A0A3Q0KGG8_SCHMA Loading...

FHA domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KGG8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 631 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	42.9	Very low	55.7	Low	245 Å²	245	126 Å²	126	100%	1.207	66%	0.663	S	S	*	*				0	147.9	0	-70.4	172.1	168.3	0	0	108.7
2	K	43.1	Very low	57	Low	207 Å²	207	127.8 Å²	127.8	90%	0.9	66%	0.662	S	S	*	*			trans	-79.3	128.4	175.9	-68.4	-174.8	177.8	-177.4	0	110.1	I4	K2-I4 PolarHBondContact O-N 3.33Å
3	Q	43.8	Very low	58	Low	193 Å²	193	122.8 Å²	122.8	90%	0.902	64%	0.636	S	S	*	*			trans	-79.3	114.1	-176.9	-169.3	172.8	1.6	0	0	110
4	I	56.4	Low	58.8	Low	113 Å²	113	120.9 Å²	120.9	58%	0.579	63%	0.626	S	S	*	*			trans	-81.5	125.1	178.4	-63.8	176.1	0	0	0	108.4	K2 L8	K2-I4 PolarHBondContact O-N 3.33Å; I4-L8 HydrophobicContact CG2-CB 3.49Å; I4-L8 VanDerWaalsContact CG2-CB 3.49Å; I4-L8 HydrophobicContact CG2-CD1 4.12Å; I4-L8 HydrophobicContact CG2-CG 4.46Å
5	P	60.8	Low	59.6	Low	84 Å²	84	118.5 Å²	118.5	55%	0.545	61%	0.611	S	S	.	*			trans	-63.1	145.3	178.6	25.6	-34.5	0	0	0	111.5	A7 L8	P5-A7 PolarHBondContact O-N 3.43Å; P5-L8 HydrophobicContact CG-CD1 4.08Å; P5-L8 PolarHBondContact O-N 3.42Å
6	G	53.4	Low	60.3	Low	56 Å²	56	118.8 Å²	118.8	58%	0.577	61%	0.606	S	S	*	*	H	α-helix	trans	-55.3	-29.9	-168.1	0	0	0	0	0	115.5	L8 W9 S10	G6-L8 VanDerWaalsContact C-N 3.35Å; G6-L8 PolarHBondContact O-N 3.4Å; G6-W9 PolarHBondContact O-N 3.3Å; G6-W9 VanDerWaalsContact O-N 3.16Å; G6-S10 PolarHBondContact O-N 3.01Å; G6-S10 PolarHBondContact O-OG 3.06Å
7	A	55.7	Low	60.5	Low	74 Å²	74	115.8 Å²	115.8	61%	0.612	59%	0.591	S	S	*	*	H	α-helix	trans	-63.1	-34.5	175.9	0	0	0	0	0	113.7	P5 S10 F11	P5-A7 PolarHBondContact O-N 3.43Å; A7-S10 PolarHBondContact O-OG 3.11Å; A7-F11 WeakPolarHBondContact O-CB 3.38Å; A7-F11 PolarHBondContact O-N 2.97Å
8	L	59.5	Low	60.7	Low	101 Å²	101	119.3 Å²	119.3	53%	0.529	60%	0.596	S	S	.	*	H	α-helix	trans	-73.4	-31.7	174	-78.6	172.8	0	0	0	111.4	I4 P5 G6 F12	I4-L8 HydrophobicContact CG2-CB 3.49Å; I4-L8 VanDerWaalsContact CG2-CB 3.49Å; I4-L8 HydrophobicContact CG2-CD1 4.12Å; I4-L8 HydrophobicContact CG2-CG 4.46Å; P5-L8 HydrophobicContact CG-CD1 4.08Å; P5-L8 PolarHBondContact O-N 3.42Å; G6-L8 VanDerWaalsContact C-N 3.35Å; G6-L8 PolarHBondContact O-N 3.4Å; L8-F12 WeakPolarHBondContact O-CB 3.41Å; L8-F12 PolarHBondContact O-N 2.89Å
9	W	66.9	Low	60.8	Low	140 Å²	140	120.5 Å²	120.5	53%	0.53	60%	0.597	S	S	.	*	H	α-helix	trans	-71.9	-39.5	176	-156.9	70.7	0	0	0	112.1	G6 F12 L13	G6-W9 PolarHBondContact O-N 3.3Å; G6-W9 VanDerWaalsContact O-N 3.16Å; W9-F12 PolarHBondContact O-N 2.81Å; W9-L13 WeakPolarHBondContact O-CB 3.32Å; W9-L13 PolarHBondContact O-N 3.26Å
10	S	62	Low	60.5	Low	57 Å²	57	120.2 Å²	120.2	40%	0.399	60%	0.598	S	S	.	*	H	α-helix	trans	-66.6	-40	172.9	63.4	0	0	0	0	112	G6 A7 L13 L14	G6-S10 PolarHBondContact O-N 3.01Å; G6-S10 PolarHBondContact O-OG 3.06Å; A7-S10 PolarHBondContact O-OG 3.11Å; S10-L13 PolarHBondContact O-N 2.68Å; S10-L14 WeakPolarHBondContact O-CB 3.38Å; S10-L14 PolarHBondContact O-N 2.69Å
11	F	68.4	Low	60.2	Low	116 Å²	116	118.5 Å²	118.5	51%	0.509	60%	0.597	S	S	.	*	H	α-helix	trans	-61.2	-43	173	-176.5	-100.3	0	0	0	112.6	A7 L14 Q15	A7-F11 WeakPolarHBondContact O-CB 3.38Å; A7-F11 PolarHBondContact O-N 2.97Å; F11-L14 PolarHBondContact O-N 2.85Å; F11-Q15 HydrophobicContact CE1-CG 4.28Å; F11-Q15 VanDerWaalsContact CE1-NE2 3.28Å; F11-Q15 PolarHBondContact O-N 2.99Å
12	F	70.8	Confident	60.5	Low	148 Å²	148	113.3 Å²	113.3	65%	0.649	57%	0.57	S	S	*	*	H	α-helix	trans	-65.3	-39.4	176.8	-157.7	-91.3	0	0	0	112	L8 W9 Q15 K16	L8-F12 WeakPolarHBondContact O-CB 3.41Å; L8-F12 PolarHBondContact O-N 2.89Å; W9-F12 PolarHBondContact O-N 2.81Å; F12-Q15 PolarHBondContact O-N 3.05Å; F12-K16 PolarHBondContact O-N 2.81Å
13	L	70.7	Confident	60.6	Low	63 Å²	63	107.8 Å²	107.8	33%	0.33	56%	0.558	S	S	.	*	H	α-helix	trans	-65.7	-37.7	173.7	-159.9	74.4	0	0	0	111.7	W9 S10 K16 I17 Y42	W9-L13 WeakPolarHBondContact O-CB 3.32Å; W9-L13 PolarHBondContact O-N 3.26Å; S10-L13 PolarHBondContact O-N 2.68Å; L13-K16 WeakPolarHBondContact O-CB 3.42Å; L13-K16 PolarHBondContact O-N 2.84Å; L13-I17 HydrophobicContact CG-CD1 4.36Å; L13-I17 WeakPolarHBondContact O-CG1 3.34Å; L13-I17 PolarHBondContact O-N 2.94Å; L13-Y42 HydrophobicContact CD2-CD1 4.45Å; L13-Y42 HydrophobicContact CD2-CE1 4.07Å
14	L	68.9	Low	60.5	Low	96 Å²	96	103.9 Å²	103.9	50%	0.503	55%	0.549	S	S	.	.	H	α-helix	trans	-66.8	-41.7	176.6	-164.1	71	0	0	0	111.6	S10 F11 K16 I17 R18 I43	S10-L14 WeakPolarHBondContact O-CB 3.38Å; S10-L14 PolarHBondContact O-N 2.69Å; F11-L14 PolarHBondContact O-N 2.85Å; L14-K16 VanDerWaalsContact C-N 3.34Å; L14-K16 PolarHBondContact O-N 3.29Å; L14-I17 PolarHBondContact O-N 3.5Å; L14-R18 WeakPolarHBondContact O-CB 3.41Å; L14-R18 PolarHBondContact O-N 3.34Å; L14-I43 HydrophobicContact CD1-CD1 4.32Å
15	Q	70.1	Confident	59.8	Low	85 Å²	85	108.2 Å²	108.2	40%	0.397	56%	0.559	S	S	.	*	H	α-helix	trans	-61.4	-40.8	170.7	-77.7	-153.8	18.7	0	0	112.4	F11 F12 R18 K19	F11-Q15 HydrophobicContact CE1-CG 4.28Å; F11-Q15 VanDerWaalsContact CE1-NE2 3.28Å; F11-Q15 PolarHBondContact O-N 2.99Å; F12-Q15 PolarHBondContact O-N 3.05Å; Q15-R18 PolarHBondContact O-N 3.44Å; Q15-K19 WeakPolarHBondContact O-CG 3.35Å; Q15-K19 PolarHBondContact O-N 2.99Å
16	K	70.8	Confident	58.9	Low	123 Å²	123	110.7 Å²	110.7	54%	0.535	57%	0.568	S	S	.	*	H	α-helix	trans	-59.7	-51.1	177.4	-168.8	74.1	177.9	-178.5	0	110.8	F12 L13 L14 R18 K19 D20	F12-K16 PolarHBondContact O-N 2.81Å; L13-K16 WeakPolarHBondContact O-CB 3.42Å; L13-K16 PolarHBondContact O-N 2.84Å; L14-K16 VanDerWaalsContact C-N 3.34Å; L14-K16 PolarHBondContact O-N 3.29Å; K16-R18 VanDerWaalsContact C-N 3.34Å; K16-R18 PolarHBondContact O-N 2.94Å; K16-K19 PolarHBondContact O-N 3.26Å; K16-D20 VanDerWaalsContact O-CG 3.32Å; K16-D20 PolarHBondContact O-N 3.12Å
17	I	65.2	Low	58.2	Low	67 Å²	67	114.4 Å²	114.4	34%	0.344	59%	0.585	S	S	.	*	H	α-helix	trans	-61.6	-41.4	177.5	-66.7	164.6	0	0	0	111.1	L13 L14 D20 S21	L13-I17 HydrophobicContact CG-CD1 4.36Å; L13-I17 WeakPolarHBondContact O-CG1 3.34Å; L13-I17 PolarHBondContact O-N 2.94Å; L14-I17 PolarHBondContact O-N 3.5Å; I17-D20 PolarHBondContact O-N 3.48Å; I17-S21 WeakPolarHBondContact O-CB 3.4Å; I17-S21 PolarHBondContact O-N 2.88Å; I17-S21 PolarHBondContact O-OG 3.18Å
18	R	64	Low	57.4	Low	180 Å²	180	113.3 Å²	113.3	68%	0.679	57%	0.573	S	S	*	*	H	α-helix	trans	-63.3	-43.2	179.3	-161.7	170.9	-170.2	161.8	2	111.8	L14 Q15 K16 S21 Q22	L14-R18 WeakPolarHBondContact O-CB 3.41Å; L14-R18 PolarHBondContact O-N 3.34Å; Q15-R18 PolarHBondContact O-N 3.44Å; K16-R18 VanDerWaalsContact C-N 3.34Å; K16-R18 PolarHBondContact O-N 2.94Å; R18-S21 WeakPolarHBondContact CA-OG 3.48Å; R18-S21 PolarHBondContact O-N 3.14Å; R18-S21 PolarHBondContact O-OG 2.95Å; R18-Q22 WeakPolarHBondContact O-CG 3.48Å; R18-Q22 PolarHBondContact O-N 3.45Å
19	K	62.6	Low	56.7	Low	142 Å²	142	115 Å²	115	62%	0.617	59%	0.59	S	S	*	*	H	α-helix	trans	-64.5	-45.9	174.3	-74	178	176	176	0	112.2	Q15 K16 S21 Q22	Q15-K19 WeakPolarHBondContact O-CG 3.35Å; Q15-K19 PolarHBondContact O-N 2.99Å; K16-K19 PolarHBondContact O-N 3.26Å; K19-S21 PolarHBondContact O-N 3.16Å; K19-Q22 PolarHBondContact O-N 3.08Å
20	D	54.4	Low	55.7	Low	114 Å²	114	114.1 Å²	114.1	61%	0.61	60%	0.6	S	S	*	*	H	α-helix	trans	-63.2	-25.6	177	-67.8	-5.7	0	0	0	112.1	K16 I17	K16-D20 VanDerWaalsContact O-CG 3.32Å; K16-D20 PolarHBondContact O-N 3.12Å; I17-D20 PolarHBondContact O-N 3.48Å
21	S	53.4	Low	54.7	Low	85 Å²	85	121.7 Å²	121.7	59%	0.594	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-5.5	177.5	71	0	0	0	0	115.8	I17 R18 K19	I17-S21 WeakPolarHBondContact O-CB 3.4Å; I17-S21 PolarHBondContact O-N 2.88Å; I17-S21 PolarHBondContact O-OG 3.18Å; R18-S21 WeakPolarHBondContact CA-OG 3.48Å; R18-S21 PolarHBondContact O-N 3.14Å; R18-S21 PolarHBondContact O-OG 2.95Å; K19-S21 PolarHBondContact O-N 3.16Å
22	Q	50.4	Low	53.8	Low	136 Å²	136	121.4 Å²	121.4	64%	0.636	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	16.8	-177.4	-76.5	-177.5	-55.8	0	0	114	R18 K19 P24	R18-Q22 WeakPolarHBondContact O-CG 3.48Å; R18-Q22 PolarHBondContact O-N 3.45Å; K19-Q22 PolarHBondContact O-N 3.08Å; Q22-P24 VanDerWaalsContact O-CD 3.26Å; Q22-P24 WeakPolarHBondContact O-CD 3.26Å
23	S	43.7	Very low	52.9	Low	91 Å²	91	118 Å²	118	64%	0.636	62%	0.616	S	S	*	*			trans	-67.8	111.2	172	-178.7	0	0	0	0	110.6	Y25	S23-Y25 PolarHBondContact O-N 2.89Å
24	P	42.2	Very low	51.9	Low	110 Å²	110	117.7 Å²	117.7	71%	0.714	62%	0.622	S	S	*	*			trans	-87.4	31	-164.4	36.3	-36	0	0	0	114	Q22	Q22-P24 VanDerWaalsContact O-CD 3.26Å; Q22-P24 WeakPolarHBondContact O-CD 3.26Å
25	Y	42.3	Very low	51.1	Low	204 Å²	204	121.6 Å²	121.6	80%	0.8	64%	0.636	S	S	*	*			trans	-149.7	73.4	-175.6	-71.1	-75.3	0	0	0	112.9	S23	S23-Y25 PolarHBondContact O-N 2.89Å
26	D	41.9	Very low	50.1	Low	136 Å²	136	120.2 Å²	120.2	73%	0.727	63%	0.634	S	S	*	*			trans	-160.5	91.4	152.5	-147.6	-36.4	0	0	0	111.4	S28	D26-S28 PolarHBondContact O-N 3.42Å; D26-S28 PolarHBondContact OD1-OG 2.86Å
27	S	38.7	Very low	49.3	Very low	134 Å²	134	118.9 Å²	118.9	94%	0.937	63%	0.629	S	S	*	*			trans	-82.7	45.4	-174.7	-55.9	0	0	0	0	113.1
28	S	39.1	Very low	49.1	Very low	51 Å²	51	118.7 Å²	118.7	36%	0.357	63%	0.63	S	S	.	*			trans	-120.5	104.4	-174.8	62	0	0	0	0	112.4	D26 T30	D26-S28 PolarHBondContact O-N 3.42Å; D26-S28 PolarHBondContact OD1-OG 2.86Å; S28-T30 PolarHBondContact O-N 2.94Å
29	P	43.5	Very low	49	Very low	136 Å²	136	110.8 Å²	110.8	88%	0.883	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	9	-169.1	29.8	-36	0	0	0	115.2
30	T	47.2	Very low	49	Very low	123 Å²	123	110.8 Å²	110.8	76%	0.755	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.2	-1.4	-167.5	53.8	0	0	0	0	114.9	S28	S28-T30 PolarHBondContact O-N 2.94Å
31	R	40.5	Very low	49.3	Very low	215 Å²	215	108 Å²	108	81%	0.811	59%	0.59	S	S	*	*			trans	-137.4	65.7	-178.4	-74.6	-171.2	168.4	178.9	-1.7	114.5	P33	R31-P33 WeakPolarHBondContact O-CD 3.2Å
32	L	49.8	Very low	49.6	Very low	111 Å²	111	106.8 Å²	106.8	58%	0.581	57%	0.573	S	S	*	*			trans	-60.7	122.5	158.1	-72.9	178.6	0	0	0	109.2	A34 F37	L32-A34 PolarHBondContact O-N 3.21Å; L32-F37 HydrophobicContact CB-CD2 4.42Å; L32-F37 HydrophobicContact CD1-CD2 4.43Å; L32-F37 HydrophobicContact CD1-CE2 4.07Å
33	P	51.5	Low	50.3	Low	77 Å²	77	103.2 Å²	103.2	50%	0.5	56%	0.558	S	S	.	*			trans	-65.3	137	179.1	26.1	-32.9	0	0	0	109.5	R31 K35 C36	R31-P33 WeakPolarHBondContact O-CD 3.2Å; P33-K35 PolarHBondContact O-N 3.43Å; P33-C36 WeakPolarHBondContact O-CB 3.43Å; P33-C36 PolarHBondContact O-N 3.21Å
34	A	50.4	Low	51.2	Low	55 Å²	55	104.7 Å²	104.7	46%	0.455	55%	0.554	S	S	.	*	H	α-helix	trans	-52.5	-24.9	-172.3	0	0	0	0	0	114.7	L32 C36 F37 V38	L32-A34 PolarHBondContact O-N 3.21Å; A34-C36 VanDerWaalsContact C-N 3.27Å; A34-C36 PolarHBondContact O-N 2.83Å; A34-F37 PolarHBondContact O-N 3.39Å; A34-V38 WeakPolarHBondContact O-CG2 3.31Å; A34-V38 PolarHBondContact O-N 3.35Å
35	K	50.5	Low	52	Low	179 Å²	179	101.5 Å²	101.5	78%	0.778	53%	0.531	S	S	*	.	H	α-helix	trans	-51.1	-42.6	169.8	-60.6	177.3	-177.3	175	0	112.7	P33 G39	P33-K35 PolarHBondContact O-N 3.43Å; K35-G39 PolarHBondContact O-N 2.88Å
36	C	50.8	Low	53.1	Low	55 Å²	55	93.9 Å²	93.9	37%	0.372	50%	0.503	S	S	.	.	H	α-helix	trans	-72	-35.7	-179.4	-63.4	0	0	0	0	112.4	P33 A34 G39 K40	P33-C36 WeakPolarHBondContact O-CB 3.43Å; P33-C36 PolarHBondContact O-N 3.21Å; A34-C36 VanDerWaalsContact C-N 3.27Å; A34-C36 PolarHBondContact O-N 2.83Å; C36-G39 PolarHBondContact O-N 2.92Å; C36-K40 WeakPolarHBondContact O-CG 3.49Å; C36-K40 PolarHBondContact O-N 3.45Å
37	F	53.8	Low	54	Low	96 Å²	96	95.4 Å²	95.4	42%	0.421	50%	0.504	S	S	.	.	H	α-helix	trans	-67.1	-46.6	174.6	-109.3	-83.4	0	0	0	111.6	L32 A34 G39 K40 L41	L32-F37 HydrophobicContact CB-CD2 4.42Å; L32-F37 HydrophobicContact CD1-CD2 4.43Å; L32-F37 HydrophobicContact CD1-CE2 4.07Å; A34-F37 PolarHBondContact O-N 3.39Å; F37-G39 VanDerWaalsContact C-N 3.29Å; F37-G39 PolarHBondContact O-N 2.97Å; F37-K40 PolarHBondContact O-N 3.05Å; F37-L41 PolarHBondContact O-N 3.14Å
38	V	61	Low	55.1	Low	62 Å²	62	94.7 Å²	94.7	38%	0.376	48%	0.481	S	S	.	.	H	α-helix	trans	-61.3	-39	174	174.4	0	0	0	0	111.1	A34 L41 Y42 F622	A34-V38 WeakPolarHBondContact O-CG2 3.31Å; A34-V38 PolarHBondContact O-N 3.35Å; V38-L41 PolarHBondContact O-N 3.26Å; V38-Y42 VanDerWaalsContact O-CB 3.23Å; V38-Y42 WeakPolarHBondContact O-CB 3.43Å; V38-Y42 PolarHBondContact O-N 2.91Å; V38-F622 HydrophobicContact CG1-CZ 4.37Å
39	G	61.1	Low	55.9	Low	15 Å²	15	95.1 Å²	95.1	16%	0.155	48%	0.477	C	S	.	.	H	α-helix	trans	-60	-46.8	173.8	0	0	0	0	0	113.4	K35 C36 F37 Y42 I43	K35-G39 PolarHBondContact O-N 2.88Å; C36-G39 PolarHBondContact O-N 2.92Å; F37-G39 VanDerWaalsContact C-N 3.29Å; F37-G39 PolarHBondContact O-N 2.97Å; G39-Y42 PolarHBondContact O-N 3.35Å; G39-I43 VanDerWaalsContact O-CG1 3.3Å; G39-I43 WeakPolarHBondContact O-CG1 3.44Å; G39-I43 PolarHBondContact O-N 2.98Å
40	K	62.8	Low	56.2	Low	142 Å²	142	92.9 Å²	92.9	62%	0.617	46%	0.457	S	S	*	.	H	α-helix	trans	-63.9	-43.6	176.6	-73.8	-178.1	177.4	-174.5	0	112.3	C36 F37 I43 H44	C36-K40 WeakPolarHBondContact O-CG 3.49Å; C36-K40 PolarHBondContact O-N 3.45Å; F37-K40 PolarHBondContact O-N 3.05Å; K40-I43 PolarHBondContact O-N 2.86Å; K40-H44 PolarHBondContact O-N 3.29Å
41	L	60.6	Low	56.3	Low	54 Å²	54	90.6 Å²	90.6	28%	0.283	46%	0.458	S	S	.	.	H	α-helix	trans	-63.1	-40.4	175.3	-81.1	161.2	0	0	0	112.4	F37 V38 H44 L45 F622	F37-L41 PolarHBondContact O-N 3.14Å; V38-L41 PolarHBondContact O-N 3.26Å; L41-H44 PolarHBondContact O-N 2.9Å; L41-L45 PolarHBondContact O-N 3.27Å; L41-F622 HydrophobicContact CB-CD2 4.31Å; L41-F622 HydrophobicContact CB-CE2 3.96Å; L41-F622 HydrophobicContact CD1-CD2 4.13Å; L41-F622 HydrophobicContact CD1-CE2 4Å
42	Y	60.7	Low	56.7	Low	61 Å²	61	85.9 Å²	85.9	24%	0.239	44%	0.444	C	S	.	.	H	α-helix	trans	-64.6	-41.4	176	-178	-111.4	0	0	0	112.1	L13 V38 G39 H44 L45 I46 L67	L13-Y42 HydrophobicContact CD2-CD1 4.45Å; L13-Y42 HydrophobicContact CD2-CE1 4.07Å; V38-Y42 VanDerWaalsContact O-CB 3.23Å; V38-Y42 WeakPolarHBondContact O-CB 3.43Å; V38-Y42 PolarHBondContact O-N 2.91Å; G39-Y42 PolarHBondContact O-N 3.35Å; Y42-H44 VanDerWaalsContact C-N 3.35Å; Y42-L45 PolarHBondContact O-N 3.42Å; Y42-I46 HydrophobicContact CD1-CD1 3.84Å; Y42-I46 HydrophobicContact CE1-CD1 3.39Å; Y42-I46 HydrophobicContact CE2-CD1 4.17Å; Y42-I46 HydrophobicContact CG-CD1 4.4Å; Y42-I46 WeakPolarHBondContact O-CB 3.4Å; Y42-I46 WeakPolarHBondContact O-CG1 3.47Å; Y42-I46 PolarHBondContact O-N 2.99Å; Y42-L67 HydrophobicContact CE2-CD2 3.84Å
43	I	65.2	Low	56.5	Low	61 Å²	61	85.5 Å²	85.5	31%	0.313	45%	0.446	S	S	.	.	H	α-helix	trans	-63	-41.2	172.8	-68.7	164.6	0	0	0	110.8	L14 G39 K40 I46 F47	L14-I43 HydrophobicContact CD1-CD1 4.32Å; G39-I43 VanDerWaalsContact O-CG1 3.3Å; G39-I43 WeakPolarHBondContact O-CG1 3.44Å; G39-I43 PolarHBondContact O-N 2.98Å; K40-I43 PolarHBondContact O-N 2.86Å; I43-I46 PolarHBondContact O-N 3.44Å; I43-F47 HydrophobicContact CG2-CD2 3.9Å; I43-F47 HydrophobicContact CG2-CE2 4.19Å; I43-F47 PolarHBondContact O-N 2.92Å
44	H	61.8	Low	56	Low	121 Å²	121	84.1 Å²	84.1	56%	0.56	43%	0.434	S	S	*	.	H	α-helix	trans	-66.3	-42.5	178.6	-164.4	-84.8	0	0	0	112.6	K40 L41 Y42 I46 F47 R48	K40-H44 PolarHBondContact O-N 3.29Å; L41-H44 PolarHBondContact O-N 2.9Å; Y42-H44 VanDerWaalsContact C-N 3.35Å; H44-I46 VanDerWaalsContact C-N 3.33Å; H44-F47 PolarHBondContact O-N 3.39Å; H44-R48 WeakPolarHBondContact O-CB 3.39Å; H44-R48 PolarHBondContact O-N 3.02Å
45	L	59.1	Low	55.6	Low	43 Å²	43	89.4 Å²	89.4	23%	0.225	45%	0.447	C	S	.	.	H	α-helix	trans	-62.2	-40.6	171.1	-105.4	68.9	0	0	0	111.6	L41 Y42 R48 H49	L41-L45 PolarHBondContact O-N 3.27Å; Y42-L45 PolarHBondContact O-N 3.42Å; L45-R48 PolarHBondContact O-N 2.65Å; L45-H49 PolarHBondContact O-CD2 2.71Å; L45-H49 PolarHBondContact O-N 2.94Å
46	I	64.3	Low	55.4	Low	44 Å²	44	84 Å²	84	23%	0.226	44%	0.441	C	S	.	.	H	α-helix	trans	-60.1	-48.6	175.7	-81.3	175.2	0	0	0	111	Y42 I43 H44 R48 N50	Y42-I46 HydrophobicContact CD1-CD1 3.84Å; Y42-I46 HydrophobicContact CE1-CD1 3.39Å; Y42-I46 HydrophobicContact CE2-CD1 4.17Å; Y42-I46 HydrophobicContact CG-CD1 4.4Å; Y42-I46 WeakPolarHBondContact O-CB 3.4Å; Y42-I46 WeakPolarHBondContact O-CG1 3.47Å; Y42-I46 PolarHBondContact O-N 2.99Å; I43-I46 PolarHBondContact O-N 3.44Å; H44-I46 VanDerWaalsContact C-N 3.33Å; I46-R48 PolarHBondContact O-N 3.46Å; I46-N50 WeakPolarHBondContact CA-ND2 3.46Å; I46-N50 WeakPolarHBondContact O-CA 3.36Å; I46-N50 VanDerWaalsContact O-CB 3.24Å; I46-N50 WeakPolarHBondContact O-CB 3.45Å; I46-N50 PolarHBondContact O-N 2.81Å; I46-N50 PolarHBondContact O-ND2 2.86Å
