A0A077ZBV0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZBV0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 204 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	43.1	Very low	48	Very low	246 Å²	246	155.5 Å²	155.5	100%	1.212	80%	0.799	S	S	*	*				0	142.1	0	-71.1	-168.4	-167.7	0	0	107.8
2	Q	41.6	Very low	48.1	Very low	180 Å²	180	151.4 Å²	151.4	84%	0.841	79%	0.791	S	S	*	*			trans	-49.8	139.3	-176.8	-71.6	149.7	-15	0	0	113.1
3	Q	41.5	Very low	47.9	Very low	182 Å²	182	149.3 Å²	149.3	85%	0.85	79%	0.792	S	S	*	*			trans	-126.7	108.1	147	-85.3	-177.4	-26.3	0	0	106.8	E5	Q3-E5 PolarHBondContact O-N 2.81Å
4	D	47.9	Very low	48.1	Very low	153 Å²	153	155.8 Å²	155.8	82%	0.818	80%	0.8	S	S	*	*			trans	-65.8	111.1	168.1	-83.5	-53.2	0	0	0	109.3
5	E	56.5	Low	48	Very low	151 Å²	151	161.4 Å²	161.4	71%	0.706	81%	0.807	S	S	*	*			trans	-108.4	84.6	164.2	-60.5	-160.5	146.4	0	0	108.6	Q3 K7	Q3-E5 PolarHBondContact O-N 2.81Å; E5-K7 VanDerWaalsContact C-N 3.3Å; E5-K7 PolarHBondContact O-N 3.08Å
6	N	45.9	Very low	47.7	Very low	144 Å²	144	165.9 Å²	165.9	77%	0.77	81%	0.812	S	S	*	*			trans	-58.5	89.3	168	-168.4	0.2	0	0	0	109.3	V8	N6-V8 VanDerWaalsContact C-N 3.26Å; N6-V8 PolarHBondContact O-N 2.94Å
7	K	52.7	Low	47.5	Very low	179 Å²	179	162.6 Å²	162.6	78%	0.778	81%	0.809	S	S	*	*			trans	-76.4	83.3	173.7	-70.2	-173.5	-177.3	-174.7	0	109	E5 A9	E5-K7 VanDerWaalsContact C-N 3.3Å; E5-K7 PolarHBondContact O-N 3.08Å; K7-A9 PolarHBondContact O-N 3.03Å; K7-A9 VanDerWaalsContact O-N 3.09Å
8	V	48	Very low	47.3	Very low	108 Å²	108	159 Å²	159	66%	0.655	80%	0.802	S	S	*	*			trans	-52.4	113.7	161	175.9	0	0	0	0	107.3	N6 V10	N6-V8 VanDerWaalsContact C-N 3.26Å; N6-V8 PolarHBondContact O-N 2.94Å; V8-V10 VanDerWaalsContact C-N 3.31Å; V8-V10 PolarHBondContact O-N 3.15Å
9	A	51.1	Low	47.1	Very low	77 Å²	77	160 Å²	160	64%	0.636	81%	0.809	S	S	*	*			trans	-65.3	93	173.5	0	0	0	0	0	108.6	K7 H11	K7-A9 PolarHBondContact O-N 3.03Å; K7-A9 VanDerWaalsContact O-N 3.09Å; A9-H11 VanDerWaalsContact C-N 3.34Å; A9-H11 PolarHBondContact O-N 3.02Å
10	V	49.7	Very low	46.6	Very low	128 Å²	128	156.8 Å²	156.8	78%	0.776	80%	0.802	S	S	*	*			trans	-68.9	97	169.4	-179.6	0	0	0	0	106.7	V8	V8-V10 VanDerWaalsContact C-N 3.31Å; V8-V10 PolarHBondContact O-N 3.15Å
11	H	50.4	Low	46.2	Very low	162 Å²	162	154.3 Å²	154.3	75%	0.75	80%	0.799	S	S	*	*			trans	-58.2	132.9	170.4	-75.7	-79.2	0	0	0	109.2	A9	A9-H11 VanDerWaalsContact C-N 3.34Å; A9-H11 PolarHBondContact O-N 3.02Å
12	P	49.5	Very low	46	Very low	107 Å²	107	150.7 Å²	150.7	70%	0.695	78%	0.783	S	S	*	*			trans	-60.8	143.4	-178.8	23.7	-32.4	0	0	0	110.3	R14	P12-R14 PolarHBondContact O-N 2.89Å
