A0A077ZN79_TRITR Loading...

Mitogen-activated protein kinase kinase kinase 11

AlphaFold DB , UniProt , Accession A0A077ZN79, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 169 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	42.7	Very low	248 Å²	248	142.2 Å²	142.2	100%	1.222	84%	0.841	S	S	*	*				0	98.9	0	-64.9	178.5	119.7	0	0	107.5	S3	M1-S3 PolarHBondContact O-N 2.91Å
2	S	42.4	Very low	42	Very low	132 Å²	132	134.7 Å²	134.7	92%	0.923	82%	0.815	S	S	*	*			trans	-83.8	113	-176.3	-70.5	0	0	0	0	110.2
3	S	38.4	Very low	41.9	Very low	110 Å²	110	140.2 Å²	140.2	77%	0.769	82%	0.822	S	S	*	*			trans	-75.7	135.2	179.2	-153.6	0	0	0	0	110.4	M1 V5	M1-S3 PolarHBondContact O-N 2.91Å; S3-V5 PolarHBondContact O-N 2.99Å
4	P	46.2	Very low	41.9	Very low	112 Å²	112	145.9 Å²	145.9	73%	0.727	83%	0.825	S	S	*	*			trans	-71.4	125.8	-174	24	-30	0	0	0	112.4	R6	P4-R6 PolarHBondContact O-N 2.58Å; P4-R6 VanDerWaalsContact O-N 3.14Å
5	V	46.9	Very low	41.6	Very low	120 Å²	120	143.4 Å²	143.4	73%	0.727	82%	0.82	S	S	*	*			trans	-64.2	108	177.4	179.3	0	0	0	0	109.5	S3	S3-V5 PolarHBondContact O-N 2.99Å
6	R	42.4	Very low	41.7	Very low	230 Å²	230	141.6 Å²	141.6	87%	0.868	82%	0.819	S	S	*	*			trans	-83.9	113.1	172.4	-76	-175.1	147.1	-171.8	-6.2	109.4	P4 V8	P4-R6 PolarHBondContact O-N 2.58Å; P4-R6 VanDerWaalsContact O-N 3.14Å; R6-V8 PolarHBondContact O-N 2.72Å; R6-V8 VanDerWaalsContact O-N 3.13Å
7	F	42.3	Very low	41.6	Very low	196 Å²	196	146.8 Å²	146.8	86%	0.86	82%	0.822	S	S	*	*			trans	-69.1	105.7	169.9	-70.2	-86.5	0	0	0	109.2	A9	F7-A9 PolarHBondContact O-N 3.28Å
8	V	47.6	Very low	41.6	Very low	130 Å²	130	144.8 Å²	144.8	79%	0.788	82%	0.82	S	S	*	*			trans	-73.4	106.8	167.6	176.2	0	0	0	0	106.7	R6 S10	R6-V8 PolarHBondContact O-N 2.72Å; R6-V8 VanDerWaalsContact O-N 3.13Å; V8-S10 PolarHBondContact O-N 2.8Å; V8-S10 VanDerWaalsContact O-N 3.14Å
9	A	45.7	Very low	41.3	Very low	92 Å²	92	143.8 Å²	143.8	76%	0.76	81%	0.812	S	S	*	*			trans	-62.8	114.5	170.7	0	0	0	0	0	108.5	F7 G11	F7-A9 PolarHBondContact O-N 3.28Å; A9-G11 PolarHBondContact O-N 2.87Å
10	S	43.2	Very low	41.2	Very low	119 Å²	119	141.5 Å²	141.5	83%	0.832	81%	0.812	S	S	*	*			trans	-51.9	124.2	-178.8	-59.5	0	0	0	0	111.1	V8 G12	V8-S10 PolarHBondContact O-N 2.8Å; V8-S10 VanDerWaalsContact O-N 3.14Å; S10-G12 PolarHBondContact O-N 3.23Å
11	G	32.1	Very low	41.2	Very low	75 Å²	75	141.7 Å²	141.7	77%	0.773	81%	0.805	S	S	*	*			trans	-52.8	106.6	-176	0	0	0	0	0	113.3	A9	A9-G11 PolarHBondContact O-N 2.87Å
12	G	34.1	Very low	40.9	Very low	52 Å²	52	141 Å²	141	54%	0.536	79%	0.789	S	S	.	*			trans	-77.3	119	155.3	0	0	0	0	0	108.1	S10 Y14	S10-G12 PolarHBondContact O-N 3.23Å; G12-Y14 VanDerWaalsContact C-N 3.27Å; G12-Y14 VanDerWaalsContact O-CD2 3.25Å; G12-Y14 WeakPolarHBondContact O-CD2 3.49Å; G12-Y14 PolarHBondContact O-N 3.17Å
13	K	40	Very low	40.3	Very low	207 Å²	207	138.2 Å²	138.2	90%	0.9	78%	0.78	S	S	*	*			trans	-63.8	76.8	-176.6	-59.2	170.6	-178.4	178.9	0	111.3	S15	K13-S15 PolarHBondContact O-N 2.81Å; K13-S15 VanDerWaalsContact O-N 3.08Å
14	Y	42.3	Very low	40.1	Very low	220 Å²	220	144.8 Å²	144.8	86%	0.863	79%	0.788	S	S	*	*			trans	-80	93.5	168.1	-67.8	-75.4	0	0	0	108.2	G12 S16	G12-Y14 VanDerWaalsContact C-N 3.27Å; G12-Y14 VanDerWaalsContact O-CD2 3.25Å; G12-Y14 WeakPolarHBondContact O-CD2 3.49Å; G12-Y14 PolarHBondContact O-N 3.17Å; Y14-S16 PolarHBondContact O-N 3.42Å
15	S	38.1	Very low	39.8	Very low	108 Å²	108	151 Å²	151	76%	0.755	80%	0.797	S	S	*	*			trans	-42.6	120.7	171.4	-176.2	0	0	0	0	111	K13 R17	K13-S15 PolarHBondContact O-N 2.81Å; K13-S15 VanDerWaalsContact O-N 3.08Å; S15-R17 VanDerWaalsContact C-N 3.32Å; S15-R17 PolarHBondContact O-N 2.81Å
16	S	43.3	Very low	39.4	Very low	114 Å²	114	151.4 Å²	151.4	80%	0.797	80%	0.802	S	S	*	*			trans	-58.1	85.5	177.7	-45.2	0	0	0	0	110.8	Y14 S18	Y14-S16 PolarHBondContact O-N 3.42Å; S16-S18 PolarHBondContact O-N 2.98Å
17	R	39	Very low	38.9	Very low	230 Å²	230	150 Å²	150	87%	0.868	81%	0.805	S	S	*	*			trans	-74.4	95.4	165.3	-77.7	-169.2	175.8	-150.9	0.3	108	S15 N19	S15-R17 VanDerWaalsContact C-N 3.32Å; S15-R17 PolarHBondContact O-N 2.81Å; R17-N19 PolarHBondContact O-N 3.26Å
18	S	42.2	Very low	38.5	Very low	112 Å²	112	143.8 Å²	143.8	78%	0.783	80%	0.796	S	S	*	*			trans	-63.8	77.5	168.9	46.1	0	0	0	0	110.6	S16 A20	S16-S18 PolarHBondContact O-N 2.98Å; S18-A20 VanDerWaalsContact C-N 3.27Å; S18-A20 PolarHBondContact O-N 3.07Å
19	N	36.5	Very low	37.7	Very low	125 Å²	125	144.7 Å²	144.7	67%	0.668	80%	0.797	S	S	*	*			trans	-83	82.3	168.2	-106.2	-13.3	0	0	0	109.3	R17 H21	R17-N19 PolarHBondContact O-N 3.26Å; N19-H21 PolarHBondContact O-N 3.22Å
20	A	38.2	Very low	37	Very low	98 Å²	98	146.8 Å²	146.8	81%	0.81	80%	0.795	S	S	*	*			trans	-64	77.9	164.3	0	0	0	0	0	109.7	S18 R22	S18-A20 VanDerWaalsContact C-N 3.27Å; S18-A20 PolarHBondContact O-N 3.07Å; A20-R22 PolarHBondContact O-N 3.3Å
21	H	41.4	Very low	36.9	Very low	145 Å²	145	146.7 Å²	146.7	67%	0.671	79%	0.792	S	S	*	*			trans	-86.3	100.2	170.5	-81.7	-54.5	0	0	0	110.1	N19	N19-H21 PolarHBondContact O-N 3.22Å
22	R	37.1	Very low	37.1	Very low	235 Å²	235	148.5 Å²	148.5	89%	0.887	79%	0.788	S	S	*	*			trans	31.6	100.8	135.7	-72.8	-175.3	178.2	171.8	-0.8	115.7	A20	A20-R22 PolarHBondContact O-N 3.3Å
23	G	30.2	Very low	37.4	Very low	72 Å²	72	151.2 Å²	151.2	74%	0.742	79%	0.794	S	S	*	*				74.1	100.6	113.9	0	0	0	0	0	117.5
24	R	34	Very low	37.1	Very low	248 Å²	248	145.8 Å²	145.8	94%	0.936	78%	0.782	S	S	*	*			trans	45.8	101.4	143	-79.9	-171.6	174.5	-158.4	-0.5	117.3
25	R	38.7	Very low	37	Very low	244 Å²	244	140.4 Å²	140.4	92%	0.921	77%	0.772	S	S	*	*			trans	-132.4	146.7	130.8	-74.9	-166.9	176.7	155.4	-0.8	109.9
26	P	38.6	Very low	37.1	Very low	127 Å²	127	140.4 Å²	140.4	83%	0.825	77%	0.768	S	S	*	*			trans	-77.6	146.4	-150.6	-11.6	28.6	0	0	0	113.7
27	H	33.3	Very low	37	Very low	200 Å²	200	140.1 Å²	140.1	93%	0.926	76%	0.762	S	S	*	*			trans	-37.8	138.1	161.4	-100.9	-18.9	0	0	0	114
28	G	32.7	Very low	37.1	Very low	66 Å²	66	133.7 Å²	133.7	68%	0.68	75%	0.749	S	S	*	*			trans	170.3	72.3	167.1	0	0	0	0	0	111.1
29	D	31.1	Very low	36.9	Very low	149 Å²	149	131.1 Å²	131.1	80%	0.797	73%	0.732	S	S	*	*			trans	31.9	97.5	148.4	-54.9	-52.5	0	0	0	119.4
30	D	30.8	Very low	37.1	Very low	137 Å²	137	130.5 Å²	130.5	73%	0.733	73%	0.727	S	S	*	*				164.4	115.6	117.4	-98.4	-54	0	0	0	107.2	T32	D30-T32 PolarHBondContact O-N 3.36Å
31	P	40.1	Very low	37	Very low	117 Å²	117	133.3 Å²	133.3	76%	0.76	72%	0.724	S	S	*	*			trans	-72.6	68.4	162	34.4	-32.3	0	0	0	107.2	V33	P31-V33 PolarHBondContact O-N 3.27Å
32	T	36.4	Very low	37	Very low	112 Å²	112	132.3 Å²	132.3	69%	0.687	72%	0.719	S	S	*	*			trans	-57.3	94.9	141.6	-54.6	0	0	0	0	102.6	D30 S34	D30-T32 PolarHBondContact O-N 3.36Å; T32-S34 PolarHBondContact O-N 3.06Å
33	V	41.1	Very low	36.9	Very low	110 Å²	110	126.6 Å²	126.6	67%	0.667	70%	0.699	S	S	*	*			trans	-55.1	91.3	165.5	174.5	0	0	0	0	102.4	P31 T35	P31-V33 PolarHBondContact O-N 3.27Å; V33-T35 PolarHBondContact O-N 3.11Å; V33-T35 PolarHBondContact O-OG1 3.23Å