47	F	61.8	Low	54.8	Low	169 Å²	169	90 Å²	90	74%	0.741	46%	0.458	S	S	*	.	H	α-helix	trans	-69.1	-28.9	178.8	-95.5	-87.2	0	0	0	114	I43 H44	I43-F47 HydrophobicContact CG2-CD2 3.9Å; I43-F47 HydrophobicContact CG2-CE2 4.19Å; I43-F47 PolarHBondContact O-N 2.92Å; H44-F47 PolarHBondContact O-N 3.39Å
48	R	60.6	Low	54.5	Low	119 Å²	119	90.7 Å²	90.7	45%	0.449	47%	0.472	S	S	.	.	H	α-helix	trans	-79.9	-18	-179.5	-179.9	171.7	154.9	114.6	-16.2	113.6	H44 L45 I46 K52 D618	H44-R48 WeakPolarHBondContact O-CB 3.39Å; H44-R48 PolarHBondContact O-N 3.02Å; L45-R48 PolarHBondContact O-N 2.65Å; I46-R48 PolarHBondContact O-N 3.46Å; R48-K52 WeakPolarHBondContact O-CE 3.43Å; R48-D618 IonicContact CZ-OD2 3.74Å; R48-D618 VanDerWaalsContact CZ-OD2 3.31Å; R48-D618 IonicContact NE-OD2 3.72Å; R48-D618 PolarHBondContact NE-OD2 3.46Å; R48-D618 IonicContact NH2-OD1 2.72Å; R48-D618 PolarHBondContact NH2-OD1 3.01Å; R48-D618 VanDerWaalsContact NH2-OD1 3.17Å; R48-D618 IonicContact NH2-OD2 3.53Å; R48-D618 PolarHBondContact NH2-OD2 3Å
49	H	56.1	Low	53.8	Low	60 Å²	60	91.1 Å²	91.1	28%	0.278	47%	0.474	S	S	.	.	H	α-helix	trans	-125.9	-26.4	-176.5	-65.4	-97.5	0	0	0	115.3	L45	L45-H49 PolarHBondContact O-CD2 2.71Å; L45-H49 PolarHBondContact O-N 2.94Å
50	N	50.4	Low	53.3	Low	88 Å²	88	98.8 Å²	98.8	47%	0.471	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	136.5	166.3	-61.9	-95.8	0	0	0	108.7	I46	I46-N50 WeakPolarHBondContact CA-ND2 3.46Å; I46-N50 WeakPolarHBondContact O-CA 3.36Å; I46-N50 VanDerWaalsContact O-CB 3.24Å; I46-N50 WeakPolarHBondContact O-CB 3.45Å; I46-N50 PolarHBondContact O-N 2.81Å; I46-N50 PolarHBondContact O-ND2 2.86Å
51	G	49.4	Very low	52.7	Low	75 Å²	75	97.8 Å²	97.8	77%	0.773	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.5	-10.6	-172.6	0	0	0	0	0	114.3	T53	G51-T53 VanDerWaalsContact C-N 3.28Å; G51-T53 PolarHBondContact O-N 2.87Å
52	K	47.9	Very low	52.4	Low	116 Å²	116	99 Å²	99	50%	0.504	52%	0.517	S	S	.	.			trans	-77.4	77.8	164.9	-72.8	-178.4	177.5	173.4	0	110.2	R48 M54	R48-K52 WeakPolarHBondContact O-CE 3.43Å; K52-M54 PolarHBondContact O-N 3.24Å
53	T	45.7	Very low	51.9	Low	104 Å²	104	101.3 Å²	101.3	64%	0.638	53%	0.525	S	S	*	.			trans	-66.9	120.6	167.3	38.5	0	0	0	0	109.8	G51	G51-T53 VanDerWaalsContact C-N 3.28Å; G51-T53 PolarHBondContact O-N 2.87Å
54	M	42.5	Very low	51	Low	48 Å²	48	102.9 Å²	102.9	24%	0.236	53%	0.53	C	S	.	.	B	Isolated β-bridge	trans	-93.6	111.1	164.5	-72.6	-96.2	-72.8	0	0	106.7	K52 G56 Y57 V59 I604	K52-M54 PolarHBondContact O-N 3.24Å; M54-G56 VanDerWaalsContact C-N 3.3Å; M54-G56 PolarHBondContact O-N 3.26Å; M54-Y57 PolarHBondContact O-N 3.37Å; M54-V59 HydrophobicContact CB-CG2 3.86Å; M54-V59 HydrophobicContact CG-CG2 4.1Å; M54-I604 HydrophobicContact CE-CG2 4.2Å
55	F	41	Very low	50.9	Low	165 Å²	165	104.5 Å²	104.5	72%	0.724	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	45.4	176.7	-62.1	-84.5	0	0	0	114.3	Y57 I604	F55-Y57 VanDerWaalsContact O-CD2 3.29Å; F55-Y57 WeakPolarHBondContact O-CD2 3.44Å; F55-Y57 PolarHBondContact O-N 2.94Å; F55-I604 HydrophobicContact CE2-CD1 4.23Å
56	G	47.3	Very low	50.8	Low	65 Å²	65	106 Å²	106	67%	0.67	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	-15.4	175.8	0	0	0	0	0	116.4	M54	M54-G56 VanDerWaalsContact C-N 3.3Å; M54-G56 PolarHBondContact O-N 3.26Å
57	Y	36.9	Very low	50.6	Low	181 Å²	181	107.1 Å²	107.1	71%	0.71	55%	0.55	S	S	*	.	B	Isolated β-bridge	trans	-85.6	140.9	-179.9	-73.4	-84.2	0	0	0	112.7	M54 F55 V59	M54-Y57 PolarHBondContact O-N 3.37Å; F55-Y57 VanDerWaalsContact O-CD2 3.29Å; F55-Y57 WeakPolarHBondContact O-CD2 3.44Å; F55-Y57 PolarHBondContact O-N 2.94Å; Y57-V59 PolarHBondContact O-N 3.35Å; Y57-V59 VanDerWaalsContact O-N 3.13Å
58	P	47.5	Very low	50.8	Low	111 Å²	111	105.5 Å²	105.5	72%	0.721	54%	0.542	S	S	*	.			trans	-70.6	106.8	169.6	29.5	-32.5	0	0	0	109.2	E60	P58-E60 PolarHBondContact O-N 2.89Å
59	V	47.1	Very low	51.4	Low	71 Å²	71	106.8 Å²	106.8	43%	0.43	55%	0.551	S	S	.	*			trans	-71.5	95.2	172.7	-173.9	0	0	0	0	108.5	M54 Y57 L61	M54-V59 HydrophobicContact CB-CG2 3.86Å; M54-V59 HydrophobicContact CG-CG2 4.1Å; Y57-V59 PolarHBondContact O-N 3.35Å; Y57-V59 VanDerWaalsContact O-N 3.13Å; V59-L61 HydrophobicContact CB-CD1 4.22Å; V59-L61 HydrophobicContact CG1-CD1 3.66Å; V59-L61 HydrophobicContact CG1-CG 4.01Å; V59-L61 PolarHBondContact O-N 2.86Å
60	E	51.1	Low	51.7	Low	177 Å²	177	106.6 Å²	106.6	83%	0.827	56%	0.56	S	S	*	*			trans	-68.7	71.1	165.7	-69.5	-157.7	173.6	0	0	110.5	P58 T62	P58-E60 PolarHBondContact O-N 2.89Å; E60-T62 PolarHBondContact O-N 2.88Å
61	L	49.7	Very low	52.3	Low	121 Å²	121	109.6 Å²	109.6	63%	0.634	57%	0.565	S	S	*	*			trans	-52.7	137.5	155.6	-73.5	113.2	0	0	0	107.5	V59 W63	V59-L61 HydrophobicContact CB-CD1 4.22Å; V59-L61 HydrophobicContact CG1-CD1 3.66Å; V59-L61 HydrophobicContact CG1-CG 4.01Å; V59-L61 PolarHBondContact O-N 2.86Å; L61-W63 PolarHBondContact O-N 2.67Å
62	T	53.7	Low	53.1	Low	80 Å²	80	108.9 Å²	108.9	49%	0.491	55%	0.552	S	S	.	*			trans	-76.1	34.3	-178.1	50.9	0	0	0	0	113.3	E60 F64 K65 D66	E60-T62 PolarHBondContact O-N 2.88Å; T62-F64 PolarHBondContact O-N 2.68Å; T62-K65 HydrophobicContact CG2-CD 4.36Å; T62-K65 WeakPolarHBondContact O-CB 3.36Å; T62-K65 PolarHBondContact O-N 2.9Å; T62-D66 PolarHBondContact O-N 3.23Å
63	W	51.7	Low	54.2	Low	108 Å²	108	111 Å²	111	41%	0.409	56%	0.561	S	S	.	*	H	α-helix	trans	-50.8	-34.2	-175.8	59.3	-95	0	0	0	112.7	L61 L67	L61-W63 PolarHBondContact O-N 2.67Å; W63-L67 WeakPolarHBondContact O-CB 3.48Å; W63-L67 PolarHBondContact O-N 3.44Å
64	F	44.8	Very low	55.3	Low	95 Å²	95	109.6 Å²	109.6	42%	0.417	55%	0.548	S	S	.	.	H	α-helix	trans	-72	-26.8	177.6	-153.6	-109.4	0	0	0	114.3	T62 K68	T62-F64 PolarHBondContact O-N 2.68Å; F64-K68 HydrophobicContact CD1-CD 4.39Å; F64-K68 HydrophobicContact CE1-CD 4.35Å; F64-K68 WeakPolarHBondContact O-CB 3.25Å; F64-K68 VanDerWaalsContact O-CG 3.3Å; F64-K68 WeakPolarHBondContact O-CG 3.49Å; F64-K68 PolarHBondContact O-N 3.44Å
65	K	60.1	Low	56.1	Low	155 Å²	155	113 Å²	113	67%	0.674	56%	0.559	S	S	*	*	H	α-helix	trans	-75.3	-49.7	173.5	-70.7	-179	178.5	172	0	110.2	T62 K68 K69	T62-K65 HydrophobicContact CG2-CD 4.36Å; T62-K65 WeakPolarHBondContact O-CB 3.36Å; T62-K65 PolarHBondContact O-N 2.9Å; K65-K68 WeakPolarHBondContact O-CB 3.33Å; K65-K68 PolarHBondContact O-N 3.01Å; K65-K69 WeakPolarHBondContact O-CB 3.37Å; K65-K69 PolarHBondContact O-N 3.32Å
66	D	56.2	Low	57.2	Low	73 Å²	73	108.9 Å²	108.9	39%	0.39	54%	0.542	S	S	.	.	H	α-helix	trans	-76.2	-31.6	-175.9	-65.3	-63.1	0	0	0	113.1	T62 K69 A70	T62-D66 PolarHBondContact O-N 3.23Å; D66-K69 WeakPolarHBondContact O-CB 3.28Å; D66-K69 PolarHBondContact O-N 2.95Å; D66-A70 WeakPolarHBondContact O-CB 3.48Å; D66-A70 PolarHBondContact O-N 2.92Å
67	L	61.2	Low	57.8	Low	69 Å²	69	111.4 Å²	111.4	36%	0.361	54%	0.537	S	S	.	.	H	α-helix	trans	-66.2	-36.7	169.5	-172.8	64.4	0	0	0	111.8	Y42 W63 R71	Y42-L67 HydrophobicContact CE2-CD2 3.84Å; W63-L67 WeakPolarHBondContact O-CB 3.48Å; W63-L67 PolarHBondContact O-N 3.44Å; L67-R71 WeakPolarHBondContact O-CB 3.22Å; L67-R71 PolarHBondContact O-N 3.36Å
68	K	66.3	Low	58.8	Low	134 Å²	134	108.8 Å²	108.8	58%	0.583	53%	0.525	S	S	*	.	H	α-helix	trans	-62.1	-44.4	169.4	-86.2	-178.3	172.9	-175.5	0	111.3	F64 K65 R71 A72	F64-K68 HydrophobicContact CD1-CD 4.39Å; F64-K68 HydrophobicContact CE1-CD 4.35Å; F64-K68 WeakPolarHBondContact O-CB 3.25Å; F64-K68 VanDerWaalsContact O-CG 3.3Å; F64-K68 WeakPolarHBondContact O-CG 3.49Å; F64-K68 PolarHBondContact O-N 3.44Å; K65-K68 WeakPolarHBondContact O-CB 3.33Å; K65-K68 PolarHBondContact O-N 3.01Å; K68-R71 PolarHBondContact O-N 3.11Å; K68-A72 VanDerWaalsContact O-CB 3.32Å; K68-A72 WeakPolarHBondContact O-CB 3.45Å; K68-A72 PolarHBondContact O-N 3.04Å
69	K	72.2	Confident	59.3	Low	146 Å²	146	111 Å²	111	64%	0.635	52%	0.519	S	S	*	.	H	α-helix	trans	-64	-44.4	179.6	-163.9	176.6	-178.9	-177.4	0	112.2	K65 D66 A72 K73	K65-K69 WeakPolarHBondContact O-CB 3.37Å; K65-K69 PolarHBondContact O-N 3.32Å; D66-K69 WeakPolarHBondContact O-CB 3.28Å; D66-K69 PolarHBondContact O-N 2.95Å; K69-A72 PolarHBondContact O-N 3.46Å; K69-K73 PolarHBondContact O-N 2.99Å
70	A	63	Low	59.8	Low	57 Å²	57	113 Å²	113	47%	0.471	52%	0.524	S	S	.	.	H	α-helix	trans	-65.1	-43.9	174.6	0	0	0	0	0	112.1	D66 A72 K73 M74	D66-A70 WeakPolarHBondContact O-CB 3.48Å; D66-A70 PolarHBondContact O-N 2.92Å; A70-A72 PolarHBondContact O-N 3.17Å; A70-K73 PolarHBondContact O-N 3.41Å; A70-M74 PolarHBondContact O-N 3.34Å
71	R	64	Low	60.1	Low	150 Å²	150	110 Å²	110	57%	0.566	52%	0.518	S	S	*	.	H	α-helix	trans	-62.7	-41.3	175.2	-172.7	173.7	-176.8	-136.8	-12.1	111.7	L67 K68 M74 Y75	L67-R71 WeakPolarHBondContact O-CB 3.22Å; L67-R71 PolarHBondContact O-N 3.36Å; K68-R71 PolarHBondContact O-N 3.11Å; R71-M74 PolarHBondContact O-N 2.75Å; R71-Y75 HydrophobicContact CG-CD2 3.98Å; R71-Y75 HydrophobicContact CG-CE2 3.71Å; R71-Y75 PolarHBondContact NH2-OH 3.38Å; R71-Y75 VanDerWaalsContact NH2-OH 3.12Å; R71-Y75 WeakPolarHBondContact O-CD2 3.21Å; R71-Y75 PolarHBondContact O-N 3.49Å; R71-Y75 VanDerWaalsContact O-N 3.11Å
72	A	65	Low	60.2	Low	60 Å²	60	114.8 Å²	114.8	50%	0.496	53%	0.527	S	S	.	.	H	α-helix	trans	-62.1	-47.3	174.4	0	0	0	0	0	111.6	K68 K69 A70 M74 Y75 E76	K68-A72 VanDerWaalsContact O-CB 3.32Å; K68-A72 WeakPolarHBondContact O-CB 3.45Å; K68-A72 PolarHBondContact O-N 3.04Å; K69-A72 PolarHBondContact O-N 3.46Å; A70-A72 PolarHBondContact O-N 3.17Å; A72-M74 VanDerWaalsContact C-N 3.32Å; A72-M74 PolarHBondContact O-N 3.03Å; A72-Y75 PolarHBondContact O-N 2.98Å; A72-Y75 VanDerWaalsContact O-N 3.17Å; A72-E76 PolarHBondContact O-N 3.26Å
73	K	70.6	Confident	60	Low	160 Å²	160	120.7 Å²	120.7	70%	0.696	54%	0.541	S	S	*	.	H	α-helix	trans	-56.7	-43.6	176.3	-170.2	178.2	179.7	-177.3	0	112.1	K69 A70 E76 E77	K69-K73 PolarHBondContact O-N 2.99Å; A70-K73 PolarHBondContact O-N 3.41Å; K73-E76 PolarHBondContact O-N 3.22Å; K73-E77 WeakPolarHBondContact O-CB 3.45Å; K73-E77 PolarHBondContact O-N 3.43Å
74	M	68.7	Low	59.7	Low	75 Å²	75	122.6 Å²	122.6	37%	0.369	55%	0.552	S	S	.	*	H	α-helix	trans	-66.7	-34.9	177.9	-167.2	-135	-60.9	0	0	113.3	A70 R71 A72 R78	A70-M74 PolarHBondContact O-N 3.34Å; R71-M74 PolarHBondContact O-N 2.75Å; A72-M74 VanDerWaalsContact C-N 3.32Å; A72-M74 PolarHBondContact O-N 3.03Å; M74-R78 WeakPolarHBondContact O-CB 3.34Å; M74-R78 WeakPolarHBondContact O-CG 3.36Å; M74-R78 PolarHBondContact O-N 3.17Å; M74-R78 VanDerWaalsContact O-N 3.14Å
75	Y	59.9	Low	60	Low	120 Å²	120	122.5 Å²	122.5	47%	0.471	56%	0.561	S	S	.	*	H	α-helix	trans	-72.8	-32.7	172.8	-80.2	-64.5	0	0	0	112.6	R71 A72 R78 R79	R71-Y75 HydrophobicContact CG-CD2 3.98Å; R71-Y75 HydrophobicContact CG-CE2 3.71Å; R71-Y75 PolarHBondContact NH2-OH 3.38Å; R71-Y75 VanDerWaalsContact NH2-OH 3.12Å; R71-Y75 WeakPolarHBondContact O-CD2 3.21Å; R71-Y75 PolarHBondContact O-N 3.49Å; R71-Y75 VanDerWaalsContact O-N 3.11Å; A72-Y75 PolarHBondContact O-N 2.98Å; A72-Y75 VanDerWaalsContact O-N 3.17Å; Y75-R78 CarbonylContact O-C 3.48Å; Y75-R78 PolarHBondContact O-N 2.88Å; Y75-R79 WeakPolarHBondContact O-CG 3.33Å; Y75-R79 PolarHBondContact O-N 2.92Å
76	E	64.3	Low	59.3	Low	79 Å²	79	120.8 Å²	120.8	37%	0.369	57%	0.565	S	S	.	*	H	α-helix	trans	-71.7	-41.6	176.8	-173.6	48.3	-141	0	0	111.6	A72 K73 R78 R79 Q80	A72-E76 PolarHBondContact O-N 3.26Å; K73-E76 PolarHBondContact O-N 3.22Å; E76-R78 VanDerWaalsContact C-N 3.32Å; E76-R78 PolarHBondContact O-N 3.26Å; E76-R79 WeakPolarHBondContact O-CA 3.28Å; E76-R79 WeakPolarHBondContact O-CB 3.48Å; E76-R79 PolarHBondContact O-N 2.94Å; E76-R79 VanDerWaalsContact OE2-CD 3.28Å; E76-R79 WeakPolarHBondContact OE2-CD 3.35Å; E76-R79 IonicContact OE2-NH1 3.66Å; E76-Q80 WeakPolarHBondContact O-CG 3.23Å; E76-Q80 PolarHBondContact O-N 3.2Å; E76-Q80 PolarHBondContact OE1-NE2 3.04Å
77	E	59.7	Low	58.8	Low	118 Å²	118	122.4 Å²	122.4	55%	0.551	57%	0.574	S	S	*	*	H	α-helix	trans	-55.9	-45.7	168.7	-172.5	177.3	-173	0	0	111.2	K73 R79 Q80 V81	K73-E77 WeakPolarHBondContact O-CB 3.45Å; K73-E77 PolarHBondContact O-N 3.43Å; E77-R79 VanDerWaalsContact C-N 3.29Å; E77-R79 PolarHBondContact O-N 2.97Å; E77-Q80 PolarHBondContact O-N 2.93Å; E77-V81 WeakPolarHBondContact O-CG2 3.18Å; E77-V81 PolarHBondContact O-N 3.42Å
78	R	57.2	Low	58.1	Low	125 Å²	125	128.2 Å²	128.2	47%	0.472	60%	0.6	S	S	.	*	H	α-helix	trans	-65.4	-24.6	173	-78.4	177.6	170.5	-101.3	1	114.4	M74 Y75 E76	M74-R78 WeakPolarHBondContact O-CB 3.34Å; M74-R78 WeakPolarHBondContact O-CG 3.36Å; M74-R78 PolarHBondContact O-N 3.17Å; M74-R78 VanDerWaalsContact O-N 3.14Å; Y75-R78 CarbonylContact O-C 3.48Å; Y75-R78 PolarHBondContact O-N 2.88Å; E76-R78 VanDerWaalsContact C-N 3.32Å; E76-R78 PolarHBondContact O-N 3.26Å
79	R	58.4	Low	57	Low	158 Å²	158	131.2 Å²	131.2	60%	0.596	61%	0.607	S	S	*	*	H	α-helix	trans	-75.2	-43.5	172.4	-80.3	170.9	166.4	-172.9	-3.7	110.7	Y75 E76 E77 R82 R83	Y75-R79 WeakPolarHBondContact O-CG 3.33Å; Y75-R79 PolarHBondContact O-N 2.92Å; E76-R79 WeakPolarHBondContact O-CA 3.28Å; E76-R79 WeakPolarHBondContact O-CB 3.48Å; E76-R79 PolarHBondContact O-N 2.94Å; E76-R79 VanDerWaalsContact OE2-CD 3.28Å; E76-R79 WeakPolarHBondContact OE2-CD 3.35Å; E76-R79 IonicContact OE2-NH1 3.66Å; E77-R79 VanDerWaalsContact C-N 3.29Å; E77-R79 PolarHBondContact O-N 2.97Å; R79-R82 CarbonylContact O-C 3.54Å; R79-R82 PolarHBondContact O-N 3.12Å; R79-R82 VanDerWaalsContact O-N 3.14Å; R79-R83 WeakPolarHBondContact O-CB 3.45Å; R79-R83 WeakPolarHBondContact O-CG 3.31Å; R79-R83 PolarHBondContact O-N 3.24Å
80	Q	58.1	Low	55.5	Low	112 Å²	112	127.5 Å²	127.5	52%	0.523	61%	0.611	S	S	.	*	H	α-helix	trans	-65.7	-44.2	179.6	-67.3	174.3	21	0	0	111.2	E76 E77 R82 R83	E76-Q80 WeakPolarHBondContact O-CG 3.23Å; E76-Q80 PolarHBondContact O-N 3.2Å; E76-Q80 PolarHBondContact OE1-NE2 3.04Å; E77-Q80 PolarHBondContact O-N 2.93Å; Q80-R82 PolarHBondContact O-N 3.45Å; Q80-R82 VanDerWaalsContact O-N 3.12Å; Q80-R83 PolarHBondContact O-N 3.36Å
81	V	56.7	Low	54.4	Low	115 Å²	115	134.1 Å²	134.1	70%	0.697	63%	0.629	S	S	*	*	H	α-helix	trans	-62.3	-17.1	173.4	173.2	0	0	0	0	113.5	E77	E77-V81 WeakPolarHBondContact O-CG2 3.18Å; E77-V81 PolarHBondContact O-N 3.42Å
82	R	52.4	Low	53.6	Low	222 Å²	222	139.1 Å²	139.1	84%	0.838	65%	0.648	S	S	*	*	H	α-helix	trans	-112	-5.7	177.3	-78.8	-171.9	162.1	-160.1	-6.5	115.5	R79 Q80	R79-R82 CarbonylContact O-C 3.54Å; R79-R82 PolarHBondContact O-N 3.12Å; R79-R82 VanDerWaalsContact O-N 3.14Å; Q80-R82 PolarHBondContact O-N 3.45Å; Q80-R82 VanDerWaalsContact O-N 3.12Å
83	R	50.4	Low	52.6	Low	204 Å²	204	138.2 Å²	138.2	77%	0.77	64%	0.644	S	S	*	*	H	α-helix	trans	-97.6	-6.9	178.1	-81.2	-172.8	165	-144.4	-5.1	114.2	R79 Q80	R79-R83 WeakPolarHBondContact O-CB 3.45Å; R79-R83 WeakPolarHBondContact O-CG 3.31Å; R79-R83 PolarHBondContact O-N 3.24Å; Q80-R83 PolarHBondContact O-N 3.36Å
84	F	43.7	Very low	51.5	Low	148 Å²	148	136.7 Å²	136.7	65%	0.649	65%	0.651	S	S	*	*			trans	-117.4	114.9	164.9	-67.3	-79.4	0	0	0	109.7
85	P	51.9	Low	50.4	Low	93 Å²	93	142 Å²	142	60%	0.604	68%	0.675	S	S	*	*			trans	-58.5	153.5	149.3	29.9	-34.3	0	0	0	108.2	N87	P85-N87 PolarHBondContact O-N 2.78Å
86	P	46.3	Very low	49.9	Very low	118 Å²	118	145 Å²	145	77%	0.766	69%	0.691	S	S	*	*			trans	-60.1	105.1	170.4	26.2	-33	0	0	0	107.8	Q88	P86-Q88 VanDerWaalsContact C-N 3.35Å; P86-Q88 PolarHBondContact O-N 2.91Å
87	N	45.1	Very low	48.6	Very low	108 Å²	108	146.8 Å²	146.8	58%	0.578	71%	0.711	S	S	*	*			trans	-70.8	94.4	-174.1	-123.1	-26.2	0	0	0	107.6	P85 R89	P85-N87 PolarHBondContact O-N 2.78Å; N87-R89 PolarHBondContact O-N 3.44Å
88	Q	47.2	Very low	48.1	Very low	191 Å²	191	148.1 Å²	148.1	89%	0.893	72%	0.721	S	S	*	*			trans	-68.6	32.6	166.4	-66.4	-173.8	-8.2	0	0	111.8	P86 G90	P86-Q88 VanDerWaalsContact C-N 3.35Å; P86-Q88 PolarHBondContact O-N 2.91Å; Q88-G90 PolarHBondContact O-N 3.41Å
89	R	43.2	Very low	47.9	Very low	196 Å²	196	147.8 Å²	147.8	74%	0.74	74%	0.735	S	S	*	*			trans	-67.3	91.5	154.8	-81.9	-172.1	162.8	-160.4	-5.3	107	N87 F91	N87-R89 PolarHBondContact O-N 3.44Å; R89-F91 PolarHBondContact O-N 2.97Å
