0	110.3	V452 D458 V459 L470 T473 L476 M484	V452-F454 HydrophobicContact CG1-CB 4.17Å; V452-F454 HydrophobicContact CG1-CD2 3.83Å; V452-F454 HydrophobicContact CG1-CG 4.43Å; V452-F454 PolarHBondContact O-N 2.88Å; F454-D458 HydrophobicContact CB-CB 4.34Å; F454-V459 HydrophobicContact CB-CG2 4.16Å; F454-L470 HydrophobicContact CD1-CD2 3.59Å; F454-L470 HydrophobicContact CD2-CD2 4.28Å; F454-L470 HydrophobicContact CE1-CD2 3.55Å; F454-L470 HydrophobicContact CE2-CB 4.26Å; F454-L470 HydrophobicContact CE2-CD2 4.23Å; F454-L470 HydrophobicContact CG-CD2 3.98Å; F454-L470 HydrophobicContact CZ-CB 4.44Å; F454-L470 HydrophobicContact CZ-CD2 3.88Å; F454-T473 HydrophobicContact CZ-CG2 4.11Å; F454-T473 WeakPolarHBondContact CZ-OG1 3.29Å; F454-L476 HydrophobicContact CE2-CD1 4.07Å; F454-L476 HydrophobicContact CE2-CD2 4.05Å; F454-M484 HydrophobicContact CD2-CE 3.69Å; F454-M484 HydrophobicContact CD2-SD 4.06Å; F454-M484 HydrophobicContact CE2-CE 3.82Å; F454-M484 HydrophobicContact CE2-SD 4.2Å
455	S	94.9	Very high	95.4	Very high	46 Å²	46	62 Å²	62	32%	0.322	34%	0.34	S	S	.	.			trans	-69.7	157.8	174.2	71.7	0	0	0	0	111.5	E457 D458 V459	S455-E457 PolarHBondContact O-N 3.21Å; S455-D458 WeakPolarHBondContact CB-OD2 3.35Å; S455-D458 PolarHBondContact N-OD2 3.38Å; S455-D458 VanDerWaalsContact N-OD2 3.08Å; S455-D458 PolarHBondContact O-N 3.44Å; S455-D458 PolarHBondContact OG-N 2.86Å; S455-D458 PolarHBondContact OG-OD2 3.3Å; S455-V459 WeakPolarHBondContact O-CG2 3.34Å; S455-V459 PolarHBondContact O-N 3.16Å; S455-V459 VanDerWaalsContact O-N 3.1Å
456	Y	95.3	Very high	95.5	Very high	16 Å²	16	63.2 Å²	63.2	6%	0.063	34%	0.343	C	S	.	.	H	α-helix	trans	-58.6	-36.6	171.5	165.2	-91.6	0	0	0	110.9	D443 I444 L447 V459 V460 R494	D443-Y456 HydrophobicContact CB-CD2 3.95Å; D443-Y456 HydrophobicContact CB-CE2 3.53Å; I444-Y456 HydrophobicContact CG1-CD1 4.21Å; I444-Y456 HydrophobicContact CG1-CD2 4.07Å; I444-Y456 HydrophobicContact CG1-CG 3.73Å; L447-Y456 HydrophobicContact CD1-CD2 3.95Å; L447-Y456 HydrophobicContact CD1-CG 4.46Å; Y456-V459 PolarHBondContact O-N 2.9Å; Y456-V460 HydrophobicContact CD2-CG2 3.94Å; Y456-V460 HydrophobicContact CE1-CB 4.41Å; Y456-V460 HydrophobicContact CE1-CG2 4.27Å; Y456-V460 HydrophobicContact CE2-CB 4.46Å; Y456-V460 HydrophobicContact CE2-CG2 3.49Å; Y456-V460 VanDerWaalsContact CE2-CG2 3.49Å; Y456-V460 HydrophobicContact CG-CG2 4.49Å; Y456-V460 VanDerWaalsContact O-CB 3.27Å; Y456-V460 WeakPolarHBondContact O-CB 3.31Å; Y456-V460 PolarHBondContact O-N 3.13Å; Y456-R494 PolarHBondContact OH-NH2 2.78Å
457	E	95.1	Very high	95.5	Very high	95 Å²	95	61 Å²	61	44%	0.444	33%	0.328	S	S	.	.	H	α-helix	trans	-60.4	-47.6	175.1	-73.1	60.9	-142.9	0	0	112.1	S455 V459 V460 Y461	S455-E457 PolarHBondContact O-N 3.21Å; E457-V459 VanDerWaalsContact C-N 3.32Å; E457-V459 PolarHBondContact O-N 3.14Å; E457-V460 PolarHBondContact O-N 2.92Å; E457-Y461 HydrophobicContact CB-CD2 4.12Å; E457-Y461 HydrophobicContact CG-CD2 4.23Å; E457-Y461 HydrophobicContact CG-CE2 4.25Å; E457-Y461 WeakPolarHBondContact O-CB 3.47Å; E457-Y461 PolarHBondContact O-N 3.29Å
458	D	96.1	Very high	95.5	Very high	82 Å²	82	66.9 Å²	66.9	44%	0.439	35%	0.35	S	S	.	.	H	α-helix	trans	-61.1	-42.5	177	-60.1	-48.2	0	0	0	111	F454 S455 S462 L470	F454-D458 HydrophobicContact CB-CB 4.34Å; S455-D458 WeakPolarHBondContact CB-OD2 3.35Å; S455-D458 PolarHBondContact N-OD2 3.38Å; S455-D458 VanDerWaalsContact N-OD2 3.08Å; S455-D458 PolarHBondContact O-N 3.44Å; S455-D458 PolarHBondContact OG-N 2.86Å; S455-D458 PolarHBondContact OG-OD2 3.3Å; D458-S462 WeakPolarHBondContact O-CB 3.46Å; D458-S462 PolarHBondContact O-N 3.3Å; D458-S462 PolarHBondContact O-OG 3.25Å; D458-L470 HydrophobicContact CB-CD1 4.33Å; D458-L470 WeakPolarHBondContact O-CD1 3.47Å
459	V	96.6	Very high	95.5	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-66.6	-40.8	178.7	169.7	0	0	0	0	111.8	L447 V452 F454 S455 Y456 E457 S462 F467 M484 A487 R488	L447-V459 HydrophobicContact CD1-CB 4.38Å; L447-V459 HydrophobicContact CD1-CG1 4.36Å; L447-V459 HydrophobicContact CD1-CG2 4.39Å; V452-V459 HydrophobicContact CG1-CG2 4.49Å; F454-V459 HydrophobicContact CB-CG2 4.16Å; S455-V459 WeakPolarHBondContact O-CG2 3.34Å; S455-V459 PolarHBondContact O-N 3.16Å; S455-V459 VanDerWaalsContact O-N 3.1Å; Y456-V459 PolarHBondContact O-N 2.9Å; E457-V459 VanDerWaalsContact C-N 3.32Å; E457-V459 PolarHBondContact O-N 3.14Å; V459-S462 PolarHBondContact O-OG 3.2Å; V459-F467 HydrophobicContact CG1-CE2 4.26Å; V459-M484 HydrophobicContact CG1-CB 4.11Å; V459-M484 HydrophobicContact CG1-CG 4.42Å; V459-M484 VanDerWaalsContact CG1-O 3.32Å; V459-M484 WeakPolarHBondContact CG1-O 3.33Å; V459-M484 HydrophobicContact CG2-CE 4.32Å; V459-M484 HydrophobicContact CG2-CG 3.99Å; V459-A487 HydrophobicContact CG1-CB 4.2Å; V459-R488 HydrophobicContact CG1-CB 4.49Å; V459-R488 WeakPolarHBondContact O-CD 3.38Å; V459-R488 WeakPolarHBondContact O-CG 3.39Å
460	V	95.4	Very high	95.6	Very high	6 Å²	6	61 Å²	61	4%	0.036	32%	0.315	C	S	.	.	H	α-helix	trans	-91.6	-40.5	-169.8	160.4	0	0	0	0	114.1	Y456 E457 A491	Y456-V460 HydrophobicContact CD2-CG2 3.94Å; Y456-V460 HydrophobicContact CE1-CB 4.41Å; Y456-V460 HydrophobicContact CE1-CG2 4.27Å; Y456-V460 HydrophobicContact CE2-CB 4.46Å; Y456-V460 HydrophobicContact CE2-CG2 3.49Å; Y456-V460 VanDerWaalsContact CE2-CG2 3.49Å; Y456-V460 HydrophobicContact CG-CG2 4.49Å; Y456-V460 VanDerWaalsContact O-CB 3.27Å; Y456-V460 WeakPolarHBondContact O-CB 3.31Å; Y456-V460 PolarHBondContact O-N 3.13Å; E457-V460 PolarHBondContact O-N 2.92Å; V460-A491 HydrophobicContact CB-CB 4.1Å; V460-A491 HydrophobicContact CG1-CB 3.29Å; V460-A491 HydrophobicContact CG2-CB 3.68Å
461	Y	94.9	Very high	95.6	Very high	148 Å²	148	65.9 Å²	65.9	58%	0.58	33%	0.33	S	S	*	.	H	α-helix	trans	-98.9	-7	-173.5	-59.5	-64.3	0	0	0	113.9	E457	E457-Y461 HydrophobicContact CB-CD2 4.12Å; E457-Y461 HydrophobicContact CG-CD2 4.23Å; E457-Y461 HydrophobicContact CG-CE2 4.25Å; E457-Y461 WeakPolarHBondContact O-CB 3.47Å; E457-Y461 PolarHBondContact O-N 3.29Å
462	S	94.6	Very high	95.6	Very high	15 Å²	15	67.3 Å²	67.3	11%	0.105	34%	0.338	C	S	.	.			trans	-55.2	145.7	171	45.4	0	0	0	0	112.8	D458 V459 R488	D458-S462 WeakPolarHBondContact O-CB 3.46Å; D458-S462 PolarHBondContact O-N 3.3Å; D458-S462 PolarHBondContact O-OG 3.25Å; V459-S462 PolarHBondContact O-OG 3.2Å; S462-R488 PolarHBondContact O-NH2 3.12Å
463	T	95.8	Very high	95.5	Very high	75 Å²	75	69.4 Å²	69.4	46%	0.46	35%	0.351	S	S	.	.			trans	-62.1	166.8	165.7	64.7	0	0	0	0	111.2	E465 E466 F467 R488	T463-E465 PolarHBondContact O-N 3.21Å; T463-E466 VanDerWaalsContact CB-OE2 3.26Å; T463-E466 WeakPolarHBondContact CB-OE2 3.38Å; T463-E466 VanDerWaalsContact CG2-OE2 3.28Å; T463-E466 WeakPolarHBondContact CG2-OE2 3.24Å; T463-E466 PolarHBondContact N-OE2 2.91Å; T463-E466 PolarHBondContact O-N 3.49Å; T463-E466 WeakPolarHBondContact OG1-CG 3.38Å; T463-E466 PolarHBondContact OG1-N 3.4Å; T463-E466 PolarHBondContact OG1-OE2 3.09Å; T463-F467 WeakPolarHBondContact O-CB 3.39Å; T463-F467 PolarHBondContact O-N 3.05Å; T463-R488 PolarHBondContact O-NH2 2.96Å
464	N	94.6	Very high	95.2	Very high	110 Å²	110	77.1 Å²	77.1	59%	0.588	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-17.1	176.9	-73	-31.8	0	0	0	114	R468 R488	N464-R468 WeakPolarHBondContact O-CG 3.4Å; N464-R468 PolarHBondContact O-NE 3.31Å; N464-R468 PolarHBondContact O-NH2 3.18Å; N464-R488 PolarHBondContact OD1-NH1 3.25Å; N464-R488 PolarHBondContact OD1-NH2 3Å
465	E	96.7	Very high	95	Very high	89 Å²	89	78.7 Å²	78.7	42%	0.416	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-54.7	173.1	-169.4	64	-115	0	0	110.2	T463 F467 R468 H469	T463-E465 PolarHBondContact O-N 3.21Å; E465-F467 VanDerWaalsContact C-N 3.31Å; E465-F467 PolarHBondContact O-N 3Å; E465-R468 VanDerWaalsContact CD-NH2 3.3Å; E465-R468 WeakPolarHBondContact O-CA 3.4Å; E465-R468 WeakPolarHBondContact O-CB 3.31Å; E465-R468 PolarHBondContact O-N 3Å; E465-R468 IonicContact OE1-CZ 3.82Å; E465-R468 IonicContact OE1-NH1 2.68Å; E465-R468 PolarHBondContact OE1-NH1 2.94Å; E465-R468 IonicContact OE1-NH2 3.62Å; E465-R468 IonicContact OE2-CZ 2.71Å; E465-R468 VanDerWaalsContact OE2-CZ 3.29Å; E465-R468 IonicContact OE2-NH1 3.07Å; E465-R468 PolarHBondContact OE2-NH1 2.95Å; E465-R468 IonicContact OE2-NH2 2.66Å; E465-R468 PolarHBondContact OE2-NH2 3.5Å; E465-H469 PolarHBondContact O-CD2 3.21Å; E465-H469 PolarHBondContact O-N 2.97Å; E465-H469 IonicContact OE1-CE1 3.39Å; E465-H469 IonicContact OE1-NE2 2.66Å; E465-H469 PolarHBondContact OE1-NE2 3.43Å
466	E	96.4	Very high	95	Very high	102 Å²	102	77.8 Å²	77.8	48%	0.477	39%	0.389	S	S	.	.	H	α-helix	trans	-55.1	-45.1	176.6	-69.8	155.7	159	0	0	111.5	T463 R468 H469 L470	T463-E466 VanDerWaalsContact CB-OE2 3.26Å; T463-E466 WeakPolarHBondContact CB-OE2 3.38Å; T463-E466 VanDerWaalsContact CG2-OE2 3.28Å; T463-E466 WeakPolarHBondContact CG2-OE2 3.24Å; T463-E466 PolarHBondContact N-OE2 2.91Å; T463-E466 PolarHBondContact O-N 3.49Å; T463-E466 WeakPolarHBondContact OG1-CG 3.38Å; T463-E466 PolarHBondContact OG1-N 3.4Å; T463-E466 PolarHBondContact OG1-OE2 3.09Å; E466-R468 VanDerWaalsContact C-N 3.27Å; E466-R468 PolarHBondContact O-N 2.95Å; E466-H469 CarbonylContact O-C 3.57Å; E466-H469 WeakPolarHBondContact O-CA 3.34Å; E466-H469 WeakPolarHBondContact O-CB 3.39Å; E466-H469 PolarHBondContact O-N 2.95Å; E466-H469 VanDerWaalsContact O-N 3.07Å; E466-L470 WeakPolarHBondContact O-CG 3.35Å; E466-L470 PolarHBondContact O-N 3.42Å