34	S	34.8	Very low	37.2	Very low	93 Å²	93	127.7 Å²	127.7	65%	0.65	68%	0.681	S	S	*	*			trans	-58.6	86	162.7	-74.3	0	0	0	0	102.4	T32 T36	T32-S34 PolarHBondContact O-N 3.06Å; S34-T36 PolarHBondContact O-N 3.4Å; S34-T36 PolarHBondContact O-OG1 2.89Å
35	T	39.4	Very low	37.2	Very low	107 Å²	107	118.4 Å²	118.4	66%	0.656	66%	0.657	S	S	*	*			trans	-66.8	72.7	159.6	-47	0	0	0	0	101	V33 T37	V33-T35 PolarHBondContact O-N 3.11Å; V33-T35 PolarHBondContact O-OG1 3.23Å; T35-T37 PolarHBondContact O-N 2.89Å
36	T	41	Very low	36.9	Very low	108 Å²	108	110.3 Å²	110.3	66%	0.663	64%	0.637	S	S	*	*			trans	-65.8	83.6	167.5	-44.2	0	0	0	0	101.3	S34 P38	S34-T36 PolarHBondContact O-N 3.4Å; S34-T36 PolarHBondContact O-OG1 2.89Å; T36-P38 WeakPolarHBondContact O-CD 3.03Å
37	T	40.3	Very low	36.8	Very low	108 Å²	108	108.5 Å²	108.5	66%	0.663	62%	0.618	S	S	*	*			trans	-41.9	112.4	164.7	26.5	0	0	0	0	103.5	T35 S39	T35-T37 PolarHBondContact O-N 2.89Å; T37-S39 PolarHBondContact O-N 2.78Å
38	P	40.2	Very low	36.9	Very low	94 Å²	94	105.1 Å²	105.1	61%	0.61	61%	0.607	S	S	*	*			trans	-52	119.3	-176.4	18.9	-30.4	0	0	0	105.3	T36 L40	T36-P38 WeakPolarHBondContact O-CD 3.03Å; P38-L40 PolarHBondContact O-N 3.23Å
39	S	39.5	Very low	36.8	Very low	59 Å²	59	105 Å²	105	41%	0.413	60%	0.595	S	S	.	*			trans	-57	140.8	-173.6	73.8	0	0	0	0	106.5	T37 E41 Q42 Y43	T37-S39 PolarHBondContact O-N 2.78Å; S39-E41 CarbonylContact O-C 3.59Å; S39-E41 PolarHBondContact O-N 2.82Å; S39-Q42 WeakPolarHBondContact O-CA 3.48Å; S39-Q42 WeakPolarHBondContact O-CB 3.49Å; S39-Q42 PolarHBondContact O-N 3.26Å; S39-Q42 PolarHBondContact OG-N 3.32Å; S39-Y43 PolarHBondContact O-N 3.29Å; S39-Y43 VanDerWaalsContact O-N 3.13Å
40	L	40.2	Very low	37.2	Very low	111 Å²	111	107 Å²	107	58%	0.581	60%	0.599	S	S	*	*	H	α-helix	trans	-50.1	-36.6	-178.6	-176.3	66.7	0	0	0	110.7	P38 Y43 W44	P38-L40 PolarHBondContact O-N 3.23Å; L40-Y43 PolarHBondContact O-N 3.38Å; L40-W44 PolarHBondContact O-N 3.38Å; L40-W44 VanDerWaalsContact O-N 3.13Å; L40-W44 PolarHBondContact O-NE1 2.84Å
41	E	37.1	Very low	37.2	Very low	157 Å²	157	107.6 Å²	107.6	73%	0.734	60%	0.603	S	S	*	*	H	α-helix	trans	-53.8	-46.9	170	-70.7	-95.2	132.2	0	0	113.5	S39 W44 A45	S39-E41 CarbonylContact O-C 3.59Å; S39-E41 PolarHBondContact O-N 2.82Å; E41-W44 PolarHBondContact O-N 2.82Å; E41-A45 WeakPolarHBondContact O-CB 3.47Å; E41-A45 PolarHBondContact O-N 3.26Å
42	Q	39.5	Very low	36.7	Very low	124 Å²	124	104.4 Å²	104.4	58%	0.579	58%	0.582	S	S	*	*	H	α-helix	trans	-70.8	-33.1	-178.2	-155	164.5	13.5	0	0	112.3	S39 A45 C46	S39-Q42 WeakPolarHBondContact O-CA 3.48Å; S39-Q42 WeakPolarHBondContact O-CB 3.49Å; S39-Q42 PolarHBondContact O-N 3.26Å; S39-Q42 PolarHBondContact OG-N 3.32Å; Q42-A45 PolarHBondContact O-N 3.01Å; Q42-C46 WeakPolarHBondContact O-CB 3.39Å; Q42-C46 PolarHBondContact O-N 3.06Å
43	Y	35.6	Very low	36.4	Very low	116 Å²	116	102.8 Å²	102.8	46%	0.455	58%	0.58	S	S	.	*	H	α-helix	trans	-63.1	-43.1	170.1	-179.5	-96.5	0	0	0	111.3	S39 L40 C46 M47	S39-Y43 PolarHBondContact O-N 3.29Å; S39-Y43 VanDerWaalsContact O-N 3.13Å; L40-Y43 PolarHBondContact O-N 3.38Å; Y43-C46 WeakPolarHBondContact O-CB 3.49Å; Y43-C46 PolarHBondContact O-N 2.93Å; Y43-M47 HydrophobicContact CE1-CE 4.02Å; Y43-M47 HydrophobicContact CE1-CG 4.15Å; Y43-M47 HydrophobicContact CE1-SD 4.12Å; Y43-M47 PolarHBondContact O-N 3.21Å
44	W	36.7	Very low	36	Very low	95 Å²	95	102.7 Å²	102.7	36%	0.36	58%	0.58	S	S	.	*	H	α-helix	trans	-69.9	-39.9	175.4	-62.8	119.3	0	0	0	112.5	L40 E41 C46 M47 L48	L40-W44 PolarHBondContact O-N 3.38Å; L40-W44 VanDerWaalsContact O-N 3.13Å; L40-W44 PolarHBondContact O-NE1 2.84Å; E41-W44 PolarHBondContact O-N 2.82Å; W44-C46 PolarHBondContact O-N 3.07Å; W44-M47 HydrophobicContact CE3-CE 3.52Å; W44-M47 HydrophobicContact CH2-CE 4.13Å; W44-M47 HydrophobicContact CZ3-CE 3.14Å; W44-M47 PolarHBondContact O-N 3.3Å; W44-M47 VanDerWaalsContact O-N 3.15Å; W44-L48 HydrophobicContact CB-CD1 4.31Å; W44-L48 WeakPolarHBondContact O-CB 3.38Å; W44-L48 VanDerWaalsContact O-CG 3.25Å; W44-L48 WeakPolarHBondContact O-CG 3.41Å; W44-L48 PolarHBondContact O-N 3Å
45	A	34.5	Very low	35.7	Very low	53 Å²	53	103.4 Å²	103.4	44%	0.438	58%	0.58	S	S	.	*	H	α-helix	trans	-59	-34.8	174.2	0	0	0	0	0	110.8	E41 Q42 S49	E41-A45 WeakPolarHBondContact O-CB 3.47Å; E41-A45 PolarHBondContact O-N 3.26Å; Q42-A45 PolarHBondContact O-N 3.01Å; A45-S49 WeakPolarHBondContact O-CB 3.18Å; A45-S49 PolarHBondContact O-N 3.36Å; A45-S49 PolarHBondContact O-OG 3.3Å
46	C	32.3	Very low	35.4	Very low	74 Å²	74	103.6 Å²	103.6	50%	0.5	58%	0.582	S	S	.	*	H	α-helix	trans	-67.6	-51.2	172.9	-158.7	0	0	0	0	111.1	Q42 Y43 W44 L48 S49 C52	Q42-C46 WeakPolarHBondContact O-CB 3.39Å; Q42-C46 PolarHBondContact O-N 3.06Å; Y43-C46 WeakPolarHBondContact O-CB 3.49Å; Y43-C46 PolarHBondContact O-N 2.93Å; W44-C46 PolarHBondContact O-N 3.07Å; C46-L48 VanDerWaalsContact C-N 3.34Å; C46-L48 PolarHBondContact O-N 3.1Å; C46-S49 WeakPolarHBondContact O-CB 3.4Å; C46-S49 PolarHBondContact O-N 2.91Å; C46-C52 VanDerWaalsContact C-SG 3.5Å; C46-C52 PolarHBondContact O-SG 3.44Å
47	M	36.6	Very low	34.7	Very low	88 Å²	88	102.9 Å²	102.9	43%	0.433	58%	0.581	S	S	.	*	H	α-helix	trans	-66.7	-30.4	179.4	-73.8	-138.8	-53.5	0	0	114.7	Y43 W44	Y43-M47 HydrophobicContact CE1-CE 4.02Å; Y43-M47 HydrophobicContact CE1-CG 4.15Å; Y43-M47 HydrophobicContact CE1-SD 4.12Å; Y43-M47 PolarHBondContact O-N 3.21Å; W44-M47 HydrophobicContact CE3-CE 3.52Å; W44-M47 HydrophobicContact CH2-CE 4.13Å; W44-M47 HydrophobicContact CZ3-CE 3.14Å; W44-M47 PolarHBondContact O-N 3.3Å; W44-M47 VanDerWaalsContact O-N 3.15Å
48	L	35.8	Very low	34.3	Very low	130 Å²	130	102.4 Å²	102.4	68%	0.681	59%	0.588	S	S	*	*	H	α-helix	trans	-86.3	-22.6	177.6	-67.9	170.8	0	0	0	112.1	W44 C46 H50	W44-L48 HydrophobicContact CB-CD1 4.31Å; W44-L48 WeakPolarHBondContact O-CB 3.38Å; W44-L48 VanDerWaalsContact O-CG 3.25Å; W44-L48 WeakPolarHBondContact O-CG 3.41Å; W44-L48 PolarHBondContact O-N 3Å; C46-L48 VanDerWaalsContact C-N 3.34Å; C46-L48 PolarHBondContact O-N 3.1Å; L48-H50 PolarHBondContact O-N 3.03Å; L48-H50 VanDerWaalsContact O-N 3.16Å
49	S	30.8	Very low	33.9	Very low	62 Å²	62	104.4 Å²	104.4	43%	0.434	59%	0.593	S	S	.	*	S	Bend	trans	-60.4	121.1	166.4	-71.8	0	0	0	0	107.1	A45 C46 D51 C52	A45-S49 WeakPolarHBondContact O-CB 3.18Å; A45-S49 PolarHBondContact O-N 3.36Å; A45-S49 PolarHBondContact O-OG 3.3Å; C46-S49 WeakPolarHBondContact O-CB 3.4Å; C46-S49 PolarHBondContact O-N 2.91Å; S49-D51 PolarHBondContact O-N 2.9Å; S49-C52 PolarHBondContact O-N 2.81Å
50	H	38.2	Very low	33.3	Very low	192 Å²	192	106 Å²	106	89%	0.889	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52	-11.9	-178.2	-103.8	-54.5	0	0	0	114.2	L48	L48-H50 PolarHBondContact O-N 3.03Å; L48-H50 VanDerWaalsContact O-N 3.16Å
51	D	31.5	Very low	32.8	Very low	150 Å²	150	107.4 Å²	107.4	80%	0.802	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-4.6	177.3	-61.8	-43.3	0	0	0	114.8	S49 A53	S49-D51 PolarHBondContact O-N 2.9Å; D51-A53 PolarHBondContact O-N 2.75Å