90	G	38.8	Very low	47.4	Very low	69 Å²	69	145.5 Å²	145.5	71%	0.711	74%	0.743	S	S	*	*			trans	-51.7	116	159.7	0	0	0	0	0	108.1	Q88 R92	Q88-G90 PolarHBondContact O-N 3.41Å; G90-R92 PolarHBondContact O-N 2.93Å
91	F	40.9	Very low	46.8	Very low	196 Å²	196	146.2 Å²	146.2	86%	0.86	76%	0.757	S	S	*	*			trans	-72.5	79	-179	-118.1	-93.6	0	0	0	109	R89 G93	R89-F91 PolarHBondContact O-N 2.97Å; F91-G93 PolarHBondContact O-N 3.12Å
92	R	47.7	Very low	46.1	Very low	254 Å²	254	144.4 Å²	144.4	96%	0.958	76%	0.762	S	S	*	*			trans	-66.4	84.1	153.2	-75.9	-170.3	173.6	-140.3	-0.2	106.4	G90	G90-R92 PolarHBondContact O-N 2.93Å
93	G	42.8	Very low	45.6	Very low	41 Å²	41	141.3 Å²	141.3	42%	0.423	76%	0.762	S	S	.	*			trans	-74.1	163.3	-173	0	0	0	0	0	112.9	F91 E95	F91-G93 PolarHBondContact O-N 3.12Å; G93-E95 PolarHBondContact O-N 3.46Å
94	P	48.1	Very low	45.3	Very low	129 Å²	129	143 Å²	143	84%	0.838	77%	0.771	S	S	*	*			trans	-87.3	49	166.7	37.8	-34.3	0	0	0	110.6	K96	P94-K96 PolarHBondContact O-N 2.94Å
95	E	45.6	Very low	45.3	Very low	187 Å²	187	139.1 Å²	139.1	87%	0.874	77%	0.772	S	S	*	*			trans	-74.7	93.4	173.5	-78.2	-153.3	119	0	0	110.6	G93 S97	G93-E95 PolarHBondContact O-N 3.46Å; E95-S97 PolarHBondContact O-N 2.9Å; E95-S97 VanDerWaalsContact O-N 3.11Å
96	K	49.3	Very low	45	Very low	183 Å²	183	142.5 Å²	142.5	80%	0.796	79%	0.785	S	S	*	*			trans	17.6	83.8	141.8	-61.6	177.8	-178.5	176.2	0	115.5	P94 I98	P94-K96 PolarHBondContact O-N 2.94Å; K96-I98 PolarHBondContact O-N 3.41Å
97	S	36.9	Very low	44.9	Very low	115 Å²	115	140.8 Å²	140.8	80%	0.804	78%	0.781	S	S	*	*			trans	21.2	79.1	137.8	60	0	0	0	0	116.9	E95	E95-S97 PolarHBondContact O-N 2.9Å; E95-S97 VanDerWaalsContact O-N 3.11Å
98	I	49.7	Very low	44.8	Very low	147 Å²	147	147 Å²	147	75%	0.754	80%	0.796	S	S	*	*			trans	-105.8	104	158.7	-59.5	178.5	0	0	0	107	K96 S100	K96-I98 PolarHBondContact O-N 3.41Å; I98-S100 PolarHBondContact O-N 3.12Å
99	P	51.7	Low	44.7	Very low	118 Å²	118	149 Å²	149	77%	0.766	80%	0.795	S	S	*	*			trans	-78.4	84.2	177.4	31.7	-33.4	0	0	0	110.3
100	S	49	Very low	44.9	Very low	110 Å²	110	146.1 Å²	146.1	77%	0.769	79%	0.793	S	S	*	*			trans	-59.9	123.1	167.5	-66.3	0	0	0	0	109.6	I98	I98-S100 PolarHBondContact O-N 3.12Å
101	P	46.4	Very low	45	Very low	126 Å²	126	153.1 Å²	153.1	82%	0.818	80%	0.798	S	S	*	*			trans	-84.8	148.5	-165.6	32.2	-36.1	0	0	0	113.6
102	G	40.8	Very low	45.3	Very low	78 Å²	78	150 Å²	150	80%	0.804	80%	0.795	S	S	*	*			trans	89.4	86.9	150.7	0	0	0	0	0	117.5
103	N	42.6	Very low	44.8	Very low	156 Å²	156	141.3 Å²	141.3	83%	0.834	79%	0.785	S	S	*	*				-154.5	76.5	129.9	-154.2	1.4	0	0	0	112.4
104	Y	43.3	Very low	44.5	Very low	241 Å²	241	144.9 Å²	144.9	95%	0.945	80%	0.804	S	S	*	*			trans	-133.3	108.7	165.9	-88.8	-76	0	0	0	108.6
105	G	44.1	Very low	44	Very low	66 Å²	66	143.9 Å²	143.9	68%	0.68	80%	0.8	S	S	*	*			trans	-151.8	45.9	-165.9	0	0	0	0	0	114.4
106	D	45.1	Very low	43.6	Very low	164 Å²	164	140.1 Å²	140.1	88%	0.877	79%	0.794	S	S	*	*			trans	-173.2	154	159.4	-105.5	-12.9	0	0	0	109.9
107	A	45.3	Very low	43.3	Very low	81 Å²	81	136.8 Å²	136.8	67%	0.669	79%	0.793	S	S	*	*			cis	-154.7	146.5	-23.3	0	0	0	0	0	110.5	R109	A107-R109 PolarHBondContact O-N 2.79Å
108	R	42.1	Very low	43.4	Very low	238 Å²	238	135.5 Å²	135.5	90%	0.898	80%	0.798	S	S	*	*			trans	-47.8	117.5	174.1	-68.8	164.4	-90.1	-162.6	-8.4	114.9
109	R	44.2	Very low	43	Very low	233 Å²	233	132.4 Å²	132.4	88%	0.879	80%	0.803	S	S	*	*			trans	-122.2	123	132.5	-79.4	-168	168.3	-153.8	-3.2	107.1	A107	A107-R109 PolarHBondContact O-N 2.79Å
110	I	47.7	Very low	42.5	Very low	136 Å²	136	139.3 Å²	139.3	70%	0.697	81%	0.813	S	S	*	*				64.3	119.2	69.6	-62.5	170.9	0	0	0	109.7
111	R	42.1	Very low	42.2	Very low	217 Å²	217	137.6 Å²	137.6	82%	0.819	81%	0.813	S	S	*	*			cis	-165	157.4	-8	-121.1	-177.2	-176.5	161.6	-2.4	107.8
112	T	45.9	Very low	42.1	Very low	129 Å²	129	142.4 Å²	142.4	79%	0.791	82%	0.817	S	S	*	*			trans	31.1	134.4	149.2	57.6	0	0	0	0	122.3
113	G	38.2	Very low	42.3	Very low	72 Å²	72	150 Å²	150	74%	0.742	82%	0.821	S	S	*	*			trans	101.7	117.8	160.7	0	0	0	0	0	112.4
114	S	36.6	Very low	42.4	Very low	117 Å²	117	148.8 Å²	148.8	82%	0.818	82%	0.815	S	S	*	*			cis	91.6	101.4	38.6	-60.2	0	0	0	0	114.3
115	S	36.5	Very low	42.7	Very low	108 Å²	108	145.3 Å²	145.3	76%	0.755	81%	0.812	S	S	*	*			trans	80.4	134.4	139.8	-53.6	0	0	0	0	122.3
116	S	38.7	Very low	42.6	Very low	108 Å²	108	145.4 Å²	145.4	76%	0.755	81%	0.814	S	S	*	*			trans	77.6	134.5	138.8	47.8	0	0	0	0	123.4
117	S	42.8	Very low	42.5	Very low	112 Å²	112	149 Å²	149	78%	0.783	82%	0.815	S	S	*	*			trans	61.6	97.4	142.9	59.3	0	0	0	0	121.9
118	G	39.6	Very low	42.5	Very low	88 Å²	88	150.5 Å²	150.5	91%	0.907	81%	0.812	S	S	*	*				89.5	149.6	98.2	0	0	0	0	0	120
119	G	40.7	Very low	42.5	Very low	82 Å²	82	147.5 Å²	147.5	85%	0.845	80%	0.8	S	S	*	*			trans	139.2	133.8	169.6	0	0	0	0	0	114.6
120	R	40.7	Very low	42.5	Very low	263 Å²	263	146.3 Å²	146.3	99%	0.992	80%	0.796	S	S	*	*			trans	-135.4	151.3	167.3	-77.3	-168.7	179.3	-152.8	2.4	109.2
121	G	43.5	Very low	42.4	Very low	74 Å²	74	145 Å²	145	76%	0.763	80%	0.799	S	S	*	*			trans	-152.7	138.7	174.3	0	0	0	0	0	113.3
122	Y	43.6	Very low	42.6	Very low	227 Å²	227	141.9 Å²	141.9	89%	0.89	80%	0.797	S	S	*	*			trans	-70.4	171.7	178.3	-66.9	-101.8	0	0	0	111.7
123	R	44.2	Very low	42.3	Very low	237 Å²	237	140.8 Å²	140.8	89%	0.894	79%	0.786	S	S	*	*				-173.5	176.9	51.4	-144.5	171.5	-136.7	-161.7	4	113.8
124	D	46.2	Very low	42.4	Very low	132 Å²	132	146.9 Å²	146.9	71%	0.706	79%	0.787	S	S	*	*			trans	-77.6	168.6	-170.5	-42.2	-106.3	0	0	0	117.3
125	N	48.6	Very low	42.8	Very low	167 Å²	167	152.8 Å²	152.8	89%	0.893	79%	0.791	S	S	*	*			trans	-173.9	150.3	133.4	-100.1	-37.3	0	0	0	116.3
126	G	43	Very low	43.2	Very low	69 Å²	69	152.4 Å²	152.4	71%	0.711	79%	0.788	S	S	*	*			trans	46.6	112.8	157.2	0	0	0	0	0	120.4
127	R	42	Very low	43.5	Very low	238 Å²	238	154.9 Å²	154.9	90%	0.898	79%	0.792	S	S	*	*				60.1	142.4	54.8	-73.9	-165.1	-179.8	-179.8	2.6	117.3
128	D	45.1	Very low	43.5	Very low	113 Å²	113	154.9 Å²	154.9	60%	0.604	78%	0.784	S	S	*	*			trans	75.7	148.6	163.6	-64.7	-22.3	0	0	0	117.8
129	R	42.7	Very low	43.7	Very low	175 Å²	175	160 Å²	160	66%	0.66	78%	0.775	S	S	*	*			cis	-168.3	160.8	-15.7	-115.6	172.9	-133.4	177.9	21.4	111.1
130	R	44.5	Very low	43.9	Very low	209 Å²	209	166.9 Å²	166.9	79%	0.789	78%	0.776	S	S	*	*			trans	77.1	162.4	154.5	-65.7	151.8	179.9	164	-4.3	119.5
131	S	44.7	Very low	43.7	Very low	109 Å²	109	160 Å²	160	76%	0.762	77%	0.768	S	S	*	*			trans	54.6	116.5	-176.4	48.7	0	0	0	0	116.2
132	I	46.3	Very low	43.7	Very low	150 Å²	150	164.3 Å²	164.3	77%	0.769	77%	0.77	S	S	*	*			cis	56	95.8	12.4	-50.4	173.4	0	0	0	112.3
133	D	39.9	Very low	43.6	Very low	106 Å²	106	161.5 Å²	161.5	57%	0.567	77%	0.771	S	S	*	*				-173.9	163.4	86.5	-132.8	-30.6	0	0	0	115.6
134	R	40.1	Very low	43.4	Very low	201 Å²	201	161.7 Å²	161.7	76%	0.758	77%	0.771	S	S	*	*			trans	34.2	108.1	151.2	-76.3	164.7	-107.6	-169.8	1.5	120.3
135	R	45.5	Very low	43.3	Very low	240 Å²	240	166 Å²	166	91%	0.906	78%	0.778	S	S	*	*				-172	138.3	99.1	-100.3	159.5	-178.2	151.3	1.3	114.9
136	S	45.8	Very low	42.7	Very low	100 Å²	100	163.7 Å²	163.7	70%	0.699	78%	0.775	S	S	*	*			trans	9.4	117.1	160.9	51.1	0	0	0	0	118.8
137	L	45.1	Very low	42.9	Very low	161 Å²	161	165.6 Å²	165.6	84%	0.843	77%	0.773	S	S	*	*				59.9	140.2	67.3	-73.8	165.2	0	0	0	115.2
138	D	42.7	Very low	42.7	Very low	112 Å²	112	160 Å²	160	60%	0.599	76%	0.761	S	S	*	*			trans	88.7	127.6	171.6	-65.2	-20.8	0	0	0	118.5
139	R	43.7	Very low	42.4	Very low	194 Å²	194	164.9 Å²	164.9	73%	0.732	77%	0.771	S	S	*	*			cis	-158.1	157.2	-10.1	-136.9	170.1	-105	-175.4	4.1	111.6
140	R	45.1	Very low	42.4	Very low	228 Å²	228	167.9 Å²	167.9	86%	0.86	78%	0.782	S	S	*	*			trans	70.1	69.9	163.3	-61.4	176.5	177	151.4	-1.3	118.5
141	S	35.6	Very low	42.1	Very low	117 Å²	117	162.1 Å²	162.1	82%	0.818	77%	0.773	S	S	*	*			trans	-98.8	103	131.6	164.9	0	0	0	0	108.6
142	M	42.6	Very low	41.8	Very low	166 Å²	166	162.5 Å²	162.5	82%	0.818	77%	0.771	S	S	*	*			trans	-160.4	107.4	162.7	-88.3	-52.8	165.9	0	0	109.8
143	D	41.7	Very low	41.2	Very low	168 Å²	168	162 Å²	162	90%	0.898	77%	0.766	S	S	*	*			trans	-165.1	66.2	139.1	-104.3	-28.1	0	0	0	110.5
144	R	39.9	Very low	41.2	Very low	240 Å²	240	165.5 Å²	165.5	91%	0.906	77%	0.771	S	S	*	*			trans	-115.3	99.1	163.3	-76	-174.9	177.5	-179.7	0.2	108.1
145	R	44	Very low	41.2	Very low	222 Å²	222	166.1 Å²	166.1	84%	0.838	77%	0.774	S	S	*	*			trans	-142.8	60.4	172.6	-123.1	172.9	-167.6	161.6	4.4	114.3	T147	R145-T147 HydrophobicContact CG-CG2 4.48Å; R145-T147 PolarHBondContact O-N 3.2Å
146	S	36.4	Very low	40.9	Very low	120 Å²	120	160 Å²	160	84%	0.839	77%	0.767	S	S	*	*			trans	-71	93.4	154	53.2	0	0	0	0	109.6
147	T	47.2	Very low	40.5	Very low	109 Å²	109	161.2 Å²	161.2	67%	0.669	77%	0.77	S	S	*	*			trans	-135.6	94.9	169.4	50	0	0	0	0	107.8	R145	R145-T147 HydrophobicContact CG-CG2 4.48Å; R145-T147 PolarHBondContact O-N 3.2Å
148	D	38.8	Very low	40.2	Very low	119 Å²	119	159.1 Å²	159.1	64%	0.636	77%	0.769	S	S	*	*				86.6	123.7	72	-150.5	-8	0	0	0	113.3
149	R	38.4	Very low	39.9	Very low	217 Å²	217	164.4 Å²	164.4	82%	0.819	78%	0.781	S	S	*	*			trans	-2.1	107.9	169	-59.9	160.7	-172.1	108	-12.1	118.3
150	R	43.1	Very low	39.7	Very low	238 Å²	238	160.6 Å²	160.6	90%	0.898	78%	0.784	S	S	*	*			trans	-165.2	145.1	142.4	-105.8	169.3	177.6	148.8	-0.5	109.4
151	S	38	Very low	39.3	Very low	87 Å²	87	160.9 Å²	160.9	61%	0.608	79%	0.785	S	S	*	*			cis	-171.3	150.2	-24.7	42	0	0	0	0	108.7
152	T	37.8	Very low	39.2	Very low	117 Å²	117	160 Å²	160	72%	0.718	78%	0.779	S	S	*	*			trans	36.9	107.1	148.7	57.5	0	0	0	0	118.7
153	E	34.5	Very low	38.9	Very low	140 Å²	140	161.4 Å²	161.4	65%	0.654	78%	0.781	S	S	*	*				104.2	163.9	80.4	-165.6	-173.9	-103.6	0	0	110.7
154	R	39.4	Very low	38.8	Very low	179 Å²	179	160.1 Å²	160.1	68%	0.675	78%	0.779	S	S	*	*			trans	80	109.1	163.1	-50.1	-173.7	-175.7	-131.8	-22.5	118.9
155	R	39.4	Very low	38.5	Very low	215 Å²	215	152.3 Å²	152.3	81%	0.811	77%	0.774	S	S	*	*			trans	75.2	148.5	137.7	-63.1	172.9	175.8	149.5	-4.5	117.7
156	S	39.9	Very low	37.9	Very low	110 Å²	110	147.3 Å²	147.3	77%	0.769	77%	0.773	S	S	*	*			cis	-156.5	154.6	-16.9	-109.1	0	0	0	0	112.8
157	V	37.3	Very low	37.8	Very low	126 Å²	126	146.5 Å²	146.5	76%	0.764	77%	0.767	S	S	*	*			trans	-60.9	126.5	168.9	173.8	0	0	0	0	112.1	R159	V157-R159 HydrophobicContact CG1-CB 4.16Å
158	S	39.7	Very low	37.4	Very low	118 Å²	118	145.8 Å²	145.8	83%	0.825	77%	0.766	S	S	*	*			trans	-158.3	117.3	154.9	-81.5	0	0	0	0	106.6
159	R	35.2	Very low	37.4	Very low	222 Å²	222	150.9 Å²	150.9	84%	0.838	78%	0.777	S	S	*	*			cis	70.8	74	20	-161.9	-174.7	175.7	125.3	-3.2	115.7	V157	V157-R159 HydrophobicContact CG1-CB 4.16Å
160	S	39.8	Very low	37.3	Very low	115 Å²	115	146 Å²	146	80%	0.804	78%	0.776	S	S	*	*			trans	-165.7	126.5	134.1	-85.6	0	0	0	0	106.6
161	R	36.6	Very low	37.1	Very low	233 Å²	233	139.5 Å²	139.5	88%	0.879	77%	0.773	S	S	*	*				64.2	107.7	52.1	-104.7	-169.6	-179.6	-161.5	-0.7	114.8
162	S	34.1	Very low	37	Very low	100 Å²	100	140.6 Å²	140.6	70%	0.699	78%	0.781	S	S	*	*			trans	73.4	133.5	133.7	62.8	0	0	0	0	122.8
163	F	36.7	Very low	37	Very low	194 Å²	194	142.2 Å²	142.2	85%	0.851	79%	0.785	S	S	*	*			trans	93.9	148.5	133.8	-110.2	-117.6	0	0	0	120.9
164	T	37.9	Very low	37.2	Very low	141 Å²	141	140.7 Å²	140.7	87%	0.865	79%	0.79	S	S	*	*			trans	59.9	167.2	172.9	75.6	0	0	0	0	118
165	G	34.3	Very low	37.3	Very low	76 Å²	76	135.6 Å²	135.6	78%	0.784	79%	0.793	S	S	*	*			trans	138.1	36.4	176.2	0	0	0	0	0	117.5
166	S	32.3	Very low	37.3	Very low	117 Å²	117	135.1 Å²	135.1	82%	0.818	79%	0.791	S	S	*	*			trans	-69.8	151.3	-179.7	-49.4	0	0	0	0	114.2
167	S	33.6	Very low	37.5	Very low	104 Å²	104	134.8 Å²	134.8	73%	0.727	79%	0.789	S	S	*	*			trans	70.5	136.4	158.3	-157.1	0	0	0	0	115.5
168	S	38.3	Very low	37.8	Very low	93 Å²	93	138 Å²	138	65%	0.65	79%	0.787	S	S	*	*			cis	-166.7	149.4	49.6	-60.1	0	0	0	0	114.5
169	R	38	Very low	38.1	Very low	227 Å²	227	136 Å²	136	86%	0.857	77%	0.774	S	S	*	*			trans	38.7	127.6	134.9	-55.5	169.2	175.8	-175.3	-4	119.8
170	S	37.2	Very low	38.4	Very low	114 Å²	114	136.1 Å²	136.1	80%	0.797	77%	0.774	S	S	*	*				170.6	168.5	101.5	-74.9	0	0	0	0	114.6
171	A	39.3	Very low	38.6	Very low	102 Å²	102	135.6 Å²	135.6	84%	0.843	77%	0.77	S	S	*	*			trans	71	77.8	155.3	0	0	0	0	0	119.6
172	S	34.9	Very low	39.2	Very low	110 Å²	110	130.7 Å²	130.7	77%	0.769	77%	0.766	S	S	*	*			trans	-69.8	148.2	156.9	46.2	0	0	0	0	114.8
173	N	39.2	Very low	39.6	Very low	150 Å²	150	131.1 Å²	131.1	80%	0.802	77%	0.769	S	S	*	*			trans	-168.3	122.3	142.6	-104	-30.8	0	0	0	108.7
174	S	38.7	Very low	39.9	Very low	109 Å²	109	132.6 Å²	132.6	76%	0.762	77%	0.769	S	S	*	*				73.6	138.8	79.6	81.9	0	0	0	0	113.5
175	G	41.5	Very low	39.9	Very low	72 Å²	72	130.9 Å²	130.9	74%	0.742	76%	0.758	S	S	*	*			cis	-144.1	172.8	-2.7	0	0	0	0	0	110.9
176	R	39	Very low	40.1	Very low	205 Å²	205	136.5 Å²	136.5	77%	0.774	76%	0.756	S	S	*	*			cis	101.1	95.4	46.2	-174.7	-151.3	-170.4	-160.5	8.6	112.8
177	S	44.4	Very low	40.3	Very low	102 Å²	102	139.2 Å²	139.2	71%	0.713	76%	0.755	S	S	*	*			trans	-175	124.6	138.5	-85.6	0	0	0	0	109.7
178	R	43.3	Very low	40.7	Very low	194 Å²	194	139.3 Å²	139.3	73%	0.732	76%	0.756	S	S	*	*				81.5	139.4	65.9	-74.6	172.4	122.3	-170.9	-0.2	111.6
179	S	45.6	Very low	41.3	Very low	77 Å²	77	143.1 Å²	143.1	54%	0.538	77%	0.768	S	S	.	*			cis	-164.3	156.2	23.1	-130.4	0	0	0	0	115
180	R	42.4	Very low	41.9	Very low	223 Å²	223	137.5 Å²	137.5	84%	0.842	76%	0.761	S	S	*	*			trans	68	150.4	148.9	-70.5	165.8	168.6	155.8	-7	117.9
181	S	43.6	Very low	42.2	Very low	105 Å²	105	137.1 Å²	137.1	73%	0.734	76%	0.759	S	S	*	*			cis	-131.6	139.3	4.7	-72.6	0	0	0	0	109.4
182	V	48.1	Very low	42.7	Very low	129 Å²	129	139.2 Å²	139.2	78%	0.782	76%	0.755	S	S	*	*				62.2	115.6	67	179	0	0	0	0	110.8
183	S	42.8	Very low	43.2	Very low	109 Å²	109	139.6 Å²	139.6	76%	0.762	76%	0.755	S	S	*	*			cis	-152.6	-159.4	8.7	-139.1	0	0	0	0	110
184	R	43.9	Very low	43.4	Very low	225 Å²	225	135.6 Å²	135.6	85%	0.849	75%	0.749	S	S	*	*			cis	-146.6	-110.3	12.4	-150.8	-178	178.6	159.4	1.8	115.1
185	T	36.6	Very low	43.7	Very low	105 Å²	105	138 Å²	138	64%	0.644	75%	0.754	S	S	*	*			trans	-165.2	162.3	-163.3	48.6	0	0	0	0	107.9
186	R	38.9	Very low	43.8	Very low	195 Å²	195	138.8 Å²	138.8	74%	0.736	75%	0.748	S	S	*	*			cis	-170	165.7	0.4	-116.5	168.9	179	-143.4	11.3	108.1
187	H	37.7	Very low	44.4	Very low	173 Å²	173	136 Å²	136	80%	0.801	75%	0.745	S	S	*	*			trans	37.6	128.4	157.2	-43.2	-54.8	0	0	0	119.1
188	S	41.9	Very low	44.2	Very low	106 Å²	106	139.4 Å²	139.4	74%	0.741	75%	0.75	S	S	*	*				-179.8	127.7	62.2	52.5	0	0	0	0	115
189	L	49.4	Very low	44.3	Very low	173 Å²	173	133.7 Å²	133.7	91%	0.906	74%	0.744	S	S	*	*			trans	61.2	162.6	151	-62	178.4	0	0	0	121.6
190	P	51.6	Low	44.2	Very low	110 Å²	110	134.3 Å²	134.3	71%	0.714	75%	0.749	S	S	*	*			trans	-130.4	-150.4	-161.8	45	-26.3	0	0	0	114.3
191	S	43.4	Very low	44.3	Very low	106 Å²	106	132.3 Å²	132.3	74%	0.741	75%	0.749	S	S	*	*			trans	83.7	147.6	175.3	-43.4	0	0	0	0	114.5
192	N	50.6	Low	44.4	Very low	145 Å²	145	131.7 Å²	131.7	78%	0.775	74%	0.744	S	S	*	*			cis	-154.8	154.9	-3.9	-131.9	17.3	0	0	0	110.6
193	P	44.9	Very low	44.3	Very low	118 Å²	118	133.8 Å²	133.8	77%	0.766	75%	0.746	S	S	*	*			trans	-78.2	157.9	155	34.9	-32.5	0	0	0	110.4
194	G	43.9	Very low	44.3	Very low	66 Å²	66	136.8 Å²	136.8	68%	0.68	75%	0.745	S	S	*	*			trans	-138.4	149	-173.6	0	0	0	0	0	115.3
195	D	44.4	Very low	44.4	Very low	160 Å²	160	132.4 Å²	132.4	86%	0.856	74%	0.739	S	S	*	*			trans	69.9	138.7	157.2	-57.8	-34.5	0	0	0	122.1
196	S	42.6	Very low	44.5	Very low	88 Å²	88	130.4 Å²	130.4	62%	0.615	74%	0.738	S	S	*	*			cis	-170.1	179.3	-26.2	48.2	0	0	0	0	110.4
197	M	51.5	Low	44.4	Very low	147 Å²	147	130.3 Å²	130.3	72%	0.724	75%	0.746	S	S	*	*			trans	76.7	101.5	166.8	-47.4	-49.8	-83.8	0	0	116.8
198	H	42	Very low	44.4	Very low	173 Å²	173	125.1 Å²	125.1	80%	0.801	73%	0.733	S	S	*	*				83.5	136.5	83.4	-93.7	-100.7	0	0	0	113
199	A	43.9	Very low	44.2	Very low	75 Å²	75	130.3 Å²	130.3	62%	0.62	74%	0.738	S	S	*	*			cis	-160.3	179.6	-1.7	0	0	0	0	0	111.6
200	S	45	Very low	43.9	Very low	90 Å²	90	127 Å²	127	63%	0.629	72%	0.721	S	S	*	*			trans	67	109.1	157.1	-64.4	0	0	0	0	117.9