467	F	96.9	Very high	95	Very high	15 Å²	15	80.1 Å²	80.1	7%	0.066	41%	0.405	C	S	.	.	H	α-helix	trans	-63.5	-31.2	177.1	-170.9	-109.5	0	0	0	113.5	V459 T463 E465 L470 R471 M484 R488	V459-F467 HydrophobicContact CG1-CE2 4.26Å; T463-F467 WeakPolarHBondContact O-CB 3.39Å; T463-F467 PolarHBondContact O-N 3.05Å; E465-F467 VanDerWaalsContact C-N 3.31Å; E465-F467 PolarHBondContact O-N 3Å; F467-L470 HydrophobicContact CD2-CD1 4.45Å; F467-R471 HydrophobicContact CD1-CG 4.47Å; F467-R471 VanDerWaalsContact CE1-CD 3.48Å; F467-R471 HydrophobicContact CE1-CG 4.07Å; F467-R471 HydrophobicContact CZ-CG 4.1Å; F467-R471 WeakPolarHBondContact O-CG 3.32Å; F467-R471 PolarHBondContact O-N 2.93Å; F467-R471 VanDerWaalsContact O-N 3.07Å; F467-M484 HydrophobicContact CE2-CB 4.18Å; F467-M484 HydrophobicContact CE2-CE 4.21Å; F467-M484 HydrophobicContact CZ-CB 4.26Å; F467-R488 HydrophobicContact CE2-CB 4.43Å; F467-R488 VanDerWaalsContact CG-CD 3.49Å; F467-R488 HydrophobicContact CZ-CB 4.4Å
468	R	96.1	Very high	95	Very high	129 Å²	129	82 Å²	82	49%	0.487	41%	0.414	S	S	.	.	H	α-helix	trans	-70.1	-38.8	172.3	-82	-178.1	-75	109.4	-5.3	111.2	N464 E465 E466 A472	N464-R468 WeakPolarHBondContact O-CG 3.4Å; N464-R468 PolarHBondContact O-NE 3.31Å; N464-R468 PolarHBondContact O-NH2 3.18Å; E465-R468 VanDerWaalsContact CD-NH2 3.3Å; E465-R468 WeakPolarHBondContact O-CA 3.4Å; E465-R468 WeakPolarHBondContact O-CB 3.31Å; E465-R468 PolarHBondContact O-N 3Å; E465-R468 IonicContact OE1-CZ 3.82Å; E465-R468 IonicContact OE1-NH1 2.68Å; E465-R468 PolarHBondContact OE1-NH1 2.94Å; E465-R468 IonicContact OE1-NH2 3.62Å; E465-R468 IonicContact OE2-CZ 2.71Å; E465-R468 VanDerWaalsContact OE2-CZ 3.29Å; E465-R468 IonicContact OE2-NH1 3.07Å; E465-R468 PolarHBondContact OE2-NH1 2.95Å; E465-R468 IonicContact OE2-NH2 2.66Å; E465-R468 PolarHBondContact OE2-NH2 3.5Å; E466-R468 VanDerWaalsContact C-N 3.27Å; E466-R468 PolarHBondContact O-N 2.95Å; R468-A472 WeakPolarHBondContact O-CB 3.36Å; R468-A472 PolarHBondContact O-N 3.07Å
469	H	96	Very high	95	Very high	118 Å²	118	84.9 Å²	84.9	55%	0.546	42%	0.424	S	S	.	.	H	α-helix	trans	-64.6	-44.6	172	-67.7	-55.9	0	0	0	112.6	E465 E466 R471 A472 T473	E465-H469 PolarHBondContact O-CD2 3.21Å; E465-H469 PolarHBondContact O-N 2.97Å; E465-H469 IonicContact OE1-CE1 3.39Å; E465-H469 IonicContact OE1-NE2 2.66Å; E465-H469 PolarHBondContact OE1-NE2 3.43Å; E466-H469 CarbonylContact O-C 3.57Å; E466-H469 WeakPolarHBondContact O-CA 3.34Å; E466-H469 WeakPolarHBondContact O-CB 3.39Å; E466-H469 PolarHBondContact O-N 2.95Å; E466-H469 VanDerWaalsContact O-N 3.07Å; H469-R471 PolarHBondContact O-N 3.43Å; H469-A472 PolarHBondContact O-N 3.48Å; H469-T473 PolarHBondContact O-N 2.95Å; H469-T473 PolarHBondContact O-OG1 2.83Å
470	L	95.8	Very high	95	Very high	30 Å²	30	86 Å²	86	16%	0.157	43%	0.43	C	S	.	.	H	α-helix	trans	-55	-50.8	175.1	-68.2	175.9	0	0	0	110.5	F454 D458 E466 F467 A472 T473 L476 M484	F454-L470 HydrophobicContact CD1-CD2 3.59Å; F454-L470 HydrophobicContact CD2-CD2 4.28Å; F454-L470 HydrophobicContact CE1-CD2 3.55Å; F454-L470 HydrophobicContact CE2-CB 4.26Å; F454-L470 HydrophobicContact CE2-CD2 4.23Å; F454-L470 HydrophobicContact CG-CD2 3.98Å; F454-L470 HydrophobicContact CZ-CB 4.44Å; F454-L470 HydrophobicContact CZ-CD2 3.88Å; D458-L470 HydrophobicContact CB-CD1 4.33Å; D458-L470 WeakPolarHBondContact O-CD1 3.47Å; E466-L470 WeakPolarHBondContact O-CG 3.35Å; E466-L470 PolarHBondContact O-N 3.42Å; F467-L470 HydrophobicContact CD2-CD1 4.45Å; L470-A472 VanDerWaalsContact C-N 3.25Å; L470-A472 PolarHBondContact O-N 3.27Å; L470-T473 VanDerWaalsContact O-CB 3.24Å; L470-T473 WeakPolarHBondContact O-CB 3.42Å; L470-T473 PolarHBondContact O-N 2.68Å; L470-T473 VanDerWaalsContact O-N 3.13Å; L470-T473 PolarHBondContact O-OG1 3.14Å; L470-L476 VanDerWaalsContact O-CD1 3.27Å; L470-L476 WeakPolarHBondContact O-CD1 3.29Å; L470-M484 HydrophobicContact CB-CE 3.85Å
471	R	95.7	Very high	95.1	Very high	117 Å²	117	87 Å²	87	44%	0.442	43%	0.434	S	S	.	.	H	α-helix	trans	-63.9	-23.5	176.1	-73.4	-173.7	66	-165.9	3.3	114.7	F467 H469 T473 L481 M484	F467-R471 HydrophobicContact CD1-CG 4.47Å; F467-R471 VanDerWaalsContact CE1-CD 3.48Å; F467-R471 HydrophobicContact CE1-CG 4.07Å; F467-R471 HydrophobicContact CZ-CG 4.1Å; F467-R471 WeakPolarHBondContact O-CG 3.32Å; F467-R471 PolarHBondContact O-N 2.93Å; F467-R471 VanDerWaalsContact O-N 3.07Å; H469-R471 PolarHBondContact O-N 3.43Å; R471-T473 VanDerWaalsContact C-N 3.3Å; R471-L481 HydrophobicContact CB-CD2 3.93Å; R471-L481 HydrophobicContact CG-CD2 3.91Å; R471-M484 HydrophobicContact CG-CE 4.37Å
472	A	94.3	Very high	95.2	Very high	75 Å²	75	83.4 Å²	83.4	62%	0.62	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-0.4	176.9	0	0	0	0	0	113.5	R468 H469 L470 R474	R468-A472 WeakPolarHBondContact O-CB 3.36Å; R468-A472 PolarHBondContact O-N 3.07Å; H469-A472 PolarHBondContact O-N 3.48Å; L470-A472 VanDerWaalsContact C-N 3.25Å; L470-A472 PolarHBondContact O-N 3.27Å; A472-R474 PolarHBondContact O-N 3.44Å
473	T	93.3	Very high	95.3	Very high	60 Å²	60	83.1 Å²	83.1	37%	0.368	43%	0.427	S	S	.	.			trans	-63.7	131.1	177.4	-55	0	0	0	0	110.7	F454 H469 L470 R471	F454-T473 HydrophobicContact CZ-CG2 4.11Å; F454-T473 WeakPolarHBondContact CZ-OG1 3.29Å; H469-T473 PolarHBondContact O-N 2.95Å; H469-T473 PolarHBondContact O-OG1 2.83Å; L470-T473 VanDerWaalsContact O-CB 3.24Å; L470-T473 WeakPolarHBondContact O-CB 3.42Å; L470-T473 PolarHBondContact O-N 2.68Å; L470-T473 VanDerWaalsContact O-N 3.13Å; L470-T473 PolarHBondContact O-OG1 3.14Å; R471-T473 VanDerWaalsContact C-N 3.3Å
474	R	89	Confident	95.4	Very high	247 Å²	247	79.6 Å²	79.6	93%	0.932	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	137.1	-179.3	-66.6	-173.9	178.9	178.4	0.1	110.8	A472	A472-R474 PolarHBondContact O-N 3.44Å
475	G	91.1	Very high	95.5	Very high	77 Å²	77	76.2 Å²	76.2	79%	0.794	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.3	-0.4	174.9	0	0	0	0	0	115.4
476	L	94.8	Very high	95.5	Very high	28 Å²	28	73.7 Å²	73.7	15%	0.147	38%	0.379	C	S	.	.			trans	-70.3	138	172.6	-63.1	175.5	0	0	0	111.5	P453 F454 L470 Q480 L481 M484	P453-L476 HydrophobicContact CG-CD2 3.72Å; F454-L476 HydrophobicContact CE2-CD1 4.07Å; F454-L476 HydrophobicContact CE2-CD2 4.05Å; L470-L476 VanDerWaalsContact O-CD1 3.27Å; L470-L476 WeakPolarHBondContact O-CD1 3.29Å; L476-Q480 VanDerWaalsContact CA-OE1 3.29Å; L476-L481 HydrophobicContact CB-CD2 4.19Å; L476-L481 HydrophobicContact CB-CG 4.22Å; L476-L481 HydrophobicContact CD1-CD2 3.8Å; L476-M484 HydrophobicContact CD1-SD 4.24Å
477	T	95.8	Very high	95.5	Very high	65 Å²	65	68.9 Å²	68.9	40%	0.399	36%	0.357	S	S	.	.			trans	-84	160.6	173.1	70.4	0	0	0	0	111.4	E479 Q480 L481	T477-E479 PolarHBondContact O-N 3.42Å; T477-Q480 WeakPolarHBondContact O-CB 3.47Å; T477-Q480 PolarHBondContact O-N 3.33Å; T477-Q480 VanDerWaalsContact O-N 3.14Å; T477-Q480 VanDerWaalsContact OG1-CG 3.3Å; T477-Q480 WeakPolarHBondContact OG1-CG 3.44Å; T477-Q480 PolarHBondContact OG1-N 3.35Å; T477-Q480 VanDerWaalsContact OG1-N 3.16Å; T477-L481 WeakPolarHBondContact O-CG 3.37Å; T477-L481 PolarHBondContact O-N 3.41Å
478	E	95.5	Very high	95.5	Very high	135 Å²	135	69.9 Å²	69.9	63%	0.631	36%	0.36	S	S	*	.	H	α-helix	trans	-63.1	-31.2	175.3	-172.2	58.5	-158.8	0	0	112.1	L481 T482	E478-L481 PolarHBondContact O-N 3.38Å; E478-T482 VanDerWaalsContact O-CB 3.27Å; E478-T482 WeakPolarHBondContact O-CB 3.15Å; E478-T482 PolarHBondContact O-N 3Å; E478-T482 PolarHBondContact O-OG1 3.44Å
479	E	96	Very high	95.5	Very high	141 Å²	141	71.4 Å²	71.4	66%	0.659	37%	0.366	S	S	*	.	H	α-helix	trans	-62.3	-45.1	172.4	-177.7	172.3	-161.6	0	0	111.5	T477 T482 A483	T477-E479 PolarHBondContact O-N 3.42Å; E479-T482 PolarHBondContact O-N 2.98Å; E479-A483 WeakPolarHBondContact O-CB 3.43Å; E479-A483 PolarHBondContact O-N 3.15Å
480	Q	97.1	Very high	95.6	Very high	24 Å²	24	69.5 Å²	69.5	11%	0.112	35%	0.354	C	S	.	.	H	α-helix	trans	-64.5	-45.9	175.1	-72.4	167.2	-8.4	0	0	112	A450 G451 V452 L476 T477 T482 A483 M484	A450-Q480 HydrophobicContact CB-CG 4.26Å; A450-Q480 WeakPolarHBondContact O-CG 3.29Å; A450-Q480 PolarHBondContact O-NE2 3.21Å; G451-Q480 PolarHBondContact O-NE2 3.44Å; G451-Q480 VanDerWaalsContact O-NE2 3.11Å; V452-Q480 HydrophobicContact CG2-CB 3.95Å; V452-Q480 HydrophobicContact CG2-CG 3.89Å; L476-Q480 VanDerWaalsContact CA-OE1 3.29Å; T477-Q480 WeakPolarHBondContact O-CB 3.47Å; T477-Q480 PolarHBondContact O-N 3.33Å; T477-Q480 VanDerWaalsContact O-N 3.14Å; T477-Q480 VanDerWaalsContact OG1-CG 3.3Å; T477-Q480 WeakPolarHBondContact OG1-CG 3.44Å; T477-Q480 PolarHBondContact OG1-N 3.35Å; T477-Q480 VanDerWaalsContact OG1-N 3.16Å; Q480-T482 VanDerWaalsContact C-N 3.27Å; Q480-T482 PolarHBondContact O-N 3.17Å; Q480-A483 PolarHBondContact O-N 2.95Å; Q480-M484 WeakPolarHBondContact O-CB 3.36Å; Q480-M484 VanDerWaalsContact O-CG 3.22Å; Q480-M484 WeakPolarHBondContact O-CG 3.45Å; Q480-M484 PolarHBondContact O-N 2.86Å
481	L	97.3	Very high	95.5	Very high	26 Å²	26	68.3 Å²	68.3	14%	0.136	35%	0.348	C	S	.	.	H	α-helix	trans	-61.5	-37.4	177	-68.4	173.1	0	0	0	112	R471 L476 T477 E478 S485	R471-L481 HydrophobicContact CB-CD2 3.93Å; R471-L481 HydrophobicContact CG-CD2 3.91Å; L476-L481 HydrophobicContact CB-CD2 4.19Å; L476-L481 HydrophobicContact CB-CG 4.22Å; L476-L481 HydrophobicContact CD1-CD2 3.8Å; T477-L481 WeakPolarHBondContact O-CG 3.37Å; T477-L481 PolarHBondContact O-N 3.41Å; E478-L481 PolarHBondContact O-N 3.38Å; L481-S485 WeakPolarHBondContact O-CB 3.46Å; L481-S485 PolarHBondContact O-N 2.97Å; L481-S485 VanDerWaalsContact O-N 3.1Å; L481-S485 PolarHBondContact O-OG 3.26Å
482	T	96.8	Very high	95.5	Very high	74 Å²	74	66 Å²	66	45%	0.454	35%	0.348	S	S	.	.	H	α-helix	trans	-65.2	-54.1	173.1	-61.6	0	0	0	0	110.2	E478 E479 Q480 M484 S485 D486	E478-T482 VanDerWaalsContact O-CB 3.27Å; E478-T482 WeakPolarHBondContact O-CB 3.15Å; E478-T482 PolarHBondContact O-N 3Å; E478-T482 PolarHBondContact O-OG1 3.44Å; E479-T482 PolarHBondContact O-N 2.98Å; Q480-T482 VanDerWaalsContact C-N 3.27Å; Q480-T482 PolarHBondContact O-N 3.17Å; T482-M484 PolarHBondContact O-N 3.37Å; T482-S485 PolarHBondContact O-N 2.89Å; T482-S485 VanDerWaalsContact O-N 3.15Å; T482-D486 WeakPolarHBondContact O-CB 3.28Å; T482-D486 PolarHBondContact O-N 3.41Å