52	C	29.9	Very low	32.4	Very low	50 Å²	50	104.9 Å²	104.9	34%	0.338	61%	0.607	S	S	.	*			trans	-72.4	58.6	157.2	-82.4	0	0	0	0	109.8	C46 S49 V54	C46-C52 VanDerWaalsContact C-SG 3.5Å; C46-C52 PolarHBondContact O-SG 3.44Å; S49-C52 PolarHBondContact O-N 2.81Å; C52-V54 HydrophobicContact CB-CG2 4.48Å; C52-V54 PolarHBondContact O-N 3.42Å
53	A	28.8	Very low	32	Very low	77 Å²	77	107.6 Å²	107.6	64%	0.636	62%	0.62	S	S	*	*			trans	-58.1	80.2	139.2	0	0	0	0	0	105.5	D51 T55	D51-A53 PolarHBondContact O-N 2.75Å; A53-T55 VanDerWaalsContact C-N 3.26Å; A53-T55 PolarHBondContact O-N 2.91Å
54	V	34.5	Very low	31.7	Very low	109 Å²	109	112.6 Å²	112.6	66%	0.661	64%	0.638	S	S	*	*			trans	-46.6	105.5	169.8	171.3	0	0	0	0	103.9	C52 T56	C52-V54 HydrophobicContact CB-CG2 4.48Å; C52-V54 PolarHBondContact O-N 3.42Å; V54-T56 PolarHBondContact O-N 3.46Å
55	T	28.3	Very low	31.3	Very low	108 Å²	108	112.4 Å²	112.4	66%	0.663	65%	0.651	S	S	*	*			trans	-58.9	97.6	-179.3	49	0	0	0	0	104.8	A53 S57	A53-T55 VanDerWaalsContact C-N 3.26Å; A53-T55 PolarHBondContact O-N 2.91Å; T55-S57 PolarHBondContact O-N 3.37Å
56	T	32.4	Very low	31.3	Very low	111 Å²	111	116.1 Å²	116.1	68%	0.681	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-63.7	11.4	173.2	45.3	0	0	0	0	111.5	V54 A58 L59	V54-T56 PolarHBondContact O-N 3.46Å; T56-A58 PolarHBondContact O-N 3.41Å; T56-L59 CarbonylContact O-C 3.56Å; T56-L59 PolarHBondContact O-N 3.37Å
57	S	26.4	Very low	31.1	Very low	92 Å²	92	116.6 Å²	116.6	64%	0.643	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-64.4	-17.3	-179.5	-44.8	0	0	0	0	114.1	T55	T55-S57 PolarHBondContact O-N 3.37Å
58	A	31.9	Very low	30.9	Very low	98 Å²	98	117.4 Å²	117.4	81%	0.81	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-96.2	-2.2	172.8	0	0	0	0	0	114	T56	T56-A58 PolarHBondContact O-N 3.41Å
59	L	32.1	Very low	30.9	Very low	137 Å²	137	118.6 Å²	118.6	72%	0.717	70%	0.698	S	S	*	*			trans	-118.2	32.9	173.2	-78.5	165.7	0	0	0	110.9	T56 I61	T56-L59 CarbonylContact O-C 3.56Å; T56-L59 PolarHBondContact O-N 3.37Å; L59-I61 PolarHBondContact O-N 2.82Å
60	S	25.6	Very low	31.2	Very low	93 Å²	93	123.8 Å²	123.8	65%	0.65	72%	0.715	S	S	*	*			trans	-65.2	72.4	159	51.2	0	0	0	0	108.7	P62	S60-P62 WeakPolarHBondContact O-CD 3.2Å; S60-P62 VanDerWaalsContact O-N 3.08Å
61	I	30.5	Very low	31.1	Very low	140 Å²	140	122.8 Å²	122.8	72%	0.718	71%	0.71	S	S	*	*			trans	-51.3	117.4	155.5	-60.9	170	0	0	0	103.7	L59 H63	L59-I61 PolarHBondContact O-N 2.82Å; I61-H63 PolarHBondContact O-N 2.89Å; I61-H63 VanDerWaalsContact O-N 3.09Å
62	P	28.3	Very low	31.1	Very low	103 Å²	103	126.9 Å²	126.9	67%	0.669	72%	0.715	S	S	*	*			trans	-53.8	127.3	-175.2	18.7	-29.7	0	0	0	107.5	S60 R64	S60-P62 WeakPolarHBondContact O-CD 3.2Å; S60-P62 VanDerWaalsContact O-N 3.08Å; P62-R64 PolarHBondContact O-N 3.33Å
63	H	31.4	Very low	31.3	Very low	182 Å²	182	129.4 Å²	129.4	84%	0.843	73%	0.733	S	S	*	*			trans	-63.9	66.3	-179.2	-163.4	-84.5	0	0	0	109.5	I61 S65	I61-H63 PolarHBondContact O-N 2.89Å; I61-H63 VanDerWaalsContact O-N 3.09Å; H63-S65 PolarHBondContact O-N 3.49Å
64	R	28.2	Very low	31.4	Very low	221 Å²	221	129.8 Å²	129.8	83%	0.834	74%	0.744	S	S	*	*			trans	-69.4	85.4	156	-74.4	-159.3	178.9	-163.1	1.6	104.7	P62 V66	P62-R64 PolarHBondContact O-N 3.33Å; R64-V66 WeakPolarHBondContact O-CG2 3.39Å; R64-V66 PolarHBondContact O-N 3.1Å
65	S	30.1	Very low	31.1	Very low	91 Å²	91	135 Å²	135	64%	0.636	75%	0.752	S	S	*	*			trans	-8.5	90	153.2	28.9	0	0	0	0	111.8	H63 A67	H63-S65 PolarHBondContact O-N 3.49Å; S65-A67 PolarHBondContact O-N 3.08Å
66	V	33.1	Very low	31.1	Very low	131 Å²	131	136 Å²	136	79%	0.794	76%	0.764	S	S	*	*			trans	-77.6	52.2	162.6	-159.3	0	0	0	0	107	R64 S68	R64-V66 WeakPolarHBondContact O-CG2 3.39Å; R64-V66 PolarHBondContact O-N 3.1Å; V66-S68 VanDerWaalsContact C-N 3.32Å; V66-S68 PolarHBondContact O-N 3.48Å
67	A	28.7	Very low	31	Very low	83 Å²	83	138.9 Å²	138.9	69%	0.686	77%	0.771	S	S	*	*			trans	-90.9	72.9	171.9	0	0	0	0	0	107	S65	S65-A67 PolarHBondContact O-N 3.08Å
68	S	33.1	Very low	31.1	Very low	106 Å²	106	139.7 Å²	139.7	74%	0.741	78%	0.777	S	S	*	*			trans	170.6	55.4	153.4	61.9	0	0	0	0	112.1	V66	V66-S68 VanDerWaalsContact C-N 3.32Å; V66-S68 PolarHBondContact O-N 3.48Å
69	L	34.3	Very low	31.1	Very low	155 Å²	155	141.2 Å²	141.2	81%	0.812	78%	0.777	S	S	*	*			trans	-117.6	46.2	150.5	-86.1	166.8	0	0	0	108.8
70	H	37.6	Very low	31	Very low	171 Å²	171	140.1 Å²	140.1	79%	0.792	78%	0.778	S	S	*	*	S	Bend	trans	-93	-11	169.4	-170.8	51.8	0	0	0	113.4
71	E	36.7	Very low	31.2	Very low	170 Å²	170	141.1 Å²	141.1	79%	0.794	78%	0.782	S	S	*	*			trans	-137.4	84.7	-176.4	-73.8	-175.7	147.7	0	0	111
72	R	32	Very low	31.2	Very low	237 Å²	237	139.7 Å²	139.7	89%	0.894	79%	0.785	S	S	*	*	S	Bend	trans	-153.5	96.8	146.8	-113.5	164.7	-178.8	-171.4	-0.4	111.7
73	S	33.3	Very low	31.2	Very low	103 Å²	103	141.8 Å²	141.8	72%	0.72	79%	0.79	S	S	*	*			trans	79.2	79.9	142.2	-152.8	0	0	0	0	117.4	R75	S73-R75 PolarHBondContact O-N 3.29Å
74	G	31.5	Very low	31.2	Very low	85 Å²	85	144.2 Å²	144.2	88%	0.876	79%	0.792	S	S	*	*				49.9	29.9	93.7	0	0	0	0	0	119.2
75	R	28	Very low	31	Very low	218 Å²	218	143.7 Å²	143.7	82%	0.823	79%	0.79	S	S	*	*			trans	-106	100.5	163.6	-73.2	-172.3	169	-166.9	-3.4	109.3	S73 M77	S73-R75 PolarHBondContact O-N 3.29Å; R75-M77 VanDerWaalsContact C-N 3.28Å; R75-M77 PolarHBondContact O-N 3.21Å
76	S	27.7	Very low	31	Very low	130 Å²	130	144.3 Å²	144.3	91%	0.909	80%	0.8	S	S	*	*			trans	-50.9	92.6	163.4	-79.3	0	0	0	0	109.4	S78	S76-S78 PolarHBondContact O-N 3.3Å
77	M	30.6	Very low	30.7	Very low	170 Å²	170	145.9 Å²	145.9	84%	0.837	80%	0.799	S	S	*	*			trans	-86.7	101.6	160.9	-67.4	-162.9	-58.2	0	0	105.6	R75 T79	R75-M77 VanDerWaalsContact C-N 3.28Å; R75-M77 PolarHBondContact O-N 3.21Å; M77-T79 PolarHBondContact O-N 3.19Å; M77-T79 VanDerWaalsContact O-N 3.17Å
78	S	28.5	Very low	30.8	Very low	109 Å²	109	153.6 Å²	153.6	76%	0.762	81%	0.81	S	S	*	*			trans	-34.6	118.6	166.1	30.8	0	0	0	0	110.2	S76 P80	S76-S78 PolarHBondContact O-N 3.3Å; S78-P80 WeakPolarHBondContact O-CD 2.89Å; S78-P80 VanDerWaalsContact O-N 3.14Å
79	T	31.6	Very low	30.6	Very low	131 Å²	131	151.9 Å²	151.9	80%	0.804	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-46	119	167.2	36.7	0	0	0	0	108.7	M77	M77-T79 PolarHBondContact O-N 3.19Å; M77-T79 VanDerWaalsContact O-N 3.17Å
80	P	30.6	Very low	30.3	Very low	113 Å²	113	151 Å²	151	73%	0.734	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-60	140	-180	22.3	-30.9	0	0	0	109.4	S78 S82	S78-P80 WeakPolarHBondContact O-CD 2.89Å; S78-P80 VanDerWaalsContact O-N 3.14Å; P80-S82 PolarHBondContact O-N 3.19Å
81	P	28.4	Very low	30.1	Very low	115 Å²	115	148.3 Å²	148.3	75%	0.747	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-59.7	127.7	-178.5	23.3	-30.8	0	0	0	109.5	D83	P81-D83 PolarHBondContact O-N 3.42Å