201	E	43.8	Very low	43.3	Very low	181 Å²	181	129 Å²	129	85%	0.846	73%	0.726	S	S	*	*				86.5	138.6	79.9	-75.3	155.8	152.3	0	0	112.4
202	S	45.6	Very low	42.9	Very low	91 Å²	91	132.9 Å²	132.9	64%	0.636	72%	0.724	S	S	*	*			cis	-143.8	159.4	5.1	60.8	0	0	0	0	113.3
203	E	46.2	Very low	42.2	Very low	174 Å²	174	137 Å²	137	81%	0.813	73%	0.729	S	S	*	*			trans	39.6	143.3	132.1	-57	167.5	148.9	0	0	120.4
204	F	43.2	Very low	41.7	Very low	171 Å²	171	135.9 Å²	135.9	75%	0.75	73%	0.73	S	S	*	*			cis	-164	144.7	33.8	-172.2	-118.5	0	0	0	111.9
205	N	44.5	Very low	41.4	Very low	134 Å²	134	136.8 Å²	136.8	72%	0.717	73%	0.726	S	S	*	*			trans	29.4	142.1	160.1	-66	-5	0	0	0	122.9
206	G	39.2	Very low	40.9	Very low	62 Å²	62	139.1 Å²	139.1	64%	0.639	72%	0.723	S	S	*	*			cis	159.1	145.7	-2.6	0	0	0	0	0	114.4
207	H	37.8	Very low	40.5	Very low	193 Å²	193	142.1 Å²	142.1	89%	0.894	73%	0.732	S	S	*	*			trans	-9.2	158.6	155.5	-58	-79.2	0	0	0	119.9
208	A	36.3	Very low	40.1	Very low	64 Å²	64	142.9 Å²	142.9	53%	0.529	74%	0.738	S	S	.	*			cis	177	-165	-14.4	0	0	0	0	0	106.3
209	Y	39.5	Very low	39.7	Very low	216 Å²	216	138.9 Å²	138.9	85%	0.847	73%	0.729	S	S	*	*			trans	70.3	156.5	170.7	-47.5	-78.5	0	0	0	115.7
210	D	41.2	Very low	39.5	Very low	102 Å²	102	146.1 Å²	146.1	55%	0.545	74%	0.741	S	S	.	*			cis	-140.8	151.1	-10.9	-152.6	1	0	0	0	111	R212	D210-R212 VanDerWaalsContact CG-CD 3.41Å; D210-R212 PolarHBondContact O-N 2.94Å; D210-R212 WeakPolarHBondContact OD1-CD 3.46Å; D210-R212 IonicContact OD1-CZ 3.31Å; D210-R212 IonicContact OD1-NE 2.67Å; D210-R212 IonicContact OD1-NH1 3.03Å; D210-R212 PolarHBondContact OD1-NH1 3.42Å; D210-R212 WeakPolarHBondContact OD2-CD 3.46Å; D210-R212 IonicContact OD2-CZ 3.77Å; D210-R212 IonicContact OD2-NE 3.17Å; D210-R212 IonicContact OD2-NH1 2.75Å; D210-R212 PolarHBondContact OD2-NH1 2.85Å
211	D	39.4	Very low	39.1	Very low	154 Å²	154	151.6 Å²	151.6	82%	0.824	75%	0.748	S	S	*	*			trans	-99.9	80.7	180	-155.4	-6.8	0	0	0	109.9
212	R	35.5	Very low	38.9	Very low	187 Å²	187	148 Å²	148	71%	0.706	74%	0.742	S	S	*	*			trans	-152.2	140.7	-178.7	-88.1	108.9	-170.8	-146.2	3	116.4	D210	D210-R212 VanDerWaalsContact CG-CD 3.41Å; D210-R212 PolarHBondContact O-N 2.94Å; D210-R212 WeakPolarHBondContact OD1-CD 3.46Å; D210-R212 IonicContact OD1-CZ 3.31Å; D210-R212 IonicContact OD1-NE 2.67Å; D210-R212 IonicContact OD1-NH1 3.03Å; D210-R212 PolarHBondContact OD1-NH1 3.42Å; D210-R212 WeakPolarHBondContact OD2-CD 3.46Å; D210-R212 IonicContact OD2-CZ 3.77Å; D210-R212 IonicContact OD2-NE 3.17Å; D210-R212 IonicContact OD2-NH1 2.75Å; D210-R212 PolarHBondContact OD2-NH1 2.85Å
213	R	36.8	Very low	38.6	Very low	230 Å²	230	150.1 Å²	150.1	87%	0.868	74%	0.742	S	S	*	*			trans	57.8	112.6	150.1	-64.9	175.3	172.3	-156.7	-2.1	116.6
214	A	34	Very low	38.2	Very low	95 Å²	95	148.9 Å²	148.9	79%	0.785	74%	0.741	S	S	*	*				56.3	82.5	53.5	0	0	0	0	0	114.8
215	S	36.5	Very low	37.9	Very low	86 Å²	86	144 Å²	144	60%	0.601	74%	0.738	S	S	*	*			trans	-152.3	123.5	150.8	-87.8	0	0	0	0	109
216	R	33.6	Very low	37.5	Very low	208 Å²	208	143.3 Å²	143.3	79%	0.785	75%	0.745	S	S	*	*				63.8	103.4	98.5	-63.8	175.9	-172.1	120	-9.3	111.5
217	N	34.7	Very low	37.3	Very low	151 Å²	151	145.7 Å²	145.7	81%	0.807	75%	0.751	S	S	*	*				73.3	117.8	88.4	-70.3	-14.7	0	0	0	113.1
218	L	43.1	Very low	36.9	Very low	164 Å²	164	141.2 Å²	141.2	86%	0.859	74%	0.742	S	S	*	*			trans	175	122.4	133.6	-88.3	155.9	0	0	0	105.4
219	S	33.2	Very low	36.6	Very low	88 Å²	88	143.7 Å²	143.7	62%	0.615	76%	0.755	S	S	*	*				63.9	126.1	82.2	-155.6	0	0	0	0	111.2
220	R	41.4	Very low	36.2	Very low	228 Å²	228	138.3 Å²	138.3	86%	0.86	75%	0.749	S	S	*	*			cis	-141.6	159.6	33.8	-64.4	160.5	-167.7	-162.2	-0.5	109.8
221	R	35.5	Very low	35.8	Very low	205 Å²	205	144.6 Å²	144.6	77%	0.774	77%	0.765	S	S	*	*			cis	86	82.4	24	-162.2	-166.1	-165.4	-87.1	6.5	115.7
222	S	40.5	Very low	35.3	Very low	105 Å²	105	142.3 Å²	142.3	73%	0.734	76%	0.762	S	S	*	*			trans	-156.6	125.7	157.4	36.4	0	0	0	0	108.2
223	H	38.8	Very low	35.3	Very low	135 Å²	135	137.7 Å²	137.7	63%	0.625	76%	0.758	S	S	*	*				66.3	131	80	-67.7	-68.6	0	0	0	112.1
224	D	38	Very low	35.3	Very low	148 Å²	148	133.5 Å²	133.5	79%	0.791	75%	0.748	S	S	*	*			cis	-156.9	177.3	-5.8	-93.2	-32.7	0	0	0	107.6
225	G	37.1	Very low	35.5	Very low	68 Å²	68	132.9 Å²	132.9	70%	0.701	75%	0.751	S	S	*	*			cis	-175.4	174.9	1.1	0	0	0	0	0	111.3
226	S	35.5	Very low	35.6	Very low	121 Å²	121	138.2 Å²	138.2	85%	0.846	76%	0.758	S	S	*	*			trans	-90.9	138.8	-173.9	-57.3	0	0	0	0	114.2
227	S	35.2	Very low	35.8	Very low	112 Å²	112	137.4 Å²	137.4	78%	0.783	76%	0.76	S	S	*	*			trans	-169.6	133.9	143.3	-84.7	0	0	0	0	109.2
228	S	30.2	Very low	36.3	Very low	99 Å²	99	142.2 Å²	142.2	69%	0.692	77%	0.767	S	S	*	*			cis	86.7	139.6	28	97.2	0	0	0	0	114.8
229	S	30.1	Very low	36.1	Very low	116 Å²	116	143.7 Å²	143.7	81%	0.811	77%	0.77	S	S	*	*			trans	67.5	163.4	-172.1	87.7	0	0	0	0	115.3
230	S	30.5	Very low	36.5	Very low	103 Å²	103	143.5 Å²	143.5	72%	0.72	78%	0.782	S	S	*	*			cis	178.2	170.5	-34.6	-90.1	0	0	0	0	107.2
231	R	32.1	Very low	36.4	Very low	233 Å²	233	137.8 Å²	137.8	88%	0.879	78%	0.777	S	S	*	*			trans	71.3	133.8	173.5	-64.8	170.6	154.6	163	-8.6	113.2
232	S	29.8	Very low	36.7	Very low	107 Å²	107	132.9 Å²	132.9	75%	0.748	77%	0.774	S	S	*	*				65.4	134	52.8	81.3	0	0	0	0	113.1
233	S	34.4	Very low	36.8	Very low	90 Å²	90	136.4 Å²	136.4	63%	0.629	78%	0.776	S	S	*	*			cis	-149.6	-177.5	21.9	60.7	0	0	0	0	114.3
234	E	37.5	Very low	36.9	Very low	141 Å²	141	141 Å²	141	66%	0.659	79%	0.788	S	S	*	*			trans	57.6	110.3	151.1	-73.1	164.7	92.2	0	0	122.2	R236	E234-R236 IonicContact OE1-CZ 3.66Å; E234-R236 IonicContact OE1-NE 2.68Å; E234-R236 IonicContact OE1-NH2 3.43Å; E234-R236 PolarHBondContact OE1-NH2 2.94Å
235	G	37.8	Very low	36.8	Very low	83 Å²	83	145.7 Å²	145.7	86%	0.856	79%	0.794	S	S	*	*			trans	-137.2	88.8	161.6	0	0	0	0	0	111
236	R	39.1	Very low	37	Very low	197 Å²	197	148.4 Å²	148.4	74%	0.743	80%	0.803	S	S	*	*			trans	-70.3	132.1	-157.1	-65	173.1	179.2	-179.5	0.1	115.9	E234	E234-R236 IonicContact OE1-CZ 3.66Å; E234-R236 IonicContact OE1-NE 2.68Å; E234-R236 IonicContact OE1-NH2 3.43Å; E234-R236 PolarHBondContact OE1-NH2 2.94Å
237	K	38.1	Very low	37.1	Very low	191 Å²	191	147.5 Å²	147.5	83%	0.83	80%	0.797	S	S	*	*			trans	42.4	127.5	135.7	-57.1	177.7	-179.6	-179.9	0	119.3
238	R	44.4	Very low	37.4	Very low	253 Å²	253	149.4 Å²	149.4	96%	0.955	80%	0.798	S	S	*	*				-160.8	145.2	107.5	-105.9	161.7	-169.6	-121	0.6	112.6
239	Q	38.1	Very low	37.8	Very low	194 Å²	194	155.1 Å²	155.1	91%	0.907	80%	0.804	S	S	*	*			trans	-91.7	158.2	172.9	-68.2	175.7	-24.9	0	0	110.2
240	G	41.8	Very low	38.4	Very low	85 Å²	85	156.5 Å²	156.5	88%	0.876	80%	0.803	S	S	*	*			trans	-152.1	80.7	171.1	0	0	0	0	0	111.2
241	S	39.1	Very low	38.5	Very low	107 Å²	107	157.4 Å²	157.4	75%	0.748	80%	0.799	S	S	*	*			trans	-97	131.3	-174.7	60.4	0	0	0	0	113
242	S	43.3	Very low	38.9	Very low	103 Å²	103	153.2 Å²	153.2	72%	0.72	79%	0.79	S	S	*	*			trans	-173.4	148.4	157.4	-90.1	0	0	0	0	111.1
243	K	41.3	Very low	39.1	Very low	178 Å²	178	155.6 Å²	155.6	77%	0.774	79%	0.789	S	S	*	*			cis	-168	160.2	-20.1	-124.8	169.8	-170.1	167	0	107.2
244	R	42.3	Very low	39.1	Very low	232 Å²	232	160.2 Å²	160.2	88%	0.875	79%	0.794	S	S	*	*			trans	66.9	113.1	172.4	-60.7	168.1	173.9	169.3	-4.1	113.7
245	R	34.8	Very low	39.3	Very low	246 Å²	246	160.5 Å²	160.5	93%	0.928	80%	0.8	S	S	*	*			cis	69	88.7	16.7	-158.4	-161.5	-162.3	-159.2	8.9	114.8
246	S	40.7	Very low	39.4	Very low	126 Å²	126	163.7 Å²	163.7	88%	0.881	79%	0.793	S	S	*	*			trans	-154.2	145.3	144	48	0	0	0	0	109.8
247	S	39	Very low	39.3	Very low	102 Å²	102	159.4 Å²	159.4	71%	0.713	79%	0.793	S	S	*	*			trans	-137.8	135.5	-178.2	55.5	0	0	0	0	109.2
248	N	41.5	Very low	39.3	Very low	151 Å²	151	154.4 Å²	154.4	81%	0.807	79%	0.787	S	S	*	*			trans	-160.4	132.8	160.6	-90.8	-19.4	0	0	0	105.2
249	R	37.4	Very low	39.2	Very low	219 Å²	219	149.2 Å²	149.2	83%	0.826	78%	0.779	S	S	*	*			cis	66.7	138.4	34.5	-62.2	-168.6	174.4	-177.9	-1.1	113.7
250	N	43.2	Very low	39.2	Very low	145 Å²	145	148.1 Å²	148.1	78%	0.775	77%	0.773	S	S	*	*			trans	73	140.8	177.9	-45.9	-0.9	0	0	0	113.2
251	N	33.7	Very low	39.2	Very low	122 Å²	122	151 Å²	151	65%	0.652	77%	0.769	S	S	*	*			cis	-160.1	-178.9	-23.2	-132.1	17.9	0	0	0	110
252	E	38.6	Very low	39.2	Very low	146 Å²	146	150.6 Å²	150.6	68%	0.682	77%	0.766	S	S	*	*			trans	29.8	116.5	154.4	-72.1	123.9	-169.5	0	0	119.7
253	Q	34.5	Very low	38.8	Very low	157 Å²	157	151.2 Å²	151.2	73%	0.734	77%	0.77	S	S	*	*				63	105.1	72.1	-174.3	-175.5	-7.2	0	0	113.4
254	Y	33.9	Very low	38.8	Very low	187 Å²	187	148.5 Å²	148.5	73%	0.733	77%	0.77	S	S	*	*				-161.2	154.6	113.1	-120.8	-89.2	0	0	0	111.4
255	D	41.8	Very low	38.4	Very low	147 Å²	147	143.9 Å²	143.9	79%	0.786	76%	0.763	S	S	*	*			trans	-116.8	-158.6	178.8	-166.2	-6.7	0	0	0	108.2
256	Q	41	Very low	38.6	Very low	150 Å²	150	141.5 Å²	141.5	70%	0.701	76%	0.756	S	S	*	*			trans	85.9	145	175.5	-53.5	175.7	3.2	0	0	114.6
257	S	36.7	Very low	38.4	Very low	106 Å²	106	144 Å²	144	74%	0.741	75%	0.753	S	S	*	*			cis	-158.5	130.7	-4.1	34.1	0	0	0	0	108.1
258	A	38.9	Very low	38.4	Very low	86 Å²	86	144.7 Å²	144.7	71%	0.711	75%	0.753	S	S	*	*				102.2	-170	85.1	0	0	0	0	0	111.8
259	D	40.8	Very low	38.1	Very low	145 Å²	145	148.3 Å²	148.3	78%	0.775	76%	0.756	S	S	*	*			trans	72	86.1	-177.8	-55.6	2	0	0	0	114
260	E	38.6	Very low	38.1	Very low	171 Å²	171	147.9 Å²	147.9	80%	0.799	75%	0.754	S	S	*	*				65.1	104.1	75.3	-63	-166.2	173.9	0	0	114.4
261	N	43	Very low	37.8	Very low	146 Å²	146	148.9 Å²	148.9	78%	0.781	76%	0.76	S	S	*	*				-168.3	138.4	112.9	-112.2	-78.9	0	0	0	115.5
262	S	39.1	Very low	38.3	Very low	97 Å²	97	149.3 Å²	149.3	68%	0.678	76%	0.757	S	S	*	*			trans	41.5	105.5	144.4	-58.8	0	0	0	0	121.5
263	S	33.5	Very low	38.1	Very low	117 Å²	117	153.6 Å²	153.6	82%	0.818	77%	0.767	S	S	*	*			trans	36.7	140.2	132.9	-62.4	0	0	0	0	123.3
264	P	40.9	Very low	38.3	Very low	120 Å²	120	151.9 Å²	151.9	78%	0.779	77%	0.767	S	S	*	*			trans	-80.7	158.2	165.9	36.7	-34.8	0	0	0	111.7
265	D	35.7	Very low	38.4	Very low	135 Å²	135	148.4 Å²	148.4	72%	0.722	77%	0.771	S	S	*	*			trans	-157.4	159.7	149.5	-127.6	-12.8	0	0	0	117.9
266	Y	37.2	Very low	38.1	Very low	197 Å²	197	152.3 Å²	152.3	77%	0.773	77%	0.774	S	S	*	*			trans	27.4	117.6	168.8	-70	-66.5	0	0	0	123.9
267	Q	37	Very low	37.8	Very low	178 Å²	178	150.8 Å²	150.8	83%	0.832	78%	0.78	S	S	*	*			trans	-55.1	146.9	138.4	-52	170.2	-1.3	0	0	111.1
268	T	39.1	Very low	38.3	Very low	116 Å²	116	151.8 Å²	151.8	71%	0.712	78%	0.784	S	S	*	*			trans	-177.8	127	132.7	-88.7	0	0	0	0	113.9
269	R	35.8	Very low	38.3	Very low	227 Å²	227	152.8 Å²	152.8	86%	0.857	79%	0.786	S	S	*	*			trans	30.5	127.8	152.1	-53.7	167.2	-162	-174	3	119.4
270	R	37.8	Very low	38.2	Very low	211 Å²	211	152 Å²	152	80%	0.796	79%	0.786	S	S	*	*				-154.1	99.7	110.1	-121.1	172.8	-176	174.8	4	114.5	Q272	R270-Q272 HydrophobicContact CG-CG 4.28Å; R270-Q272 PolarHBondContact O-N 2.83Å
271	N	37.1	Very low	38.2	Very low	166 Å²	166	149.7 Å²	149.7	89%	0.888	79%	0.789	S	S	*	*			trans	-73.5	105.6	152.5	-74.1	-11.2	0	0	0	108
272	Q	42.9	Very low	38	Very low	130 Å²	130	150.4 Å²	150.4	61%	0.607	79%	0.787	S	S	*	*			trans	-104.4	115.4	155.5	-66.8	-176.7	-11.7	0	0	105.8	R270	R270-Q272 HydrophobicContact CG-CG 4.28Å; R270-Q272 PolarHBondContact O-N 2.83Å
273	R	35.1	Very low	38.2	Very low	236 Å²	236	157.8 Å²	157.8	89%	0.891	80%	0.8	S	S	*	*				49.3	63.7	80.7	-70.7	-169.4	174.3	-108.6	3.2	112.1
274	V	38.6	Very low	38.4	Very low	121 Å²	121	158.8 Å²	158.8	73%	0.733	80%	0.797	S	S	*	*			trans	-102.5	95.1	155.8	-178.6	0	0	0	0	107.6	R276	V274-R276 HydrophobicContact CG1-CB 4.42Å; V274-R276 PolarHBondContact O-N 3.34Å
275	S	35	Very low	38.7	Very low	115 Å²	115	161 Å²	161	80%	0.804	80%	0.801	S	S	*	*			trans	-64.5	123.1	166.9	-49.7	0	0	0	0	108.3
276	R	36.5	Very low	38.9	Very low	228 Å²	228	158 Å²	158	86%	0.86	79%	0.794	S	S	*	*			trans	-148.7	66.8	178.1	-137.9	174.7	-172.3	-168.6	0.6	113.6	V274 P278	V274-R276 HydrophobicContact CG1-CB 4.42Å; V274-R276 PolarHBondContact O-N 3.34Å; R276-P278 WeakPolarHBondContact O-CD 3.32Å
277	S	33.9	Very low	39	Very low	118 Å²	118	159.1 Å²	159.1	83%	0.825	80%	0.799	S	S	*	*			trans	-78.3	117.3	158.3	-52.3	0	0	0	0	108.5	S279	S277-S279 PolarHBondContact O-N 2.91Å
278	P	47.6	Very low	39	Very low	128 Å²	128	155.6 Å²	155.6	83%	0.831	79%	0.794	S	S	*	*			trans	-79.7	110.1	168.9	30.8	-29.4	0	0	0	109.2	R276	R276-P278 WeakPolarHBondContact O-CD 3.32Å
279	S	38.9	Very low	39.2	Very low	106 Å²	106	158.3 Å²	158.3	74%	0.741	80%	0.804	S	S	*	*			trans	-72.1	138.3	170.1	49.8	0	0	0	0	111.2	S277	S277-S279 PolarHBondContact O-N 2.91Å
280	V	38.5	Very low	39.7	Very low	129 Å²	129	151.9 Å²	151.9	78%	0.782	80%	0.8	S	S	*	*			trans	30.5	113.9	149.7	-166.9	0	0	0	0	117.6	E282	V280-E282 HydrophobicContact CG1-CG 4.28Å
281	S	39.2	Very low	40.2	Very low	122 Å²	122	147.7 Å²	147.7	85%	0.853	80%	0.8	S	S	*	*			trans	-138.1	131.1	146.3	49.5	0	0	0	0	109.9
282	E	38.5	Very low	40.3	Very low	161 Å²	161	144.4 Å²	144.4	75%	0.752	80%	0.796	S	S	*	*			trans	-87.8	123	-169	-60.6	163.7	123	0	0	112	V280	V280-E282 HydrophobicContact CG1-CG 4.28Å
283	R	43	Very low	41.1	Very low	252 Å²	252	144.1 Å²	144.1	95%	0.951	81%	0.805	S	S	*	*			trans	-105.1	86.9	159.5	57.7	166.8	136.9	109.2	-5.8	113.7	L285	R283-L285 PolarHBondContact O-N 3.25Å
284	N	38.7	Very low	41.4	Very low	138 Å²	138	139.7 Å²	139.7	74%	0.738	80%	0.799	S	S	*	*			trans	-62.3	128.8	172.9	-69.5	-57.9	0	0	0	112.3
285	L	45.9	Very low	41.7	Very low	168 Å²	168	139.8 Å²	139.8	88%	0.88	80%	0.802	S	S	*	*			trans	179.3	72	164.2	-99.4	157	0	0	0	105.8	R283	R283-L285 PolarHBondContact O-N 3.25Å
286	A	40.8	Very low	42.1	Very low	70 Å²	70	142.3 Å²	142.3	58%	0.579	80%	0.801	S	S	*	*				67.3	123.4	71.8	0	0	0	0	0	112.8
287	Y	38.9	Very low	42.3	Very low	221 Å²	221	139.7 Å²	139.7	87%	0.867	81%	0.805	S	S	*	*			trans	69.2	129.6	-178.8	-54.6	-76.6	0	0	0	115.1
288	S	37.3	Very low	42.4	Very low	104 Å²	104	137.7 Å²	137.7	73%	0.727	80%	0.802	S	S	*	*			cis	-146.3	151.2	0.3	-80.8	0	0	0	0	112.3
289	N	42.5	Very low	41.8	Very low	173 Å²	173	137.4 Å²	137.4	93%	0.925	80%	0.803	S	S	*	*			trans	-76.1	133.6	160.7	-68.2	-45.7	0	0	0	109.8
290	A	46.4	Very low	41.9	Very low	92 Å²	92	137.5 Å²	137.5	76%	0.76	80%	0.804	S	S	*	*			trans	-151.9	134	162.5	0	0	0	0	0	109.6
291	P	48.3	Very low	42	Very low	124 Å²	124	139.7 Å²	139.7	81%	0.805	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-80.1	163.3	178.6	33.9	-35.5	0	0	0	112.1
292	A	39.5	Very low	41.7	Very low	97 Å²	97	137.7 Å²	137.7	80%	0.802	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-74	131.2	170.6	0	0	0	0	0	110.9
293	P	59.1	Low	41.7	Very low	123 Å²	123	139.6 Å²	139.6	80%	0.799	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-77.9	148.1	171.9	31.8	-33.7	0	0	0	111.8
294	N	41.4	Very low	41.5	Very low	144 Å²	144	136.8 Å²	136.8	77%	0.77	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-76.9	158.2	172.5	-98.4	-13.4	0	0	0	111.9
295	P	45.9	Very low	41.3	Very low	123 Å²	123	138.5 Å²	138.5	80%	0.799	82%	0.816	S	S	*	*			trans	-89.7	98.3	168	34.5	-29.5	0	0	0	111.1
296	E	43.2	Very low	40.6	Very low	168 Å²	168	135 Å²	135	79%	0.785	81%	0.811	S	S	*	*			trans	-129.9	171.1	163.7	-65.3	-168.9	141	0	0	109.2
297	D	41.4	Very low	40.5	Very low	173 Å²	173	137.6 Å²	137.6	93%	0.925	83%	0.825	S	S	*	*			trans	64.7	141.2	-168.8	-56.7	-33.1	0	0	0	116.5
298	G	36.3	Very low	40.5	Very low	75 Å²	75	133 Å²	133	77%	0.773	82%	0.821	S	S	*	*			cis	-168.8	146.1	-2.9	0	0	0	0	0	113.5
299	S	34.6	Very low	40.5	Very low	123 Å²	123	138 Å²	138	86%	0.86	82%	0.823	S	S	*	*			trans	-52.2	139.8	-173	-51.2	0	0	0	0	118.7
300	S	40.9	Very low	40.3	Very low	107 Å²	107	135.7 Å²	135.7	75%	0.748	81%	0.811	S	S	*	*			trans	-154.4	102.8	133.6	51.6	0	0	0	0	109
301	L	39.8	Very low	39.9	Very low	176 Å²	176	135 Å²	135	92%	0.921	81%	0.812	S	S	*	*				72.4	118.2	92.4	-71.8	169.2	0	0	0	113.4
302	G	33.3	Very low	39.3	Very low	80 Å²	80	133.3 Å²	133.3	83%	0.825	80%	0.804	S	S	*	*			trans	154.8	40.6	-178.7	0	0	0	0	0	115.8
303	F	38.1	Very low	39.5	Very low	200 Å²	200	138.1 Å²	138.1	88%	0.877	81%	0.807	S	S	*	*			trans	-104.9	116.4	169.9	-110	-81.3	0	0	0	108.9