13	P	45.5	Very low	45.5	Very low	124 Å²	124	146.1 Å²	146.1	81%	0.805	78%	0.784	S	S	*	*			trans	-58.5	114.6	-179.2	22.7	-32	0	0	0	109.3	R15	P13-R15 PolarHBondContact O-N 3.3Å
14	R	49.7	Very low	45	Very low	240 Å²	240	141 Å²	141	91%	0.906	78%	0.781	S	S	*	*			trans	-53.8	111.7	172.7	-163	174.9	-176.1	144	-0.4	106.9	P12 R16	P12-R14 PolarHBondContact O-N 2.89Å; R14-R16 PolarHBondContact O-N 3.24Å
15	R	47.5	Very low	44.4	Very low	240 Å²	240	145 Å²	145	91%	0.906	79%	0.785	S	S	*	*			trans	-43.8	108.5	178.5	-86.2	-177.2	159.3	-166.4	-4.8	108.7	P13 S17	P13-R15 PolarHBondContact O-N 3.3Å; R15-S17 VanDerWaalsContact C-N 3.32Å; R15-S17 PolarHBondContact O-N 2.87Å
16	R	42	Very low	43.6	Very low	234 Å²	234	142.6 Å²	142.6	88%	0.883	79%	0.79	S	S	*	*			trans	-64.7	101.9	163.7	-63.8	177.5	82	-175.8	5.2	104.3	R14 S18	R14-R16 PolarHBondContact O-N 3.24Å; R16-S18 PolarHBondContact O-N 3.33Å
17	S	45.9	Very low	43.2	Very low	109 Å²	109	144.3 Å²	144.3	76%	0.762	79%	0.794	S	S	*	*			trans	-63.6	88.6	161.5	47.1	0	0	0	0	105.9	R15 L19	R15-S17 VanDerWaalsContact C-N 3.32Å; R15-S17 PolarHBondContact O-N 2.87Å; S17-L19 PolarHBondContact O-N 3.21Å
18	S	42.8	Very low	42.6	Very low	98 Å²	98	144 Å²	144	69%	0.685	80%	0.795	S	S	*	*			trans	-57.9	106.7	168	44.8	0	0	0	0	107.4	R16 S20	R16-S18 PolarHBondContact O-N 3.33Å; S18-S20 PolarHBondContact O-N 3.49Å
19	L	43.4	Very low	42.2	Very low	178 Å²	178	144.8 Å²	144.8	93%	0.932	79%	0.791	S	S	*	*			trans	-52.2	99.6	159.2	-76.9	141.7	0	0	0	108.7	S17	S17-L19 PolarHBondContact O-N 3.21Å
20	S	37.9	Very low	41.7	Very low	96 Å²	96	149.5 Å²	149.5	67%	0.671	81%	0.806	S	S	*	*			trans	-167	95.6	164.7	40.4	0	0	0	0	107.8	S18	S18-S20 PolarHBondContact O-N 3.49Å
21	S	37.4	Very low	41.4	Very low	105 Å²	105	152.3 Å²	152.3	73%	0.734	80%	0.803	S	S	*	*				172.2	117.4	111.4	-151.1	0	0	0	0	111.1
22	L	39.2	Very low	41.3	Very low	169 Å²	169	149.4 Å²	149.4	89%	0.885	80%	0.801	S	S	*	*			trans	54	110	145.2	-83.6	83.6	0	0	0	119.9
23	G	32	Very low	41	Very low	84 Å²	84	150.7 Å²	150.7	87%	0.866	81%	0.807	S	S	*	*			trans	172.6	66.8	157.4	0	0	0	0	0	116.8
24	G	30.9	Very low	40.9	Very low	76 Å²	76	153.2 Å²	153.2	78%	0.784	81%	0.808	S	S	*	*			trans	82.2	86	142.4	0	0	0	0	0	119.7
25	R	35.4	Very low	41.3	Very low	237 Å²	237	153 Å²	153	89%	0.894	81%	0.807	S	S	*	*				48.2	93.4	120.6	-158.6	178.9	-178.6	-175.2	-0.9	117.7
26	A	39.4	Very low	41.9	Very low	100 Å²	100	152.2 Å²	152.2	83%	0.826	80%	0.804	S	S	*	*			trans	-144.4	80.5	147.2	0	0	0	0	0	109.2	Q28	A26-Q28 PolarHBondContact O-N 3.23Å