82	S	31.9	Very low	29.9	Very low	110 Å²	110	142.8 Å²	142.8	77%	0.769	78%	0.779	S	S	*	*			trans	-75.3	64.7	-177.4	-159.5	0	0	0	0	110.2	P80 R84	P80-S82 PolarHBondContact O-N 3.19Å; S82-R84 PolarHBondContact O-N 3.36Å
83	D	27.4	Very low	29.8	Very low	146 Å²	146	138.6 Å²	138.6	78%	0.781	77%	0.767	S	S	*	*			trans	-88.2	93.8	172.5	-94.7	-38.1	0	0	0	110.4	P81 R85	P81-D83 PolarHBondContact O-N 3.42Å; D83-R85 PolarHBondContact O-N 3.41Å
84	R	31.6	Very low	29.6	Very low	234 Å²	234	138 Å²	138	88%	0.883	76%	0.759	S	S	*	*			trans	-62.4	49.8	172.8	-74	179.4	164.1	172.6	-3.1	113.9	S82	S82-R84 PolarHBondContact O-N 3.36Å
85	R	24.7	Very low	29.6	Very low	210 Å²	210	136.7 Å²	136.7	79%	0.792	74%	0.741	S	S	*	*			trans	-134.7	37.7	171.8	-78.7	-170.9	175.8	-146.1	1.8	113.3	D83 Q87	D83-R85 PolarHBondContact O-N 3.41Å; R85-Q87 PolarHBondContact O-N 2.72Å
86	A	30.1	Very low	29.7	Very low	103 Å²	103	129.4 Å²	129.4	85%	0.851	72%	0.723	S	S	*	*			trans	-70.9	86.2	149.5	0	0	0	0	0	107.1
87	Q	27.2	Very low	30.1	Very low	164 Å²	164	127 Å²	127	77%	0.766	70%	0.699	S	S	*	*			trans	-50.2	138.4	-177.1	-65.7	172.9	25.8	0	0	110.3	R85 G89	R85-Q87 PolarHBondContact O-N 2.72Å; Q87-G89 PolarHBondContact O-N 2.93Å
88	R	29.2	Very low	30.2	Very low	246 Å²	246	120.9 Å²	120.9	93%	0.928	67%	0.672	S	S	*	*			trans	-55	66.1	170.6	-67.2	174.6	170.7	179.2	-4.3	112.2	Q90	R88-Q90 VanDerWaalsContact C-N 3.35Å; R88-Q90 PolarHBondContact O-N 2.92Å
89	G	29.6	Very low	30.3	Very low	70 Å²	70	122.2 Å²	122.2	72%	0.722	66%	0.664	S	S	*	*			trans	-74.9	84.7	173.7	0	0	0	0	0	111.1	Q87	Q87-G89 PolarHBondContact O-N 2.93Å
90	Q	27.2	Very low	30.2	Very low	136 Å²	136	121.9 Å²	121.9	64%	0.636	65%	0.654	S	S	*	*			trans	57.6	82.5	153.3	-64.5	-81.7	-33.5	0	0	116.7	R88 S92 F93	R88-Q90 VanDerWaalsContact C-N 3.35Å; R88-Q90 PolarHBondContact O-N 2.92Å; Q90-S92 WeakPolarHBondContact CB-OG 3.46Å; Q90-S92 PolarHBondContact O-N 2.92Å; Q90-S92 VanDerWaalsContact O-N 3.07Å; Q90-S92 PolarHBondContact OE1-OG 3.34Å; Q90-F93 PolarHBondContact O-N 3.38Å
91	P	33.3	Very low	30.3	Very low	114 Å²	114	123 Å²	123	74%	0.74	65%	0.647	S	S	*	*	H	α-helix	trans	-56.7	-16.6	164.7	22.5	-32.7	0	0	0	114	A95	P91-A95 WeakPolarHBondContact O-CB 3.38Å; P91-A95 PolarHBondContact O-N 2.92Å; P91-A95 VanDerWaalsContact O-N 3.07Å
92	S	32.7	Very low	30.6	Very low	55 Å²	55	124.9 Å²	124.9	39%	0.385	64%	0.644	S	S	.	*	H	α-helix	trans	-65.2	-31.7	175.8	40.4	0	0	0	0	114.1	Q90 S96	Q90-S92 WeakPolarHBondContact CB-OG 3.46Å; Q90-S92 PolarHBondContact O-N 2.92Å; Q90-S92 VanDerWaalsContact O-N 3.07Å; Q90-S92 PolarHBondContact OE1-OG 3.34Å; S92-S96 WeakPolarHBondContact O-CA 3.2Å; S92-S96 WeakPolarHBondContact O-CB 3.46Å; S92-S96 PolarHBondContact O-N 3.49Å
93	F	29.9	Very low	30.6	Very low	148 Å²	148	126.2 Å²	126.2	65%	0.649	64%	0.638	S	S	*	*	H	α-helix	trans	-71.1	-45.1	-176.9	-168.4	-105	0	0	0	111.5	Q90 S96 I97	Q90-F93 PolarHBondContact O-N 3.38Å; F93-S96 PolarHBondContact O-N 3.45Å; F93-I97 HydrophobicContact CD1-CD1 3.83Å; F93-I97 HydrophobicContact CE1-CD1 3.52Å; F93-I97 HydrophobicContact CZ-CD1 4.11Å; F93-I97 WeakPolarHBondContact O-CG1 3.37Å; F93-I97 PolarHBondContact O-N 3.13Å
94	V	30.1	Very low	30.6	Very low	90 Å²	90	122 Å²	122	55%	0.545	62%	0.618	S	S	.	*	H	α-helix	trans	-75.1	-37.3	177	-176.1	0	0	0	0	111.1	S96 I97 C98	V94-S96 PolarHBondContact O-N 3Å; V94-I97 PolarHBondContact O-N 3.42Å; V94-C98 WeakPolarHBondContact O-CB 3.47Å; V94-C98 PolarHBondContact O-N 2.99Å; V94-C98 PolarHBondContact O-SG 2.96Å; V94-C98 VanDerWaalsContact O-SG 3.32Å
95	A	31.4	Very low	30.7	Very low	59 Å²	59	116.2 Å²	116.2	49%	0.488	61%	0.61	S	S	.	*	H	α-helix	trans	-61.9	-35.5	172.4	0	0	0	0	0	111.7	P91 K99	P91-A95 WeakPolarHBondContact O-CB 3.38Å; P91-A95 PolarHBondContact O-N 2.92Å; P91-A95 VanDerWaalsContact O-N 3.07Å; A95-K99 WeakPolarHBondContact O-CB 3.35Å; A95-K99 PolarHBondContact O-N 2.79Å
96	S	30.1	Very low	31	Very low	64 Å²	64	111.1 Å²	111.1	45%	0.448	60%	0.602	S	S	.	*	H	α-helix	trans	-68.6	-42.3	174.8	-178.3	0	0	0	0	111.7	S92 F93 V94 K99 H100	S92-S96 WeakPolarHBondContact O-CA 3.2Å; S92-S96 WeakPolarHBondContact O-CB 3.46Å; S92-S96 PolarHBondContact O-N 3.49Å; F93-S96 PolarHBondContact O-N 3.45Å; V94-S96 PolarHBondContact O-N 3Å; S96-K99 PolarHBondContact O-N 3.41Å; S96-H100 WeakPolarHBondContact O-CB 3.43Å; S96-H100 PolarHBondContact O-N 2.9Å
97	I	36.4	Very low	31.1	Very low	81 Å²	81	110.9 Å²	110.9	42%	0.415	59%	0.586	S	S	.	*	H	α-helix	trans	-64.4	-43.5	174.1	-66.5	167.8	0	0	0	110.8	F93 V94 K99 H100 F101	F93-I97 HydrophobicContact CD1-CD1 3.83Å; F93-I97 HydrophobicContact CE1-CD1 3.52Å; F93-I97 HydrophobicContact CZ-CD1 4.11Å; F93-I97 WeakPolarHBondContact O-CG1 3.37Å; F93-I97 PolarHBondContact O-N 3.13Å; V94-I97 PolarHBondContact O-N 3.42Å; I97-K99 VanDerWaalsContact C-N 3.33Å; I97-K99 PolarHBondContact O-N 2.94Å; I97-H100 PolarHBondContact O-N 3.16Å; I97-F101 WeakPolarHBondContact O-CB 3.33Å; I97-F101 PolarHBondContact O-N 2.89Å
98	C	31.5	Very low	31.4	Very low	40 Å²	40	105.7 Å²	105.7	27%	0.27	56%	0.564	S	S	.	*	H	α-helix	trans	-61.7	-42.5	175.4	-71.3	0	0	0	0	111	V94 F101 F102	V94-C98 WeakPolarHBondContact O-CB 3.47Å; V94-C98 PolarHBondContact O-N 2.99Å; V94-C98 PolarHBondContact O-SG 2.96Å; V94-C98 VanDerWaalsContact O-SG 3.32Å; C98-F101 PolarHBondContact O-N 3.42Å; C98-F102 WeakPolarHBondContact O-CB 3.39Å; C98-F102 WeakPolarHBondContact O-CD2 3.44Å; C98-F102 PolarHBondContact O-N 3.03Å
99	K	30.7	Very low	31.7	Very low	137 Å²	137	97.6 Å²	97.6	60%	0.596	54%	0.542	S	S	*	.	H	α-helix	trans	-64.2	-42.6	174.9	-123.1	179.9	-178.1	-179.1	0	111.2	A95 S96 I97 F102 Q103	A95-K99 WeakPolarHBondContact O-CB 3.35Å; A95-K99 PolarHBondContact O-N 2.79Å; S96-K99 PolarHBondContact O-N 3.41Å; I97-K99 VanDerWaalsContact C-N 3.33Å; I97-K99 PolarHBondContact O-N 2.94Å; K99-F102 PolarHBondContact O-N 3.43Å; K99-Q103 WeakPolarHBondContact O-CB 3.5Å; K99-Q103 PolarHBondContact O-N 3.39Å
100	H	30.4	Very low	31.9	Very low	125 Å²	125	99.2 Å²	99.2	58%	0.579	53%	0.531	S	S	*	.	H	α-helix	trans	-62.5	-45	176.4	-101.6	-26.6	0	0	0	111.6	S96 I97 F102 Q103 T104	S96-H100 WeakPolarHBondContact O-CB 3.43Å; S96-H100 PolarHBondContact O-N 2.9Å; I97-H100 PolarHBondContact O-N 3.16Å; H100-F102 VanDerWaalsContact C-N 3.34Å; H100-F102 PolarHBondContact O-N 3.04Å; H100-Q103 PolarHBondContact O-N 3.07Å; H100-T104 WeakPolarHBondContact O-CB 3.29Å; H100-T104 WeakPolarHBondContact O-CG2 3.5Å; H100-T104 PolarHBondContact O-N 3.12Å; H100-T104 PolarHBondContact O-OG1 2.99Å
101	F	32.7	Very low	32.2	Very low	135 Å²	135	98.6 Å²	98.6	59%	0.592	53%	0.526	S	S	*	.	H	α-helix	trans	-69.5	-30.1	179.4	-120.2	-87.5	0	0	0	113.5	I97 C98	I97-F101 WeakPolarHBondContact O-CB 3.33Å; I97-F101 PolarHBondContact O-N 2.89Å; C98-F101 PolarHBondContact O-N 3.42Å
102	F	34.9	Very low	32.3	Very low	156 Å²	156	94.3 Å²	94.3	68%	0.684	50%	0.499	S	S	*	.	H	α-helix	trans	-81.9	-28.7	173.3	-87.7	-86.4	0	0	0	113.2	C98 K99 H100	C98-F102 WeakPolarHBondContact O-CB 3.39Å; C98-F102 WeakPolarHBondContact O-CD2 3.44Å; C98-F102 PolarHBondContact O-N 3.03Å; K99-F102 PolarHBondContact O-N 3.43Å; H100-F102 VanDerWaalsContact C-N 3.34Å; H100-F102 PolarHBondContact O-N 3.04Å