304	E	38.6	Very low	38.5	Very low	194 Å²	194	137.9 Å²	137.9	91%	0.907	81%	0.808	S	S	*	*			trans	-93.2	145	155	-75.7	-164.4	132.1	0	0	109.5
305	Q	35.8	Very low	38.3	Very low	173 Å²	173	142 Å²	142	81%	0.808	81%	0.813	S	S	*	*			trans	-118.3	154	174.5	-72.9	-171.5	-3.4	0	0	110.4
306	A	31.6	Very low	37.9	Very low	94 Å²	94	148 Å²	148	78%	0.777	82%	0.82	S	S	*	*			trans	59.6	108	155.3	0	0	0	0	0	118.3
307	S	37.9	Very low	37.8	Very low	125 Å²	125	146.8 Å²	146.8	87%	0.874	82%	0.824	S	S	*	*				-125.9	131.4	120.7	62.6	0	0	0	0	109.6
308	V	39.7	Very low	38	Very low	126 Å²	126	149.3 Å²	149.3	76%	0.764	82%	0.821	S	S	*	*			trans	-96.3	139.8	171	-179.4	0	0	0	0	106.7
309	R	35.9	Very low	38.6	Very low	207 Å²	207	155.1 Å²	155.1	78%	0.781	83%	0.827	S	S	*	*			trans	159.5	139.3	132.8	-86.1	174.7	78.7	159.4	10.4	115
310	D	37.8	Very low	38.8	Very low	126 Å²	126	154.2 Å²	154.2	67%	0.674	82%	0.821	S	S	*	*			trans	58.9	143.1	136.7	-48.5	-14.3	0	0	0	122.7
311	G	38.4	Very low	39	Very low	76 Å²	76	153 Å²	153	78%	0.784	81%	0.813	S	S	*	*			trans	89.5	93.4	170.3	0	0	0	0	0	114.9
312	S	36.3	Very low	39.2	Very low	90 Å²	90	152 Å²	152	63%	0.629	80%	0.803	S	S	*	*			cis	87.5	129.2	28.5	-156.1	0	0	0	0	116
313	F	43.2	Very low	39.5	Very low	198 Å²	198	154.8 Å²	154.8	87%	0.868	80%	0.799	S	S	*	*			trans	67.6	152.9	179.7	-46.1	-67.8	0	0	0	115.8
314	S	37.5	Very low	39.6	Very low	118 Å²	118	150.1 Å²	150.1	83%	0.825	79%	0.792	S	S	*	*			cis	-137.9	167.1	7.3	-161.3	0	0	0	0	113.6
315	R	38	Very low	39.9	Very low	231 Å²	231	146 Å²	146	87%	0.872	78%	0.784	S	S	*	*			trans	-100	153.5	-174.6	-53.3	177	-177.2	-174.7	0.7	112.1
316	R	36.9	Very low	40.2	Very low	247 Å²	247	143.3 Å²	143.3	93%	0.932	79%	0.785	S	S	*	*			trans	-171.3	91.6	136.1	-106.7	165	-168.9	-174.3	5.2	113.8
317	T	42.8	Very low	40.5	Very low	144 Å²	144	142.7 Å²	142.7	88%	0.883	79%	0.787	S	S	*	*			trans	-102.1	134.7	148.9	29.2	0	0	0	0	108.2
318	R	44.3	Very low	40.5	Very low	225 Å²	225	140.9 Å²	140.9	85%	0.849	78%	0.78	S	S	*	*			trans	-101.8	104	179.8	-82.7	-178.9	166.6	176.5	-4.4	110.5
319	H	49.2	Very low	40.5	Very low	197 Å²	197	140.5 Å²	140.5	91%	0.912	78%	0.782	S	S	*	*			trans	-155	99.6	152.1	-75	-59.7	0	0	0	108.3
320	S	39.2	Very low	40.9	Very low	105 Å²	105	137.1 Å²	137.1	73%	0.734	79%	0.785	S	S	*	*			trans	-86	139.5	172.2	-28.2	0	0	0	0	109.2
321	S	44	Very low	41.1	Very low	82 Å²	82	135.1 Å²	135.1	57%	0.573	79%	0.786	S	S	*	*				58.6	146.3	99.8	77.9	0	0	0	0	114.7
322	E	44.2	Very low	41.2	Very low	154 Å²	154	136.9 Å²	136.9	72%	0.72	79%	0.786	S	S	*	*			cis	-113.2	152.5	14.7	-84.6	89.2	-113.7	0	0	113
323	N	40.6	Very low	41.6	Very low	138 Å²	138	136.4 Å²	136.4	74%	0.738	78%	0.783	S	S	*	*				66.4	138.4	66.1	-48.5	-13.5	0	0	0	112.9
324	S	39.8	Very low	41.6	Very low	103 Å²	103	134.7 Å²	134.7	72%	0.72	78%	0.783	S	S	*	*			cis	-151.1	168	19.6	-58.4	0	0	0	0	113.6
325	S	44.2	Very low	41.7	Very low	108 Å²	108	132.4 Å²	132.4	76%	0.755	78%	0.777	S	S	*	*			trans	43.1	144.2	138.4	60.4	0	0	0	0	123
326	S	43	Very low	41.8	Very low	116 Å²	116	126 Å²	126	81%	0.811	77%	0.774	S	S	*	*			cis	-178.5	141.6	-7.5	47.9	0	0	0	0	112.5
327	G	38.3	Very low	42	Very low	80 Å²	80	124 Å²	124	83%	0.825	77%	0.772	S	S	*	*			trans	76.4	168	157.6	0	0	0	0	0	118.1
328	A	38.2	Very low	41.9	Very low	88 Å²	88	123.2 Å²	123.2	73%	0.727	76%	0.763	S	S	*	*			cis	-166.4	140.1	-20.8	0	0	0	0	0	111.4
329	S	39.1	Very low	41.7	Very low	117 Å²	117	117.3 Å²	117.3	82%	0.818	76%	0.756	S	S	*	*			trans	61.4	165.2	169.7	62.5	0	0	0	0	116.6
330	V	44.8	Very low	41.9	Very low	136 Å²	136	113.5 Å²	113.5	82%	0.824	75%	0.749	S	S	*	*			cis	-142.7	173.8	15.1	-140.6	0	0	0	0	112.4
331	A	41.3	Very low	41.9	Very low	85 Å²	85	118.7 Å²	118.7	70%	0.702	75%	0.753	S	S	*	*			trans	-19.7	165.3	154.7	0	0	0	0	0	119.1
332	S	41	Very low	41.8	Very low	112 Å²	112	121.2 Å²	121.2	78%	0.783	76%	0.759	S	S	*	*			cis	-172.9	-178.9	6.6	-115.8	0	0	0	0	108.5
333	S	45	Very low	41.7	Very low	80 Å²	80	125.2 Å²	125.2	56%	0.559	77%	0.768	S	S	*	*			cis	-175.1	164.7	-19	49.1	0	0	0	0	110
334	N	42.2	Very low	41.6	Very low	163 Å²	163	124.3 Å²	124.3	87%	0.872	77%	0.772	S	S	*	*			trans	71.4	152.9	166.6	-43.4	-34.4	0	0	0	116
335	G	39.5	Very low	41.7	Very low	69 Å²	69	122.8 Å²	122.8	71%	0.711	77%	0.773	S	S	*	*			cis	-160	142	-10.6	0	0	0	0	0	108.3
336	A	39.3	Very low	41.6	Very low	98 Å²	98	128.8 Å²	128.8	81%	0.81	78%	0.779	S	S	*	*				72.7	101.7	75.8	0	0	0	0	0	114.8
337	F	41.7	Very low	41.5	Very low	203 Å²	203	131.2 Å²	131.2	89%	0.89	78%	0.775	S	S	*	*			trans	-161.7	165.1	148.5	-125.1	-82.6	0	0	0	111.4
338	D	41.7	Very low	41.6	Very low	129 Å²	129	137.5 Å²	137.5	69%	0.69	77%	0.774	S	S	*	*			trans	-88.4	136.4	-151	-69.6	-78.4	0	0	0	120.2
339	S	40	Very low	41.9	Very low	100 Å²	100	138.3 Å²	138.3	70%	0.699	77%	0.77	S	S	*	*				18	162.8	104.9	-65.6	0	0	0	0	121.2
340	P	52.5	Low	41.7	Very low	118 Å²	118	141.3 Å²	141.3	77%	0.766	77%	0.77	S	S	*	*			cis	-139.9	-158.7	-37.6	39.9	-21.3	0	0	0	111.8
341	R	39.8	Very low	41.3	Very low	214 Å²	214	139.6 Å²	139.6	81%	0.808	76%	0.764	S	S	*	*				145.3	108.7	119.1	-166	171.4	-161.3	-165.8	5.8	116.8
342	N	41.6	Very low	41.4	Very low	134 Å²	134	143.7 Å²	143.7	72%	0.717	77%	0.773	S	S	*	*			trans	67.9	152.1	153.1	-59.9	-8.5	0	0	0	118.4
343	R	41.3	Very low	41.2	Very low	238 Å²	238	143.6 Å²	143.6	90%	0.898	77%	0.772	S	S	*	*			cis	-130.1	164.7	12.6	-75.8	-177.9	165.2	131.4	-3.7	113.8
344	S	40.5	Very low	41	Very low	119 Å²	119	145.5 Å²	145.5	83%	0.832	78%	0.783	S	S	*	*			trans	-47.3	159.9	171.3	51.1	0	0	0	0	117.6
345	G	40.4	Very low	41.3	Very low	72 Å²	72	143.7 Å²	143.7	74%	0.742	78%	0.78	S	S	*	*			cis	159.3	-174.4	-2.6	0	0	0	0	0	114.9
346	R	42.5	Very low	41.2	Very low	234 Å²	234	151.4 Å²	151.4	88%	0.883	79%	0.789	S	S	*	*			trans	71.2	119.6	178.2	-78.4	-172.5	171.7	-159.8	0.1	119.7
347	K	41.5	Very low	41.2	Very low	166 Å²	166	154.3 Å²	154.3	72%	0.722	79%	0.791	S	S	*	*				33.8	143.3	125.2	-56	179.8	-177.7	-178.7	0	119.6
348	R	40.4	Very low	41	Very low	212 Å²	212	152.3 Å²	152.3	80%	0.8	79%	0.79	S	S	*	*			cis	-168	174.3	-4	-114.5	-178	-167	174.1	2	109.7
349	V	43.2	Very low	41.3	Very low	105 Å²	105	152.6 Å²	152.6	64%	0.636	80%	0.796	S	S	*	*			trans	-27.9	158	161.8	-67	0	0	0	0	118
350	H	35.6	Very low	41.4	Very low	180 Å²	180	159.1 Å²	159.1	83%	0.833	81%	0.805	S	S	*	*			cis	-158.9	-172.4	-0.7	-105.6	-26	0	0	0	110.4
351	S	35.7	Very low	40.7	Very low	100 Å²	100	161.4 Å²	161.4	70%	0.699	81%	0.811	S	S	*	*			trans	-85.4	154.3	-178.3	54.5	0	0	0	0	116.3
352	I	43.5	Very low	40.8	Very low	171 Å²	171	163 Å²	163	88%	0.877	82%	0.817	S	S	*	*			trans	178.3	162.6	135.7	-92.8	153.8	0	0	0	110.6
353	S	37.2	Very low	40.7	Very low	111 Å²	111	163.3 Å²	163.3	78%	0.776	82%	0.824	S	S	*	*			trans	-104.1	174.6	-169.6	-58.3	0	0	0	0	113.7
354	P	41.8	Very low	40.6	Very low	120 Å²	120	157.1 Å²	157.1	78%	0.779	82%	0.817	S	S	*	*			trans	-101.1	170.9	-148.4	40.1	-39.5	0	0	0	117.8
355	P	46.9	Very low	40.6	Very low	125 Å²	125	161.4 Å²	161.4	81%	0.812	82%	0.821	S	S	*	*			trans	-99.3	175	176.6	39.5	-35.5	0	0	0	115.6
356	Y	37.7	Very low	40.7	Very low	231 Å²	231	162.5 Å²	162.5	91%	0.906	82%	0.823	S	S	*	*			trans	-90.8	168	177.6	-104.4	-117.7	0	0	0	113.7
357	N	39.6	Very low	40.7	Very low	158 Å²	158	159.2 Å²	159.2	85%	0.845	82%	0.815	S	S	*	*			trans	-93.2	144.9	168.1	-85.4	-23.2	0	0	0	111.9
358	D	38.8	Very low	41	Very low	161 Å²	161	155.9 Å²	155.9	86%	0.861	82%	0.818	S	S	*	*			trans	-156.9	141.9	154.9	-146.3	-13.8	0	0	0	110.6
359	V	46.6	Very low	40.9	Very low	136 Å²	136	152.8 Å²	152.8	82%	0.824	81%	0.813	S	S	*	*			trans	-142.7	139.1	-174.8	-178.4	0	0	0	0	112.4
360	R	41.6	Very low	40.8	Very low	236 Å²	236	152.9 Å²	152.9	89%	0.891	83%	0.825	S	S	*	*			trans	-83.9	157.3	-163.7	-62.5	173.1	175.4	162.4	-3.6	115.9
361	N	39.1	Very low	40.9	Very low	166 Å²	166	149.2 Å²	149.2	89%	0.888	83%	0.826	S	S	*	*			trans	-56.1	160	165	-70.9	-27.6	0	0	0	113.8
362	R	41.4	Very low	41.2	Very low	247 Å²	247	150.2 Å²	150.2	93%	0.932	83%	0.832	S	S	*	*			trans	-135.6	146.7	168.4	-68.2	-178.5	174.8	-176.9	-2.3	110.6
363	T	38.9	Very low	40.9	Very low	142 Å²	142	150 Å²	150	87%	0.871	83%	0.833	S	S	*	*			trans	-142.9	137.6	175	44.9	0	0	0	0	110.4
364	S	39.9	Very low	41.1	Very low	107 Å²	107	150 Å²	150	75%	0.748	83%	0.834	S	S	*	*			trans	-172.7	137.5	173.6	61.7	0	0	0	0	115.2
365	K	39.9	Very low	41.3	Very low	210 Å²	210	152 Å²	152	91%	0.913	84%	0.838	S	S	*	*			trans	68.5	151.5	160.9	-60	175	-179.3	-177.1	0	116.6
366	A	44.2	Very low	41.2	Very low	95 Å²	95	153.6 Å²	153.6	79%	0.785	83%	0.834	S	S	*	*			cis	-141.4	154.2	-6.6	0	0	0	0	0	107.8
367	K	42.3	Very low	41.5	Very low	165 Å²	165	150.9 Å²	150.9	72%	0.717	83%	0.827	S	S	*	*				82.9	84.6	52.2	-150.4	-154.3	-175	-129.8	0	116.5	E369	K367-E369 WeakPolarHBondContact CE-OE1 3.26Å; K367-E369 WeakPolarHBondContact CE-OE2 3.43Å; K367-E369 IonicContact NZ-OE1 3.53Å; K367-E369 PolarHBondContact NZ-OE1 2.72Å; K367-E369 IonicContact NZ-OE2 2.74Å; K367-E369 PolarHBondContact NZ-OE2 3.18Å
368	A	46.4	Very low	41.8	Very low	95 Å²	95	150.6 Å²	150.6	79%	0.785	83%	0.826	S	S	*	*			trans	-156.6	143.2	147.3	0	0	0	0	0	107.7
369	E	39.1	Very low	42	Very low	147 Å²	147	151.1 Å²	151.1	69%	0.687	82%	0.823	S	S	*	*			cis	107.9	136.3	-0	-146.1	151.2	-128.2	0	0	114.7	K367	K367-E369 WeakPolarHBondContact CE-OE1 3.26Å; K367-E369 WeakPolarHBondContact CE-OE2 3.43Å; K367-E369 IonicContact NZ-OE1 3.53Å; K367-E369 PolarHBondContact NZ-OE1 2.72Å; K367-E369 IonicContact NZ-OE2 2.74Å; K367-E369 PolarHBondContact NZ-OE2 3.18Å
370	A	40.7	Very low	41.9	Very low	108 Å²	108	150.3 Å²	150.3	89%	0.893	82%	0.82	S	S	*	*			trans	83	151	-168.1	0	0	0	0	0	118.8
371	A	38.6	Very low	41.7	Very low	103 Å²	103	143.3 Å²	143.3	85%	0.851	81%	0.813	S	S	*	*			trans	-159.8	156.7	-172.3	0	0	0	0	0	114.1
372	S	40.8	Very low	42	Very low	120 Å²	120	142.1 Å²	142.1	84%	0.839	81%	0.811	S	S	*	*			trans	-169.8	159	160.8	51.9	0	0	0	0	111.7
373	N	37	Very low	42	Very low	166 Å²	166	139.2 Å²	139.2	89%	0.888	81%	0.808	S	S	*	*			trans	-112.1	139.2	-174.2	-46	-57.4	0	0	0	113.5
374	S	42.5	Very low	42.2	Very low	113 Å²	113	137.8 Å²	137.8	79%	0.79	80%	0.804	S	S	*	*			trans	179.4	114.5	147.2	53.2	0	0	0	0	107.4
375	D	45.2	Very low	42.3	Very low	162 Å²	162	141.6 Å²	141.6	87%	0.866	81%	0.81	S	S	*	*				85.7	155.9	66.2	-150.5	-3.2	0	0	0	112.8
376	E	44.7	Very low	42.6	Very low	157 Å²	157	141.3 Å²	141.3	73%	0.734	81%	0.809	S	S	*	*			trans	64.2	99.8	-174.1	-61.1	-144.3	100	0	0	119.4
377	K	44.6	Very low	42.4	Very low	175 Å²	175	148.6 Å²	148.6	76%	0.761	82%	0.816	S	S	*	*				52.2	155.3	116.7	-77.3	-179.1	-178.1	168	0	124.3
378	D	45	Very low	42.5	Very low	152 Å²	152	152.3 Å²	152.3	81%	0.813	83%	0.826	S	S	*	*			trans	77.6	119.5	158.1	-60.4	-11.4	0	0	0	121.2
379	Q	43.4	Very low	42.6	Very low	172 Å²	172	157.9 Å²	157.9	80%	0.804	83%	0.832	S	S	*	*			trans	-83.7	168.2	170.5	-80.1	-94.6	-10.8	0	0	109.8
380	P	44.3	Very low	42.6	Very low	118 Å²	118	157 Å²	157	77%	0.766	84%	0.837	S	S	*	*			cis	-137.2	-179.8	26.2	39.5	-19.2	0	0	0	117.4
381	A	37.6	Very low	42.9	Very low	89 Å²	89	163.1 Å²	163.1	74%	0.736	84%	0.837	S	S	*	*			trans	-65.7	150.3	-174.3	0	0	0	0	0	115.8
382	V	45.2	Very low	42.9	Very low	142 Å²	142	165.2 Å²	165.2	86%	0.861	83%	0.834	S	S	*	*			trans	-122.8	134.4	163.7	178.1	0	0	0	0	109.3
383	E	41.2	Very low	43.1	Very low	185 Å²	185	164 Å²	164	86%	0.864	83%	0.831	S	S	*	*			trans	-81.3	139.2	-167.1	-167.2	-179.4	157	0	0	114
384	S	43.3	Very low	43.3	Very low	113 Å²	113	164.7 Å²	164.7	79%	0.79	83%	0.829	S	S	*	*			trans	-91.5	110.4	-178.7	-74	0	0	0	0	113.9
385	Q	43	Very low	42.9	Very low	186 Å²	186	165 Å²	165	87%	0.869	83%	0.83	S	S	*	*			trans	-1.6	118.1	165.3	-60.1	-176	-1.2	0	0	118.5
386	K	46.9	Very low	42.9	Very low	204 Å²	204	163.3 Å²	163.3	89%	0.887	83%	0.828	S	S	*	*			trans	-131.8	94.6	167.7	-147.2	166.2	-167.8	167.1	0	112	R388	K386-R388 PolarHBondContact O-N 3.41Å; K386-R388 VanDerWaalsContact O-N 3.16Å
387	R	39.9	Very low	42.8	Very low	249 Å²	249	160.5 Å²	160.5	94%	0.94	83%	0.832	S	S	*	*			trans	-67.4	109.9	-179.4	-65.1	174.2	80.1	-164	10.3	111.1
388	R	43.2	Very low	42.6	Very low	242 Å²	242	159 Å²	159	91%	0.913	83%	0.832	S	S	*	*			trans	-126.6	135.8	165.2	-124.9	177.6	178.3	-179.5	-1.7	109.2	K386	K386-R388 PolarHBondContact O-N 3.41Å; K386-R388 VanDerWaalsContact O-N 3.16Å
389	K	49.4	Very low	42	Very low	213 Å²	213	158.6 Å²	158.6	93%	0.926	83%	0.83	S	S	*	*			trans	-113.9	112.1	-174.6	-168.8	173.8	-175	176.8	0	109.7
390	T	39	Very low	41.9	Very low	128 Å²	128	155.8 Å²	155.8	79%	0.785	83%	0.825	S	S	*	*			trans	-101.2	155.1	179.1	47.6	0	0	0	0	111.3
391	R	47.1	Very low	41.6	Very low	237 Å²	237	158.1 Å²	158.1	89%	0.894	83%	0.826	S	S	*	*			trans	-158.4	98.4	160.5	-173.3	170.2	155.7	151.9	-4.7	112.5
392	N	38.5	Very low	41.7	Very low	146 Å²	146	158.6 Å²	158.6	78%	0.781	82%	0.824	S	S	*	*			trans	30.1	113.9	148.3	-54.5	12.1	0	0	0	121
393	A	43.4	Very low	41.5	Very low	94 Å²	94	159.4 Å²	159.4	78%	0.777	82%	0.822	S	S	*	*				-151.3	104.6	128.6	0	0	0	0	0	106.5
394	H	42.4	Very low	41.4	Very low	182 Å²	182	156.2 Å²	156.2	84%	0.843	82%	0.82	S	S	*	*				71.1	115.7	100.7	-76	23.5	0	0	0	114.2
395	S	34.7	Very low	41.3	Very low	118 Å²	118	159.9 Å²	159.9	83%	0.825	83%	0.825	S	S	*	*			trans	-87.8	152.1	-170.8	-40	0	0	0	0	113.4
396	P	44.1	Very low	41.3	Very low	127 Å²	127	156.9 Å²	156.9	83%	0.825	82%	0.822	S	S	*	*			trans	-86.1	157.8	153.4	35.7	-31	0	0	0	111.1
397	A	43.3	Very low	41.5	Very low	99 Å²	99	153.2 Å²	153.2	82%	0.818	82%	0.819	S	S	*	*			trans	-116.4	161.2	171.3	0	0	0	0	0	111
398	N	39.8	Very low	41.4	Very low	142 Å²	142	150.1 Å²	150.1	76%	0.759	82%	0.815	S	S	*	*			trans	-70.2	147.7	-167.9	-58.5	-29	0	0	0	114.5
399	N	33.5	Very low	41.4	Very low	144 Å²	144	145.2 Å²	145.2	77%	0.77	81%	0.812	S	S	*	*			trans	53.9	155	141.1	-50.1	-12.4	0	0	0	118.4
400	T	40	Very low	40.8	Very low	113 Å²	113	145.4 Å²	145.4	69%	0.693	81%	0.807	S	S	*	*			cis	-154.4	165.1	26.5	-41.7	0	0	0	0	110.6
401	E	38.4	Very low	40.9	Very low	167 Å²	167	143.8 Å²	143.8	78%	0.78	80%	0.801	S	S	*	*			trans	57.9	109.1	152.7	-90.9	165.1	136.9	0	0	123
402	S	39.8	Very low	40.6	Very low	100 Å²	100	141.9 Å²	141.9	70%	0.699	80%	0.799	S	S	*	*				97.7	131.5	116.6	80.7	0	0	0	0	122
403	L	41.5	Very low	41	Very low	158 Å²	158	141.2 Å²	141.2	83%	0.827	80%	0.8	S	S	*	*			trans	57.2	94.4	140.1	-64	167.5	0	0	0	120.8
404	S	39.1	Very low	41	Very low	118 Å²	118	145.5 Å²	145.5	83%	0.825	80%	0.804	S	S	*	*				163.6	152.4	98.8	-71.2	0	0	0	0	113.7
405	E	40.9	Very low	40.7	Very low	190 Å²	190	148.4 Å²	148.4	89%	0.888	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-84	152.1	-178.9	-64.6	-177.3	111.8	0	0	114.3
406	P	42	Very low	41.4	Very low	123 Å²	123	149.3 Å²	149.3	80%	0.799	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-94.3	139.3	173.6	35.7	-32.6	0	0	0	113.6
407	P	52.9	Low	41.2	Very low	127 Å²	127	148.2 Å²	148.2	83%	0.825	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-85.9	133.8	172.2	32.3	-32.5	0	0	0	113.2
408	H	37.3	Very low	41.3	Very low	185 Å²	185	150.6 Å²	150.6	86%	0.856	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-69.9	147	168.7	-78.5	-57.2	0	0	0	113
409	T	42.6	Very low	41.4	Very low	138 Å²	138	152.1 Å²	152.1	85%	0.847	80%	0.804	S	S	*	*			trans	166.6	164.1	139.4	35.6	0	0	0	0	110.3
410	R	37.6	Very low	41.7	Very low	218 Å²	218	155.3 Å²	155.3	82%	0.823	81%	0.811	S	S	*	*			cis	-168.9	152.4	-32.1	176.1	-177.1	162.8	-177.9	-5.3	108.9
411	S	40.5	Very low	41.9	Very low	94 Å²	94	156.7 Å²	156.7	66%	0.657	82%	0.82	S	S	*	*			trans	57.3	113.1	160.3	50	0	0	0	0	121.3
412	K	41.7	Very low	41.8	Very low	197 Å²	197	153.9 Å²	153.9	86%	0.857	82%	0.819	S	S	*	*				10.4	127	123.4	-55.6	172.4	-178.1	175	0	116.8
413	T	45	Very low	41.8	Very low	132 Å²	132	160 Å²	160	81%	0.81	83%	0.827	S	S	*	*				170.1	125.6	108.6	-70.1	0	0	0	0	111
414	Q	45	Very low	41.8	Very low	184 Å²	184	157.8 Å²	157.8	86%	0.86	82%	0.82	S	S	*	*				-177.9	148.6	127.2	-99.9	177.1	19	0	0	111.1
415	R	36.1	Very low	41.8	Very low	243 Å²	243	159.7 Å²	159.7	92%	0.917	82%	0.815	S	S	*	*			trans	-105.4	123.9	169.2	-81.5	165.5	52	-162.5	-3.9	108.1
416	T	47.6	Very low	41.8	Very low	137 Å²	137	158.6 Å²	158.6	84%	0.84	82%	0.816	S	S	*	*			trans	-144.4	147.3	150.5	26.7	0	0	0	0	109.4
417	S	41.2	Very low	41.4	Very low	104 Å²	104	158.3 Å²	158.3	73%	0.727	82%	0.816	S	S	*	*			trans	-75.5	155.2	172.5	51.1	0	0	0	0	111.2