27	E	36.8	Very low	42.7	Very low	179 Å²	179	144.6 Å²	144.6	84%	0.836	79%	0.785	S	S	*	*			trans	-65.7	105.6	154.2	-74.7	175.1	116.5	0	0	107.7
28	Q	39.8	Very low	43.4	Very low	173 Å²	173	142.9 Å²	142.9	81%	0.808	77%	0.773	S	S	*	*			trans	-163.3	120.7	147.4	-117.5	176.3	-8.6	0	0	112.1	A26	A26-Q28 PolarHBondContact O-N 3.23Å
29	Q	39.6	Very low	44.4	Very low	124 Å²	124	145.1 Å²	145.1	58%	0.579	77%	0.77	S	S	*	*			trans	76.9	83.1	151.8	-69.5	177.3	1.8	0	0	117.9	R31	Q29-R31 HydrophobicContact CB-CG 4.35Å; Q29-R31 PolarHBondContact O-N 3.37Å; Q29-R31 VanDerWaalsContact OE1-NH1 3.14Å
30	D	41	Very low	44.5	Very low	177 Å²	177	142.1 Å²	142.1	95%	0.947	75%	0.75	S	S	*	*			trans	-56.7	54.4	146	-135.1	-12.9	0	0	0	112	S32	D30-S32 PolarHBondContact O-N 3.35Å; D30-S32 VanDerWaalsContact O-N 3.1Å
31	R	42.7	Very low	45.3	Very low	186 Å²	186	138.8 Å²	138.8	70%	0.702	73%	0.728	S	S	*	*			trans	-77.2	95	170.5	-91.3	-176.8	172.9	150.8	-4.8	107.5	Q29 T33	Q29-R31 HydrophobicContact CB-CG 4.35Å; Q29-R31 PolarHBondContact O-N 3.37Å; Q29-R31 VanDerWaalsContact OE1-NH1 3.14Å; R31-T33 PolarHBondContact O-N 2.76Å
32	S	48.9	Very low	46.4	Very low	102 Å²	102	136.7 Å²	136.7	71%	0.713	71%	0.711	S	S	*	*			trans	28.3	90.6	145.7	52.1	0	0	0	0	113	D30 E34	D30-S32 PolarHBondContact O-N 3.35Å; D30-S32 VanDerWaalsContact O-N 3.1Å; S32-E34 PolarHBondContact O-N 3.1Å
33	T	42.9	Very low	47	Very low	134 Å²	134	130.1 Å²	130.1	82%	0.822	68%	0.676	S	S	*	*			trans	-61.1	80.3	166.9	42.9	0	0	0	0	108.5	R31 R35	R31-T33 PolarHBondContact O-N 2.76Å; T33-R35 PolarHBondContact O-N 2.76Å
34	E	44.2	Very low	47.9	Very low	177 Å²	177	129.2 Å²	129.2	83%	0.827	65%	0.647	S	S	*	*			trans	-54.2	100.1	159.4	-168.6	173	-156.2	0	0	104.3	S32 R36	S32-E34 PolarHBondContact O-N 3.1Å; E34-R36 PolarHBondContact O-N 3.03Å
35	R	58.5	Low	49.1	Very low	234 Å²	234	134.6 Å²	134.6	88%	0.883	64%	0.644	S	S	*	*			trans	-60	92.1	-178.6	-94.5	-173.4	176.5	-173.4	-0.3	105.4	T33 P37	T33-R35 PolarHBondContact O-N 2.76Å; R35-P37 VanDerWaalsContact O-N 3.08Å
36	R	59.1	Low	50.2	Low	225 Å²	225	128.5 Å²	128.5	85%	0.849	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-50.9	123.4	169.7	-74	-175.3	175.7	173	-1.1	105	E34 S38	E34-R36 PolarHBondContact O-N 3.03Å; R36-S38 PolarHBondContact O-N 2.88Å
37	P	59.7	Low	50.7	Low	73 Å²	73	125.2 Å²	125.2	47%	0.474	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-51.7	133.3	177	20.1	-30.6	0	0	0	107.3	R35 A41 V42	R35-P37 VanDerWaalsContact O-N 3.08Å; P37-A41 HydrophobicContact CB-CB 3.93Å; P37-V42 HydrophobicContact CB-CG2 4Å; P37-V42 HydrophobicContact CG-CG2 3.67Å