103	Q	31.7	Very low	32.5	Very low	137 Å²	137	101.5 Å²	101.5	64%	0.64	52%	0.518	S	S	*	.	H	α-helix	trans	-94.3	-11.5	179.5	-84.4	178.6	-42.5	0	0	114.8	K99 H100 P105	K99-Q103 WeakPolarHBondContact O-CB 3.5Å; K99-Q103 PolarHBondContact O-N 3.39Å; H100-Q103 PolarHBondContact O-N 3.07Å; Q103-P105 WeakPolarHBondContact O-CD 3.23Å
104	T	27.6	Very low	32.8	Very low	59 Å²	59	104.3 Å²	104.3	36%	0.362	52%	0.524	S	S	.	.			trans	-92.9	91.8	163.6	59.7	0	0	0	0	108.3	H100 V106	H100-T104 WeakPolarHBondContact O-CB 3.29Å; H100-T104 WeakPolarHBondContact O-CG2 3.5Å; H100-T104 PolarHBondContact O-N 3.12Å; H100-T104 PolarHBondContact O-OG1 2.99Å; T104-V106 HydrophobicContact CG2-CG2 4.39Å; T104-V106 PolarHBondContact O-N 3.38Å
105	P	32.5	Very low	33.2	Very low	111 Å²	111	101.8 Å²	101.8	72%	0.721	51%	0.513	S	S	*	.			trans	-69.5	20.4	162.2	33.5	-35.8	0	0	0	111.2	Q103 N107	Q103-P105 WeakPolarHBondContact O-CD 3.23Å; P105-N107 PolarHBondContact O-N 3.49Å
106	V	31.4	Very low	33.1	Very low	104 Å²	104	101.8 Å²	101.8	63%	0.63	52%	0.518	S	S	*	.	S	Bend	trans	-75.2	95.1	-173.6	-172.3	0	0	0	0	107.7	T104 N108	T104-V106 HydrophobicContact CG2-CG2 4.39Å; T104-V106 PolarHBondContact O-N 3.38Å; V106-N108 PolarHBondContact O-N 3.31Å
107	N	32.8	Very low	33.3	Very low	97 Å²	97	101.6 Å²	101.6	52%	0.519	51%	0.51	S	S	.	.			trans	55.8	51.8	160	-69.3	-28.1	0	0	0	115.4	P105 T109 E110	P105-N107 PolarHBondContact O-N 3.49Å; N107-T109 PolarHBondContact O-N 3.42Å; N107-E110 HydrophobicContact CB-CB 4.28Å; N107-E110 WeakPolarHBondContact O-CB 3.39Å; N107-E110 PolarHBondContact O-N 3.34Å
108	N	32.9	Very low	33.4	Very low	55 Å²	55	101.2 Å²	101.2	29%	0.294	51%	0.512	S	S	.	.	H	α-helix	trans	-54	-19.4	162.8	-69.2	-45.1	0	0	0	113	V106 E110 S112 H119	V106-N108 PolarHBondContact O-N 3.31Å; N108-E110 VanDerWaalsContact C-N 3.26Å; N108-E110 PolarHBondContact O-N 3.24Å; N108-S112 VanDerWaalsContact O-CB 3.24Å; N108-S112 WeakPolarHBondContact O-CB 3.16Å; N108-S112 PolarHBondContact O-N 3.48Å; N108-S112 PolarHBondContact O-OG 3.01Å; N108-H119 WeakPolarHBondContact CB-NE2 3.3Å
109	T	36	Very low	33.6	Very low	77 Å²	77	103.5 Å²	103.5	47%	0.472	52%	0.519	S	S	.	.	H	α-helix	trans	-59.2	-36.9	168.9	-32.2	0	0	0	0	112	N107 R113	N107-T109 PolarHBondContact O-N 3.42Å; T109-R113 WeakPolarHBondContact O-CB 3.21Å; T109-R113 WeakPolarHBondContact O-CG 3.24Å; T109-R113 PolarHBondContact O-N 3.05Å
110	E	34.3	Very low	34	Very low	103 Å²	103	103.2 Å²	103.2	48%	0.481	52%	0.518	S	S	.	.	H	α-helix	trans	-80.3	-39	-175.1	-148.9	-178.2	177.6	0	0	112	N107 N108 R113 R114	N107-E110 HydrophobicContact CB-CB 4.28Å; N107-E110 WeakPolarHBondContact O-CB 3.39Å; N107-E110 PolarHBondContact O-N 3.34Å; N108-E110 VanDerWaalsContact C-N 3.26Å; N108-E110 PolarHBondContact O-N 3.24Å; E110-R113 PolarHBondContact O-N 3.31Å; E110-R114 WeakPolarHBondContact O-CB 3.31Å; E110-R114 PolarHBondContact O-N 2.79Å
111	F	33.9	Very low	34.5	Very low	123 Å²	123	98.7 Å²	98.7	54%	0.539	50%	0.502	S	S	.	.	H	α-helix	trans	-67.2	-42.1	171.6	-165.4	-94.5	0	0	0	111.4	R113 R114 A115	F111-R113 VanDerWaalsContact C-N 3.31Å; F111-R113 PolarHBondContact O-N 3.04Å; F111-R114 PolarHBondContact O-N 3.13Å; F111-A115 HydrophobicContact CE1-CB 4.28Å; F111-A115 VanDerWaalsContact O-CB 3.31Å; F111-A115 WeakPolarHBondContact O-CB 3.2Å; F111-A115 PolarHBondContact O-N 2.76Å
112	S	34.4	Very low	34.9	Very low	25 Å²	25	94.7 Å²	94.7	18%	0.175	49%	0.491	C	S	.	.	H	α-helix	trans	-63.4	-36.4	174.3	-62.7	0	0	0	0	112.1	N108 G116 F117 H119	N108-S112 VanDerWaalsContact O-CB 3.24Å; N108-S112 WeakPolarHBondContact O-CB 3.16Å; N108-S112 PolarHBondContact O-N 3.48Å; N108-S112 PolarHBondContact O-OG 3.01Å; S112-G116 WeakPolarHBondContact O-CA 3.25Å; S112-G116 PolarHBondContact O-N 3.41Å; S112-F117 PolarHBondContact O-N 2.75Å; S112-H119 PolarHBondContact OG-CD2 3.46Å
113	R	37	Very low	35.2	Very low	205 Å²	205	94.5 Å²	94.5	77%	0.774	49%	0.485	S	S	*	.	H	α-helix	trans	-72.3	-43	175.6	-80.3	-179.7	-171.5	-173.1	5.1	112.7	T109 E110 F111	T109-R113 WeakPolarHBondContact O-CB 3.21Å; T109-R113 WeakPolarHBondContact O-CG 3.24Å; T109-R113 PolarHBondContact O-N 3.05Å; E110-R113 PolarHBondContact O-N 3.31Å; F111-R113 VanDerWaalsContact C-N 3.31Å; F111-R113 PolarHBondContact O-N 3.04Å
114	R	36.7	Very low	35.8	Very low	208 Å²	208	90.7 Å²	90.7	79%	0.785	47%	0.472	S	S	*	.	H	α-helix	trans	-71.7	-35.9	-178.4	-84.4	-172.2	173.5	167.8	2.8	113	E110 F111	E110-R114 WeakPolarHBondContact O-CB 3.31Å; E110-R114 PolarHBondContact O-N 2.79Å; F111-R114 PolarHBondContact O-N 3.13Å
115	A	37.7	Very low	36.7	Very low	37 Å²	37	89.7 Å²	89.7	31%	0.306	46%	0.464	S	S	.	.	H	α-helix	trans	-96.4	-1.7	-178	0	0	0	0	0	112.6	F111 F117	F111-A115 HydrophobicContact CE1-CB 4.28Å; F111-A115 VanDerWaalsContact O-CB 3.31Å; F111-A115 WeakPolarHBondContact O-CB 3.2Å; F111-A115 PolarHBondContact O-N 2.76Å; A115-F117 HydrophobicContact CB-CD2 3.39Å; A115-F117 HydrophobicContact CB-CE2 3.74Å; A115-F117 WeakPolarHBondContact O-CD2 3.5Å; A115-F117 VanDerWaalsContact O-CE2 3.25Å; A115-F117 WeakPolarHBondContact O-CE2 3.41Å; A115-F117 PolarHBondContact O-N 2.94Å
116	G	29	Very low	37.4	Very low	58 Å²	58	88.8 Å²	88.8	60%	0.598	45%	0.453	S	S	*	.			trans	61.9	14.2	177.6	0	0	0	0	0	114	S112	S112-G116 WeakPolarHBondContact O-CA 3.25Å; S112-G116 PolarHBondContact O-N 3.41Å
117	F	34.7	Very low	38	Very low	61 Å²	61	89.7 Å²	89.7	27%	0.268	45%	0.448	S	S	.	.			trans	-87	126.5	-178.5	-71.4	-72.1	0	0	0	109.5	S112 A115 H119 A121 C159	S112-F117 PolarHBondContact O-N 2.75Å; A115-F117 HydrophobicContact CB-CD2 3.39Å; A115-F117 HydrophobicContact CB-CE2 3.74Å; A115-F117 WeakPolarHBondContact O-CD2 3.5Å; A115-F117 VanDerWaalsContact O-CE2 3.25Å; A115-F117 WeakPolarHBondContact O-CE2 3.41Å; A115-F117 PolarHBondContact O-N 2.94Å; F117-H119 PolarHBondContact O-N 3.2Å; F117-A121 HydrophobicContact CD1-CB 4.14Å; F117-C159 HydrophobicContact CZ-CB 4.46Å; F117-C159 WeakPolarHBondContact CZ-SG 3.16Å
118	P	38	Very low	38.5	Very low	72 Å²	72	87 Å²	87	47%	0.468	43%	0.434	S	S	.	.			trans	-59.7	128.2	159.1	26.1	-29.8	0	0	0	106.7	F120 A121	P118-F120 PolarHBondContact O-N 2.67Å; P118-A121 PolarHBondContact O-N 3.27Å
119	H	36.7	Very low	39	Very low	89 Å²	89	89.2 Å²	89.2	41%	0.412	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-33.2	-23.5	177.3	-126.4	-88.3	0	0	0	116.2	N108 S112 F117	N108-H119 WeakPolarHBondContact CB-NE2 3.3Å; S112-H119 PolarHBondContact OG-CD2 3.46Å; F117-H119 PolarHBondContact O-N 3.2Å
120	F	38.2	Very low	39.3	Very low	130 Å²	130	92.7 Å²	92.7	57%	0.57	45%	0.451	S	S	*	.	H	α-helix	trans	-63.4	-38.2	177.2	-149.8	-96.3	0	0	0	114.6	P118 T124	P118-F120 PolarHBondContact O-N 2.67Å; F120-T124 PolarHBondContact O-OG1 2.95Å