483	A	96.9	Very high	95.6	Very high	9 Å²	9	67.8 Å²	67.8	7%	0.074	35%	0.347	C	S	.	.	H	α-helix	trans	-55.7	-45.9	179.8	0	0	0	0	0	112.7	V446 L447 A450 E479 Q480 D486 A487	V446-A483 HydrophobicContact CG1-CB 4.11Å; L447-A483 HydrophobicContact CD2-CB 4.11Å; A450-A483 HydrophobicContact CB-CB 4.13Å; E479-A483 WeakPolarHBondContact O-CB 3.43Å; E479-A483 PolarHBondContact O-N 3.15Å; Q480-A483 PolarHBondContact O-N 2.95Å; A483-D486 PolarHBondContact O-N 2.95Å; A483-A487 WeakPolarHBondContact O-CB 3.21Å; A483-A487 PolarHBondContact O-N 3.28Å
484	M	97.7	Very high	95.6	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-58.9	-49.4	174.8	-71.8	170	68.9	0	0	112.2	L447 V452 F454 V459 F467 L470 R471 L476 Q480 T482 D486 R488	L447-M484 HydrophobicContact CD2-CG 4.16Å; V452-M484 HydrophobicContact CG1-CG 3.72Å; V452-M484 HydrophobicContact CG1-SD 3.93Å; V452-M484 HydrophobicContact CG2-CG 4.14Å; F454-M484 HydrophobicContact CD2-CE 3.69Å; F454-M484 HydrophobicContact CD2-SD 4.06Å; F454-M484 HydrophobicContact CE2-CE 3.82Å; F454-M484 HydrophobicContact CE2-SD 4.2Å; V459-M484 HydrophobicContact CG1-CB 4.11Å; V459-M484 HydrophobicContact CG1-CG 4.42Å; V459-M484 VanDerWaalsContact CG1-O 3.32Å; V459-M484 WeakPolarHBondContact CG1-O 3.33Å; V459-M484 HydrophobicContact CG2-CE 4.32Å; V459-M484 HydrophobicContact CG2-CG 3.99Å; F467-M484 HydrophobicContact CE2-CB 4.18Å; F467-M484 HydrophobicContact CE2-CE 4.21Å; F467-M484 HydrophobicContact CZ-CB 4.26Å; L470-M484 HydrophobicContact CB-CE 3.85Å; R471-M484 HydrophobicContact CG-CE 4.37Å; L476-M484 HydrophobicContact CD1-SD 4.24Å; Q480-M484 WeakPolarHBondContact O-CB 3.36Å; Q480-M484 VanDerWaalsContact O-CG 3.22Å; Q480-M484 WeakPolarHBondContact O-CG 3.45Å; Q480-M484 PolarHBondContact O-N 2.86Å; T482-M484 PolarHBondContact O-N 3.37Å; M484-D486 VanDerWaalsContact C-N 3.25Å; M484-D486 PolarHBondContact O-N 3.32Å; M484-R488 WeakPolarHBondContact O-CB 3.33Å; M484-R488 PolarHBondContact O-N 3.22Å; M484-R488 VanDerWaalsContact O-N 3.13Å
485	S	96.7	Very high	95.9	Very high	39 Å²	39	59.7 Å²	59.7	27%	0.273	31%	0.313	S	S	.	.	H	α-helix	trans	-62.5	-36.8	179.4	-59.3	0	0	0	0	111.4	L481 T482 R489	L481-S485 WeakPolarHBondContact O-CB 3.46Å; L481-S485 PolarHBondContact O-N 2.97Å; L481-S485 VanDerWaalsContact O-N 3.1Å; L481-S485 PolarHBondContact O-OG 3.26Å; T482-S485 PolarHBondContact O-N 2.89Å; T482-S485 VanDerWaalsContact O-N 3.15Å; S485-R489 VanDerWaalsContact O-CB 3.22Å; S485-R489 WeakPolarHBondContact O-CB 3.37Å; S485-R489 PolarHBondContact O-N 3.1Å
486	D	96.6	Very high	96.1	Very high	36 Å²	36	58.8 Å²	58.8	19%	0.193	30%	0.297	C	S	.	.	H	α-helix	trans	-74.9	-43.9	-177.4	-130.2	40.7	0	0	0	113.1	T482 A483 M484 R488 R489 R490	T482-D486 WeakPolarHBondContact O-CB 3.28Å; T482-D486 PolarHBondContact O-N 3.41Å; A483-D486 PolarHBondContact O-N 2.95Å; M484-D486 VanDerWaalsContact C-N 3.25Å; M484-D486 PolarHBondContact O-N 3.32Å; D486-R488 VanDerWaalsContact C-N 3.33Å; D486-R488 PolarHBondContact O-N 3.2Å; D486-R489 PolarHBondContact O-N 3.19Å; D486-R489 IonicContact OD1-CZ 3.29Å; D486-R489 IonicContact OD1-NE 3.47Å; D486-R489 PolarHBondContact OD1-NE 3.47Å; D486-R489 IonicContact OD1-NH2 3.9Å; D486-R489 PolarHBondContact OD1-NH2 3.37Å; D486-R489 IonicContact OD2-NH2 3.07Å; D486-R490 WeakPolarHBondContact O-CD 3.33Å; D486-R490 WeakPolarHBondContact O-CG 3.31Å; D486-R490 PolarHBondContact O-N 2.92Å; D486-R490 IonicContact OD2-CZ 2.75Å; D486-R490 IonicContact OD2-NE 2.85Å; D486-R490 PolarHBondContact OD2-NE 3.43Å; D486-R490 IonicContact OD2-NH2 3.88Å; D486-R490 PolarHBondContact OD2-NH2 3.41Å
487	A	95.9	Very high	96.2	Very high	1 Å²	1	59 Å²	59	1%	0.008	30%	0.303	C	S	.	.	H	α-helix	trans	-57.2	-47.1	172.1	0	0	0	0	0	111.1	D443 L447 V459 A483 R489 R490 A491	D443-A487 HydrophobicContact CB-CB 4.27Å; L447-A487 HydrophobicContact CD1-CB 4.13Å; L447-A487 HydrophobicContact CD2-CB 4.34Å; L447-A487 HydrophobicContact CG-CB 4.39Å; V459-A487 HydrophobicContact CG1-CB 4.2Å; A483-A487 WeakPolarHBondContact O-CB 3.21Å; A483-A487 PolarHBondContact O-N 3.28Å; A487-R489 PolarHBondContact O-N 3.06Å; A487-R490 PolarHBondContact O-N 3.41Å; A487-A491 WeakPolarHBondContact O-CB 3.21Å; A487-A491 PolarHBondContact O-N 3.1Å
488	R	97.1	Very high	96.3	Very high	36 Å²	36	57.8 Å²	57.8	14%	0.136	29%	0.293	C	S	.	.	H	α-helix	trans	-64.2	-40.5	177.4	-163.3	173.5	-168.9	-112.9	-6.2	112.6	V459 S462 T463 N464 F467 M484 D486 A491 T492	V459-R488 HydrophobicContact CG1-CB 4.49Å; V459-R488 WeakPolarHBondContact O-CD 3.38Å; V459-R488 WeakPolarHBondContact O-CG 3.39Å; S462-R488 PolarHBondContact O-NH2 3.12Å; T463-R488 PolarHBondContact O-NH2 2.96Å; N464-R488 PolarHBondContact OD1-NH1 3.25Å; N464-R488 PolarHBondContact OD1-NH2 3Å; F467-R488 HydrophobicContact CE2-CB 4.43Å; F467-R488 VanDerWaalsContact CG-CD 3.49Å; F467-R488 HydrophobicContact CZ-CB 4.4Å; M484-R488 WeakPolarHBondContact O-CB 3.33Å; M484-R488 PolarHBondContact O-N 3.22Å; M484-R488 VanDerWaalsContact O-N 3.13Å; D486-R488 VanDerWaalsContact C-N 3.33Å; D486-R488 PolarHBondContact O-N 3.2Å; R488-A491 PolarHBondContact O-N 3.37Å; R488-T492 WeakPolarHBondContact O-CB 3.47Å; R488-T492 WeakPolarHBondContact O-CG2 3.48Å; R488-T492 PolarHBondContact O-N 3.04Å; R488-T492 PolarHBondContact O-OG1 3.47Å
489	R	97.2	Very high	96.3	Very high	162 Å²	162	59.8 Å²	59.8	61%	0.611	30%	0.295	S	S	*	.	H	α-helix	trans	-61.7	-45.7	174.3	179.4	173.3	70.4	137.6	0.7	112	S485 D486 A487 T492 N493	S485-R489 VanDerWaalsContact O-CB 3.22Å; S485-R489 WeakPolarHBondContact O-CB 3.37Å; S485-R489 PolarHBondContact O-N 3.1Å; D486-R489 PolarHBondContact O-N 3.19Å; D486-R489 IonicContact OD1-CZ 3.29Å; D486-R489 IonicContact OD1-NE 3.47Å; D486-R489 PolarHBondContact OD1-NE 3.47Å; D486-R489 IonicContact OD1-NH2 3.9Å; D486-R489 PolarHBondContact OD1-NH2 3.37Å; D486-R489 IonicContact OD2-NH2 3.07Å; A487-R489 PolarHBondContact O-N 3.06Å; R489-T492 PolarHBondContact O-OG1 3.43Å; R489-T492 VanDerWaalsContact O-OG1 3.06Å; R489-N493 WeakPolarHBondContact O-CB 3.42Å; R489-N493 PolarHBondContact O-N 3.21Å; R489-N493 VanDerWaalsContact O-N 3.08Å
490	R	96.1	Very high	96.5	Very high	78 Å²	78	56.7 Å²	56.7	29%	0.294	29%	0.288	S	S	.	.	H	α-helix	trans	-64	-43.5	176.4	-64.7	163.6	-155.8	168.2	6.7	110.9	D443 D486 A487 N493 R494	D443-R490 WeakPolarHBondContact OD1-CD 3.28Å; D443-R490 IonicContact OD1-CZ 3.44Å; D443-R490 IonicContact OD1-NE 2.71Å; D443-R490 IonicContact OD1-NH1 2.6Å; D443-R490 PolarHBondContact OD1-NH1 2.64Å; D486-R490 WeakPolarHBondContact O-CD 3.33Å; D486-R490 WeakPolarHBondContact O-CG 3.31Å; D486-R490 PolarHBondContact O-N 2.92Å; D486-R490 IonicContact OD2-CZ 2.75Å; D486-R490 IonicContact OD2-NE 2.85Å; D486-R490 PolarHBondContact OD2-NE 3.43Å; D486-R490 IonicContact OD2-NH2 3.88Å; D486-R490 PolarHBondContact OD2-NH2 3.41Å; A487-R490 PolarHBondContact O-N 3.41Å; R490-N493 PolarHBondContact O-N 2.93Å; R490-R494 WeakPolarHBondContact O-CG 3.49Å; R490-R494 PolarHBondContact O-N 3.19Å
491	A	94.8	Very high	96.5	Very high	4 Å²	4	62.5 Å²	62.5	3%	0.033	31%	0.309	C	S	.	.	H	α-helix	trans	-66.8	-45.9	-179.1	0	0	0	0	0	113.5	V460 A487 R488 N493 R494 Q495	V460-A491 HydrophobicContact CB-CB 4.1Å; V460-A491 HydrophobicContact CG1-CB 3.29Å; V460-A491 HydrophobicContact CG2-CB 3.68Å; A487-A491 WeakPolarHBondContact O-CB 3.21Å; A487-A491 PolarHBondContact O-N 3.1Å; R488-A491 PolarHBondContact O-N 3.37Å; A491-N493 VanDerWaalsContact C-N 3.33Å; A491-N493 PolarHBondContact O-N 3.33Å; A491-R494 WeakPolarHBondContact O-CB 3.21Å; A491-R494 PolarHBondContact O-N 2.9Å; A491-Q495 WeakPolarHBondContact O-CG 3.47Å; A491-Q495 PolarHBondContact O-N 2.92Å
492	T	95.5	Very high	96.5	Very high	70 Å²	70	68.8 Å²	68.8	43%	0.429	33%	0.331	S	S	.	.	H	α-helix	trans	-62.3	-39.5	174.8	48.2	0	0	0	0	111.7	R488 R489 Q495 A496	R488-T492 WeakPolarHBondContact O-CB 3.47Å; R488-T492 WeakPolarHBondContact O-CG2 3.48Å; R488-T492 PolarHBondContact O-N 3.04Å; R488-T492 PolarHBondContact O-OG1 3.47Å; R489-T492 PolarHBondContact O-OG1 3.43Å; R489-T492 VanDerWaalsContact O-OG1 3.06Å; T492-Q495 PolarHBondContact O-N 2.82Å; T492-A496 WeakPolarHBondContact O-CB 3.36Å; T492-A496 PolarHBondContact O-N 3.15Å
493	N	96.5	Very high	96.6	Very high	111 Å²	111	69.1 Å²	69.1	59%	0.594	34%	0.336	S	S	*	.	H	α-helix	trans	-62	-44.7	171.2	-173.4	-68.7	0	0	0	112.2	R489 R490 A491 Q495 A496 A497	R489-N493 WeakPolarHBondContact O-CB 3.42Å; R489-N493 PolarHBondContact O-N 3.21Å; R489-N493 VanDerWaalsContact O-N 3.08Å; R490-N493 PolarHBondContact O-N 2.93Å; A491-N493 VanDerWaalsContact C-N 3.33Å; A491-N493 PolarHBondContact O-N 3.33Å; N493-Q495 VanDerWaalsContact C-N 3.3Å; N493-Q495 PolarHBondContact O-N 2.98Å; N493-A496 PolarHBondContact O-N 2.91Å; N493-A497 WeakPolarHBondContact O-CB 3.37Å; N493-A497 PolarHBondContact O-N 2.98Å
494	R	94.2	Very high	96.6	Very high	63 Å²	63	76 Å²	76	24%	0.238	36%	0.364	C	S	.	.	H	α-helix	trans	-55.5	-44.6	174	-74.9	-175.3	-67.1	-103.2	7.2	111.6	R439 D443 Y456 R490 A491 E498	R439-R494 PolarHBondContact O-NH1 2.8Å; D443-R494 IonicContact OD2-CZ 3.63Å; D443-R494 IonicContact OD2-NH1 3.39Å; D443-R494 PolarHBondContact OD2-NH1 3.04Å; D443-R494 IonicContact OD2-NH2 2.65Å; D443-R494 PolarHBondContact OD2-NH2 3.02Å; Y456-R494 PolarHBondContact OH-NH2 2.78Å; R490-R494 WeakPolarHBondContact O-CG 3.49Å; R490-R494 PolarHBondContact O-N 3.19Å; A491-R494 WeakPolarHBondContact O-CB 3.21Å; A491-R494 PolarHBondContact O-N 2.9Å; R494-E498 WeakPolarHBondContact O-CB 3.39Å; R494-E498 PolarHBondContact O-N 2.71Å; R494-E498 VanDerWaalsContact O-N 3.09Å