38	S	59.8	Low	51.4	Low	74 Å²	74	118.1 Å²	118.1	52%	0.517	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-52.4	149.6	177.6	62.4	0	0	0	0	109.1	R36 F40 A41 V42	R36-S38 PolarHBondContact O-N 2.88Å; S38-F40 PolarHBondContact O-N 3.44Å; S38-A41 WeakPolarHBondContact O-CA 3.29Å; S38-A41 WeakPolarHBondContact O-CB 3.43Å; S38-A41 PolarHBondContact O-N 3.04Å; S38-A41 PolarHBondContact OG-N 3.4Å; S38-V42 PolarHBondContact O-N 3.04Å; S38-V42 VanDerWaalsContact O-N 3.15Å
39	K	63.2	Low	52	Low	144 Å²	144	113.1 Å²	113.1	63%	0.626	55%	0.549	S	S	*	.	H	α-helix	trans	-48.3	-36.4	178.8	-68.3	-165.5	175.8	-151.9	0	111.5	V42 L43 E145	K39-V42 PolarHBondContact O-N 3.33Å; K39-L43 VanDerWaalsContact O-CB 3.26Å; K39-L43 WeakPolarHBondContact O-CB 3.28Å; K39-L43 PolarHBondContact O-N 3.49Å; K39-E145 IonicContact NZ-OE1 2.82Å; K39-E145 PolarHBondContact NZ-OE1 2.87Å
40	F	46.8	Very low	52.5	Low	115 Å²	115	109.2 Å²	109.2	50%	0.504	54%	0.539	S	S	.	.	H	α-helix	trans	-65.9	-33.8	174.7	-167.4	-122.8	0	0	0	114.9	S38 R44	S38-F40 PolarHBondContact O-N 3.44Å; F40-R44 VanDerWaalsContact CD1-CZ 3.42Å; F40-R44 HydrophobicContact CE1-CG 4.5Å; F40-R44 HydrophobicContact CE2-CG 4.37Å; F40-R44 HydrophobicContact CZ-CG 4.28Å; F40-R44 WeakPolarHBondContact O-CB 3.4Å; F40-R44 WeakPolarHBondContact O-CG 3.24Å; F40-R44 PolarHBondContact O-N 3.4Å
41	A	54.5	Low	52.8	Low	26 Å²	26	103 Å²	103	22%	0.215	51%	0.505	C	S	.	.	H	α-helix	trans	-72.9	-38	174.9	0	0	0	0	0	112.6	P37 S38 R45	P37-A41 HydrophobicContact CB-CB 3.93Å; S38-A41 WeakPolarHBondContact O-CA 3.29Å; S38-A41 WeakPolarHBondContact O-CB 3.43Å; S38-A41 PolarHBondContact O-N 3.04Å; S38-A41 PolarHBondContact OG-N 3.4Å; A41-R45 PolarHBondContact O-N 3.06Å
42	V	60.1	Low	53.3	Low	61 Å²	61	100.4 Å²	100.4	37%	0.37	50%	0.501	S	S	.	.	H	α-helix	trans	-64.7	-48.2	172.6	178.9	0	0	0	0	109.9	P37 S38 K39 R44 R45 Q46	P37-V42 HydrophobicContact CB-CG2 4Å; P37-V42 HydrophobicContact CG-CG2 3.67Å; S38-V42 PolarHBondContact O-N 3.04Å; S38-V42 VanDerWaalsContact O-N 3.15Å; K39-V42 PolarHBondContact O-N 3.33Å; V42-R44 VanDerWaalsContact C-N 3.35Å; V42-R44 PolarHBondContact O-N 2.99Å; V42-R45 WeakPolarHBondContact O-CB 3.5Å; V42-R45 PolarHBondContact O-N 2.9Å; V42-R45 VanDerWaalsContact O-N 3.13Å; V42-Q46 PolarHBondContact O-N 2.76Å