418	L	45	Very low	40.8	Very low	148 Å²	148	159.2 Å²	159.2	78%	0.775	82%	0.82	S	S	*	*				-166.4	152.6	123	-102.5	160.4	0	0	0	112.2
419	Q	42.4	Very low	41	Very low	175 Å²	175	157.1 Å²	157.1	82%	0.818	82%	0.821	S	S	*	*			trans	57.2	129.1	158	-72.1	163.5	4	0	0	120.8
420	K	39.6	Very low	41.1	Very low	210 Å²	210	158.7 Å²	158.7	91%	0.913	82%	0.822	S	S	*	*			trans	-87.3	142.6	165	-59.1	170.6	-178.8	174	0	109
421	T	44.2	Very low	41.3	Very low	143 Å²	143	158.8 Å²	158.8	88%	0.877	82%	0.822	S	S	*	*			trans	-120.3	163.7	155.2	52	0	0	0	0	109.4
422	S	35.7	Very low	41.4	Very low	108 Å²	108	162.5 Å²	162.5	76%	0.755	83%	0.829	S	S	*	*			trans	-149.9	160.4	179	66.3	0	0	0	0	109.9
423	R	40.6	Very low	41.5	Very low	229 Å²	229	157.8 Å²	157.8	86%	0.864	83%	0.827	S	S	*	*			trans	72.7	150.6	-153.7	-60.2	175.4	160.9	154.6	-7.4	111.2
424	T	39.9	Very low	41.1	Very low	111 Å²	111	159.7 Å²	159.7	68%	0.681	83%	0.832	S	S	*	*			cis	-138.1	159.8	24.7	-36.7	0	0	0	0	114
425	E	40.1	Very low	40.9	Very low	157 Å²	157	155.6 Å²	155.6	73%	0.734	83%	0.83	S	S	*	*			trans	-5.8	139.1	170.7	-71.3	115.2	-126.2	0	0	121.8
426	N	40.2	Very low	41.4	Very low	168 Å²	168	152 Å²	152	90%	0.898	83%	0.829	S	S	*	*			trans	-168.8	73.9	140.5	-102.5	-46	0	0	0	111.4
427	S	35.1	Very low	41	Very low	116 Å²	116	155.7 Å²	155.7	81%	0.811	83%	0.827	S	S	*	*			trans	-169	94.7	173.5	-81.6	0	0	0	0	114.2
428	T	39.8	Very low	41	Very low	146 Å²	146	159.3 Å²	159.3	90%	0.896	83%	0.83	S	S	*	*			trans	-177.8	113.5	145.1	12.3	0	0	0	0	112.2
429	T	42.2	Very low	40.7	Very low	142 Å²	142	160.6 Å²	160.6	87%	0.871	83%	0.832	S	S	*	*			trans	-146.9	65.8	171.3	-39.9	0	0	0	0	113.6
430	I	43.8	Very low	40.4	Very low	171 Å²	171	163.5 Å²	163.5	88%	0.877	84%	0.835	S	S	*	*			trans	-138.3	131.1	153.6	-59.5	-176.2	0	0	0	107.2
431	R	41.7	Very low	40.5	Very low	220 Å²	220	158.1 Å²	158.1	83%	0.83	82%	0.822	S	S	*	*			trans	-118	138.8	179.8	-80.8	-176.5	176	178.3	-0.2	111.8
432	Q	42.5	Very low	40.1	Very low	172 Å²	172	157 Å²	157	80%	0.804	82%	0.82	S	S	*	*			trans	41.4	110.9	138	-59.2	165.6	-67.4	0	0	119.5
433	A	42.9	Very low	40.2	Very low	98 Å²	98	156.9 Å²	156.9	81%	0.81	83%	0.826	S	S	*	*				-156.6	125.5	127.3	0	0	0	0	0	108.8
434	N	37.7	Very low	40.2	Very low	172 Å²	172	150.4 Å²	150.4	92%	0.92	82%	0.821	S	S	*	*			trans	-162.4	153.1	171.3	-131.1	-20.7	0	0	0	110.7
435	A	40.9	Very low	40.3	Very low	97 Å²	97	155.1 Å²	155.1	80%	0.802	83%	0.832	S	S	*	*			trans	66.8	109.3	-174.1	0	0	0	0	0	116.7
436	D	45.7	Very low	40.3	Very low	169 Å²	169	151.9 Å²	151.9	90%	0.904	83%	0.832	S	S	*	*			trans	-142.5	167.4	136.2	-144.1	-28	0	0	0	110.2
437	R	39.1	Very low	40.4	Very low	214 Å²	214	150.4 Å²	150.4	81%	0.808	82%	0.824	S	S	*	*			trans	-151.1	115.4	-144.4	-178.1	-169.6	-171.5	-172.2	5.1	113.9
438	K	41.1	Very low	40.7	Very low	180 Å²	180	153.6 Å²	153.6	78%	0.783	82%	0.824	S	S	*	*			trans	161.3	139.6	139.9	-88	153.7	-171.2	177.5	0	116.1
439	Q	39	Very low	40.7	Very low	174 Å²	174	155.9 Å²	155.9	81%	0.813	82%	0.821	S	S	*	*			trans	59.6	113	138.2	-64.1	172.5	-25	0	0	124.4
440	R	36.5	Very low	40.8	Very low	236 Å²	236	152.6 Å²	152.6	89%	0.891	80%	0.804	S	S	*	*				37	162.2	114.1	-90.1	-171.1	136.3	-171.5	-4.1	122.5
441	P	41.8	Very low	40.5	Very low	98 Å²	98	150.6 Å²	150.6	64%	0.636	80%	0.8	S	S	*	*			cis	-144.7	161.5	-20.4	40.1	-21	0	0	0	118.8
442	S	36.1	Very low	40.4	Very low	119 Å²	119	146.5 Å²	146.5	83%	0.832	80%	0.8	S	S	*	*			trans	31.1	136.4	144.5	65.3	0	0	0	0	126.1
443	A	38.6	Very low	40.1	Very low	106 Å²	106	146.7 Å²	146.7	88%	0.876	80%	0.798	S	S	*	*			trans	-139.1	171.9	157.3	0	0	0	0	0	111.8
444	A	40.2	Very low	39.9	Very low	93 Å²	93	149.4 Å²	149.4	77%	0.769	80%	0.799	S	S	*	*			trans	-162.6	176.9	-173.2	0	0	0	0	0	116.4
445	K	41.4	Very low	40	Very low	209 Å²	209	146.5 Å²	146.5	91%	0.909	79%	0.792	S	S	*	*			trans	93.2	153.5	174.1	-57.2	170.9	-177.2	175.7	0	116.1
446	A	40.5	Very low	40.3	Very low	90 Å²	90	147.6 Å²	147.6	74%	0.744	79%	0.791	S	S	*	*			cis	-173.8	-174.6	-28.8	0	0	0	0	0	107.8
447	N	41	Very low	40.1	Very low	136 Å²	136	145.8 Å²	145.8	73%	0.727	79%	0.788	S	S	*	*			cis	-166.7	168.1	-1.9	-149.4	-25.1	0	0	0	112
448	K	42	Very low	39.9	Very low	183 Å²	183	141.9 Å²	141.9	80%	0.796	79%	0.788	S	S	*	*			trans	68.5	142.7	160.7	-60.2	172.5	-175.9	179.3	0	119.3
449	K	40.2	Very low	39.8	Very low	194 Å²	194	141.5 Å²	141.5	84%	0.843	79%	0.793	S	S	*	*			cis	106	131	13.3	-175.1	-165.7	174.8	-171.6	0	113.7
450	S	43.4	Very low	39.8	Very low	74 Å²	74	140.1 Å²	140.1	52%	0.517	79%	0.787	S	S	.	*			cis	-175.2	179.6	-16.9	62	0	0	0	0	112.7
451	T	38.8	Very low	40	Very low	128 Å²	128	137.1 Å²	137.1	79%	0.785	78%	0.78	S	S	*	*			trans	70.8	157.2	154.8	43.8	0	0	0	0	118.3
452	T	38.2	Very low	39.8	Very low	134 Å²	134	137.1 Å²	137.1	82%	0.822	78%	0.782	S	S	*	*			cis	-142.5	-177.7	20.1	-44.2	0	0	0	0	112.6
453	K	36.5	Very low	40	Very low	177 Å²	177	137.4 Å²	137.4	77%	0.77	78%	0.779	S	S	*	*			trans	-102.7	170.6	-178.5	-57.6	176.6	178	179.6	0	113.7
454	D	39.9	Very low	40.3	Very low	154 Å²	154	137.4 Å²	137.4	82%	0.824	77%	0.773	S	S	*	*				-178.7	-178.6	109.1	-86.3	-22.4	0	0	0	113.6
455	S	38.5	Very low	40.6	Very low	112 Å²	112	141.8 Å²	141.8	78%	0.783	78%	0.775	S	S	*	*			trans	-119.5	160.6	-154	-63.2	0	0	0	0	116.8
456	P	47	Very low	40.4	Very low	120 Å²	120	138.8 Å²	138.8	78%	0.779	77%	0.769	S	S	*	*			trans	-101.1	176.5	178.2	40.8	-36.9	0	0	0	114.6
457	P	42.6	Very low	40.3	Very low	130 Å²	130	138.8 Å²	138.8	84%	0.844	76%	0.763	S	S	*	*			trans	-143.5	-176.4	133.9	38.2	-22.2	0	0	0	117
458	T	34.2	Very low	40.5	Very low	132 Å²	132	140.5 Å²	140.5	81%	0.81	77%	0.766	S	S	*	*			trans	-82.8	167.3	-166.5	47.2	0	0	0	0	118.5
459	I	39.9	Very low	40.5	Very low	173 Å²	173	138.4 Å²	138.4	89%	0.887	76%	0.764	S	S	*	*			trans	-148.7	165.8	152.6	-100.2	153.9	0	0	0	110.2
460	E	38.4	Very low	40.4	Very low	144 Å²	144	133.6 Å²	133.6	67%	0.673	76%	0.755	S	S	*	*			trans	-115.3	-172.7	-158.1	-42.9	171.1	106.1	0	0	117
461	K	40	Very low	40.2	Very low	174 Å²	174	141.1 Å²	141.1	76%	0.757	77%	0.772	S	S	*	*			trans	78.5	150.3	154.5	-74.7	152.5	179	145.1	0	117.9
462	S	39.2	Very low	40.1	Very low	97 Å²	97	145.9 Å²	145.9	68%	0.678	78%	0.775	S	S	*	*			cis	-166.7	151	-5.4	43	0	0	0	0	115.9
463	T	39.4	Very low	40	Very low	125 Å²	125	144.5 Å²	144.5	77%	0.767	77%	0.771	S	S	*	*			trans	66.1	137.3	142.3	51.8	0	0	0	0	125.7
464	S	44.1	Very low	40.2	Very low	107 Å²	107	142.2 Å²	142.2	75%	0.748	77%	0.767	S	S	*	*			trans	79.3	153.4	146.5	83.1	0	0	0	0	119.2
465	K	46.3	Very low	40.2	Very low	185 Å²	185	140.9 Å²	140.9	80%	0.804	77%	0.765	S	S	*	*			cis	-164.1	162.1	-15.1	-115.3	172.4	-174	175.4	0	109.3
466	N	38.2	Very low	40	Very low	146 Å²	146	140 Å²	140	78%	0.781	77%	0.765	S	S	*	*			trans	65.7	157.6	160.3	-64.6	9.1	0	0	0	118.9
467	S	38.9	Very low	39.6	Very low	90 Å²	90	146 Å²	146	63%	0.629	77%	0.772	S	S	*	*			cis	-168.6	133.6	-27.2	54	0	0	0	0	113.4
468	H	45.1	Very low	39.2	Very low	171 Å²	171	144.9 Å²	144.9	79%	0.792	77%	0.767	S	S	*	*			trans	66.5	151.2	140.9	-85.4	-92.5	0	0	0	125.4
469	N	41.1	Very low	39.6	Very low	139 Å²	139	143.8 Å²	143.8	74%	0.743	76%	0.762	S	S	*	*			trans	70	111.1	159.8	-61	-6.3	0	0	0	118.5
470	S	38.8	Very low	39.5	Very low	94 Å²	94	143.3 Å²	143.3	66%	0.657	76%	0.761	S	S	*	*			cis	97.8	117.2	14.9	-159.9	0	0	0	0	116.7
471	R	38	Very low	39.6	Very low	232 Å²	232	142.3 Å²	142.3	88%	0.875	77%	0.769	S	S	*	*			trans	50.5	126.4	149.2	-66	172.2	177.9	163.4	-1	120.4
472	R	37.3	Very low	39.4	Very low	227 Å²	227	142.3 Å²	142.3	86%	0.857	78%	0.777	S	S	*	*				-156.9	154.4	107.7	-117.7	174.6	177	156.6	2.8	112.9	D474	R472-D474 IonicContact NE-OD2 3.95Å
473	S	35.8	Very low	39.5	Very low	106 Å²	106	144.5 Å²	144.5	74%	0.741	79%	0.786	S	S	*	*			trans	-162.5	107.2	179.7	55.4	0	0	0	0	108.6
474	D	41.3	Very low	39.2	Very low	128 Å²	128	144 Å²	144	68%	0.684	79%	0.788	S	S	*	*			trans	-148.3	163.4	-175.8	-72.7	-68.7	0	0	0	110.2	R472	R472-D474 IonicContact NE-OD2 3.95Å
475	T	39.7	Very low	39	Very low	127 Å²	127	150.4 Å²	150.4	78%	0.779	80%	0.795	S	S	*	*				-168.9	145	-51.2	-88.8	0	0	0	0	106
476	A	35.5	Very low	38.5	Very low	93 Å²	93	148.1 Å²	148.1	77%	0.769	79%	0.788	S	S	*	*			trans	-61.7	147.6	-164.1	0	0	0	0	0	118.5
477	R	37.4	Very low	38.5	Very low	246 Å²	246	147.7 Å²	147.7	93%	0.928	79%	0.791	S	S	*	*			trans	-175.4	152.4	151.6	-99.3	165.3	-179.6	-157.1	-1	107.6
478	S	34.4	Very low	38.5	Very low	106 Å²	106	150 Å²	150	74%	0.741	79%	0.789	S	S	*	*			cis	-151.5	170.7	-6.1	-120.3	0	0	0	0	109.7
479	P	43.7	Very low	38	Very low	109 Å²	109	153.1 Å²	153.1	71%	0.708	79%	0.794	S	S	*	*			trans	-101.9	-176.3	-169.5	39.3	-35.2	0	0	0	115.7
480	L	37.9	Very low	37.8	Very low	164 Å²	164	158 Å²	158	86%	0.859	80%	0.802	S	S	*	*			trans	101.7	103.2	164.6	-59.7	170.4	0	0	0	118.4
481	S	39.6	Very low	37.7	Very low	122 Å²	122	164.7 Å²	164.7	85%	0.853	81%	0.813	S	S	*	*			trans	-159.6	130.5	137.7	59.9	0	0	0	0	110.3
482	L	36.8	Very low	38	Very low	175 Å²	175	159.9 Å²	159.9	92%	0.916	81%	0.81	S	S	*	*			trans	-92.9	123.2	-179.4	-75.7	155.4	0	0	0	111.2
483	T	40.3	Very low	37.9	Very low	143 Å²	143	154.8 Å²	154.8	88%	0.877	81%	0.806	S	S	*	*			trans	-138.7	128.6	152.2	53.8	0	0	0	0	110
484	S	32.5	Very low	38.1	Very low	115 Å²	115	157.7 Å²	157.7	80%	0.804	81%	0.808	S	S	*	*			trans	-88	130.1	178	-177.4	0	0	0	0	110.7
485	R	40.8	Very low	37.9	Very low	240 Å²	240	159.7 Å²	159.7	91%	0.906	82%	0.819	S	S	*	*			trans	-136.8	119.8	159.9	-89	-170.5	165.7	174.2	-3.5	110.4	T487	R485-T487 PolarHBondContact O-N 3.24Å
486	E	35.5	Very low	37.8	Very low	138 Å²	138	162.8 Å²	162.8	65%	0.645	82%	0.824	S	S	*	*			trans	-68.4	108.7	-175.8	-57.7	178.2	108	0	0	112.2	K488	E486-K488 HydrophobicContact CB-CD 4.44Å; E486-K488 HydrophobicContact CB-CG 4.27Å; E486-K488 VanDerWaalsContact CD-CE 3.48Å; E486-K488 PolarHBondContact O-N 3.29Å; E486-K488 WeakPolarHBondContact OE1-CE 3.34Å; E486-K488 IonicContact OE1-NZ 2.67Å; E486-K488 PolarHBondContact OE1-NZ 2.93Å; E486-K488 WeakPolarHBondContact OE2-CE 3.3Å; E486-K488 IonicContact OE2-NZ 3.86Å; E486-K488 PolarHBondContact OE2-NZ 2.95Å
487	T	38.5	Very low	38.1	Very low	137 Å²	137	164.5 Å²	164.5	84%	0.84	83%	0.825	S	S	*	*			trans	-79.4	75.6	164.4	52.4	0	0	0	0	110.1	R485 R489	R485-T487 PolarHBondContact O-N 3.24Å; T487-R489 PolarHBondContact O-N 3.36Å
488	K	39.3	Very low	38.1	Very low	138 Å²	138	160.1 Å²	160.1	60%	0.6	82%	0.82	S	S	*	*			trans	-65	80.4	175.4	-87	168.2	174.1	153.2	0	111.5	E486 W490	E486-K488 HydrophobicContact CB-CD 4.44Å; E486-K488 HydrophobicContact CB-CG 4.27Å; E486-K488 VanDerWaalsContact CD-CE 3.48Å; E486-K488 PolarHBondContact O-N 3.29Å; E486-K488 WeakPolarHBondContact OE1-CE 3.34Å; E486-K488 IonicContact OE1-NZ 2.67Å; E486-K488 PolarHBondContact OE1-NZ 2.93Å; E486-K488 WeakPolarHBondContact OE2-CE 3.3Å; E486-K488 IonicContact OE2-NZ 3.86Å; E486-K488 PolarHBondContact OE2-NZ 2.95Å; K488-W490 PolarHBondContact O-N 3.38Å; K488-W490 VanDerWaalsContact O-N 3.12Å
489	R	34.6	Very low	38.3	Very low	236 Å²	236	163.3 Å²	163.3	89%	0.891	83%	0.829	S	S	*	*			trans	-80.4	85.6	-179.2	-164.3	179.3	-158.9	-103.7	8.5	109.9	T487 R491	T487-R489 PolarHBondContact O-N 3.36Å; R489-R491 PolarHBondContact O-N 3.37Å
490	W	35.9	Very low	38	Very low	241 Å²	241	164.4 Å²	164.4	91%	0.913	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-47.4	121.7	179	-68.8	92.1	0	0	0	112.4	K488	K488-W490 PolarHBondContact O-N 3.38Å; K488-W490 VanDerWaalsContact O-N 3.12Å
491	R	37.8	Very low	38	Very low	235 Å²	235	164.9 Å²	164.9	89%	0.887	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-84.3	133	162.4	-71.4	-177.9	175.5	178	-2	108.3	R489	R489-R491 PolarHBondContact O-N 3.37Å
492	T	42.7	Very low	38	Very low	131 Å²	131	166.2 Å²	166.2	80%	0.804	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-78.9	127.3	165.8	42.5	0	0	0	0	109.3
493	P	35.3	Very low	38.1	Very low	121 Å²	121	167.6 Å²	167.6	79%	0.786	82%	0.824	S	S	*	*			trans	-103.4	48.3	-170.2	41	-36.3	0	0	0	113.1
494	E	40.5	Very low	38.2	Very low	167 Å²	167	169.4 Å²	169.4	78%	0.78	82%	0.82	S	S	*	*			trans	-136.4	71.7	-169.5	-69.3	176.1	-119.6	0	0	111.7
495	D	38.2	Very low	38.5	Very low	170 Å²	170	173.5 Å²	173.5	91%	0.909	83%	0.826	S	S	*	*			trans	-148	23.6	172.1	-101.8	-35.7	0	0	0	111.6
496	E	36	Very low	38.4	Very low	191 Å²	191	170.4 Å²	170.4	89%	0.893	82%	0.822	S	S	*	*			trans	-135.4	77.5	178.5	-73	-170.6	172.9	0	0	112.5
497	V	43.2	Very low	38.5	Very low	130 Å²	130	173.4 Å²	173.4	79%	0.788	83%	0.833	S	S	*	*			trans	-138.5	126.5	158.3	-173.8	0	0	0	0	107.8	D499	V497-D499 PolarHBondContact O-N 2.95Å
498	N	36.7	Very low	38.5	Very low	154 Å²	154	177.8 Å²	177.8	82%	0.824	83%	0.834	S	S	*	*			trans	-79.5	117.1	175.9	-67.3	-57.6	0	0	0	109.7	D500	N498-D500 PolarHBondContact O-N 3.49Å
499	D	37.6	Very low	38.4	Very low	173 Å²	173	176.7 Å²	176.7	93%	0.925	84%	0.842	S	S	*	*			trans	-75.4	71.8	168.9	-81.4	-45.4	0	0	0	110.4	V497	V497-D499 PolarHBondContact O-N 2.95Å
500	D	38.3	Very low	38.5	Very low	132 Å²	132	169.9 Å²	169.9	71%	0.706	83%	0.83	S	S	*	*			trans	-130.6	144.6	165.8	-134.6	-30.7	0	0	0	109.8	N498	N498-D500 PolarHBondContact O-N 3.49Å
501	H	37.6	Very low	38.7	Very low	174 Å²	174	165.3 Å²	165.3	81%	0.806	83%	0.829	S	S	*	*			trans	65.2	102.7	-162.4	-42.8	-67	0	0	0	116.5
502	L	39.8	Very low	38.7	Very low	150 Å²	150	160.7 Å²	160.7	79%	0.785	82%	0.82	S	S	*	*				-171.8	60.1	121.7	-102.4	168	0	0	0	113.6	K504	L502-K504 VanDerWaalsContact C-N 3.34Å; L502-K504 HydrophobicContact CD2-CB 4.39Å; L502-K504 HydrophobicContact CD2-CD 4.21Å; L502-K504 HydrophobicContact CD2-CG 4.19Å; L502-K504 PolarHBondContact O-N 3.25Å
503	H	38.1	Very low	38.3	Very low	204 Å²	204	161.8 Å²	161.8	94%	0.944	82%	0.821	S	S	*	*			trans	-72.4	89.2	158	-91.9	-68.9	0	0	0	110
504	K	43.5	Very low	38.6	Very low	181 Å²	181	165.9 Å²	165.9	79%	0.787	83%	0.827	S	S	*	*			trans	-136.5	123.5	163.6	-71.9	-168.8	176.1	-178	0	110.1	L502 E506	L502-K504 VanDerWaalsContact C-N 3.34Å; L502-K504 HydrophobicContact CD2-CB 4.39Å; L502-K504 HydrophobicContact CD2-CD 4.21Å; L502-K504 HydrophobicContact CD2-CG 4.19Å; L502-K504 PolarHBondContact O-N 3.25Å; K504-E506 PolarHBondContact O-N 2.92Å
505	E	37.8	Very low	38.2	Very low	200 Å²	200	166.1 Å²	166.1	94%	0.935	83%	0.832	S	S	*	*			trans	-75.2	98.9	179.5	-63.7	178.2	161.6	0	0	110	K507	E505-K507 PolarHBondContact O-N 3.18Å
506	E	39.9	Very low	38.1	Very low	176 Å²	176	162.1 Å²	162.1	82%	0.822	82%	0.823	S	S	*	*			trans	-81.7	107.1	174.2	-164.3	161.1	-128.1	0	0	110	K504	K504-E506 PolarHBondContact O-N 2.92Å
507	K	38.2	Very low	38.3	Very low	200 Å²	200	162.7 Å²	162.7	87%	0.87	82%	0.823	S	S	*	*			trans	-93.6	104.7	-165.5	-165.3	177.7	-175.9	-176.9	0	110.9	E505	E505-K507 PolarHBondContact O-N 3.18Å
508	W	36.7	Very low	38.3	Very low	229 Å²	229	165.1 Å²	165.1	87%	0.867	83%	0.83	S	S	*	*			trans	-60.7	142.2	-177.8	-70.9	81.1	0	0	0	113.1	S510	W508-S510 PolarHBondContact O-N 3.39Å
509	P	37.3	Very low	38.5	Very low	116 Å²	116	166.6 Å²	166.6	75%	0.753	83%	0.829	S	S	*	*			trans	-74	112.1	172.1	30.7	-32.9	0	0	0	110	T511	P509-T511 PolarHBondContact O-N 3.5Å
510	S	38.2	Very low	38.8	Very low	93 Å²	93	167.4 Å²	167.4	65%	0.65	83%	0.825	S	S	*	*			trans	-66.5	125.7	169	54.4	0	0	0	0	110.4	W508 I512	W508-S510 PolarHBondContact O-N 3.39Å; S510-I512 PolarHBondContact O-N 3.4Å
511	T	39.2	Very low	38.9	Very low	145 Å²	145	170.7 Å²	170.7	89%	0.89	83%	0.833	S	S	*	*			trans	-66	101.6	170.2	44.4	0	0	0	0	110.2	P509	P509-T511 PolarHBondContact O-N 3.5Å
512	I	38.4	Very low	38.9	Very low	137 Å²	137	167.7 Å²	167.7	70%	0.703	83%	0.831	S	S	*	*			trans	-88.8	131	175.4	-67	173.1	0	0	0	109.5	S510 K514	S510-I512 PolarHBondContact O-N 3.4Å; I512-K514 PolarHBondContact O-N 2.89Å
513	N	33.8	Very low	39	Very low	155 Å²	155	164.8 Å²	164.8	83%	0.829	83%	0.829	S	S	*	*			trans	-55.1	128.9	178.1	-62.7	-28.3	0	0	0	111.9
514	K	42	Very low	39.3	Very low	206 Å²	206	162.9 Å²	162.9	90%	0.896	82%	0.824	S	S	*	*			trans	-132.5	74.4	167.9	-77.6	-168.1	174.1	-176.7	0	110.8	I512	I512-K514 PolarHBondContact O-N 2.89Å
515	L	31.8	Very low	39	Very low	172 Å²	172	160.1 Å²	160.1	90%	0.901	83%	0.827	S	S	*	*			trans	-114.5	88.1	170.3	-164.9	159.5	0	0	0	107.9
516	A	35.3	Very low	38.9	Very low	86 Å²	86	156.2 Å²	156.2	71%	0.711	82%	0.822	S	S	*	*			trans	-160.1	133.1	178	0	0	0	0	0	112.5