495	Q	93.5	Very high	96.6	Very high	75 Å²	75	79.1 Å²	79.1	35%	0.35	38%	0.383	S	S	.	.	H	α-helix	trans	-67.2	-42.6	177.1	-67	177.9	21.5	0	0	112.3	A491 T492 N493 E498 R499	A491-Q495 WeakPolarHBondContact O-CG 3.47Å; A491-Q495 PolarHBondContact O-N 2.92Å; T492-Q495 PolarHBondContact O-N 2.82Å; N493-Q495 VanDerWaalsContact C-N 3.3Å; N493-Q495 PolarHBondContact O-N 2.98Å; Q495-E498 PolarHBondContact O-N 3.48Å; Q495-R499 WeakPolarHBondContact O-CG 3.39Å; Q495-R499 PolarHBondContact O-N 3.41Å
496	A	96.6	Very high	96.7	Very high	57 Å²	57	80 Å²	80	47%	0.471	39%	0.393	S	S	.	.	H	α-helix	trans	-63.8	-43.9	177.7	0	0	0	0	0	112.1	T492 N493 E498 R499 C500	T492-A496 WeakPolarHBondContact O-CB 3.36Å; T492-A496 PolarHBondContact O-N 3.15Å; N493-A496 PolarHBondContact O-N 2.91Å; A496-E498 VanDerWaalsContact C-N 3.31Å; A496-E498 PolarHBondContact O-N 3.2Å; A496-R499 PolarHBondContact O-N 3.48Å; A496-C500 VanDerWaalsContact O-CB 3.31Å; A496-C500 WeakPolarHBondContact O-CB 3.49Å; A496-C500 PolarHBondContact O-N 2.93Å
497	A	97.2	Very high	96.7	Very high	32 Å²	32	80.8 Å²	80.8	26%	0.264	40%	0.404	S	S	.	.	H	α-helix	trans	-63.2	-37.1	175.1	0	0	0	0	0	112.2	N493 R501	N493-A497 WeakPolarHBondContact O-CB 3.37Å; N493-A497 PolarHBondContact O-N 2.98Å; A497-R501 VanDerWaalsContact O-CG 3.31Å; A497-R501 WeakPolarHBondContact O-CG 3.46Å; A497-R501 PolarHBondContact O-N 2.6Å
498	E	96.1	Very high	96.7	Very high	40 Å²	40	88 Å²	88	19%	0.187	43%	0.431	C	S	.	.	H	α-helix	trans	-67.8	-44.4	174.5	-176.1	67.2	-161.9	0	0	112	R436 R494 Q495 A496 R501 R502	R436-E498 IonicContact CZ-OE2 3.2Å; R436-E498 IonicContact NH2-OE1 2.66Å; R436-E498 IonicContact NH2-OE2 3.77Å; R436-E498 PolarHBondContact NH2-OE2 3.42Å; R494-E498 WeakPolarHBondContact O-CB 3.39Å; R494-E498 PolarHBondContact O-N 2.71Å; R494-E498 VanDerWaalsContact O-N 3.09Å; Q495-E498 PolarHBondContact O-N 3.48Å; A496-E498 VanDerWaalsContact C-N 3.31Å; A496-E498 PolarHBondContact O-N 3.2Å; E498-R501 PolarHBondContact O-N 3.33Å; E498-R501 IonicContact OE2-NH1 3.77Å; E498-R502 VanDerWaalsContact CG-NH2 3.28Å; E498-R502 WeakPolarHBondContact O-CG 3.33Å; E498-R502 PolarHBondContact O-N 3.41Å; E498-R502 IonicContact OE1-CZ 3.85Å; E498-R502 IonicContact OE1-NE 2.98Å; E498-R502 PolarHBondContact OE1-NE 2.91Å; E498-R502 IonicContact OE1-NH2 3.15Å; E498-R502 PolarHBondContact OE1-NH2 3.26Å
499	R	97.3	Very high	96.8	Very high	178 Å²	178	89.1 Å²	89.1	67%	0.672	44%	0.44	S	S	*	.	H	α-helix	trans	-60.6	-43.8	172.9	-72.2	178.4	-175.7	-172.9	2.2	111.8	Q495 A496 R501 R502 S503	Q495-R499 WeakPolarHBondContact O-CG 3.39Å; Q495-R499 PolarHBondContact O-N 3.41Å; A496-R499 PolarHBondContact O-N 3.48Å; R499-R501 PolarHBondContact O-N 2.93Å; R499-R502 PolarHBondContact O-N 3.38Å; R499-S503 WeakPolarHBondContact O-CB 3.49Å; R499-S503 PolarHBondContact O-N 3.47Å
500	C	98.5	Very high	96.8	Very high	76 Å²	76	85.9 Å²	85.9	51%	0.514	43%	0.432	S	S	.	.	H	α-helix	trans	-59.9	-43.6	175.7	177.5	0	0	0	0	112.1	A496 K504	A496-C500 VanDerWaalsContact O-CB 3.31Å; A496-C500 WeakPolarHBondContact O-CB 3.49Å; A496-C500 PolarHBondContact O-N 2.93Å; C500-K504 WeakPolarHBondContact O-CB 3.34Å; C500-K504 PolarHBondContact O-N 2.95Å
501	R	98.5	Very high	96.8	Very high	145 Å²	145	87.6 Å²	87.6	55%	0.547	45%	0.446	S	S	.	.	H	α-helix	trans	-61.2	-46.9	173.6	-73.7	170.2	-172.8	140.6	4.1	112.1	A497 E498 R499 K504 V505	A497-R501 VanDerWaalsContact O-CG 3.31Å; A497-R501 WeakPolarHBondContact O-CG 3.46Å; A497-R501 PolarHBondContact O-N 2.6Å; E498-R501 PolarHBondContact O-N 3.33Å; E498-R501 IonicContact OE2-NH1 3.77Å; R499-R501 PolarHBondContact O-N 2.93Å; R501-K504 PolarHBondContact O-N 3.36Å; R501-V505 WeakPolarHBondContact O-CG2 3.47Å; R501-V505 PolarHBondContact O-N 3.45Å
502	R	97.7	Very high	96.9	Very high	159 Å²	159	90 Å²	90	60%	0.6	47%	0.466	S	S	*	.	H	α-helix	trans	-62.6	-45.1	179.4	-69.5	174.3	-164.8	178	1.9	111.9	E498 R499 V505 A506	E498-R502 VanDerWaalsContact CG-NH2 3.28Å; E498-R502 WeakPolarHBondContact O-CG 3.33Å; E498-R502 PolarHBondContact O-N 3.41Å; E498-R502 IonicContact OE1-CZ 3.85Å; E498-R502 IonicContact OE1-NE 2.98Å; E498-R502 PolarHBondContact OE1-NE 2.91Å; E498-R502 IonicContact OE1-NH2 3.15Å; E498-R502 PolarHBondContact OE1-NH2 3.26Å; R499-R502 PolarHBondContact O-N 3.38Å; R502-V505 PolarHBondContact O-N 3.24Å; R502-A506 WeakPolarHBondContact O-CB 3.4Å; R502-A506 PolarHBondContact O-N 2.86Å
503	S	97.6	Very high	97	Very high	81 Å²	81	93 Å²	93	57%	0.566	48%	0.475	S	S	*	.	H	α-helix	trans	-61.5	-43.3	175.4	169.6	0	0	0	0	112.1	R499 V505 A506 A507	R499-S503 WeakPolarHBondContact O-CB 3.49Å; R499-S503 PolarHBondContact O-N 3.47Å; S503-V505 PolarHBondContact O-N 2.85Å; S503-A506 PolarHBondContact O-N 3.19Å; S503-A507 WeakPolarHBondContact O-CB 3.44Å; S503-A507 PolarHBondContact O-N 3.27Å
504	K	97.5	Very high	97.1	Very high	153 Å²	153	94.7 Å²	94.7	67%	0.665	47%	0.473	S	S	*	.	H	α-helix	trans	-64.7	-37.1	175.9	-176.5	172.4	-65.8	-165.8	0	113	C500 R501 R508	C500-K504 WeakPolarHBondContact O-CB 3.34Å; C500-K504 PolarHBondContact O-N 2.95Å; R501-K504 PolarHBondContact O-N 3.36Å; K504-R508 WeakPolarHBondContact O-CB 2.98Å; K504-R508 PolarHBondContact O-N 3.39Å; K504-R508 VanDerWaalsContact O-N 3.13Å
505	V	97.9	Very high	97.2	Very high	66 Å²	66	95.5 Å²	95.5	40%	0.4	48%	0.482	S	S	.	.	H	α-helix	trans	-68.2	-48.1	174.6	168.5	0	0	0	0	110.5	R501 R502 S503 A507 R508 D509	R501-V505 WeakPolarHBondContact O-CG2 3.47Å; R501-V505 PolarHBondContact O-N 3.45Å; R502-V505 PolarHBondContact O-N 3.24Å; S503-V505 PolarHBondContact O-N 2.85Å; V505-A507 PolarHBondContact O-N 3.43Å; V505-R508 WeakPolarHBondContact O-CB 3.08Å; V505-R508 PolarHBondContact O-N 2.94Å; V505-R508 VanDerWaalsContact O-N 3.14Å; V505-D509 VanDerWaalsContact CG1-OD2 3.29Å; V505-D509 WeakPolarHBondContact CG1-OD2 3.2Å; V505-D509 PolarHBondContact O-N 3.4Å
506	A	97.7	Very high	97.3	Very high	57 Å²	57	94.2 Å²	94.2	47%	0.471	48%	0.484	S	S	.	.	H	α-helix	trans	-57.8	-45.4	177	0	0	0	0	0	112.5	R502 S503 R508 D509 E510	R502-A506 WeakPolarHBondContact O-CB 3.4Å; R502-A506 PolarHBondContact O-N 2.86Å; S503-A506 PolarHBondContact O-N 3.19Å; A506-R508 VanDerWaalsContact C-N 3.34Å; A506-R508 PolarHBondContact O-N 3.33Å; A506-D509 PolarHBondContact O-N 3.05Å; A506-E510 WeakPolarHBondContact O-CB 3.21Å; A506-E510 PolarHBondContact O-N 3.28Å
507	A	96.8	Very high	97.3	Very high	53 Å²	53	94.4 Å²	94.4	44%	0.438	48%	0.477	S	S	.	.	H	α-helix	trans	-65.8	-33.7	177.1	0	0	0	0	0	113.2	S503 V505 L511	S503-A507 WeakPolarHBondContact O-CB 3.44Å; S503-A507 PolarHBondContact O-N 3.27Å; V505-A507 PolarHBondContact O-N 3.43Å; A507-L511 VanDerWaalsContact O-CB 3.31Å; A507-L511 WeakPolarHBondContact O-CB 3.43Å; A507-L511 PolarHBondContact O-N 2.91Å; A507-L511 VanDerWaalsContact O-N 3.11Å
508	R	97.4	Very high	97.3	Very high	151 Å²	151	98.2 Å²	98.2	57%	0.57	49%	0.492	S	S	*	.	H	α-helix	trans	-65	-44.3	171.9	177.6	-157.3	68.7	178.7	-1.6	110.8	K504 V505 A506 L511 A512	K504-R508 WeakPolarHBondContact O-CB 2.98Å; K504-R508 PolarHBondContact O-N 3.39Å; K504-R508 VanDerWaalsContact O-N 3.13Å; V505-R508 WeakPolarHBondContact O-CB 3.08Å; V505-R508 PolarHBondContact O-N 2.94Å; V505-R508 VanDerWaalsContact O-N 3.14Å; A506-R508 VanDerWaalsContact C-N 3.34Å; A506-R508 PolarHBondContact O-N 3.33Å; R508-L511 PolarHBondContact O-N 3.28Å; R508-A512 WeakPolarHBondContact O-CB 3.38Å; R508-A512 PolarHBondContact O-N 3.17Å
509	D	97.5	Very high	97.3	Very high	60 Å²	60	103.2 Å²	103.2	32%	0.321	51%	0.51	S	S	.	.	H	α-helix	trans	-71.4	-43.9	-174.7	-63.4	-16.3	0	0	0	110.5	V505 A506 L511 A512 E513	V505-D509 VanDerWaalsContact CG1-OD2 3.29Å; V505-D509 WeakPolarHBondContact CG1-OD2 3.2Å; V505-D509 PolarHBondContact O-N 3.4Å; A506-D509 PolarHBondContact O-N 3.05Å; D509-L511 VanDerWaalsContact C-N 3.34Å; D509-L511 PolarHBondContact O-N 3.13Å; D509-A512 WeakPolarHBondContact O-CB 3.26Å; D509-A512 PolarHBondContact O-N 2.95Å; D509-A512 VanDerWaalsContact O-N 3.09Å; D509-E513 WeakPolarHBondContact O-CG 3.29Å; D509-E513 PolarHBondContact O-N 2.91Å
510	E	97.6	Very high	97.2	Very high	95 Å²	95	95.9 Å²	95.9	44%	0.444	48%	0.483	S	S	.	.	H	α-helix	trans	-56.6	-44.2	170.4	179.6	-179.3	-168.1	0	0	112.3	A506 A512 E513 R514	A506-E510 WeakPolarHBondContact O-CB 3.21Å; A506-E510 PolarHBondContact O-N 3.28Å; E510-A512 VanDerWaalsContact C-N 3.32Å; E510-A512 PolarHBondContact O-N 3.02Å; E510-E513 PolarHBondContact O-N 3.28Å; E510-R514 VanDerWaalsContact O-CG 3.29Å; E510-R514 WeakPolarHBondContact O-CG 3.39Å; E510-R514 PolarHBondContact O-N 3.49Å; E510-R514 IonicContact OE1-CZ 2.92Å; E510-R514 IonicContact OE1-NE 3.39Å; E510-R514 PolarHBondContact OE1-NE 3.49Å; E510-R514 IonicContact OE1-NH2 3.32Å; E510-R514 PolarHBondContact OE1-NH2 2.8Å
511	L	97.2	Very high	96.9	Very high	113 Å²	113	97.5 Å²	97.5	59%	0.592	48%	0.483	S	S	*	.	H	α-helix	trans	-66.3	-35.3	176.3	-179	60.5	0	0	0	112	A507 R508 D509 L515	A507-L511 VanDerWaalsContact O-CB 3.31Å; A507-L511 WeakPolarHBondContact O-CB 3.43Å; A507-L511 PolarHBondContact O-N 2.91Å; A507-L511 VanDerWaalsContact O-N 3.11Å; R508-L511 PolarHBondContact O-N 3.28Å; D509-L511 VanDerWaalsContact C-N 3.34Å; D509-L511 PolarHBondContact O-N 3.13Å; L511-L515 WeakPolarHBondContact O-CB 3.4Å; L511-L515 PolarHBondContact O-N 3.17Å
512	A	97.1	Very high	96.7	Very high	54 Å²	54	96.9 Å²	96.9	45%	0.446	48%	0.481	S	S	.	.	H	α-helix	trans	-68.2	-40.2	176.6	0	0	0	0	0	112	R508 D509 E510 L515 A516	R508-A512 WeakPolarHBondContact O-CB 3.38Å; R508-A512 PolarHBondContact O-N 3.17Å; D509-A512 WeakPolarHBondContact O-CB 3.26Å; D509-A512 PolarHBondContact O-N 2.95Å; D509-A512 VanDerWaalsContact O-N 3.09Å; E510-A512 VanDerWaalsContact C-N 3.32Å; E510-A512 PolarHBondContact O-N 3.02Å; A512-L515 PolarHBondContact O-N 3.23Å; A512-A516 PolarHBondContact O-N 3.47Å