121	A	40.6	Very low	39.6	Very low	31 Å²	31	91.4 Å²	91.4	26%	0.256	44%	0.444	S	S	.	.	H	α-helix	trans	-76.6	-44	-171.5	0	0	0	0	0	112.4	F117 P118 R123 T124 L125	F117-A121 HydrophobicContact CD1-CB 4.14Å; P118-A121 PolarHBondContact O-N 3.27Å; A121-R123 PolarHBondContact O-N 3.47Å; A121-T124 PolarHBondContact O-N 2.81Å; A121-L125 WeakPolarHBondContact O-CB 3.31Å; A121-L125 PolarHBondContact O-N 2.86Å
122	S	42.8	Very low	39.7	Very low	50 Å²	50	89 Å²	89	35%	0.35	44%	0.443	S	S	.	.	H	α-helix	trans	-66.4	-38.3	-174.1	-49.6	0	0	0	0	112.6	L126	S122-L126 PolarHBondContact O-N 3.17Å; S122-L126 VanDerWaalsContact O-N 3.12Å
123	R	39.8	Very low	40	Very low	152 Å²	152	97 Å²	97	57%	0.574	48%	0.475	S	S	*	.	H	α-helix	trans	-70.1	-40.9	178	-77	-174.3	164.9	-174	-4.6	112.4	A121 L125 L126 F127	A121-R123 PolarHBondContact O-N 3.47Å; R123-L125 VanDerWaalsContact C-N 3.34Å; R123-L126 PolarHBondContact O-N 3.39Å; R123-F127 WeakPolarHBondContact O-CB 3.09Å; R123-F127 PolarHBondContact O-N 2.88Å
124	T	45.2	Very low	40.2	Very low	58 Å²	58	91.9 Å²	91.9	36%	0.356	46%	0.462	S	S	.	.	H	α-helix	trans	-63.1	-42.8	176.3	-53.5	0	0	0	0	111	F120 A121 L126 F127 L128	F120-T124 PolarHBondContact O-OG1 2.95Å; A121-T124 PolarHBondContact O-N 2.81Å; T124-L126 PolarHBondContact O-N 3.34Å; T124-F127 PolarHBondContact O-N 3.15Å; T124-L128 HydrophobicContact CG2-CD1 4.15Å; T124-L128 VanDerWaalsContact O-CG 3.31Å; T124-L128 WeakPolarHBondContact O-CG 3.37Å; T124-L128 PolarHBondContact O-N 3.49Å
125	L	46.6	Very low	40.2	Very low	38 Å²	38	90.4 Å²	90.4	20%	0.199	46%	0.462	C	S	.	.	H	α-helix	trans	-64.8	-41.6	-179.9	-159.3	138.1	0	0	0	111.6	A121 R123 L128 L129 I147 I163	A121-L125 WeakPolarHBondContact O-CB 3.31Å; A121-L125 PolarHBondContact O-N 2.86Å; R123-L125 VanDerWaalsContact C-N 3.34Å; L125-L128 PolarHBondContact O-N 3.17Å; L125-L129 HydrophobicContact CD2-CD1 3.91Å; L125-L129 WeakPolarHBondContact O-CG 3.21Å; L125-L129 PolarHBondContact O-N 2.98Å; L125-L129 VanDerWaalsContact O-N 3.1Å; L125-I147 HydrophobicContact CD1-CD1 3.99Å; L125-I163 HydrophobicContact CD1-CD1 4.12Å; L125-I163 HydrophobicContact CD2-CD1 4.32Å
126	L	46.9	Very low	40.1	Very low	92 Å²	92	94.5 Å²	94.5	48%	0.482	49%	0.488	S	S	.	.	H	α-helix	trans	-67.8	-37.6	176.8	-154.9	78.8	0	0	0	112.2	S122 R123 T124 L129 Y130	S122-L126 PolarHBondContact O-N 3.17Å; S122-L126 VanDerWaalsContact O-N 3.12Å; R123-L126 PolarHBondContact O-N 3.39Å; T124-L126 PolarHBondContact O-N 3.34Å; L126-L129 PolarHBondContact O-N 2.85Å; L126-Y130 WeakPolarHBondContact O-CB 3.36Å; L126-Y130 PolarHBondContact O-N 2.88Å
127	F	44.7	Very low	40.3	Very low	123 Å²	123	95.5 Å²	95.5	54%	0.539	48%	0.482	S	S	.	.	H	α-helix	trans	-68.2	-38.2	178.4	-159.2	-93.8	0	0	0	112.3	R123 T124 L129 Y130 Q131	R123-F127 WeakPolarHBondContact O-CB 3.09Å; R123-F127 PolarHBondContact O-N 2.88Å; T124-F127 PolarHBondContact O-N 3.15Å; F127-L129 VanDerWaalsContact C-N 3.34Å; F127-Y130 PolarHBondContact O-N 3.31Å; F127-Q131 HydrophobicContact CD1-CG 4.38Å; F127-Q131 HydrophobicContact CE1-CG 4.14Å; F127-Q131 PolarHBondContact O-N 2.84Å; F127-Q131 VanDerWaalsContact O-N 3.08Å
128	L	41.6	Very low	40.4	Very low	41 Å²	41	103.4 Å²	103.4	22%	0.215	51%	0.51	C	S	.	.	H	α-helix	trans	-66	-37.4	174.2	-70.1	172.4	0	0	0	111.9	T124 L125 S132 F139 G143	T124-L128 HydrophobicContact CG2-CD1 4.15Å; T124-L128 VanDerWaalsContact O-CG 3.31Å; T124-L128 WeakPolarHBondContact O-CG 3.37Å; T124-L128 PolarHBondContact O-N 3.49Å; L125-L128 PolarHBondContact O-N 3.17Å; L128-S132 PolarHBondContact O-N 3.27Å; L128-F139 HydrophobicContact CD2-CD1 3.6Å; L128-F139 HydrophobicContact CD2-CE1 3.78Å; L128-F139 HydrophobicContact CD2-CG 4.41Å; L128-G143 VanDerWaalsContact CD1-CA 3.5Å
129	L	44.6	Very low	40.3	Very low	100 Å²	100	103 Å²	103	52%	0.524	50%	0.501	S	S	.	.	H	α-helix	trans	-67.3	-39.4	172.7	-70.7	173.5	0	0	0	112.1	L125 L126 F127 Q131 S132	L125-L129 HydrophobicContact CD2-CD1 3.91Å; L125-L129 WeakPolarHBondContact O-CG 3.21Å; L125-L129 PolarHBondContact O-N 2.98Å; L125-L129 VanDerWaalsContact O-N 3.1Å; L126-L129 PolarHBondContact O-N 2.85Å; F127-L129 VanDerWaalsContact C-N 3.34Å; L129-Q131 PolarHBondContact O-N 3.16Å; L129-S132 WeakPolarHBondContact O-CB 3.44Å; L129-S132 PolarHBondContact O-N 2.73Å
130	Y	42	Very low	40	Very low	151 Å²	151	108 Å²	108	59%	0.592	52%	0.522	S	S	*	.	H	α-helix	trans	-61.1	-43.6	178.3	-176.4	-101.5	0	0	0	112.2	L126 F127 S132	L126-Y130 WeakPolarHBondContact O-CB 3.36Å; L126-Y130 PolarHBondContact O-N 2.88Å; F127-Y130 PolarHBondContact O-N 3.31Å; Y130-S132 VanDerWaalsContact C-N 3.3Å; Y130-S132 PolarHBondContact O-N 3.4Å
131	Q	39.9	Very low	39.9	Very low	75 Å²	75	106.6 Å²	106.6	35%	0.35	52%	0.524	S	S	.	.	H	α-helix	trans	-70.9	-24.4	177.8	-74.8	-77.2	36	0	0	113.1	F127 L129 K133 N134 F139	F127-Q131 HydrophobicContact CD1-CG 4.38Å; F127-Q131 HydrophobicContact CE1-CG 4.14Å; F127-Q131 PolarHBondContact O-N 2.84Å; F127-Q131 VanDerWaalsContact O-N 3.08Å; L129-Q131 PolarHBondContact O-N 3.16Å; Q131-K133 PolarHBondContact O-N 2.77Å; Q131-N134 PolarHBondContact O-N 3.09Å; Q131-F139 HydrophobicContact CB-CD2 4.46Å; Q131-F139 HydrophobicContact CB-CE2 3.94Å
132	S	37.4	Very low	39.6	Very low	72 Å²	72	109.8 Å²	109.8	50%	0.503	54%	0.54	S	S	.	.	H	α-helix	trans	-64.3	-22.4	-177.6	-173.3	0	0	0	0	114.4	L128 L129 Y130	L128-S132 PolarHBondContact O-N 3.27Å; L129-S132 WeakPolarHBondContact O-CB 3.44Å; L129-S132 PolarHBondContact O-N 2.73Å; Y130-S132 VanDerWaalsContact C-N 3.3Å; Y130-S132 PolarHBondContact O-N 3.4Å
133	K	40.3	Very low	39.2	Very low	195 Å²	195	107.9 Å²	107.9	85%	0.848	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-16.6	177.5	-78.2	-164.8	175.4	-178.3	0	113.9	Q131 K135	Q131-K133 PolarHBondContact O-N 2.77Å; K133-K135 PolarHBondContact O-N 2.71Å
134	N	40.7	Very low	39	Very low	96 Å²	96	103.5 Å²	103.5	51%	0.513	52%	0.518	S	S	.	.	S	Bend	trans	-93.5	83.8	172.5	-82.6	-51.3	0	0	0	109.7	Q131	Q131-N134 PolarHBondContact O-N 3.09Å
135	K	35.9	Very low	38.5	Very low	178 Å²	178	103.4 Å²	103.4	77%	0.774	52%	0.523	S	S	*	.	S	Bend	trans	63	94.2	158.7	-54.9	177.3	-178.4	177.6	0	115.3	K133 V137	K133-K135 PolarHBondContact O-N 2.71Å; K135-V137 VanDerWaalsContact C-N 3.28Å; K135-V137 VanDerWaalsContact O-CG2 3.29Å; K135-V137 WeakPolarHBondContact O-CG2 3.45Å; K135-V137 PolarHBondContact O-N 2.88Å
136	S	36.2	Very low	38.2	Very low	123 Å²	123	104.6 Å²	104.6	86%	0.86	54%	0.538	S	S	*	.			trans	53.4	32.7	144.3	-165.7	0	0	0	0	117.1
137	V	34.2	Very low	37.8	Very low	78 Å²	78	102.4 Å²	102.4	47%	0.473	53%	0.527	S	S	.	.			trans	-96.5	123.5	173.4	-167.6	0	0	0	0	108.8	K135 F139	K135-V137 VanDerWaalsContact C-N 3.28Å; K135-V137 VanDerWaalsContact O-CG2 3.29Å; K135-V137 WeakPolarHBondContact O-CG2 3.45Å; K135-V137 PolarHBondContact O-N 2.88Å; V137-F139 HydrophobicContact CB-CD2 3.48Å; V137-F139 VanDerWaalsContact CB-CD2 3.48Å; V137-F139 HydrophobicContact CB-CE2 3.39Å; V137-F139 HydrophobicContact CB-CZ 4.41Å; V137-F139 HydrophobicContact CG1-CD2 3.49Å; V137-F139 VanDerWaalsContact CG1-CD2 3.49Å; V137-F139 HydrophobicContact CG1-CE2 3.18Å; V137-F139 HydrophobicContact CG1-CG 4.28Å; V137-F139 HydrophobicContact CG1-CZ 3.76Å; V137-F139 HydrophobicContact CG2-CE2 4.17Å; V137-F139 PolarHBondContact O-N 2.66Å