517	K	40.8	Very low	39	Very low	203 Å²	203	152.3 Å²	152.3	88%	0.883	82%	0.82	S	S	*	*			trans	64.4	78.8	159.3	-56.4	174.4	-175.9	177.5	0	118
518	L	42.4	Very low	39.2	Very low	182 Å²	182	150 Å²	150	95%	0.953	82%	0.817	S	S	*	*				-126.8	140.6	127.6	-94.5	171.3	0	0	0	107.8
519	K	42.6	Very low	39.2	Very low	185 Å²	185	145.1 Å²	145.1	80%	0.804	81%	0.808	S	S	*	*			trans	-141	134.1	-163.2	-136.6	-175.3	-176.7	176.7	0	111.6
520	K	42.4	Very low	39.2	Very low	190 Å²	190	144.7 Å²	144.7	83%	0.826	81%	0.808	S	S	*	*			trans	61.3	109	163.1	-62.2	-172.5	173.3	-168.1	0	119
521	K	42	Very low	39.4	Very low	201 Å²	201	145 Å²	145	87%	0.874	81%	0.81	S	S	*	*				176.5	101	120	-94.6	169.2	-180	-174.4	0	107.1
522	S	37.1	Very low	39.5	Very low	110 Å²	110	145.9 Å²	145.9	77%	0.769	81%	0.809	S	S	*	*				82.1	137.9	52.8	76.1	0	0	0	0	114.1
523	A	41.3	Very low	39.8	Very low	89 Å²	89	145.5 Å²	145.5	74%	0.736	81%	0.809	S	S	*	*			trans	82.4	101.9	-164.8	0	0	0	0	0	112.3
524	I	43.8	Very low	40.1	Very low	165 Å²	165	143.3 Å²	143.3	85%	0.846	80%	0.797	S	S	*	*			cis	80.5	96.2	47.6	-54.3	160.7	0	0	0	112.5
525	S	37.4	Very low	40.1	Very low	123 Å²	123	141.4 Å²	141.4	86%	0.86	79%	0.791	S	S	*	*				-174.9	150.7	106.4	42.1	0	0	0	0	110.5
526	S	35.6	Very low	40.6	Very low	118 Å²	118	138.3 Å²	138.3	83%	0.825	78%	0.783	S	S	*	*			trans	-125.3	131.1	-178.8	45.7	0	0	0	0	110.7
527	A	41.7	Very low	40.8	Very low	93 Å²	93	141.4 Å²	141.4	77%	0.769	79%	0.788	S	S	*	*			trans	-171	145.7	164.5	0	0	0	0	0	106.8
528	N	42.7	Very low	41	Very low	151 Å²	151	137.8 Å²	137.8	81%	0.807	78%	0.783	S	S	*	*			cis	-177.9	155.8	-21.4	-104.6	-18.2	0	0	0	103.2
529	N	36.8	Very low	41	Very low	127 Å²	127	133.5 Å²	133.5	68%	0.679	77%	0.769	S	S	*	*			trans	-61.2	140.2	-179	-44.3	-81.7	0	0	0	112.4
530	S	38.3	Very low	40.9	Very low	108 Å²	108	134 Å²	134	76%	0.755	77%	0.771	S	S	*	*				-165.7	134.6	115.8	-146.4	0	0	0	0	111.3
531	S	41	Very low	41	Very low	100 Å²	100	130.5 Å²	130.5	70%	0.699	77%	0.765	S	S	*	*			trans	-75.9	146	142.9	51.6	0	0	0	0	108.1
532	D	42	Very low	41.2	Very low	162 Å²	162	128.4 Å²	128.4	87%	0.866	76%	0.763	S	S	*	*			trans	-163.2	173.3	133.5	-107.2	-26.6	0	0	0	111.3
533	N	44	Very low	41.4	Very low	130 Å²	130	126.2 Å²	126.2	70%	0.695	76%	0.759	S	S	*	*			trans	-99.8	176.4	-161.9	-150.4	39.1	0	0	0	112.9
534	D	41.7	Very low	41.5	Very low	108 Å²	108	130.1 Å²	130.1	58%	0.578	77%	0.767	S	S	*	*			trans	72.4	107.9	152.2	-61.2	-39	0	0	0	121.9
535	H	41.7	Very low	41.4	Very low	166 Å²	166	130.6 Å²	130.6	77%	0.769	77%	0.765	S	S	*	*				83.9	133.6	127.7	-62.6	-36.6	0	0	0	123.4
536	S	41.2	Very low	41.6	Very low	107 Å²	107	131.1 Å²	131.1	75%	0.748	76%	0.763	S	S	*	*			trans	71.5	91.7	145	51	0	0	0	0	121.7
537	D	41.3	Very low	41.8	Very low	152 Å²	152	131.1 Å²	131.1	81%	0.813	76%	0.759	S	S	*	*				73.5	168.7	109.1	-123.4	-43	0	0	0	122
538	T	43.2	Very low	41.8	Very low	127 Å²	127	134.4 Å²	134.4	78%	0.779	76%	0.761	S	S	*	*			trans	75.4	141.3	178	77.1	0	0	0	0	115.9
539	S	42.7	Very low	41.8	Very low	92 Å²	92	131.5 Å²	131.5	64%	0.643	75%	0.753	S	S	*	*			cis	-164	175.1	-8.2	45.1	0	0	0	0	111.9
540	K	41.2	Very low	42.2	Very low	194 Å²	194	136 Å²	136	84%	0.843	76%	0.761	S	S	*	*			trans	79.2	143.8	172	-46	172.9	-173.9	177	0	113.1
541	V	44.8	Very low	42.5	Very low	117 Å²	117	136.8 Å²	136.8	71%	0.709	76%	0.756	S	S	*	*			cis	-133.9	145.6	15.4	173.1	0	0	0	0	109.8
542	D	45.5	Very low	42.8	Very low	157 Å²	157	138.4 Å²	138.4	84%	0.84	76%	0.757	S	S	*	*			trans	35	142.8	160.8	-49.2	-17.3	0	0	0	121.9
543	G	41.6	Very low	42.8	Very low	65 Å²	65	137.6 Å²	137.6	67%	0.67	75%	0.753	S	S	*	*			cis	153.6	112.2	-4.3	0	0	0	0	0	112.8
544	N	43.2	Very low	42.7	Very low	170 Å²	170	136.6 Å²	136.6	91%	0.909	75%	0.751	S	S	*	*			trans	-165.8	164.4	154.4	-111.7	-41	0	0	0	112
545	Q	42.4	Very low	42.8	Very low	175 Å²	175	137.7 Å²	137.7	82%	0.818	76%	0.762	S	S	*	*			trans	-98.1	150.3	-161.9	-52.4	174.7	32	0	0	113.9
546	V	41.1	Very low	42.7	Very low	135 Å²	135	133.4 Å²	133.4	82%	0.818	76%	0.755	S	S	*	*				178.1	148.9	109.6	152.1	0	0	0	0	110.2
547	T	39.8	Very low	42.9	Very low	118 Å²	118	136.1 Å²	136.1	72%	0.724	75%	0.754	S	S	*	*			trans	-72.8	158.1	-176.8	44.9	0	0	0	0	113.2
548	I	42.8	Very low	42.9	Very low	161 Å²	161	136.2 Å²	136.2	83%	0.826	75%	0.749	S	S	*	*				179	149.5	90	-83.6	158.9	0	0	0	106.5
549	S	41.1	Very low	42.7	Very low	91 Å²	91	134.8 Å²	134.8	64%	0.636	74%	0.744	S	S	*	*			cis	-178.8	159.7	-22.3	-175.4	0	0	0	0	107.6
550	R	45.3	Very low	42.6	Very low	221 Å²	221	137.2 Å²	137.2	83%	0.834	75%	0.749	S	S	*	*			trans	71.3	155.8	176.2	-55.9	-172.9	-179	110.1	-2.2	114.5
551	N	44.3	Very low	42.6	Very low	124 Å²	124	137 Å²	137	66%	0.663	75%	0.749	S	S	*	*			cis	-152	-171.8	-4.7	-136.1	66.9	0	0	0	111.4
552	N	47	Very low	42.3	Very low	135 Å²	135	137.8 Å²	137.8	72%	0.722	76%	0.756	S	S	*	*			trans	67.5	64.8	158.4	-65.9	6.6	0	0	0	118.8
553	N	43.9	Very low	41.9	Very low	145 Å²	145	137.7 Å²	137.7	78%	0.775	75%	0.754	S	S	*	*				35.2	144.8	106.3	-74.4	15.5	0	0	0	121.6
554	V	41.6	Very low	41.6	Very low	108 Å²	108	143.3 Å²	143.3	66%	0.655	76%	0.761	S	S	*	*			cis	-173.3	127.3	-20.8	108.4	0	0	0	0	109.8
555	T	42.3	Very low	41.4	Very low	131 Å²	131	144.5 Å²	144.5	80%	0.804	76%	0.758	S	S	*	*			trans	53.3	170.5	156.1	76	0	0	0	0	119.7
556	A	41.3	Very low	41.1	Very low	76 Å²	76	145.4 Å²	145.4	63%	0.628	76%	0.759	S	S	*	*			cis	-152.5	148.9	2.1	0	0	0	0	0	112.9
557	K	44.7	Very low	41	Very low	165 Å²	165	144.3 Å²	144.3	72%	0.717	76%	0.758	S	S	*	*			trans	56.7	128.3	131.3	-73.4	172	152.8	-85.1	0	122.8
558	E	41.1	Very low	40.7	Very low	154 Å²	154	144 Å²	144	72%	0.72	76%	0.76	S	S	*	*				59.1	138.2	128.2	-63.2	162.3	136.4	0	0	120.6
559	S	39	Very low	40.4	Very low	96 Å²	96	141.8 Å²	141.8	67%	0.671	76%	0.759	S	S	*	*			cis	-167.8	161.8	-11.3	63.2	0	0	0	0	112.2
560	L	39.9	Very low	40.1	Very low	144 Å²	144	143.5 Å²	143.5	75%	0.754	77%	0.771	S	S	*	*			trans	61.3	117.3	151.3	-68.1	166	0	0	0	122.4
561	K	41.7	Very low	39.8	Very low	190 Å²	190	138.6 Å²	138.6	83%	0.826	77%	0.77	S	S	*	*			trans	71.5	118.3	144.9	-58.5	171.1	-178.5	174.9	0	120.7
562	P	39.5	Very low	39.5	Very low	132 Å²	132	140.1 Å²	140.1	86%	0.857	78%	0.779	S	S	*	*			trans	-106.4	150.6	151.3	36.5	-28.8	0	0	0	112.6
563	L	36.8	Very low	39.1	Very low	156 Å²	156	141.2 Å²	141.2	82%	0.817	79%	0.785	S	S	*	*			trans	-146	110.9	-179.9	-156.3	149.2	0	0	0	112.2
564	F	35.4	Very low	39	Very low	183 Å²	183	142.1 Å²	142.1	80%	0.803	79%	0.789	S	S	*	*			trans	24.4	119.5	165.9	-62.5	-88.1	0	0	0	121.5
565	K	38.7	Very low	38.9	Very low	195 Å²	195	144.3 Å²	144.3	85%	0.848	80%	0.797	S	S	*	*				173.9	140.8	107	-95.7	152.2	-172.4	169.2	0	117.1
566	K	36.4	Very low	38.7	Very low	193 Å²	193	148.3 Å²	148.3	84%	0.839	81%	0.807	S	S	*	*			trans	33.7	120.6	143	-65	-175.6	172.9	-172.8	0	121.7
567	S	38.4	Very low	38.5	Very low	113 Å²	113	148.7 Å²	148.7	79%	0.79	81%	0.805	S	S	*	*				177.9	141	103.4	41.4	0	0	0	0	109.4
568	S	32.6	Very low	38.4	Very low	112 Å²	112	148.2 Å²	148.2	78%	0.783	82%	0.816	S	S	*	*			cis	106.9	76.8	13.8	78.9	0	0	0	0	115.7
569	S	38.5	Very low	38.1	Very low	114 Å²	114	146.1 Å²	146.1	80%	0.797	81%	0.813	S	S	*	*			trans	-147.1	100.5	164	51.9	0	0	0	0	107.6
570	S	34.7	Very low	38.2	Very low	127 Å²	127	147.2 Å²	147.2	89%	0.888	82%	0.816	S	S	*	*				72.4	87.7	61.5	-163.5	0	0	0	0	113.4
571	S	38.8	Very low	38	Very low	117 Å²	117	143.7 Å²	143.7	82%	0.818	81%	0.814	S	S	*	*			trans	-152.6	128.2	157	51.3	0	0	0	0	109.5
572	N	38.1	Very low	37.9	Very low	157 Å²	157	139.7 Å²	139.7	84%	0.84	81%	0.81	S	S	*	*			trans	-74.3	151.8	176.7	-81.1	-36.3	0	0	0	111
573	N	38	Very low	37.7	Very low	158 Å²	158	138.8 Å²	138.8	85%	0.845	81%	0.814	S	S	*	*				-167.1	135	121.9	-96.4	-34	0	0	0	112.3
574	N	41.1	Very low	37.8	Very low	164 Å²	164	136.1 Å²	136.1	88%	0.877	81%	0.808	S	S	*	*			trans	-73.9	125.6	173.9	-79.7	-36.2	0	0	0	110.6
575	N	39.4	Very low	37.8	Very low	153 Å²	153	132.9 Å²	132.9	82%	0.818	81%	0.808	S	S	*	*			trans	-147.2	113.8	158.4	-91.4	-48.9	0	0	0	109.3	S577	N575-S577 VanDerWaalsContact C-N 3.3Å; N575-S577 PolarHBondContact O-N 2.98Å
576	Q	39.4	Very low	38.2	Very low	216 Å²	216	129.8 Å²	129.8	100%	1.009	81%	0.805	S	S	*	*			trans	-76.5	82	175.2	-75.1	-175	-14.4	0	0	110.4
577	S	36.8	Very low	38.3	Very low	84 Å²	84	126.3 Å²	126.3	59%	0.587	80%	0.796	S	S	*	*			trans	-96.8	117.3	164	175.4	0	0	0	0	109.5	N575 T579	N575-S577 VanDerWaalsContact C-N 3.3Å; N575-S577 PolarHBondContact O-N 2.98Å; S577-T579 PolarHBondContact O-N 2.67Å; S577-T579 PolarHBondContact O-OG1 2.74Å; S577-T579 PolarHBondContact OG-OG1 3.36Å
578	V	41.6	Very low	38.5	Very low	155 Å²	155	128.1 Å²	128.1	94%	0.939	80%	0.797	S	S	*	*			trans	-75	77	166.6	-84.8	0	0	0	0	109.8
579	T	36.2	Very low	39	Very low	110 Å²	110	131.6 Å²	131.6	68%	0.675	80%	0.801	S	S	*	*			trans	-78.6	146.4	-177.6	-49.6	0	0	0	0	111.5	S577 G581	S577-T579 PolarHBondContact O-N 2.67Å; S577-T579 PolarHBondContact O-OG1 2.74Å; S577-T579 PolarHBondContact OG-OG1 3.36Å; T579-G581 PolarHBondContact O-N 2.94Å
580	V	39.8	Very low	39.5	Very low	118 Å²	118	134.1 Å²	134.1	72%	0.715	80%	0.8	S	S	*	*			trans	-78.1	108.1	-172.8	-169.9	0	0	0	0	112.2	S582	V580-S582 PolarHBondContact O-OG 3.23Å
581	G	35.5	Very low	39.7	Very low	70 Å²	70	135.2 Å²	135.2	72%	0.722	80%	0.796	S	S	*	*			trans	-73.4	108.5	149.9	0	0	0	0	0	107.6	T579	T579-G581 PolarHBondContact O-N 2.94Å
582	S	41.3	Very low	40.1	Very low	107 Å²	107	138.4 Å²	138.4	75%	0.748	80%	0.798	S	S	*	*			cis	59.5	114.6	47.3	-52.6	0	0	0	0	111.1	V580	V580-S582 PolarHBondContact O-OG 3.23Å
583	A	34.6	Very low	40.4	Very low	112 Å²	112	136.7 Å²	136.7	93%	0.926	80%	0.798	S	S	*	*			trans	-77.6	136.6	-166.5	0	0	0	0	0	112.5
584	S	39.1	Very low	40.6	Very low	101 Å²	101	132.5 Å²	132.5	71%	0.706	79%	0.792	S	S	*	*			trans	-108.7	118.2	158.6	55.2	0	0	0	0	108.9	V586	S584-V586 PolarHBondContact O-N 2.93Å
585	S	35.9	Very low	40.8	Very low	114 Å²	114	132.1 Å²	132.1	80%	0.797	79%	0.79	S	S	*	*			trans	-68.7	114	170.8	49.3	0	0	0	0	110.2
586	V	46.5	Very low	41.3	Very low	130 Å²	130	129.7 Å²	129.7	79%	0.788	78%	0.784	S	S	*	*			trans	-116.6	94.7	167.3	-78.8	0	0	0	0	108.9	S584 N588	S584-V586 PolarHBondContact O-N 2.93Å; V586-N588 PolarHBondContact O-N 3.27Å
587	N	37.5	Very low	42.2	Very low	121 Å²	121	122 Å²	122	65%	0.647	75%	0.753	S	S	*	*			trans	-72.3	116.5	165.2	-64.5	-17.4	0	0	0	107.7
588	N	44.1	Very low	43.8	Very low	150 Å²	150	123.5 Å²	123.5	80%	0.802	76%	0.755	S	S	*	*			trans	-155.8	122.7	155.3	-100.8	-11.3	0	0	0	108.6	V586 E590	V586-N588 PolarHBondContact O-N 3.27Å; N588-E590 PolarHBondContact O-N 3.22Å
589	E	41.5	Very low	45.3	Very low	186 Å²	186	121.8 Å²	121.8	87%	0.869	74%	0.741	S	S	*	*			trans	-87.5	76.9	177.5	-66.9	-169.4	137.6	0	0	111
590	E	50.5	Low	47.3	Very low	167 Å²	167	119.8 Å²	119.8	78%	0.78	73%	0.728	S	S	*	*			trans	-101.9	113.6	167.9	-65.7	-162.4	141.9	0	0	110.4	N588 E592	N588-E590 PolarHBondContact O-N 3.22Å; E590-E592 VanDerWaalsContact C-N 3.25Å; E590-E592 PolarHBondContact O-N 3.02Å
591	N	38.9	Very low	48.9	Very low	150 Å²	150	118.5 Å²	118.5	80%	0.802	72%	0.715	S	S	*	*			trans	-84.1	62.3	-174.3	-76.4	-95.9	0	0	0	110.9	S593	N591-S593 PolarHBondContact O-N 3.25Å
592	E	46.1	Very low	51	Low	184 Å²	184	117.8 Å²	117.8	86%	0.86	70%	0.695	S	S	*	*			trans	-72	92.1	171.4	-72.4	-147.5	123.2	0	0	110.7	E590 G594	E590-E592 VanDerWaalsContact C-N 3.25Å; E590-E592 PolarHBondContact O-N 3.02Å; E592-G594 PolarHBondContact O-N 3.02Å
593	S	44.2	Very low	53	Low	121 Å²	121	118 Å²	118	85%	0.846	69%	0.688	S	S	*	*			trans	-75.2	85.6	179.5	62.6	0	0	0	0	112	N591	N591-S593 PolarHBondContact O-N 3.25Å
594	G	41.9	Very low	55	Low	69 Å²	69	114.3 Å²	114.3	71%	0.711	65%	0.652	S	S	*	*			trans	82.7	90	147.7	0	0	0	0	0	117	E592	E592-G594 PolarHBondContact O-N 3.02Å
595	D	46.9	Very low	57.1	Low	157 Å²	157	114.4 Å²	114.4	84%	0.84	64%	0.637	S	S	*	*			trans	-130.5	104.3	130.5	-147.9	-11.9	0	0	0	109.8	S597	D595-S597 VanDerWaalsContact C-N 3.28Å; D595-S597 PolarHBondContact O-N 2.88Å
596	C	48.7	Very low	59.2	Low	102 Å²	102	113.8 Å²	113.8	69%	0.689	62%	0.624	S	S	*	*			trans	-79.2	83.6	174.9	-78.3	0	0	0	0	107.9
597	S	59.4	Low	60.8	Low	53 Å²	53	115.6 Å²	115.6	37%	0.371	62%	0.617	S	S	.	*			trans	-46.4	143.2	-169.8	69.7	0	0	0	0	113	D595 D599 V600 M601	D595-S597 VanDerWaalsContact C-N 3.28Å; D595-S597 PolarHBondContact O-N 2.88Å; S597-D599 PolarHBondContact O-N 2.79Å; S597-V600 PolarHBondContact O-N 3.31Å; S597-M601 PolarHBondContact O-N 2.8Å
598	D	69	Low	62.9	Low	117 Å²	117	115.1 Å²	115.1	63%	0.626	61%	0.609	S	S	*	*	H	α-helix	trans	-55.1	-28.6	-175.6	-109.9	-41.1	0	0	0	112	V600 M601 N602 R605	D598-V600 PolarHBondContact O-N 3.39Å; D598-M601 CarbonylContact O-C 3.59Å; D598-M601 PolarHBondContact O-N 2.82Å; D598-M601 VanDerWaalsContact O-N 3.16Å; D598-N602 VanDerWaalsContact O-CB 3.29Å; D598-N602 WeakPolarHBondContact O-CB 3.19Å; D598-N602 PolarHBondContact O-N 2.88Å; D598-N602 PolarHBondContact O-ND2 2.92Å; D598-N602 VanDerWaalsContact O-ND2 3.08Å; D598-R605 IonicContact OD1-NH2 3.76Å
599	D	74	Confident	64.8	Low	119 Å²	119	113 Å²	113	64%	0.636	60%	0.598	S	S	*	*	H	α-helix	trans	-60.5	-40.1	173.7	-63.1	-39.2	0	0	0	113.8	S597 M601 N602 L603	S597-D599 PolarHBondContact O-N 2.79Å; D599-M601 VanDerWaalsContact C-N 3.33Å; D599-N602 PolarHBondContact O-N 3.29Å; D599-L603 VanDerWaalsContact O-CB 3.23Å; D599-L603 WeakPolarHBondContact O-CB 3.41Å; D599-L603 PolarHBondContact O-N 2.83Å
600	V	77.1	Confident	66.7	Low	68 Å²	68	106.8 Å²	106.8	41%	0.412	58%	0.578	S	S	.	*	H	α-helix	trans	-68	-38.2	174.5	179	0	0	0	0	110	S597 D598 I604	S597-V600 PolarHBondContact O-N 3.31Å; D598-V600 PolarHBondContact O-N 3.39Å; V600-I604 HydrophobicContact CG1-CD1 3.95Å; V600-I604 WeakPolarHBondContact O-CB 3.34Å; V600-I604 WeakPolarHBondContact O-CD1 3.47Å; V600-I604 WeakPolarHBondContact O-CG1 3.44Å; V600-I604 PolarHBondContact O-N 3.46Å
601	M	74.8	Confident	68.1	Low	90 Å²	90	101.7 Å²	101.7	44%	0.443	56%	0.556	S	S	.	*	H	α-helix	trans	-73.4	-31.5	177.3	-71.3	-65.8	-77.2	0	0	113.1	S597 D598 D599 I604 R605	S597-M601 PolarHBondContact O-N 2.8Å; D598-M601 CarbonylContact O-C 3.59Å; D598-M601 PolarHBondContact O-N 2.82Å; D598-M601 VanDerWaalsContact O-N 3.16Å; D599-M601 VanDerWaalsContact C-N 3.33Å; M601-I604 HydrophobicContact SD-CD1 4.47Å; M601-R605 WeakPolarHBondContact O-CG 3.4Å; M601-R605 PolarHBondContact O-N 2.72Å; M601-R605 VanDerWaalsContact O-N 3.1Å; M601-R605 PolarHBondContact O-NE 2.89Å
602	N	79.8	Confident	70	Confident	55 Å²	55	97 Å²	97	29%	0.294	54%	0.538	S	S	.	.	H	α-helix	trans	-64.6	-54.5	169.3	-70.2	-33	0	0	0	109.2	D598 D599 I604 R605 D606	D598-N602 VanDerWaalsContact O-CB 3.29Å; D598-N602 WeakPolarHBondContact O-CB 3.19Å; D598-N602 PolarHBondContact O-N 2.88Å; D598-N602 PolarHBondContact O-ND2 2.92Å; D598-N602 VanDerWaalsContact O-ND2 3.08Å; D599-N602 PolarHBondContact O-N 3.29Å; N602-I604 VanDerWaalsContact C-N 3.27Å; N602-I604 PolarHBondContact O-N 2.97Å; N602-R605 CarbonylContact O-C 3.5Å; N602-R605 WeakPolarHBondContact O-CA 3.38Å; N602-R605 WeakPolarHBondContact O-CB 3.37Å; N602-R605 PolarHBondContact O-N 3.29Å; N602-R605 PolarHBondContact OD1-NH1 3.44Å; N602-R605 PolarHBondContact OD1-NH2 3.35Å; N602-D606 PolarHBondContact O-N 3.5Å
603	L	81.9	Confident	71.7	Confident	113 Å²	113	92.6 Å²	92.6	59%	0.592	52%	0.518	S	S	*	.	H	α-helix	trans	-58.5	-35.9	178	-176.9	63	0	0	0	112.7	D599 R607	D599-L603 VanDerWaalsContact O-CB 3.23Å; D599-L603 WeakPolarHBondContact O-CB 3.41Å; D599-L603 PolarHBondContact O-N 2.83Å; L603-R607 WeakPolarHBondContact O-CB 3.05Å; L603-R607 PolarHBondContact O-N 3.01Å
604	I	77.8	Confident	73.4	Confident	34 Å²	34	89.9 Å²	89.9	17%	0.174	49%	0.494	C	S	.	.	H	α-helix	trans	-68.5	-33.9	172.7	-75.4	168.2	0	0	0	112.1	M54 F55 V600 M601 N602 K608	M54-I604 HydrophobicContact CE-CG2 4.2Å; F55-I604 HydrophobicContact CE2-CD1 4.23Å; V600-I604 HydrophobicContact CG1-CD1 3.95Å; V600-I604 WeakPolarHBondContact O-CB 3.34Å; V600-I604 WeakPolarHBondContact O-CD1 3.47Å; V600-I604 WeakPolarHBondContact O-CG1 3.44Å; V600-I604 PolarHBondContact O-N 3.46Å; M601-I604 HydrophobicContact SD-CD1 4.47Å; N602-I604 VanDerWaalsContact C-N 3.27Å; N602-I604 PolarHBondContact O-N 2.97Å; I604-K608 HydrophobicContact CG2-CD 4.31Å; I604-K608 WeakPolarHBondContact O-CB 3.05Å; I604-K608 WeakPolarHBondContact O-CD 3.24Å; I604-K608 WeakPolarHBondContact O-CG 3.41Å; I604-K608 PolarHBondContact O-N 3.34Å