513	E	97.7	Very high	96.5	Very high	134 Å²	134	93.5 Å²	93.5	63%	0.626	47%	0.472	S	S	*	.	H	α-helix	trans	-61.9	-53.9	173.1	-72.3	174.4	178.6	0	0	111	D509 E510 L515 A516 D517	D509-E513 WeakPolarHBondContact O-CG 3.29Å; D509-E513 PolarHBondContact O-N 2.91Å; E510-E513 PolarHBondContact O-N 3.28Å; E513-L515 PolarHBondContact O-N 3.15Å; E513-A516 WeakPolarHBondContact O-CA 3.39Å; E513-A516 WeakPolarHBondContact O-CB 3.45Å; E513-A516 PolarHBondContact O-N 2.71Å; E513-D517 PolarHBondContact O-N 3.44Å
514	R	97.6	Very high	96.2	Very high	147 Å²	147	91.5 Å²	91.5	56%	0.555	46%	0.461	S	S	*	.	H	α-helix	trans	-55	-38.5	176.2	-69.2	172.9	-177.6	-151.5	5.8	112.5	E510 D517 L518	E510-R514 VanDerWaalsContact O-CG 3.29Å; E510-R514 WeakPolarHBondContact O-CG 3.39Å; E510-R514 PolarHBondContact O-N 3.49Å; E510-R514 IonicContact OE1-CZ 2.92Å; E510-R514 IonicContact OE1-NE 3.39Å; E510-R514 PolarHBondContact OE1-NE 3.49Å; E510-R514 IonicContact OE1-NH2 3.32Å; E510-R514 PolarHBondContact OE1-NH2 2.8Å; R514-D517 PolarHBondContact O-N 2.84Å; R514-L518 WeakPolarHBondContact O-CB 3.28Å; R514-L518 VanDerWaalsContact O-CG 3.29Å; R514-L518 WeakPolarHBondContact O-CG 3.3Å; R514-L518 PolarHBondContact O-N 3.18Å
515	L	96.6	Very high	95.9	Very high	79 Å²	79	89.3 Å²	89.3	41%	0.414	46%	0.456	S	S	.	.	H	α-helix	trans	-73.5	-28.6	178.1	177.7	142.8	0	0	0	112.7	L511 A512 E513 R519	L511-L515 WeakPolarHBondContact O-CB 3.4Å; L511-L515 PolarHBondContact O-N 3.17Å; A512-L515 PolarHBondContact O-N 3.23Å; E513-L515 PolarHBondContact O-N 3.15Å; L515-R519 WeakPolarHBondContact O-CD 3.35Å; L515-R519 WeakPolarHBondContact O-CG 3.44Å; L515-R519 PolarHBondContact O-N 3.41Å
516	A	96.3	Very high	95.5	Very high	49 Å²	49	89.9 Å²	89.9	41%	0.405	46%	0.456	S	S	.	.	H	α-helix	trans	-69.1	-45.4	169.3	0	0	0	0	0	111.3	A512 E513 L518 R519 L520	A512-A516 PolarHBondContact O-N 3.47Å; E513-A516 WeakPolarHBondContact O-CA 3.39Å; E513-A516 WeakPolarHBondContact O-CB 3.45Å; E513-A516 PolarHBondContact O-N 2.71Å; A516-L518 PolarHBondContact O-N 2.86Å; A516-R519 WeakPolarHBondContact O-CB 3.3Å; A516-R519 PolarHBondContact O-N 3.42Å; A516-R519 VanDerWaalsContact O-N 3.17Å; A516-L520 PolarHBondContact O-N 3.49Å
517	D	96.6	Very high	95.2	Very high	60 Å²	60	92.3 Å²	92.3	32%	0.321	46%	0.457	S	S	.	.	H	α-helix	trans	-60.2	-46.9	176.1	-73.3	-23.4	0	0	0	111.9	Y405 E513 R514 R519 L520 Q521	Y405-D517 PolarHBondContact OH-OD1 3.5Å; E513-D517 PolarHBondContact O-N 3.44Å; R514-D517 PolarHBondContact O-N 2.84Å; D517-R519 VanDerWaalsContact C-N 3.27Å; D517-R519 PolarHBondContact O-N 3.04Å; D517-L520 PolarHBondContact O-N 2.76Å; D517-L520 VanDerWaalsContact O-N 3.14Å; D517-Q521 WeakPolarHBondContact O-CG 3.48Å; D517-Q521 PolarHBondContact O-N 2.97Å
518	L	95.8	Very high	94.8	Very high	112 Å²	112	97.2 Å²	97.2	59%	0.586	46%	0.464	S	S	*	.	H	α-helix	trans	-60.9	-35.2	176.3	-74.3	170.7	0	0	0	112.3	R514 A516 R522	R514-L518 WeakPolarHBondContact O-CB 3.28Å; R514-L518 VanDerWaalsContact O-CG 3.29Å; R514-L518 WeakPolarHBondContact O-CG 3.3Å; R514-L518 PolarHBondContact O-N 3.18Å; A516-L518 PolarHBondContact O-N 2.86Å; L518-R522 VanDerWaalsContact O-CB 3.28Å; L518-R522 WeakPolarHBondContact O-CB 3.26Å; L518-R522 PolarHBondContact O-N 2.94Å
519	R	95.8	Very high	94.3	Very high	146 Å²	146	93.6 Å²	93.6	55%	0.551	46%	0.455	S	S	*	.	H	α-helix	trans	-67.2	-42.1	174	-77	167.8	172.9	-179.6	-2.8	111.7	L515 A516 D517 R522 Q523	L515-R519 WeakPolarHBondContact O-CD 3.35Å; L515-R519 WeakPolarHBondContact O-CG 3.44Å; L515-R519 PolarHBondContact O-N 3.41Å; A516-R519 WeakPolarHBondContact O-CB 3.3Å; A516-R519 PolarHBondContact O-N 3.42Å; A516-R519 VanDerWaalsContact O-N 3.17Å; D517-R519 VanDerWaalsContact C-N 3.27Å; D517-R519 PolarHBondContact O-N 3.04Å; R519-R522 PolarHBondContact O-N 3.23Å; R519-Q523 WeakPolarHBondContact O-CG 3.49Å; R519-Q523 PolarHBondContact O-N 3.15Å
520	L	96	Very high	93.9	Very high	23 Å²	23	95.3 Å²	95.3	12%	0.12	47%	0.467	C	S	.	.	H	α-helix	trans	-65	-45.8	176.4	177.6	58.9	0	0	0	111.4	L404 Y405 A516 D517 R522 Q523 A524	L404-L520 HydrophobicContact CB-CD1 4.01Å; Y405-L520 HydrophobicContact CD1-CD2 4.21Å; Y405-L520 HydrophobicContact CD2-CD2 4.18Å; Y405-L520 HydrophobicContact CE1-CD2 3.86Å; Y405-L520 HydrophobicContact CE2-CD2 3.83Å; Y405-L520 HydrophobicContact CG-CD2 4.36Å; A516-L520 PolarHBondContact O-N 3.49Å; D517-L520 PolarHBondContact O-N 2.76Å; D517-L520 VanDerWaalsContact O-N 3.14Å; L520-R522 PolarHBondContact O-N 2.9Å; L520-Q523 WeakPolarHBondContact O-CB 3.39Å; L520-Q523 PolarHBondContact O-N 3.09Å; L520-A524 PolarHBondContact O-N 3.39Å
521	Q	93	Very high	93.5	Very high	110 Å²	110	95.6 Å²	95.6	51%	0.514	47%	0.467	S	S	.	.	H	α-helix	trans	-58.5	-45.2	174.2	-70	176.4	33.3	0	0	111.5	D517 Q523 A524 L525	D517-Q521 WeakPolarHBondContact O-CG 3.48Å; D517-Q521 PolarHBondContact O-N 2.97Å; Q521-Q523 PolarHBondContact O-N 3.25Å; Q521-A524 PolarHBondContact O-N 3.17Å; Q521-L525 WeakPolarHBondContact O-CB 3.4Å; Q521-L525 WeakPolarHBondContact O-CG 3.46Å; Q521-L525 PolarHBondContact O-N 2.96Å
522	R	94.5	Very high	92.7	Very high	133 Å²	133	92.5 Å²	92.5	50%	0.502	46%	0.458	S	S	.	.	H	α-helix	trans	-60.3	-41.6	175.2	-172.5	-177.6	70	165.4	4.7	112.3	L518 R519 L520 N526	L518-R522 VanDerWaalsContact O-CB 3.28Å; L518-R522 WeakPolarHBondContact O-CB 3.26Å; L518-R522 PolarHBondContact O-N 2.94Å; R519-R522 PolarHBondContact O-N 3.23Å; L520-R522 PolarHBondContact O-N 2.9Å; R522-N526 WeakPolarHBondContact O-CB 3.32Å; R522-N526 PolarHBondContact O-N 3.48Å
523	Q	93.2	Very high	92.1	Very high	87 Å²	87	96.1 Å²	96.1	41%	0.407	46%	0.46	S	S	.	.	H	α-helix	trans	-63.9	-42.4	174.8	-74.5	175.4	-8	0	0	112	R519 L520 Q521 N526 K527	R519-Q523 WeakPolarHBondContact O-CG 3.49Å; R519-Q523 PolarHBondContact O-N 3.15Å; L520-Q523 WeakPolarHBondContact O-CB 3.39Å; L520-Q523 PolarHBondContact O-N 3.09Å; Q521-Q523 PolarHBondContact O-N 3.25Å; Q523-N526 PolarHBondContact O-N 3.33Å; Q523-K527 WeakPolarHBondContact O-CG 3.38Å; Q523-K527 PolarHBondContact O-N 2.81Å
524	A	91.3	Very high	91.7	Very high	40 Å²	40	93.5 Å²	93.5	33%	0.331	45%	0.448	S	S	.	.	H	α-helix	trans	-64.6	-43.1	176.6	0	0	0	0	0	112.2	L520 Q521 K527 R528	L520-A524 PolarHBondContact O-N 3.39Å; Q521-A524 PolarHBondContact O-N 3.17Å; A524-K527 PolarHBondContact O-N 3.03Å; A524-R528 WeakPolarHBondContact O-CG 3.44Å; A524-R528 PolarHBondContact O-N 2.98Å
525	L	90.1	Very high	91.1	Very high	107 Å²	107	93.5 Å²	93.5	56%	0.56	45%	0.448	S	S	*	.	H	α-helix	trans	-63.3	-42.9	174.7	-72.1	172.5	0	0	0	111.9	Q521 K527 R528 L529	Q521-L525 WeakPolarHBondContact O-CB 3.4Å; Q521-L525 WeakPolarHBondContact O-CG 3.46Å; Q521-L525 PolarHBondContact O-N 2.96Å; L525-K527 PolarHBondContact O-N 2.65Å; L525-R528 WeakPolarHBondContact O-CB 3.35Å; L525-R528 PolarHBondContact O-N 3.46Å; L525-R528 VanDerWaalsContact O-N 3.15Å; L525-L529 WeakPolarHBondContact O-CB 3.45Å; L525-L529 PolarHBondContact O-N 2.92Å
526	N	89.9	Confident	90.3	Very high	77 Å²	77	92.1 Å²	92.1	41%	0.412	44%	0.438	S	S	.	.	H	α-helix	trans	-61.3	-42.7	174.4	-78.2	-15.6	0	0	0	112	R522 Q523 R528 L529 V530	R522-N526 WeakPolarHBondContact O-CB 3.32Å; R522-N526 PolarHBondContact O-N 3.48Å; Q523-N526 PolarHBondContact O-N 3.33Å; N526-R528 VanDerWaalsContact C-N 3.32Å; N526-R528 PolarHBondContact O-N 3.07Å; N526-L529 PolarHBondContact O-N 2.95Å; N526-V530 WeakPolarHBondContact O-CG2 3.46Å; N526-V530 PolarHBondContact O-N 3.28Å
527	K	91.5	Very high	90	Very high	109 Å²	109	95.7 Å²	95.7	47%	0.474	44%	0.441	S	S	.	.	H	α-helix	trans	-59.4	-41.6	173	-73.8	174.3	179.3	179.1	0	111.7	Q523 A524 L525 K531	Q523-K527 WeakPolarHBondContact O-CG 3.38Å; Q523-K527 PolarHBondContact O-N 2.81Å; A524-K527 PolarHBondContact O-N 3.03Å; L525-K527 PolarHBondContact O-N 2.65Å; K527-K531 WeakPolarHBondContact O-CG 3.39Å; K527-K531 PolarHBondContact O-N 3.4Å
528	R	87.8	Confident	89.7	Confident	156 Å²	156	95.9 Å²	95.9	59%	0.589	44%	0.442	S	S	*	.	H	α-helix	trans	-65	-43.2	175.2	-72.2	174.3	67.2	154.8	1.4	112.1	A524 L525 N526 K531 A532	A524-R528 WeakPolarHBondContact O-CG 3.44Å; A524-R528 PolarHBondContact O-N 2.98Å; L525-R528 WeakPolarHBondContact O-CB 3.35Å; L525-R528 PolarHBondContact O-N 3.46Å; L525-R528 VanDerWaalsContact O-N 3.15Å; N526-R528 VanDerWaalsContact C-N 3.32Å; N526-R528 PolarHBondContact O-N 3.07Å; R528-K531 PolarHBondContact O-N 2.89Å; R528-A532 WeakPolarHBondContact O-CB 3.39Å; R528-A532 PolarHBondContact O-N 3.39Å
529	L	87.8	Confident	89	Confident	75 Å²	75	92.6 Å²	92.6	39%	0.393	43%	0.431	S	S	.	.	H	α-helix	trans	-62.7	-43	178.1	-177.7	64.6	0	0	0	111.9	L525 N526 A532 R533	L525-L529 WeakPolarHBondContact O-CB 3.45Å; L525-L529 PolarHBondContact O-N 2.92Å; N526-L529 PolarHBondContact O-N 2.95Å; L529-A532 PolarHBondContact O-N 3.48Å; L529-R533 WeakPolarHBondContact O-CB 3.21Å; L529-R533 WeakPolarHBondContact O-CG 3.19Å; L529-R533 PolarHBondContact O-N 3.28Å
530	V	88.7	Confident	88.4	Confident	95 Å²	95	91.5 Å²	91.5	58%	0.576	43%	0.427	S	S	*	.	H	α-helix	trans	-64.1	-46.2	174.7	173	0	0	0	0	111.1	N526 A532 R533 Q534	N526-V530 WeakPolarHBondContact O-CG2 3.46Å; N526-V530 PolarHBondContact O-N 3.28Å; V530-A532 VanDerWaalsContact C-N 3.31Å; V530-A532 PolarHBondContact O-N 2.87Å; V530-R533 PolarHBondContact O-N 3.46Å; V530-Q534 PolarHBondContact O-N 3.14Å
531	K	88.6	Confident	88	Confident	102 Å²	102	93.9 Å²	93.9	44%	0.443	44%	0.44	S	S	.	.	H	α-helix	trans	-59.7	-39.2	174.9	-73.9	179.1	-179.4	-178.8	0	111.9	K527 R528 Q534 R535	K527-K531 WeakPolarHBondContact O-CG 3.39Å; K527-K531 PolarHBondContact O-N 3.4Å; R528-K531 PolarHBondContact O-N 2.89Å; K531-Q534 PolarHBondContact O-N 3.01Å; K531-R535 WeakPolarHBondContact O-CG 3.36Å; K531-R535 PolarHBondContact O-N 3.4Å; K531-R535 VanDerWaalsContact O-N 3.15Å