138	R	36	Very low	37.4	Very low	228 Å²	228	98.7 Å²	98.7	86%	0.86	52%	0.519	S	S	*	.			trans	-64.2	53	-176.8	-59.6	176.5	-177.2	170.8	-0.2	112.6	K140	R138-K140 PolarHBondContact O-N 3.32Å; R138-K140 VanDerWaalsContact O-N 3.13Å
139	F	35.2	Very low	37.5	Very low	62 Å²	62	101.9 Å²	101.9	27%	0.272	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	3.1	-175.3	-83.5	-67.7	0	0	0	114.4	L128 Q131 V137 V141	L128-F139 HydrophobicContact CD2-CD1 3.6Å; L128-F139 HydrophobicContact CD2-CE1 3.78Å; L128-F139 HydrophobicContact CD2-CG 4.41Å; Q131-F139 HydrophobicContact CB-CD2 4.46Å; Q131-F139 HydrophobicContact CB-CE2 3.94Å; V137-F139 HydrophobicContact CB-CD2 3.48Å; V137-F139 VanDerWaalsContact CB-CD2 3.48Å; V137-F139 HydrophobicContact CB-CE2 3.39Å; V137-F139 HydrophobicContact CB-CZ 4.41Å; V137-F139 HydrophobicContact CG1-CD2 3.49Å; V137-F139 VanDerWaalsContact CG1-CD2 3.49Å; V137-F139 HydrophobicContact CG1-CE2 3.18Å; V137-F139 HydrophobicContact CG1-CG 4.28Å; V137-F139 HydrophobicContact CG1-CZ 3.76Å; V137-F139 HydrophobicContact CG2-CE2 4.17Å; V137-F139 PolarHBondContact O-N 2.66Å; F139-V141 PolarHBondContact O-N 3.31Å
140	K	30.9	Very low	37.4	Very low	195 Å²	195	100.4 Å²	100.4	85%	0.848	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-13.9	177	-104	-178.5	175.3	179.3	0	114.5	R138 T144	R138-K140 PolarHBondContact O-N 3.32Å; R138-K140 VanDerWaalsContact O-N 3.13Å; K140-T144 PolarHBondContact O-OG1 3.13Å
141	V	36.1	Very low	37	Very low	101 Å²	101	96.8 Å²	96.8	61%	0.612	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	-29.1	-172.1	-172.4	0	0	0	0	114.1	F139 T144 A145	F139-V141 PolarHBondContact O-N 3.31Å; V141-T144 WeakPolarHBondContact CA-OG1 3.49Å; V141-T144 PolarHBondContact O-OG1 3.13Å; V141-A145 WeakPolarHBondContact O-CB 3.29Å; V141-A145 PolarHBondContact O-N 2.79Å
142	V	35.4	Very low	37.1	Very low	97 Å²	97	97.1 Å²	97.1	59%	0.588	54%	0.543	S	S	*	.	H	α-helix	trans	-76.4	-40.2	-174.9	-175.7	0	0	0	0	111.8	A146	V142-A146 PolarHBondContact O-N 3.48Å
143	G	33.7	Very low	37.5	Very low	10 Å²	10	98 Å²	98	10%	0.103	55%	0.545	C	S	.	.	H	α-helix	trans	-69.3	-42.5	177.1	0	0	0	0	0	112.9	L128 A146 I147	L128-G143 VanDerWaalsContact CD1-CA 3.5Å; G143-A146 PolarHBondContact O-N 2.76Å; G143-I147 WeakPolarHBondContact O-CD1 3.25Å; G143-I147 WeakPolarHBondContact O-CG1 3.41Å; G143-I147 PolarHBondContact O-N 3.03Å
144	T	35.5	Very low	37.8	Very low	60 Å²	60	97 Å²	97	37%	0.368	54%	0.541	S	S	.	.	H	α-helix	trans	-67.8	-36.5	177	32.2	0	0	0	0	112.1	K140 V141 I147 A148 L160	K140-T144 PolarHBondContact O-OG1 3.13Å; V141-T144 WeakPolarHBondContact CA-OG1 3.49Å; V141-T144 PolarHBondContact O-OG1 3.13Å; T144-I147 PolarHBondContact O-N 3.38Å; T144-A148 WeakPolarHBondContact O-CA 3.41Å; T144-A148 WeakPolarHBondContact O-CB 3.04Å; T144-A148 PolarHBondContact O-N 3.49Å; T144-L160 HydrophobicContact CG2-CD1 4.41Å
145	A	34.5	Very low	38	Very low	56 Å²	56	97.9 Å²	97.9	46%	0.463	54%	0.542	S	S	.	.	H	α-helix	trans	-67.2	-41.2	175.6	0	0	0	0	0	112.3	V141 A148 S149	V141-A145 WeakPolarHBondContact O-CB 3.29Å; V141-A145 PolarHBondContact O-N 2.79Å; A145-A148 PolarHBondContact O-N 3.24Å; A145-S149 VanDerWaalsContact O-CB 3.29Å; A145-S149 WeakPolarHBondContact O-CB 3.18Å; A145-S149 PolarHBondContact O-N 3.01Å
146	A	40.2	Very low	38.4	Very low	63 Å²	63	89.9 Å²	89.9	52%	0.521	51%	0.508	S	S	.	.	H	α-helix	trans	-65.6	-39.5	176.8	0	0	0	0	0	111.9	V142 G143 A150	V142-A146 PolarHBondContact O-N 3.48Å; G143-A146 PolarHBondContact O-N 2.76Å; A146-A150 PolarHBondContact O-N 3.01Å
147	I	38.5	Very low	38.9	Very low	47 Å²	47	88.8 Å²	88.8	24%	0.241	49%	0.489	C	S	.	.	H	α-helix	trans	-75.7	-38.9	178.1	-57.5	164.3	0	0	0	110.9	L125 G143 T144 S149 A150 Y151 T156	L125-I147 HydrophobicContact CD1-CD1 3.99Å; G143-I147 WeakPolarHBondContact O-CD1 3.25Å; G143-I147 WeakPolarHBondContact O-CG1 3.41Å; G143-I147 PolarHBondContact O-N 3.03Å; T144-I147 PolarHBondContact O-N 3.38Å; I147-S149 VanDerWaalsContact C-N 3.27Å; I147-S149 PolarHBondContact O-N 3.33Å; I147-A150 PolarHBondContact O-N 2.64Å; I147-A150 VanDerWaalsContact O-N 3.17Å; I147-Y151 HydrophobicContact CG2-CD2 4.44Å; I147-Y151 PolarHBondContact O-N 2.92Å; I147-T156 HydrophobicContact CB-CG2 4.06Å; I147-T156 HydrophobicContact CG2-CG2 3.5Å; I147-T156 VanDerWaalsContact CG2-CG2 3.5Å
148	A	37	Very low	39.7	Very low	44 Å²	44	91.4 Å²	91.4	36%	0.364	50%	0.495	S	S	.	.	H	α-helix	trans	-67.2	-27.5	175.5	0	0	0	0	0	112.7	T144 A145 A150 Y151	T144-A148 WeakPolarHBondContact O-CA 3.41Å; T144-A148 WeakPolarHBondContact O-CB 3.04Å; T144-A148 PolarHBondContact O-N 3.49Å; A145-A148 PolarHBondContact O-N 3.24Å; A148-A150 VanDerWaalsContact C-N 3.31Å; A148-Y151 VanDerWaalsContact O-O 3.1Å
149	S	44.2	Very low	40.3	Very low	109 Å²	109	81.8 Å²	81.8	76%	0.762	46%	0.462	S	S	*	.	H	α-helix	trans	-71.9	-25.9	173.9	-174.8	0	0	0	0	112.7	A145 I147	A145-S149 VanDerWaalsContact O-CB 3.29Å; A145-S149 WeakPolarHBondContact O-CB 3.18Å; A145-S149 PolarHBondContact O-N 3.01Å; I147-S149 VanDerWaalsContact C-N 3.27Å; I147-S149 PolarHBondContact O-N 3.33Å
150	A	41.6	Very low	40.9	Very low	69 Å²	69	82.3 Å²	82.3	57%	0.57	47%	0.467	S	S	*	.	H	α-helix	trans	-99.2	-24.6	-179.8	0	0	0	0	0	113	A146 I147 A148	A146-A150 PolarHBondContact O-N 3.01Å; I147-A150 PolarHBondContact O-N 2.64Å; I147-A150 VanDerWaalsContact O-N 3.17Å; A148-A150 VanDerWaalsContact C-N 3.31Å
151	Y	34	Very low	41.9	Very low	74 Å²	74	80.1 Å²	80.1	29%	0.29	45%	0.453	S	S	.	.	S	Bend	trans	-134.2	135.4	-174.4	-68.2	-84	0	0	0	111.2	I147 A148 V153 T156	I147-Y151 HydrophobicContact CG2-CD2 4.44Å; I147-Y151 PolarHBondContact O-N 2.92Å; A148-Y151 VanDerWaalsContact O-O 3.1Å; Y151-V153 PolarHBondContact O-N 2.79Å; Y151-T156 PolarHBondContact O-OG1 3.06Å
152	S	42.1	Very low	42.7	Very low	82 Å²	82	79.8 Å²	79.8	57%	0.573	45%	0.448	S	S	*	.			trans	-45.5	130.4	172	179.5	0	0	0	0	109.5	K154 Q155 T156	S152-K154 PolarHBondContact O-N 2.94Å; S152-Q155 WeakPolarHBondContact O-CA 3.18Å; S152-Q155 WeakPolarHBondContact O-CB 3.38Å; S152-Q155 PolarHBondContact O-N 2.8Å; S152-T156 PolarHBondContact O-N 2.84Å
153	V	44.4	Very low	43.4	Very low	90 Å²	90	77.5 Å²	77.5	55%	0.545	43%	0.432	S	S	.	.	H	α-helix	trans	-46	-37.8	-173.5	177.9	0	0	0	0	112.3	Y151 Q155 T156 E157	Y151-V153 PolarHBondContact O-N 2.79Å; V153-Q155 VanDerWaalsContact C-N 3.35Å; V153-Q155 PolarHBondContact O-N 2.74Å; V153-T156 PolarHBondContact O-N 2.73Å; V153-E157 PolarHBondContact O-N 3.24Å
154	K	47.8	Very low	44	Very low	175 Å²	175	79.8 Å²	79.8	76%	0.761	45%	0.45	S	S	*	.	H	α-helix	trans	-61.3	-38.5	176.9	-66.8	-173.5	177.2	-177.2	0	113.5	S152 K158	S152-K154 PolarHBondContact O-N 2.94Å; K154-K158 PolarHBondContact O-N 2.9Å; K154-K158 VanDerWaalsContact O-N 3.13Å