605	R	82.2	Confident	74.9	Confident	103 Å²	103	90.4 Å²	90.4	39%	0.389	48%	0.475	S	S	.	.	H	α-helix	trans	-71.8	-53.2	174.2	-78.9	178.9	-93.4	112.2	-4.8	110.9	D598 M601 N602 R607 K608 D609	D598-R605 IonicContact OD1-NH2 3.76Å; M601-R605 WeakPolarHBondContact O-CG 3.4Å; M601-R605 PolarHBondContact O-N 2.72Å; M601-R605 VanDerWaalsContact O-N 3.1Å; M601-R605 PolarHBondContact O-NE 2.89Å; N602-R605 CarbonylContact O-C 3.5Å; N602-R605 WeakPolarHBondContact O-CA 3.38Å; N602-R605 WeakPolarHBondContact O-CB 3.37Å; N602-R605 PolarHBondContact O-N 3.29Å; N602-R605 PolarHBondContact OD1-NH1 3.44Å; N602-R605 PolarHBondContact OD1-NH2 3.35Å; R605-R607 VanDerWaalsContact C-N 3.27Å; R605-R607 PolarHBondContact O-N 3.27Å; R605-K608 WeakPolarHBondContact O-CA 3.37Å; R605-K608 WeakPolarHBondContact O-CB 3.13Å; R605-K608 PolarHBondContact O-N 2.98Å; R605-D609 PolarHBondContact O-N 2.91Å
606	D	80.9	Confident	76.7	Confident	101 Å²	101	87.1 Å²	87.1	54%	0.54	45%	0.453	S	S	.	.	H	α-helix	trans	-56.1	-41.5	178.8	-60.1	-18.8	0	0	0	111.9	N602 D609 A610	N602-D606 PolarHBondContact O-N 3.5Å; D606-D609 PolarHBondContact O-N 2.82Å; D606-A610 WeakPolarHBondContact O-CB 3.37Å; D606-A610 PolarHBondContact O-N 2.86Å
607	R	80.8	Confident	78.3	Confident	167 Å²	167	89.6 Å²	89.6	63%	0.63	45%	0.448	S	S	*	.	H	α-helix	trans	-71.3	-28	177	-164.9	174.2	-168.6	175.6	4.7	113.4	L603 R605 L611	L603-R607 WeakPolarHBondContact O-CB 3.05Å; L603-R607 PolarHBondContact O-N 3.01Å; R605-R607 VanDerWaalsContact C-N 3.27Å; R605-R607 PolarHBondContact O-N 3.27Å; R607-L611 WeakPolarHBondContact O-CB 3.29Å; R607-L611 WeakPolarHBondContact O-CD1 3.43Å; R607-L611 VanDerWaalsContact O-CG 3.24Å; R607-L611 WeakPolarHBondContact O-CG 3.45Å; R607-L611 PolarHBondContact O-N 2.97Å
608	K	81.3	Confident	79.3	Confident	111 Å²	111	89 Å²	89	48%	0.483	44%	0.441	S	S	.	.	H	α-helix	trans	-70.5	-43.2	170.5	-79.8	167.3	-179.8	173.1	0	110.9	I604 R605 L611 A612	I604-K608 HydrophobicContact CG2-CD 4.31Å; I604-K608 WeakPolarHBondContact O-CB 3.05Å; I604-K608 WeakPolarHBondContact O-CD 3.24Å; I604-K608 WeakPolarHBondContact O-CG 3.41Å; I604-K608 PolarHBondContact O-N 3.34Å; R605-K608 WeakPolarHBondContact O-CA 3.37Å; R605-K608 WeakPolarHBondContact O-CB 3.13Å; R605-K608 PolarHBondContact O-N 2.98Å; K608-L611 PolarHBondContact O-N 3.33Å; K608-A612 PolarHBondContact O-N 2.98Å
609	D	82.6	Confident	79.8	Confident	105 Å²	105	85.3 Å²	85.3	56%	0.561	42%	0.423	S	S	*	.	H	α-helix	trans	-71.4	-38.2	-177.1	-66.8	-17.1	0	0	0	111.4	R605 D606 L611 A612 E613	R605-D609 PolarHBondContact O-N 2.91Å; D606-D609 PolarHBondContact O-N 2.82Å; D609-L611 PolarHBondContact O-N 3.24Å; D609-A612 WeakPolarHBondContact O-CB 3.3Å; D609-A612 PolarHBondContact O-N 2.92Å; D609-A612 VanDerWaalsContact O-N 3.12Å; D609-E613 PolarHBondContact O-N 2.8Å
610	A	81.5	Confident	80.1	Confident	56 Å²	56	85 Å²	85	46%	0.463	42%	0.418	S	S	.	.	H	α-helix	trans	-58.3	-44.5	168.6	0	0	0	0	0	112.3	D606 A612 E613 D614	D606-A610 WeakPolarHBondContact O-CB 3.37Å; D606-A610 PolarHBondContact O-N 2.86Å; A610-A612 VanDerWaalsContact C-N 3.28Å; A610-A612 PolarHBondContact O-N 3.23Å; A610-E613 PolarHBondContact O-N 3.08Å; A610-D614 WeakPolarHBondContact O-CB 3.37Å; A610-D614 PolarHBondContact O-N 2.86Å
611	L	79.7	Confident	80.2	Confident	60 Å²	60	84.3 Å²	84.3	31%	0.314	42%	0.419	S	S	.	.	H	α-helix	trans	-66.6	-27.7	175.3	-75.2	170.2	0	0	0	113	R607 K608 D609 Y615	R607-L611 WeakPolarHBondContact O-CB 3.29Å; R607-L611 WeakPolarHBondContact O-CD1 3.43Å; R607-L611 VanDerWaalsContact O-CG 3.24Å; R607-L611 WeakPolarHBondContact O-CG 3.45Å; R607-L611 PolarHBondContact O-N 2.97Å; K608-L611 PolarHBondContact O-N 3.33Å; D609-L611 PolarHBondContact O-N 3.24Å; L611-Y615 VanDerWaalsContact O-CB 3.31Å; L611-Y615 WeakPolarHBondContact O-CB 3.35Å; L611-Y615 PolarHBondContact O-N 2.99Å
612	A	79.4	Confident	80.2	Confident	52 Å²	52	82.8 Å²	82.8	43%	0.43	41%	0.41	S	S	.	.	H	α-helix	trans	-73.9	-43	175.8	0	0	0	0	0	112	K608 D609 A610 Y615 K616	K608-A612 PolarHBondContact O-N 2.98Å; D609-A612 WeakPolarHBondContact O-CB 3.3Å; D609-A612 PolarHBondContact O-N 2.92Å; D609-A612 VanDerWaalsContact O-N 3.12Å; A610-A612 VanDerWaalsContact C-N 3.28Å; A610-A612 PolarHBondContact O-N 3.23Å; A612-Y615 PolarHBondContact O-N 2.69Å; A612-K616 WeakPolarHBondContact O-CB 3.45Å; A612-K616 PolarHBondContact O-N 3.21Å
613	E	81.7	Confident	80	Confident	92 Å²	92	82.9 Å²	82.9	43%	0.43	41%	0.413	S	S	.	.	H	α-helix	trans	-69.7	-34.6	174	-77.9	-64.2	145	0	0	112.5	D609 A610 K616 R617	D609-E613 PolarHBondContact O-N 2.8Å; A610-E613 PolarHBondContact O-N 3.08Å; E613-K616 PolarHBondContact O-N 3.48Å; E613-K616 WeakPolarHBondContact OE1-CD 3.48Å; E613-K616 IonicContact OE1-NZ 2.65Å; E613-K616 PolarHBondContact OE1-NZ 3.1Å; E613-K616 IonicContact OE2-NZ 2.89Å; E613-K616 PolarHBondContact OE2-NZ 2.88Å; E613-R617 WeakPolarHBondContact O-CB 3.24Å; E613-R617 WeakPolarHBondContact O-CG 3.5Å; E613-R617 PolarHBondContact O-N 3.36Å
614	D	80	Confident	79.9	Confident	63 Å²	63	80.6 Å²	80.6	34%	0.337	40%	0.404	S	S	.	.	H	α-helix	trans	-59	-49.3	167.6	-84.1	0.3	0	0	0	111.8	A610 K616 R617 D618	A610-D614 WeakPolarHBondContact O-CB 3.37Å; A610-D614 PolarHBondContact O-N 2.86Å; D614-K616 VanDerWaalsContact C-N 3.32Å; D614-K616 PolarHBondContact O-N 3.46Å; D614-R617 PolarHBondContact O-N 3.42Å; D614-R617 IonicContact OD1-CZ 2.68Å; D614-R617 IonicContact OD1-NE 3.58Å; D614-R617 IonicContact OD1-NH2 2.69Å; D614-R617 PolarHBondContact OD1-NH2 2.77Å; D614-D618 PolarHBondContact O-N 3.46Å
615	Y	74.5	Confident	79.8	Confident	80 Å²	80	82.2 Å²	82.2	31%	0.314	42%	0.415	S	S	.	.	H	α-helix	trans	-63.2	-37.9	178.8	176.8	-102.9	0	0	0	112.5	L611 A612 D618 C619	L611-Y615 VanDerWaalsContact O-CB 3.31Å; L611-Y615 WeakPolarHBondContact O-CB 3.35Å; L611-Y615 PolarHBondContact O-N 2.99Å; A612-Y615 PolarHBondContact O-N 2.69Å; Y615-D618 PolarHBondContact O-N 2.93Å; Y615-C619 WeakPolarHBondContact O-CB 3.35Å; Y615-C619 PolarHBondContact O-N 3.04Å; Y615-C619 PolarHBondContact O-SG 3.16Å
616	K	83.1	Confident	79.5	Confident	89 Å²	89	78.2 Å²	78.2	39%	0.387	40%	0.402	S	S	.	.	H	α-helix	trans	-63.2	-45.7	173.9	174.8	173.1	152.8	-127.7	0	111.5	A612 E613 D614 C619 E620	A612-K616 WeakPolarHBondContact O-CB 3.45Å; A612-K616 PolarHBondContact O-N 3.21Å; E613-K616 PolarHBondContact O-N 3.48Å; E613-K616 WeakPolarHBondContact OE1-CD 3.48Å; E613-K616 IonicContact OE1-NZ 2.65Å; E613-K616 PolarHBondContact OE1-NZ 3.1Å; E613-K616 IonicContact OE2-NZ 2.89Å; E613-K616 PolarHBondContact OE2-NZ 2.88Å; D614-K616 VanDerWaalsContact C-N 3.32Å; D614-K616 PolarHBondContact O-N 3.46Å; K616-C619 WeakPolarHBondContact O-CB 3.36Å; K616-C619 PolarHBondContact O-N 3.42Å; K616-E620 WeakPolarHBondContact O-CG 3.4Å; K616-E620 PolarHBondContact O-N 3.41Å
617	R	82.6	Confident	79.3	Confident	154 Å²	154	80 Å²	80	58%	0.581	40%	0.401	S	S	*	.	H	α-helix	trans	-61.7	-45.5	173.5	-72.7	-174.2	-70.3	179.2	-4	112.4	E613 D614 C619 E620 A621	E613-R617 WeakPolarHBondContact O-CB 3.24Å; E613-R617 WeakPolarHBondContact O-CG 3.5Å; E613-R617 PolarHBondContact O-N 3.36Å; D614-R617 PolarHBondContact O-N 3.42Å; D614-R617 IonicContact OD1-CZ 2.68Å; D614-R617 IonicContact OD1-NE 3.58Å; D614-R617 IonicContact OD1-NH2 2.69Å; D614-R617 PolarHBondContact OD1-NH2 2.77Å; R617-C619 VanDerWaalsContact C-N 3.28Å; R617-C619 PolarHBondContact O-N 3.46Å; R617-E620 PolarHBondContact O-N 2.94Å; R617-A621 WeakPolarHBondContact O-CB 3.43Å; R617-A621 PolarHBondContact O-N 3.16Å
618	D	80.8	Confident	78.9	Confident	41 Å²	41	78.7 Å²	78.7	22%	0.219	40%	0.404	C	S	.	.	H	α-helix	trans	-61.3	-35.8	175.1	-85.5	-4.9	0	0	0	111.5	R48 D614 Y615 F622	R48-D618 IonicContact CZ-OD2 3.74Å; R48-D618 VanDerWaalsContact CZ-OD2 3.31Å; R48-D618 IonicContact NE-OD2 3.72Å; R48-D618 PolarHBondContact NE-OD2 3.46Å; R48-D618 IonicContact NH2-OD1 2.72Å; R48-D618 PolarHBondContact NH2-OD1 3.01Å; R48-D618 VanDerWaalsContact NH2-OD1 3.17Å; R48-D618 IonicContact NH2-OD2 3.53Å; R48-D618 PolarHBondContact NH2-OD2 3Å; D614-D618 PolarHBondContact O-N 3.46Å; Y615-D618 PolarHBondContact O-N 2.93Å; D618-F622 VanDerWaalsContact O-CB 3.22Å; D618-F622 WeakPolarHBondContact O-CB 3.21Å; D618-F622 PolarHBondContact O-N 2.94Å
619	C	78.9	Confident	78.5	Confident	38 Å²	38	77.1 Å²	77.1	26%	0.257	40%	0.4	S	S	.	.	H	α-helix	trans	-69.7	-42	173.3	-83.5	0	0	0	0	113.6	Y615 K616 R617 F622 T623	Y615-C619 WeakPolarHBondContact O-CB 3.35Å; Y615-C619 PolarHBondContact O-N 3.04Å; Y615-C619 PolarHBondContact O-SG 3.16Å; K616-C619 WeakPolarHBondContact O-CB 3.36Å; K616-C619 PolarHBondContact O-N 3.42Å; R617-C619 VanDerWaalsContact C-N 3.28Å; R617-C619 PolarHBondContact O-N 3.46Å; C619-F622 PolarHBondContact O-N 3Å; C619-T623 WeakPolarHBondContact O-CG2 3.5Å; C619-T623 PolarHBondContact O-N 2.97Å; C619-T623 PolarHBondContact O-OG1 3.02Å
620	E	81.5	Confident	77.9	Confident	114 Å²	114	76.5 Å²	76.5	53%	0.533	40%	0.396	S	S	.	.	H	α-helix	trans	-66.5	-41	176.4	-74.2	177.6	-164.3	0	0	111.5	K616 R617 T623 T624	K616-E620 WeakPolarHBondContact O-CG 3.4Å; K616-E620 PolarHBondContact O-N 3.41Å; R617-E620 PolarHBondContact O-N 2.94Å; E620-T623 PolarHBondContact O-N 3.01Å; E620-T623 PolarHBondContact O-OG1 3.2Å; E620-T624 WeakPolarHBondContact O-CB 3.23Å; E620-T624 PolarHBondContact O-N 2.95Å; E620-T624 PolarHBondContact O-OG1 3.33Å
621	A	79.3	Confident	76.7	Confident	53 Å²	53	87.5 Å²	87.5	44%	0.438	43%	0.426	S	S	.	.	H	α-helix	trans	-60	-48.7	170	0	0	0	0	0	111.6	R617 T623 T624 V625	R617-A621 WeakPolarHBondContact O-CB 3.43Å; R617-A621 PolarHBondContact O-N 3.16Å; A621-T623 PolarHBondContact O-N 3.45Å; A621-T624 PolarHBondContact O-N 3.13Å; A621-T624 VanDerWaalsContact O-N 3.08Å; A621-V625 WeakPolarHBondContact O-CG2 3.5Å; A621-V625 PolarHBondContact O-N 3.22Å
622	F	75.2	Confident	76.5	Confident	58 Å²	58	88.9 Å²	88.9	25%	0.254	43%	0.431	S	S	.	.	H	α-helix	trans	-58.8	-46.2	176.8	176.2	-98.6	0	0	0	112.4	V38 L41 D618 C619 T624 V625 V626	V38-F622 HydrophobicContact CG1-CZ 4.37Å; L41-F622 HydrophobicContact CB-CD2 4.31Å; L41-F622 HydrophobicContact CB-CE2 3.96Å; L41-F622 HydrophobicContact CD1-CD2 4.13Å; L41-F622 HydrophobicContact CD1-CE2 4Å; D618-F622 VanDerWaalsContact O-CB 3.22Å; D618-F622 WeakPolarHBondContact O-CB 3.21Å; D618-F622 PolarHBondContact O-N 2.94Å; C619-F622 PolarHBondContact O-N 3Å; F622-T624 PolarHBondContact O-N 3.05Å; F622-V625 PolarHBondContact O-N 3.18Å; F622-V626 HydrophobicContact CD1-CG2 4.23Å; F622-V626 HydrophobicContact CD2-CG2 4.21Å; F622-V626 HydrophobicContact CE1-CG2 3.86Å; F622-V626 HydrophobicContact CE2-CG2 3.83Å; F622-V626 HydrophobicContact CG-CG2 4.4Å; F622-V626 HydrophobicContact CZ-CG2 3.65Å; F622-V626 VanDerWaalsContact O-CB 3.28Å; F622-V626 WeakPolarHBondContact O-CB 3.2Å; F622-V626 VanDerWaalsContact O-CG2 3.25Å; F622-V626 WeakPolarHBondContact O-CG2 3.38Å; F622-V626 PolarHBondContact O-N 2.96Å
623	T	75.1	Confident	76.4	Confident	57 Å²	57	90.8 Å²	90.8	35%	0.35	43%	0.431	S	S	.	.	H	α-helix	trans	-63.2	-29.6	176.4	61.1	0	0	0	0	112.4	C619 E620 A621 R627	C619-T623 WeakPolarHBondContact O-CG2 3.5Å; C619-T623 PolarHBondContact O-N 2.97Å; C619-T623 PolarHBondContact O-OG1 3.02Å; E620-T623 PolarHBondContact O-N 3.01Å; E620-T623 PolarHBondContact O-OG1 3.2Å; A621-T623 PolarHBondContact O-N 3.45Å; T623-R627 WeakPolarHBondContact O-CB 3.49Å; T623-R627 VanDerWaalsContact O-CG 3.31Å; T623-R627 WeakPolarHBondContact O-CG 3.29Å; T623-R627 PolarHBondContact O-N 3.28Å; T623-R627 PolarHBondContact OG1-NH2 2.94Å
624	T	78.3	Confident	76.1	Confident	65 Å²	65	90.7 Å²	90.7	40%	0.399	43%	0.431	S	S	.	.	H	α-helix	trans	-76.1	-45.6	178.6	-57.7	0	0	0	0	112	E620 A621 F622 V626 R627 M628	E620-T624 WeakPolarHBondContact O-CB 3.23Å; E620-T624 PolarHBondContact O-N 2.95Å; E620-T624 PolarHBondContact O-OG1 3.33Å; A621-T624 PolarHBondContact O-N 3.13Å; A621-T624 VanDerWaalsContact O-N 3.08Å; F622-T624 PolarHBondContact O-N 3.05Å; T624-V626 VanDerWaalsContact C-N 3.3Å; T624-V626 PolarHBondContact O-N 3.45Å; T624-R627 VanDerWaalsContact CA-NH1 3.35Å; T624-R627 PolarHBondContact O-N 3.41Å; T624-R627 PolarHBondContact OG1-NH1 3.24Å; T624-M628 WeakPolarHBondContact O-CG 3.04Å; T624-M628 PolarHBondContact O-N 3.01Å
625	V	76.4	Confident	75.8	Confident	67 Å²	67	92.4 Å²	92.4	41%	0.406	44%	0.437	S	S	.	.	H	α-helix	trans	-59.1	-41.8	170.4	172.2	0	0	0	0	111	A621 F622 M628 L629	A621-V625 WeakPolarHBondContact O-CG2 3.5Å; A621-V625 PolarHBondContact O-N 3.22Å; F622-V625 PolarHBondContact O-N 3.18Å; V625-M628 PolarHBondContact O-N 2.96Å; V625-L629 HydrophobicContact CG1-CD1 3.88Å; V625-L629 WeakPolarHBondContact O-CB 3.38Å; V625-L629 WeakPolarHBondContact O-CG 3.49Å; V625-L629 PolarHBondContact O-N 3.3Å
626	V	76.1	Confident	75.9	Confident	19 Å²	19	93.1 Å²	93.1	12%	0.115	44%	0.444	C	S	.	.	H	α-helix	trans	-68	-38.1	176.5	168.4	0	0	0	0	112	F622 T624 M628 L629 I630	F622-V626 HydrophobicContact CD1-CG2 4.23Å; F622-V626 HydrophobicContact CD2-CG2 4.21Å; F622-V626 HydrophobicContact CE1-CG2 3.86Å; F622-V626 HydrophobicContact CE2-CG2 3.83Å; F622-V626 HydrophobicContact CG-CG2 4.4Å; F622-V626 HydrophobicContact CZ-CG2 3.65Å; F622-V626 VanDerWaalsContact O-CB 3.28Å; F622-V626 WeakPolarHBondContact O-CB 3.2Å; F622-V626 VanDerWaalsContact O-CG2 3.25Å; F622-V626 WeakPolarHBondContact O-CG2 3.38Å; F622-V626 PolarHBondContact O-N 2.96Å; T624-V626 VanDerWaalsContact C-N 3.3Å; T624-V626 PolarHBondContact O-N 3.45Å; V626-M628 VanDerWaalsContact C-N 3.33Å; V626-M628 PolarHBondContact O-N 3.41Å; V626-L629 PolarHBondContact O-N 3.48Å; V626-I630 HydrophobicContact CG1-CD1 3.49Å; V626-I630 VanDerWaalsContact CG1-CD1 3.49Å; V626-I630 HydrophobicContact CG1-CG1 4.48Å; V626-I630 WeakPolarHBondContact O-CB 3.37Å; V626-I630 VanDerWaalsContact O-CD1 3.26Å; V626-I630 WeakPolarHBondContact O-CD1 3.35Å; V626-I630 WeakPolarHBondContact O-CG1 3.35Å; V626-I630 PolarHBondContact O-N 2.72Å
627	R	76	Confident	75.5	Confident	140 Å²	140	93.4 Å²	93.4	53%	0.528	45%	0.448	S	S	.	.	H	α-helix	trans	-62.3	-38.9	171.3	-82.2	-174	-123.3	95.9	5.7	112	T623 T624 I630 R631	T623-R627 WeakPolarHBondContact O-CB 3.49Å; T623-R627 VanDerWaalsContact O-CG 3.31Å; T623-R627 WeakPolarHBondContact O-CG 3.29Å; T623-R627 PolarHBondContact O-N 3.28Å; T623-R627 PolarHBondContact OG1-NH2 2.94Å; T624-R627 VanDerWaalsContact CA-NH1 3.35Å; T624-R627 PolarHBondContact O-N 3.41Å; T624-R627 PolarHBondContact OG1-NH1 3.24Å; R627-I630 PolarHBondContact O-N 3.41Å; R627-R631 PolarHBondContact O-N 3.43Å
628	M	72.5	Confident	74.9	Confident	138 Å²	138	89.1 Å²	89.1	68%	0.68	44%	0.439	S	S	*	.	H	α-helix	trans	-66.9	-39.6	175.3	-70.9	172.6	64.7	0	0	112.3	T624 V625 V626 I630	T624-M628 WeakPolarHBondContact O-CG 3.04Å; T624-M628 PolarHBondContact O-N 3.01Å; V625-M628 PolarHBondContact O-N 2.96Å; V626-M628 VanDerWaalsContact C-N 3.33Å; V626-M628 PolarHBondContact O-N 3.41Å; M628-I630 PolarHBondContact O-N 3.04Å
629	L	72.9	Confident	74.5	Confident	79 Å²	79	92.8 Å²	92.8	41%	0.414	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-0.6	177.5	-73.3	168.1	0	0	0	115	V625 V626	V625-L629 HydrophobicContact CG1-CD1 3.88Å; V625-L629 WeakPolarHBondContact O-CB 3.38Å; V625-L629 WeakPolarHBondContact O-CG 3.49Å; V625-L629 PolarHBondContact O-N 3.3Å; V626-L629 PolarHBondContact O-N 3.48Å
630	I	71.5	Confident	74.1	Confident	92 Å²	92	97.3 Å²	97.3	47%	0.472	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-12.3	178.9	-73	165.8	0	0	0	112	V626 R627 M628	V626-I630 HydrophobicContact CG1-CD1 3.49Å; V626-I630 VanDerWaalsContact CG1-CD1 3.49Å; V626-I630 HydrophobicContact CG1-CG1 4.48Å; V626-I630 WeakPolarHBondContact O-CB 3.37Å; V626-I630 VanDerWaalsContact O-CD1 3.26Å; V626-I630 WeakPolarHBondContact O-CD1 3.35Å; V626-I630 WeakPolarHBondContact O-CG1 3.35Å; V626-I630 PolarHBondContact O-N 2.72Å; R627-I630 PolarHBondContact O-N 3.41Å; M628-I630 PolarHBondContact O-N 3.04Å
631	R	54.7	Low	73.5	Confident	286 Å²	286	95.8 Å²	95.8	100%	1.079	47%	0.467	S	S	*	.			trans	-83.2	0	168.2	-76	-177.5	168.4	176.4	-3.8	110.9	R627	R627-R631 PolarHBondContact O-N 3.43Å

Retrieved 631 of 631 residues in 646.8 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).