532	A	80.8	Confident	87.8	Confident	47 Å²	47	92 Å²	92	39%	0.388	43%	0.434	S	S	.	.	H	α-helix	trans	-67	-49.3	176.9	0	0	0	0	0	112.2	R528 L529 V530 Q534 R535 K536	R528-A532 WeakPolarHBondContact O-CB 3.39Å; R528-A532 PolarHBondContact O-N 3.39Å; L529-A532 PolarHBondContact O-N 3.48Å; V530-A532 VanDerWaalsContact C-N 3.31Å; V530-A532 PolarHBondContact O-N 2.87Å; A532-Q534 PolarHBondContact O-N 3.2Å; A532-R535 PolarHBondContact O-N 2.99Å; A532-K536 PolarHBondContact O-N 2.85Å
533	R	84.5	Confident	87.3	Confident	131 Å²	131	85.7 Å²	85.7	49%	0.494	41%	0.41	S	S	.	.	H	α-helix	trans	-59.1	-32.7	174.8	-74.7	176.4	173	173.7	-3.3	112.8	L529 V530 R537	L529-R533 WeakPolarHBondContact O-CB 3.21Å; L529-R533 WeakPolarHBondContact O-CG 3.19Å; L529-R533 PolarHBondContact O-N 3.28Å; V530-R533 PolarHBondContact O-N 3.46Å; R533-R537 WeakPolarHBondContact O-CG 3.38Å; R533-R537 PolarHBondContact O-N 2.87Å
534	Q	89.3	Confident	87	Confident	78 Å²	78	84.2 Å²	84.2	36%	0.364	41%	0.407	S	S	.	.	H	α-helix	trans	-65.3	-56.8	172.4	-172.1	58.6	40.7	0	0	110.9	V530 K531 A532 K536 R537 D538	V530-Q534 PolarHBondContact O-N 3.14Å; K531-Q534 PolarHBondContact O-N 3.01Å; A532-Q534 PolarHBondContact O-N 3.2Å; Q534-K536 PolarHBondContact O-N 3.36Å; Q534-R537 WeakPolarHBondContact O-CA 3.5Å; Q534-R537 WeakPolarHBondContact O-CB 3.43Å; Q534-R537 PolarHBondContact O-N 2.76Å; Q534-D538 PolarHBondContact NE2-OD1 2.72Å; Q534-D538 PolarHBondContact O-N 3.48Å
535	R	84.3	Confident	86.9	Confident	147 Å²	147	88.4 Å²	88.4	56%	0.555	42%	0.42	S	S	*	.	H	α-helix	trans	-54.9	-38	179.4	-68.3	171.8	-172.1	147.3	-4.6	113.1	K531 A532 D538 A539	K531-R535 WeakPolarHBondContact O-CG 3.36Å; K531-R535 PolarHBondContact O-N 3.4Å; K531-R535 VanDerWaalsContact O-N 3.15Å; A532-R535 PolarHBondContact O-N 2.99Å; R535-D538 PolarHBondContact O-N 2.89Å; R535-A539 WeakPolarHBondContact O-CB 3.48Å; R535-A539 PolarHBondContact O-N 2.87Å
536	K	81.5	Confident	86.6	Confident	50 Å²	50	85.3 Å²	85.3	22%	0.217	40%	0.402	C	S	.	.	H	α-helix	trans	-62.6	-44.4	174.8	179.4	179.4	-176.4	-175.1	0	112.2	D338 D342 A532 Q534 A539 R540	D338-K536 IonicContact OD1-NZ 2.77Å; D338-K536 PolarHBondContact OD1-NZ 2.87Å; D338-K536 IonicContact OD2-NZ 3.75Å; D338-K536 PolarHBondContact OD2-NZ 3.49Å; D342-K536 WeakPolarHBondContact OD1-CD 3.41Å; D342-K536 WeakPolarHBondContact OD1-CE 3.43Å; D342-K536 VanDerWaalsContact OD1-CG 3.26Å; D342-K536 WeakPolarHBondContact OD1-CG 3.19Å; D342-K536 IonicContact OD1-NZ 3.9Å; A532-K536 PolarHBondContact O-N 2.85Å; Q534-K536 PolarHBondContact O-N 3.36Å; K536-A539 PolarHBondContact O-N 2.82Å; K536-R540 WeakPolarHBondContact O-CB 3.47Å; K536-R540 PolarHBondContact O-N 3.41Å
537	R	89.3	Confident	86.3	Confident	125 Å²	125	83.2 Å²	83.2	47%	0.472	39%	0.39	S	S	.	.	H	α-helix	trans	-63.4	-46.4	174.6	-72	-175.1	-64.9	-174.3	1.9	110.8	R533 Q534 A539 R540 D541	R533-R537 WeakPolarHBondContact O-CG 3.38Å; R533-R537 PolarHBondContact O-N 2.87Å; Q534-R537 WeakPolarHBondContact O-CA 3.5Å; Q534-R537 WeakPolarHBondContact O-CB 3.43Å; Q534-R537 PolarHBondContact O-N 2.76Å; R537-A539 VanDerWaalsContact C-N 3.33Å; R537-A539 PolarHBondContact O-N 2.85Å; R537-R540 WeakPolarHBondContact O-CB 3.47Å; R537-R540 PolarHBondContact O-N 2.83Å; R537-D541 WeakPolarHBondContact O-CB 3.29Å; R537-D541 PolarHBondContact O-N 3.06Å
538	D	89.2	Confident	86.1	Confident	64 Å²	64	80.6 Å²	80.6	34%	0.342	38%	0.381	S	S	.	.	H	α-helix	trans	-58.2	-45.4	177.6	-52.2	-31.4	0	0	0	111	Q534 R535 D541 N542	Q534-D538 PolarHBondContact NE2-OD1 2.72Å; Q534-D538 PolarHBondContact O-N 3.48Å; R535-D538 PolarHBondContact O-N 2.89Å; D538-D541 PolarHBondContact O-N 2.75Å; D538-N542 VanDerWaalsContact O-CB 3.29Å; D538-N542 WeakPolarHBondContact O-CB 3.45Å; D538-N542 PolarHBondContact O-N 3.45Å; D538-N542 PolarHBondContact O-ND2 3.13Å; D538-N542 PolarHBondContact O-OD1 3.35Å
539	A	81.9	Confident	86	Confident	43 Å²	43	76.6 Å²	76.6	36%	0.355	37%	0.366	S	S	.	.	H	α-helix	trans	-63.9	-40.5	176.6	0	0	0	0	0	113	R535 K536 R537 L543	R535-A539 WeakPolarHBondContact O-CB 3.48Å; R535-A539 PolarHBondContact O-N 2.87Å; K536-A539 PolarHBondContact O-N 2.82Å; R537-A539 VanDerWaalsContact C-N 3.33Å; R537-A539 PolarHBondContact O-N 2.85Å; A539-L543 PolarHBondContact O-N 3.05Å
540	R	84.3	Confident	85.9	Confident	122 Å²	122	74.4 Å²	74.4	46%	0.46	35%	0.354	S	S	.	.	H	α-helix	trans	-61.5	-46.1	174.2	-174.5	-157.8	64.9	-175.9	-3.7	112	Y345 K536 R537 L543 T544	Y345-R540 VanDerWaalsContact CE1-CA 3.49Å; Y345-R540 HydrophobicContact CE1-CB 4.26Å; Y345-R540 WeakPolarHBondContact OH-CA 3.42Å; Y345-R540 WeakPolarHBondContact OH-CG 3.17Å; Y345-R540 PolarHBondContact OH-O 3.22Å; K536-R540 WeakPolarHBondContact O-CB 3.47Å; K536-R540 PolarHBondContact O-N 3.41Å; R537-R540 WeakPolarHBondContact O-CB 3.47Å; R537-R540 PolarHBondContact O-N 2.83Å; R540-L543 PolarHBondContact O-N 3.11Å; R540-T544 WeakPolarHBondContact O-CB 3.45Å; R540-T544 PolarHBondContact O-N 2.92Å; R540-T544 PolarHBondContact O-OG1 2.97Å
541	D	87.5	Confident	85.8	Confident	73 Å²	73	70 Å²	70	39%	0.39	33%	0.328	S	S	.	.	H	α-helix	trans	-71.3	-40	-175.6	-63.1	-11.5	0	0	0	109.8	R537 D538 L543 T544 E545	R537-D541 WeakPolarHBondContact O-CB 3.29Å; R537-D541 PolarHBondContact O-N 3.06Å; D538-D541 PolarHBondContact O-N 2.75Å; D541-L543 PolarHBondContact O-N 3.44Å; D541-T544 WeakPolarHBondContact O-CB 3.28Å; D541-T544 PolarHBondContact O-N 3.27Å; D541-E545 PolarHBondContact O-N 2.96Å
542	N	87.4	Confident	85.5	Confident	71 Å²	71	70 Å²	70	38%	0.38	33%	0.329	S	S	.	.	H	α-helix	trans	-60.4	-42	171.5	-68.6	-13.9	0	0	0	113.2	Y349 D538 T544 E545 E546	Y349-N542 HydrophobicContact CE2-CB 4.1Å; D538-N542 VanDerWaalsContact O-CB 3.29Å; D538-N542 WeakPolarHBondContact O-CB 3.45Å; D538-N542 PolarHBondContact O-N 3.45Å; D538-N542 PolarHBondContact O-ND2 3.13Å; D538-N542 PolarHBondContact O-OD1 3.35Å; N542-T544 VanDerWaalsContact C-N 3.34Å; N542-E545 PolarHBondContact O-N 3.34Å; N542-E546 PolarHBondContact O-N 3.26Å
543	L	84.9	Confident	85.6	Confident	1 Å²	1	69 Å²	69	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-66.3	-40.5	175.2	-174.9	71.3	0	0	0	110.9	Y345 H348 Y349 L352 A539 R540 D541 E545 E546 Q547	Y345-L543 HydrophobicContact CD1-CB 4.48Å; Y345-L543 HydrophobicContact CD1-CD2 4.01Å; Y345-L543 HydrophobicContact CD2-CD2 4.48Å; Y345-L543 HydrophobicContact CE1-CB 3.47Å; Y345-L543 VanDerWaalsContact CE1-CB 3.47Å; Y345-L543 HydrophobicContact CE1-CD2 3.34Å; Y345-L543 HydrophobicContact CE1-CG 4.01Å; Y345-L543 HydrophobicContact CE2-CD2 3.9Å; Y345-L543 WeakPolarHBondContact OH-CD2 3.48Å; H348-L543 WeakPolarHBondContact ND1-CD2 3.41Å; Y349-L543 HydrophobicContact CD2-CB 4.12Å; Y349-L543 HydrophobicContact CD2-CD1 3.9Å; L352-L543 HydrophobicContact CD2-CD1 3.79Å; A539-L543 PolarHBondContact O-N 3.05Å; R540-L543 PolarHBondContact O-N 3.11Å; D541-L543 PolarHBondContact O-N 3.44Å; L543-E545 VanDerWaalsContact C-N 3.3Å; L543-E545 PolarHBondContact O-N 3.15Å; L543-E546 PolarHBondContact O-N 3.2Å; L543-Q547 HydrophobicContact CG-CG 4.31Å; L543-Q547 WeakPolarHBondContact O-CB 3.47Å; L543-Q547 VanDerWaalsContact O-CG 3.28Å; L543-Q547 WeakPolarHBondContact O-CG 3.35Å; L543-Q547 PolarHBondContact O-N 2.66Å
544	T	85.7	Confident	85.6	Confident	55 Å²	55	64.7 Å²	64.7	34%	0.337	30%	0.303	S	S	.	.	H	α-helix	trans	-62.5	-40.3	177.9	-53.1	0	0	0	0	110.7	R540 D541 N542 N548	R540-T544 WeakPolarHBondContact O-CB 3.45Å; R540-T544 PolarHBondContact O-N 2.92Å; R540-T544 PolarHBondContact O-OG1 2.97Å; D541-T544 WeakPolarHBondContact O-CB 3.28Å; D541-T544 PolarHBondContact O-N 3.27Å; N542-T544 VanDerWaalsContact C-N 3.34Å; T544-N548 WeakPolarHBondContact O-CB 3.4Å; T544-N548 PolarHBondContact O-N 3.45Å; T544-N548 PolarHBondContact O-ND2 2.82Å; T544-N548 PolarHBondContact O-OD1 2.96Å
545	E	89	Confident	85.3	Confident	129 Å²	129	64.3 Å²	64.3	60%	0.603	30%	0.302	S	S	*	.	H	α-helix	trans	-61.6	-48.6	173.3	-174.2	174.4	-174.9	0	0	111.7	D541 N542 L543 Q547 N548 R549	D541-E545 PolarHBondContact O-N 2.96Å; N542-E545 PolarHBondContact O-N 3.34Å; L543-E545 VanDerWaalsContact C-N 3.3Å; L543-E545 PolarHBondContact O-N 3.15Å; E545-Q547 PolarHBondContact O-N 3.04Å; E545-N548 PolarHBondContact O-N 3.16Å; E545-R549 VanDerWaalsContact O-CB 3.31Å; E545-R549 WeakPolarHBondContact O-CB 3.21Å; E545-R549 PolarHBondContact O-N 3.5Å
546	E	84.7	Confident	85.1	Confident	41 Å²	41	59.2 Å²	59.2	19%	0.192	29%	0.285	C	S	.	.	H	α-helix	trans	-63.6	-39.8	177.6	-76.5	-61.6	138.6	0	0	112.9	Y349 L352 N542 L543 R549 L550	Y349-E546 HydrophobicContact CE2-CG 4.42Å; L352-E546 HydrophobicContact CD2-CB 4.05Å; N542-E546 PolarHBondContact O-N 3.26Å; L543-E546 PolarHBondContact O-N 3.2Å; E546-R549 PolarHBondContact O-N 2.98Å; E546-R549 IonicContact OE1-CZ 2.63Å; E546-R549 IonicContact OE1-NE 2.69Å; E546-R549 PolarHBondContact OE1-NE 2.98Å; E546-R549 VanDerWaalsContact OE1-NE 3.14Å; E546-R549 IonicContact OE1-NH2 3.17Å; E546-R549 IonicContact OE2-CZ 3.14Å; E546-R549 IonicContact OE2-NE 3.66Å; E546-R549 PolarHBondContact OE2-NE 3.32Å; E546-R549 IonicContact OE2-NH2 2.73Å; E546-R549 PolarHBondContact OE2-NH2 2.92Å; E546-L550 WeakPolarHBondContact O-CG 3.4Å; E546-L550 PolarHBondContact O-N 3.47Å