155	Q	45.2	Very low	44.6	Very low	115 Å²	115	82 Å²	82	54%	0.537	46%	0.459	S	S	.	.	H	α-helix	trans	-74.9	-37.4	-179.9	-161.4	170.4	8.5	0	0	111.1	S152 V153 K158 C159	S152-Q155 WeakPolarHBondContact O-CA 3.18Å; S152-Q155 WeakPolarHBondContact O-CB 3.38Å; S152-Q155 PolarHBondContact O-N 2.8Å; V153-Q155 VanDerWaalsContact C-N 3.35Å; V153-Q155 PolarHBondContact O-N 2.74Å; Q155-K158 PolarHBondContact O-N 2.69Å; Q155-C159 VanDerWaalsContact O-CB 3.3Å; Q155-C159 WeakPolarHBondContact O-CB 3.47Å; Q155-C159 PolarHBondContact O-N 3.14Å
156	T	44.3	Very low	45.2	Very low	10 Å²	10	86 Å²	86	6%	0.061	47%	0.469	C	S	.	.	H	α-helix	trans	-63.3	-44.9	173.7	-55.9	0	0	0	0	111.6	I147 Y151 S152 V153 K158 C159 L160	I147-T156 HydrophobicContact CB-CG2 4.06Å; I147-T156 HydrophobicContact CG2-CG2 3.5Å; I147-T156 VanDerWaalsContact CG2-CG2 3.5Å; Y151-T156 PolarHBondContact O-OG1 3.06Å; S152-T156 PolarHBondContact O-N 2.84Å; V153-T156 PolarHBondContact O-N 2.73Å; T156-K158 PolarHBondContact O-N 3.33Å; T156-C159 WeakPolarHBondContact O-CB 3.42Å; T156-C159 PolarHBondContact O-N 2.77Å; T156-L160 HydrophobicContact CG2-CD1 4.21Å; T156-L160 WeakPolarHBondContact O-CG 3.42Å; T156-L160 PolarHBondContact O-N 3.25Å
157	E	46.4	Very low	45.3	Very low	99 Å²	99	90.4 Å²	90.4	46%	0.463	48%	0.476	S	S	.	.	H	α-helix	trans	-64.1	-39.3	175.9	-75.2	-169.4	174	0	0	113	V153 R161	V153-E157 PolarHBondContact O-N 3.24Å; E157-R161 PolarHBondContact O-N 3.14Å; E157-R161 VanDerWaalsContact O-N 3.1Å; E157-R161 IonicContact OE2-NH2 3.03Å; E157-R161 PolarHBondContact OE2-NH2 3.01Å
158	K	51.4	Low	45.6	Very low	134 Å²	134	93 Å²	93	58%	0.583	50%	0.498	S	S	*	.	H	α-helix	trans	-63	-46.5	175.2	-172.8	-180	177.1	-175	0	110.8	K154 Q155 T156 L160 R161 D162	K154-K158 PolarHBondContact O-N 2.9Å; K154-K158 VanDerWaalsContact O-N 3.13Å; Q155-K158 PolarHBondContact O-N 2.69Å; T156-K158 PolarHBondContact O-N 3.33Å; K158-L160 PolarHBondContact O-N 2.74Å; K158-R161 PolarHBondContact O-N 2.63Å; K158-D162 PolarHBondContact O-N 2.76Å
159	C	48.1	Very low	45.8	Very low	25 Å²	25	102.7 Å²	102.7	17%	0.169	53%	0.533	C	S	.	.	H	α-helix	trans	-58.4	-45.9	177.3	177.2	0	0	0	0	112.3	F117 Q155 T156 R161 D162 I163	F117-C159 HydrophobicContact CZ-CB 4.46Å; F117-C159 WeakPolarHBondContact CZ-SG 3.16Å; Q155-C159 VanDerWaalsContact O-CB 3.3Å; Q155-C159 WeakPolarHBondContact O-CB 3.47Å; Q155-C159 PolarHBondContact O-N 3.14Å; T156-C159 WeakPolarHBondContact O-CB 3.42Å; T156-C159 PolarHBondContact O-N 2.77Å; C159-R161 VanDerWaalsContact C-N 3.31Å; C159-R161 PolarHBondContact O-N 2.64Å; C159-D162 PolarHBondContact O-N 3.44Å; C159-I163 WeakPolarHBondContact O-CD1 3.48Å; C159-I163 VanDerWaalsContact O-CG1 3.23Å; C159-I163 WeakPolarHBondContact O-CG1 3.47Å; C159-I163 PolarHBondContact O-N 3.08Å
160	L	47.7	Very low	45.9	Very low	74 Å²	74	102.4 Å²	102.4	39%	0.387	52%	0.521	S	S	.	.	H	α-helix	trans	-64.5	-35.9	178.4	-73.3	172	0	0	0	112.5	T144 T156 K158 A164	T144-L160 HydrophobicContact CG2-CD1 4.41Å; T156-L160 HydrophobicContact CG2-CD1 4.21Å; T156-L160 WeakPolarHBondContact O-CG 3.42Å; T156-L160 PolarHBondContact O-N 3.25Å; K158-L160 PolarHBondContact O-N 2.74Å; L160-A164 WeakPolarHBondContact O-CB 3.4Å; L160-A164 PolarHBondContact O-N 2.79Å
161	R	52.6	Low	46.1	Very low	148 Å²	148	104.2 Å²	104.2	56%	0.558	52%	0.518	S	S	*	.	H	α-helix	trans	-66.7	-48.9	173.8	-84.4	-176.5	-86.5	-123.3	-4.4	112	E157 K158 C159 I163 A164 D165	E157-R161 PolarHBondContact O-N 3.14Å; E157-R161 VanDerWaalsContact O-N 3.1Å; E157-R161 IonicContact OE2-NH2 3.03Å; E157-R161 PolarHBondContact OE2-NH2 3.01Å; K158-R161 PolarHBondContact O-N 2.63Å; C159-R161 VanDerWaalsContact C-N 3.31Å; C159-R161 PolarHBondContact O-N 2.64Å; R161-I163 PolarHBondContact O-N 3.26Å; R161-A164 PolarHBondContact O-N 3.14Å; R161-D165 PolarHBondContact O-N 3.13Å
162	D	51.7	Low	46.8	Very low	94 Å²	94	105.8 Å²	105.8	50%	0.503	53%	0.531	S	S	.	.	H	α-helix	trans	-59.4	-37.8	179.2	-71.6	-14.3	0	0	0	111.5	K158 C159 H166	K158-D162 PolarHBondContact O-N 2.76Å; C159-D162 PolarHBondContact O-N 3.44Å; D162-H166 WeakPolarHBondContact O-CB 3.33Å; D162-H166 PolarHBondContact O-N 3.32Å
163	I	50.1	Low	47.1	Very low	50 Å²	50	107.2 Å²	107.2	26%	0.256	53%	0.529	S	S	.	.	H	α-helix	trans	-66.7	-47.3	174.5	-67.7	167.3	0	0	0	110.8	L125 C159 R161 D165 H166 F167	L125-I163 HydrophobicContact CD1-CD1 4.12Å; L125-I163 HydrophobicContact CD2-CD1 4.32Å; C159-I163 WeakPolarHBondContact O-CD1 3.48Å; C159-I163 VanDerWaalsContact O-CG1 3.23Å; C159-I163 WeakPolarHBondContact O-CG1 3.47Å; C159-I163 PolarHBondContact O-N 3.08Å; R161-I163 PolarHBondContact O-N 3.26Å; I163-D165 VanDerWaalsContact C-N 3.3Å; I163-D165 PolarHBondContact O-N 3.27Å; I163-H166 PolarHBondContact O-N 2.88Å; I163-F167 HydrophobicContact CG2-CD2 3.86Å; I163-F167 HydrophobicContact CG2-CE2 3.81Å; I163-F167 WeakPolarHBondContact O-CD2 3.25Å; I163-F167 PolarHBondContact O-N 3.05Å
164	A	47.2	Very low	47.2	Very low	58 Å²	58	108.3 Å²	108.3	48%	0.479	53%	0.528	S	S	.	.	H	α-helix	trans	-60	-42	179.7	0	0	0	0	0	111.7	L160 R161 F167 S168	L160-A164 WeakPolarHBondContact O-CB 3.4Å; L160-A164 PolarHBondContact O-N 2.79Å; R161-A164 PolarHBondContact O-N 3.14Å; A164-F167 PolarHBondContact O-N 2.87Å; A164-S168 PolarHBondContact O-N 2.83Å; A164-S168 VanDerWaalsContact O-N 3.11Å
165	D	48.1	Very low	47.2	Very low	105 Å²	105	103.9 Å²	103.9	56%	0.561	51%	0.512	S	S	*	.	H	α-helix	trans	-68.4	-36.9	178.8	-72	-12.4	0	0	0	112	R161 I163 F167 S168	R161-D165 PolarHBondContact O-N 3.13Å; I163-D165 VanDerWaalsContact C-N 3.3Å; I163-D165 PolarHBondContact O-N 3.27Å; D165-F167 VanDerWaalsContact C-N 3.26Å; D165-F167 PolarHBondContact O-N 3.04Å; D165-S168 PolarHBondContact O-N 3.45Å
166	H	46.4	Very low	47.3	Very low	142 Å²	142	103.1 Å²	103.1	66%	0.657	51%	0.51	S	S	*	.	H	α-helix	trans	-64.1	-30.8	176.1	-169	-67.1	0	0	0	112.5	D162 I163	D162-H166 WeakPolarHBondContact O-CB 3.33Å; D162-H166 PolarHBondContact O-N 3.32Å; I163-H166 PolarHBondContact O-N 2.88Å
167	F	42.5	Very low	47.6	Very low	154 Å²	154	110.2 Å²	110.2	68%	0.675	55%	0.545	S	S	*	.	H	α-helix	trans	-91.8	-6.4	177.1	-72.3	-70.2	0	0	0	114	I163 A164 D165	I163-F167 HydrophobicContact CG2-CD2 3.86Å; I163-F167 HydrophobicContact CG2-CE2 3.81Å; I163-F167 WeakPolarHBondContact O-CD2 3.25Å; I163-F167 PolarHBondContact O-N 3.05Å; A164-F167 PolarHBondContact O-N 2.87Å; D165-F167 VanDerWaalsContact C-N 3.26Å; D165-F167 PolarHBondContact O-N 3.04Å
168	S	44.5	Very low	47.7	Very low	101 Å²	101	111.2 Å²	111.2	71%	0.706	55%	0.552	S	S	*	*			trans	-89.1	-2.7	177.9	-169.2	0	0	0	0	113.9	A164 D165	A164-S168 PolarHBondContact O-N 2.83Å; A164-S168 VanDerWaalsContact O-N 3.11Å; D165-S168 PolarHBondContact O-N 3.45Å
169	K	41.9	Very low	47.3	Very low	249 Å²	249	109.1 Å²	109.1	100%	1.083	55%	0.549	S	S	*	.			trans	-98	0	170.2	-68.7	-178.4	-179.4	177.4	0	110.3

Retrieved 169 of 169 residues in 69.5 ms (Link to these results)

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