547	Q	84.2	Confident	85	Confident	33 Å²	33	60 Å²	60	15%	0.154	30%	0.297	C	S	.	.	H	α-helix	trans	-61.1	-45.6	173.4	-72.9	177	1.1	0	0	111.5	L543 E545 R549 L550 L551 I569	L543-Q547 HydrophobicContact CG-CG 4.31Å; L543-Q547 WeakPolarHBondContact O-CB 3.47Å; L543-Q547 VanDerWaalsContact O-CG 3.28Å; L543-Q547 WeakPolarHBondContact O-CG 3.35Å; L543-Q547 PolarHBondContact O-N 2.66Å; E545-Q547 PolarHBondContact O-N 3.04Å; Q547-R549 VanDerWaalsContact C-N 3.34Å; Q547-R549 PolarHBondContact O-N 2.82Å; Q547-L550 PolarHBondContact O-N 3.48Å; Q547-L551 WeakPolarHBondContact O-CG 3.29Å; Q547-L551 PolarHBondContact O-N 3.22Å; Q547-I569 HydrophobicContact CB-CB 4.47Å; Q547-I569 HydrophobicContact CG-CB 4.19Å
548	N	87.1	Confident	84.4	Confident	55 Å²	55	60.3 Å²	60.3	29%	0.294	31%	0.308	S	S	.	.	H	α-helix	trans	-64.8	-39.7	176.9	-67.5	-17.4	0	0	0	111.7	T544 E545 L550 L551 H552 P564	T544-N548 WeakPolarHBondContact O-CB 3.4Å; T544-N548 PolarHBondContact O-N 3.45Å; T544-N548 PolarHBondContact O-ND2 2.82Å; T544-N548 PolarHBondContact O-OD1 2.96Å; E545-N548 PolarHBondContact O-N 3.16Å; N548-L550 VanDerWaalsContact C-N 3.35Å; N548-L550 PolarHBondContact O-N 3.07Å; N548-L551 PolarHBondContact O-N 3.14Å; N548-H552 PolarHBondContact O-CD2 3.06Å; N548-H552 PolarHBondContact O-N 3.42Å; N548-P564 HydrophobicContact CB-CG 3.92Å; N548-P564 VanDerWaalsContact OD1-CB 3.3Å; N548-P564 WeakPolarHBondContact OD1-CB 3.39Å; N548-P564 WeakPolarHBondContact OD1-CG 3.25Å
549	R	86.3	Confident	83.9	Confident	71 Å²	71	59.7 Å²	59.7	27%	0.268	32%	0.317	S	S	.	.	H	α-helix	trans	-61.9	-41.6	176.3	-165.8	-179.1	70.4	69.5	2.2	111.5	E545 E546 Q547 M553	E545-R549 VanDerWaalsContact O-CB 3.31Å; E545-R549 WeakPolarHBondContact O-CB 3.21Å; E545-R549 PolarHBondContact O-N 3.5Å; E546-R549 PolarHBondContact O-N 2.98Å; E546-R549 IonicContact OE1-CZ 2.63Å; E546-R549 IonicContact OE1-NE 2.69Å; E546-R549 PolarHBondContact OE1-NE 2.98Å; E546-R549 VanDerWaalsContact OE1-NE 3.14Å; E546-R549 IonicContact OE1-NH2 3.17Å; E546-R549 IonicContact OE2-CZ 3.14Å; E546-R549 IonicContact OE2-NE 3.66Å; E546-R549 PolarHBondContact OE2-NE 3.32Å; E546-R549 IonicContact OE2-NH2 2.73Å; E546-R549 PolarHBondContact OE2-NH2 2.92Å; Q547-R549 VanDerWaalsContact C-N 3.34Å; Q547-R549 PolarHBondContact O-N 2.82Å; R549-M553 WeakPolarHBondContact O-CG 3.31Å; R549-M553 PolarHBondContact O-N 3.08Å
550	L	84.9	Confident	83.8	Confident	29 Å²	29	61.3 Å²	61.3	15%	0.152	32%	0.324	C	S	.	.	H	α-helix	trans	-67.1	-44.2	174.4	-72.7	173.2	0	0	0	112.2	L352 E546 Q547 N548 H552 M553 L554 I569	L352-L550 HydrophobicContact CD1-CD1 3.87Å; L352-L550 HydrophobicContact CD2-CD1 4.03Å; L352-L550 HydrophobicContact CG-CD1 4.12Å; E546-L550 WeakPolarHBondContact O-CG 3.4Å; E546-L550 PolarHBondContact O-N 3.47Å; Q547-L550 PolarHBondContact O-N 3.48Å; N548-L550 VanDerWaalsContact C-N 3.35Å; N548-L550 PolarHBondContact O-N 3.07Å; L550-H552 VanDerWaalsContact C-N 3.32Å; L550-H552 PolarHBondContact O-N 2.77Å; L550-M553 WeakPolarHBondContact O-CB 3.42Å; L550-M553 PolarHBondContact O-N 3.04Å; L550-L554 PolarHBondContact O-N 3.01Å; L550-I569 HydrophobicContact CB-CD1 3.43Å; L550-I569 VanDerWaalsContact CB-CD1 3.43Å; L550-I569 HydrophobicContact CD1-CD1 4.03Å; L550-I569 HydrophobicContact CG-CD1 4.4Å
551	L	86	Confident	83.8	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-58.7	-43	175.5	-72.4	173.1	0	0	0	111.9	Q547 N548 M553 L554 L562 P564 W567 I569 V579	Q547-L551 WeakPolarHBondContact O-CG 3.29Å; Q547-L551 PolarHBondContact O-N 3.22Å; N548-L551 PolarHBondContact O-N 3.14Å; L551-M553 PolarHBondContact O-N 3.28Å; L551-L554 PolarHBondContact O-N 3.35Å; L551-L554 VanDerWaalsContact O-O 3.14Å; L551-L562 CarbonylContact C-O 3.26Å; L551-L562 HydrophobicContact CB-CB 4.37Å; L551-L562 HydrophobicContact CD2-CB 4.19Å; L551-L562 HydrophobicContact CD2-CD1 4.23Å; L551-P564 HydrophobicContact CD1-CB 4.38Å; L551-P564 HydrophobicContact CD1-CG 4.3Å; L551-W567 HydrophobicContact CD1-CB 4.39Å; L551-W567 WeakPolarHBondContact CD1-O 3.23Å; L551-W567 HydrophobicContact CD2-CB 3.81Å; L551-I569 HydrophobicContact CD2-CD1 4.17Å; L551-I569 HydrophobicContact CD2-CG1 3.82Å; L551-I569 HydrophobicContact CG-CD1 3.99Å; L551-I569 HydrophobicContact CG-CG1 3.96Å; L551-V579 HydrophobicContact CD2-CG1 3.95Å
552	H	83.5	Confident	83.6	Confident	102 Å²	102	55.2 Å²	55.2	47%	0.472	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-14.8	175.1	-72.4	-44.5	0	0	0	114.7	N548 L550 T561	N548-H552 PolarHBondContact O-CD2 3.06Å; N548-H552 PolarHBondContact O-N 3.42Å; L550-H552 VanDerWaalsContact C-N 3.32Å; L550-H552 PolarHBondContact O-N 2.77Å; H552-T561 WeakPolarHBondContact O-CG2 3.08Å
553	M	82.4	Confident	83.5	Confident	26 Å²	26	57.7 Å²	57.7	13%	0.128	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-18.4	171.5	-70.2	179	58.5	0	0	113.1	K379 L380 R549 L550 L551 H555	K379-M553 HydrophobicContact CB-CE 4Å; L380-M553 HydrophobicContact CD2-CE 3.73Å; L380-M553 HydrophobicContact CG-CE 3.98Å; R549-M553 WeakPolarHBondContact O-CG 3.31Å; R549-M553 PolarHBondContact O-N 3.08Å; L550-M553 WeakPolarHBondContact O-CB 3.42Å; L550-M553 PolarHBondContact O-N 3.04Å; L551-M553 PolarHBondContact O-N 3.28Å; M553-H555 PolarHBondContact O-CE1 3.33Å; M553-H555 PolarHBondContact O-ND1 3.2Å; M553-H555 VanDerWaalsContact O-ND1 3.08Å
554	L	84.1	Confident	83.4	Confident	42 Å²	42	59.5 Å²	59.5	22%	0.22	32%	0.323	C	S	.	.			trans	-91	143.7	178.2	-63.4	172.5	0	0	0	110.6	L375 L550 L551 T561 L562 V579	L375-L554 HydrophobicContact CD1-CD2 4.11Å; L550-L554 PolarHBondContact O-N 3.01Å; L551-L554 PolarHBondContact O-N 3.35Å; L551-L554 VanDerWaalsContact O-O 3.14Å; L554-T561 CarbonylContact O-C 3.51Å; L554-T561 VanDerWaalsContact O-CA 3.32Å; L554-T561 WeakPolarHBondContact O-CA 3.3Å; L554-L562 HydrophobicContact CB-CB 4.5Å; L554-L562 HydrophobicContact CB-CD1 3.64Å; L554-L562 HydrophobicContact CB-CG 3.87Å; L554-L562 HydrophobicContact CD1-CD1 4.12Å; L554-L562 PolarHBondContact O-N 2.8Å; L554-V579 HydrophobicContact CD1-CG2 3.79Å
555	H	83	Confident	83.4	Confident	70 Å²	70	60.9 Å²	60.9	32%	0.324	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-131.1	124.3	-173.8	-62.4	67.3	0	0	0	109.9	W373 M553 C560 T561	W373-H555 VanDerWaalsContact CZ3-C 3.49Å; W373-H555 WeakPolarHBondContact CZ3-O 3.46Å; M553-H555 PolarHBondContact O-CE1 3.33Å; M553-H555 PolarHBondContact O-ND1 3.2Å; M553-H555 VanDerWaalsContact O-ND1 3.08Å; H555-C560 CarbonylContact C-O 3.5Å; H555-C560 WeakPolarHBondContact CA-O 3.32Å; H555-T561 WeakPolarHBondContact NE2-CG2 3.32Å
556	D	80	Confident	83.1	Confident	40 Å²	40	57.7 Å²	57.7	21%	0.214	32%	0.322	C	S	.	.			trans	-60.1	175.6	-178.2	81.1	-7.6	0	0	0	113.7	W373 N558 G559 C560 L562	W373-D556 HydrophobicContact CH2-CB 4.37Å; D556-N558 PolarHBondContact O-N 3.4Å; D556-N558 VanDerWaalsContact OD1-C 3.26Å; D556-N558 VanDerWaalsContact OD1-CA 3.23Å; D556-N558 WeakPolarHBondContact OD1-CA 3.4Å; D556-N558 VanDerWaalsContact OD1-CB 3.25Å; D556-N558 WeakPolarHBondContact OD1-CB 3.45Å; D556-N558 PolarHBondContact OD1-N 3.5Å; D556-N558 PolarHBondContact OD2-ND2 2.92Å; D556-G559 PolarHBondContact O-N 2.97Å; D556-G559 PolarHBondContact OD1-N 3.19Å; D556-C560 PolarHBondContact N-O 2.8Å; D556-C560 WeakPolarHBondContact OD1-CB 3.42Å; D556-C560 PolarHBondContact OD1-N 2.79Å; D556-L562 HydrophobicContact CB-CD2 3.87Å
557	S	78.9	Confident	83	Confident	67 Å²	67	58.6 Å²	58.6	47%	0.469	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-12.5	176.4	58.5	0	0	0	0	114.4
558	N	76.9	Confident	83	Confident	130 Å²	130	63.8 Å²	63.8	70%	0.695	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-2	178	-43.6	-59.8	0	0	0	112.2	D556	D556-N558 PolarHBondContact O-N 3.4Å; D556-N558 VanDerWaalsContact OD1-C 3.26Å; D556-N558 VanDerWaalsContact OD1-CA 3.23Å; D556-N558 WeakPolarHBondContact OD1-CA 3.4Å; D556-N558 VanDerWaalsContact OD1-CB 3.25Å; D556-N558 WeakPolarHBondContact OD1-CB 3.45Å; D556-N558 PolarHBondContact OD1-N 3.5Å; D556-N558 PolarHBondContact OD2-ND2 2.92Å
559	G	78.9	Confident	82.8	Confident	51 Å²	51	61.4 Å²	61.4	53%	0.526	33%	0.329	S	S	.	.	S	Bend	trans	81.8	7.9	-175.9	0	0	0	0	0	114.9	D556	D556-G559 PolarHBondContact O-N 2.97Å; D556-G559 PolarHBondContact OD1-N 3.19Å
560	C	79.6	Confident	82.5	Confident	77 Å²	77	62.3 Å²	62.3	52%	0.52	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-83.3	135.2	176.2	-67	0	0	0	0	111	H555 D556	H555-C560 CarbonylContact C-O 3.5Å; H555-C560 WeakPolarHBondContact CA-O 3.32Å; D556-C560 PolarHBondContact N-O 2.8Å; D556-C560 WeakPolarHBondContact OD1-CB 3.42Å; D556-C560 PolarHBondContact OD1-N 2.79Å
561	T	84.1	Confident	81.9	Confident	64 Å²	64	62.3 Å²	62.3	39%	0.393	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-61.7	139.2	175.8	45.7	0	0	0	0	111.6	H552 L554 H555 K563	H552-T561 WeakPolarHBondContact O-CG2 3.08Å; L554-T561 CarbonylContact O-C 3.51Å; L554-T561 VanDerWaalsContact O-CA 3.32Å; L554-T561 WeakPolarHBondContact O-CA 3.3Å; H555-T561 WeakPolarHBondContact NE2-CG2 3.32Å; T561-K563 PolarHBondContact O-N 2.84Å
562	L	84.9	Confident	81.3	Confident	4 Å²	4	64.2 Å²	64.2	2%	0.021	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-66.5	127.2	178.8	-57.9	-171.8	0	0	0	109.8	W373 L551 L554 D556 W567 V579	W373-L562 HydrophobicContact CH2-CD2 4.44Å; W373-L562 HydrophobicContact CZ3-CD1 4.13Å; W373-L562 HydrophobicContact CZ3-CD2 4.08Å; W373-L562 HydrophobicContact CZ3-CG 4.36Å; L551-L562 CarbonylContact C-O 3.26Å; L551-L562 HydrophobicContact CB-CB 4.37Å; L551-L562 HydrophobicContact CD2-CB 4.19Å; L551-L562 HydrophobicContact CD2-CD1 4.23Å; L554-L562 HydrophobicContact CB-CB 4.5Å; L554-L562 HydrophobicContact CB-CD1 3.64Å; L554-L562 HydrophobicContact CB-CG 3.87Å; L554-L562 HydrophobicContact CD1-CD1 4.12Å; L554-L562 PolarHBondContact O-N 2.8Å; D556-L562 HydrophobicContact CB-CD2 3.87Å; L562-W567 HydrophobicContact CB-CB 4.43Å; L562-W567 HydrophobicContact CB-CG 4.15Å; L562-W567 HydrophobicContact CD1-CD2 4.34Å; L562-W567 HydrophobicContact CD1-CG 4.32Å; L562-W567 HydrophobicContact CD2-CD2 4.29Å; L562-W567 HydrophobicContact CD2-CG 4.34Å; L562-W567 HydrophobicContact CD2-CZ2 4.39Å; L562-V579 HydrophobicContact CD1-CG1 3.83Å
563	K	84.1	Confident	80.8	Confident	123 Å²	123	66.3 Å²	66.3	54%	0.535	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-88.9	133.6	179.6	-65.9	175.7	-174	165.9	0	110.4	T561 S565 D566 W567	T561-K563 PolarHBondContact O-N 2.84Å; K563-S565 PolarHBondContact O-N 3.33Å; K563-D566 WeakPolarHBondContact CD-OD2 3.49Å; K563-D566 PolarHBondContact O-N 2.97Å; K563-W567 PolarHBondContact O-N 3.13Å
564	P	84.2	Confident	80.7	Confident	38 Å²	38	72.4 Å²	72.4	25%	0.247	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-21	170.7	-31.9	38.8	0	0	0	116.2	N548 L551	N548-P564 HydrophobicContact CB-CG 3.92Å; N548-P564 VanDerWaalsContact OD1-CB 3.3Å; N548-P564 WeakPolarHBondContact OD1-CB 3.39Å; N548-P564 WeakPolarHBondContact OD1-CG 3.25Å; L551-P564 HydrophobicContact CD1-CB 4.38Å; L551-P564 HydrophobicContact CD1-CG 4.3Å
565	S	84.9	Confident	80	Confident	85 Å²	85	74 Å²	74	59%	0.594	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-37.2	173.8	-51.4	0	0	0	0	112.8	K563	K563-S565 PolarHBondContact O-N 3.33Å
566	D	82.6	Confident	79.6	Confident	61 Å²	61	74 Å²	74	33%	0.326	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-11.3	-167.8	-48.1	-35.9	0	0	0	112	K563 S581 V582	K563-D566 WeakPolarHBondContact CD-OD2 3.49Å; K563-D566 PolarHBondContact O-N 2.97Å; D566-S581 CarbonylContact O-C 3.59Å; D566-S581 VanDerWaalsContact O-CA 3.29Å; D566-S581 WeakPolarHBondContact O-CA 2.88Å; D566-S581 PolarHBondContact O-OG 3.01Å; D566-S581 VanDerWaalsContact O-OG 3.05Å; D566-V582 PolarHBondContact O-N 2.64Å
567	W	83.1	Confident	79.5	Confident	60 Å²	60	74.7 Å²	74.7	23%	0.227	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	146.2	-174.4	-60	90.9	0	0	0	111.8	L551 L562 K563 V579 V580	L551-W567 HydrophobicContact CD1-CB 4.39Å; L551-W567 WeakPolarHBondContact CD1-O 3.23Å; L551-W567 HydrophobicContact CD2-CB 3.81Å; L562-W567 HydrophobicContact CB-CB 4.43Å; L562-W567 HydrophobicContact CB-CG 4.15Å; L562-W567 HydrophobicContact CD1-CD2 4.34Å; L562-W567 HydrophobicContact CD1-CG 4.32Å; L562-W567 HydrophobicContact CD2-CD2 4.29Å; L562-W567 HydrophobicContact CD2-CG 4.34Å; L562-W567 HydrophobicContact CD2-CZ2 4.39Å; K563-W567 PolarHBondContact O-N 3.13Å; W567-V579 HydrophobicContact CB-CG1 4.47Å; W567-V579 HydrophobicContact CE3-CG1 3.87Å; W567-V580 CarbonylContact C-O 3.59Å; W567-V580 WeakPolarHBondContact CA-O 3.4Å
568	R	83.3	Confident	79.6	Confident	143 Å²	143	74.2 Å²	74.2	54%	0.54	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	147.3	173.9	-79.4	175.1	-164.5	-168.5	5	111.1	V580 V582	R568-V580 PolarHBondContact N-O 3.48Å; R568-V580 PolarHBondContact O-N 2.97Å; R568-V582 HydrophobicContact CB-CG2 4.1Å; R568-V582 HydrophobicContact CG-CG2 3.49Å; R568-V582 VanDerWaalsContact CG-CG2 3.49Å
569	I	84	Confident	80	Confident	5 Å²	5	70.4 Å²	70.4	3%	0.026	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	126.9	173.3	-64.6	178.7	0	0	0	109	Q547 L550 L551 I577 V579	Q547-I569 HydrophobicContact CB-CB 4.47Å; Q547-I569 HydrophobicContact CG-CB 4.19Å; L550-I569 HydrophobicContact CB-CD1 3.43Å; L550-I569 VanDerWaalsContact CB-CD1 3.43Å; L550-I569 HydrophobicContact CD1-CD1 4.03Å; L550-I569 HydrophobicContact CG-CD1 4.4Å; L551-I569 HydrophobicContact CD2-CD1 4.17Å; L551-I569 HydrophobicContact CD2-CG1 3.82Å; L551-I569 HydrophobicContact CG-CD1 3.99Å; L551-I569 HydrophobicContact CG-CG1 3.96Å; I569-I577 HydrophobicContact CG2-CG2 3.58Å; I569-V579 HydrophobicContact CG1-CG2 4.44Å
570	H	78.8	Confident	80.1	Confident	90 Å²	90	70.9 Å²	70.9	42%	0.417	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	149.5	168.6	-61.1	81.1	0	0	0	108.6	V578 V580	H570-V578 PolarHBondContact N-O 2.95Å; H570-V578 PolarHBondContact O-N 3.08Å; H570-V580 WeakPolarHBondContact ND1-CG2 3.18Å
571	L	73	Confident	80.2	Confident	28 Å²	28	70 Å²	70	15%	0.147	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	138.1	159.3	-70.6	-179.3	0	0	0	107.7	H348 N351 L352 E576 I577	H348-L571 HydrophobicContact CB-CD1 4.2Å; H348-L571 VanDerWaalsContact CE1-CG 3.47Å; H348-L571 WeakPolarHBondContact CE1-CG 3.49Å; H348-L571 WeakPolarHBondContact ND1-CD1 3.46Å; H348-L571 WeakPolarHBondContact NE2-CB 3.13Å; H348-L571 WeakPolarHBondContact NE2-CG 3.25Å; H348-L571 PolarHBondContact NE2-N 2.99Å; N351-L571 HydrophobicContact CB-CD1 4.32Å; L352-L571 HydrophobicContact CD1-CD2 4.43Å; L571-E576 CarbonylContact C-O 3.5Å; L571-E576 VanDerWaalsContact CA-O 3.3Å; L571-E576 WeakPolarHBondContact CA-O 3.45Å; L571-I577 HydrophobicContact CD2-CB 4.37Å; L571-I577 HydrophobicContact CD2-CG1 3.67Å
572	T	73.4	Confident	79.9	Confident	43 Å²	43	68.8 Å²	68.8	26%	0.264	36%	0.363	S	S	.	.			trans	-74.9	170.7	167.3	68.8	0	0	0	0	110.3	E574 D575 E576 V578	T572-E574 PolarHBondContact O-N 3.09Å; T572-E574 VanDerWaalsContact O-N 3.15Å; T572-E574 PolarHBondContact OG1-N 2.94Å; T572-D575 PolarHBondContact O-N 3.01Å; T572-E576 HydrophobicContact CG2-CB 4.06Å; T572-E576 PolarHBondContact N-O 3.08Å; T572-E576 WeakPolarHBondContact OG1-CB 3.13Å; T572-E576 PolarHBondContact OG1-N 2.91Å; T572-E576 VanDerWaalsContact OG1-N 3.13Å; T572-V578 HydrophobicContact CG2-CG2 3.55Å
573	T	73.8	Confident	78.8	Confident	146 Å²	146	72 Å²	72	90%	0.896	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-6.4	169.2	48.7	0	0	0	0	113.8
574	E	78.5	Confident	76.9	Confident	153 Å²	153	77.6 Å²	77.6	72%	0.715	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	16.9	177.3	-57.9	-172.8	-168.1	0	0	111.5	T572 E576	T572-E574 PolarHBondContact O-N 3.09Å; T572-E574 VanDerWaalsContact O-N 3.15Å; T572-E574 PolarHBondContact OG1-N 2.94Å; E574-E576 HydrophobicContact CB-CG 4.31Å; E574-E576 PolarHBondContact O-N 3.4Å
575	D	69.7	Low	76.5	Confident	77 Å²	77	79.6 Å²	79.6	41%	0.412	43%	0.434	S	S	.	.			trans	61.4	20.7	-178.1	-65.3	-39.1	0	0	0	115.3	N351 T572	N351-D575 PolarHBondContact ND2-OD1 3.06Å; N351-D575 PolarHBondContact ND2-OD2 3.37Å; T572-D575 PolarHBondContact O-N 3.01Å
576	E	75.8	Confident	76.1	Confident	68 Å²	68	79.3 Å²	79.3	32%	0.318	43%	0.425	S	S	.	.			trans	-82.9	135.4	177.3	-53.1	-176.2	125.8	0	0	111.9	L571 T572 E574 V578	L571-E576 CarbonylContact C-O 3.5Å; L571-E576 VanDerWaalsContact CA-O 3.3Å; L571-E576 WeakPolarHBondContact CA-O 3.45Å; T572-E576 HydrophobicContact CG2-CB 4.06Å; T572-E576 PolarHBondContact N-O 3.08Å; T572-E576 WeakPolarHBondContact OG1-CB 3.13Å; T572-E576 PolarHBondContact OG1-N 2.91Å; T572-E576 VanDerWaalsContact OG1-N 3.13Å; E574-E576 HydrophobicContact CB-CG 4.31Å; E574-E576 PolarHBondContact O-N 3.4Å; E576-V578 PolarHBondContact O-N 2.9Å
577	I	77.6	Confident	75.7	Confident	55 Å²	55	80.3 Å²	80.3	28%	0.282	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	108.4	176	-53	-168.7	0	0	0	110.1	L352 L358 I569 L571	L352-I577 HydrophobicContact CD1-CD1 3.84Å; L352-I577 HydrophobicContact CD1-CG1 4.47Å; L358-I577 HydrophobicContact CD2-CD1 3.48Å; L358-I577 VanDerWaalsContact CD2-CD1 3.48Å; L358-I577 HydrophobicContact CD2-CG1 4.21Å; I569-I577 HydrophobicContact CG2-CG2 3.58Å; L571-I577 HydrophobicContact CD2-CB 4.37Å; L571-I577 HydrophobicContact CD2-CG1 3.67Å
578	V	81.3	Confident	75.3	Confident	57 Å²	57	81.5 Å²	81.5	35%	0.345	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123.9	177.2	-177.1	0	0	0	0	110.2	H570 T572 E576 V580	H570-V578 PolarHBondContact N-O 2.95Å; H570-V578 PolarHBondContact O-N 3.08Å; T572-V578 HydrophobicContact CG2-CG2 3.55Å; E576-V578 PolarHBondContact O-N 2.9Å; V578-V580 HydrophobicContact CG1-CG2 3.76Å
579	V	84.3	Confident	74.8	Confident	50 Å²	50	77.6 Å²	77.6	30%	0.303	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	113.1	176.7	-173	0	0	0	0	108.8	L551 L554 L562 W567 I569	L551-V579 HydrophobicContact CD2-CG1 3.95Å; L554-V579 HydrophobicContact CD1-CG2 3.79Å; L562-V579 HydrophobicContact CD1-CG1 3.83Å; W567-V579 HydrophobicContact CB-CG1 4.47Å; W567-V579 HydrophobicContact CE3-CG1 3.87Å; I569-V579 HydrophobicContact CG1-CG2 4.44Å
580	V	81.4	Confident	74.2	Confident	61 Å²	61	82.5 Å²	82.5	37%	0.37	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132.2	-173.7	-175.7	0	0	0	0	109.2	W567 R568 H570 V578	W567-V580 CarbonylContact C-O 3.59Å; W567-V580 WeakPolarHBondContact CA-O 3.4Å; R568-V580 PolarHBondContact N-O 3.48Å; R568-V580 PolarHBondContact O-N 2.97Å; H570-V580 WeakPolarHBondContact ND1-CG2 3.18Å; V578-V580 HydrophobicContact CG1-CG2 3.76Å
581	S	82	Confident	73.9	Confident	58 Å²	58	81.9 Å²	81.9	41%	0.406	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	133.6	173	-177.9	0	0	0	0	110.6	D566 G583	D566-S581 CarbonylContact O-C 3.59Å; D566-S581 VanDerWaalsContact O-CA 3.29Å; D566-S581 WeakPolarHBondContact O-CA 2.88Å; D566-S581 PolarHBondContact O-OG 3.01Å; D566-S581 VanDerWaalsContact O-OG 3.05Å; S581-G583 PolarHBondContact O-N 2.81Å; S581-G583 VanDerWaalsContact O-N 3.09Å
582	V	77.2	Confident	73.9	Confident	39 Å²	39	86.1 Å²	86.1	24%	0.236	49%	0.492	C	S	.	.			trans	-78	91.3	171.7	-173.5	0	0	0	0	107.3	D566 R568 H584	D566-V582 PolarHBondContact O-N 2.64Å; R568-V582 HydrophobicContact CB-CG2 4.1Å; R568-V582 HydrophobicContact CG-CG2 3.49Å; R568-V582 VanDerWaalsContact CG-CG2 3.49Å; V582-H584 PolarHBondContact O-N 2.73Å
583	G	62	Low	74	Confident	71 Å²	71	89.7 Å²	89.7	73%	0.732	51%	0.511	S	S	*	.			trans	-57	132.5	176.8	0	0	0	0	0	111.7	S581	S581-G583 PolarHBondContact O-N 2.81Å; S581-G583 VanDerWaalsContact O-N 3.09Å
584	H	43.9	Very low	74	Confident	241 Å²	241	84.5 Å²	84.5	100%	1.116	48%	0.476	S	S	*	.			trans	-94.1	0	173.6	-110.9	-59.7	0	0	0	111.8	V582	V582-H584 PolarHBondContact O-N 2.73Å

Retrieved 584 of 584 residues in 466.5 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).