43	L	52.3	Low	53.3	Low	31 Å²	31	97.8 Å²	97.8	16%	0.162	49%	0.49	C	S	.	.	H	α-helix	trans	-58	-45.6	177.7	-177.1	68	0	0	0	111.7	K39 R45 Q46 T47 N152	K39-L43 VanDerWaalsContact O-CB 3.26Å; K39-L43 WeakPolarHBondContact O-CB 3.28Å; K39-L43 PolarHBondContact O-N 3.49Å; L43-R45 PolarHBondContact O-N 2.76Å; L43-Q46 PolarHBondContact O-N 2.67Å; L43-T47 WeakPolarHBondContact O-CG2 3.44Å; L43-T47 PolarHBondContact O-N 3.33Å; L43-T47 PolarHBondContact O-OG1 3.46Å; L43-N152 VanDerWaalsContact CD1-ND2 3.31Å; L43-N152 WeakPolarHBondContact CD1-ND2 3.49Å; L43-N152 VanDerWaalsContact CD2-ND2 3.35Å; L43-N152 WeakPolarHBondContact CD2-ND2 3.49Å
44	R	50.9	Low	53.4	Low	66 Å²	66	92.9 Å²	92.9	25%	0.249	46%	0.46	C	S	.	.	H	α-helix	trans	-65.6	-34.4	176.6	-78.9	-166.4	-73	-170.2	-5.1	113.5	F40 V42 T47 S48	F40-R44 VanDerWaalsContact CD1-CZ 3.42Å; F40-R44 HydrophobicContact CE1-CG 4.5Å; F40-R44 HydrophobicContact CE2-CG 4.37Å; F40-R44 HydrophobicContact CZ-CG 4.28Å; F40-R44 WeakPolarHBondContact O-CB 3.4Å; F40-R44 WeakPolarHBondContact O-CG 3.24Å; F40-R44 PolarHBondContact O-N 3.4Å; V42-R44 VanDerWaalsContact C-N 3.35Å; V42-R44 PolarHBondContact O-N 2.99Å; R44-T47 WeakPolarHBondContact CA-OG1 3.47Å; R44-T47 PolarHBondContact O-OG1 3.04Å; R44-S48 WeakPolarHBondContact O-CB 3.45Å; R44-S48 PolarHBondContact O-N 3.24Å; R44-S48 PolarHBondContact O-OG 2.91Å; R44-S48 VanDerWaalsContact O-OG 3.13Å
45	R	56	Low	53.6	Low	188 Å²	188	89.7 Å²	89.7	71%	0.709	44%	0.443	S	S	*	.	H	α-helix	trans	-62.9	-45.9	172.4	-81	-175.9	179.1	-173.3	0.6	110.5	A41 V42 L43 S48 S49	A41-R45 PolarHBondContact O-N 3.06Å; V42-R45 WeakPolarHBondContact O-CB 3.5Å; V42-R45 PolarHBondContact O-N 2.9Å; V42-R45 VanDerWaalsContact O-N 3.13Å; L43-R45 PolarHBondContact O-N 2.76Å; R45-S48 WeakPolarHBondContact CA-OG 3.32Å; R45-S48 PolarHBondContact O-N 3.2Å; R45-S48 PolarHBondContact O-OG 3.28Å; R45-S49 PolarHBondContact O-N 2.88Å; R45-S49 PolarHBondContact O-OG 3.25Å
46	Q	59.1	Low	52.9	Low	109 Å²	109	87.8 Å²	87.8	51%	0.509	44%	0.436	S	S	.	.	H	α-helix	trans	-62.6	-44.8	177.9	-72.2	178.6	-30.6	0	0	112.7	V42 L43 S49 A50	V42-Q46 PolarHBondContact O-N 2.76Å; L43-Q46 PolarHBondContact O-N 2.67Å; Q46-S49 WeakPolarHBondContact CA-OG 3.26Å; Q46-S49 PolarHBondContact O-N 3.27Å; Q46-S49 PolarHBondContact O-OG 3.32Å; Q46-A50 WeakPolarHBondContact O-CB 3.5Å; Q46-A50 PolarHBondContact O-N 3.37Å
47	T	49.9	Very low	52.3	Low	31 Å²	31	80.4 Å²	80.4	19%	0.19	42%	0.417	C	S	.	.	H	α-helix	trans	-68.9	-36.5	176.4	60.2	0	0	0	0	111.7	L43 R44 S49 A50 L51	L43-T47 WeakPolarHBondContact O-CG2 3.44Å; L43-T47 PolarHBondContact O-N 3.33Å; L43-T47 PolarHBondContact O-OG1 3.46Å; R44-T47 WeakPolarHBondContact CA-OG1 3.47Å; R44-T47 PolarHBondContact O-OG1 3.04Å; T47-S49 PolarHBondContact O-N 3.4Å; T47-A50 PolarHBondContact O-N 3.45Å; T47-L51 WeakPolarHBondContact O-CB 3.23Å; T47-L51 VanDerWaalsContact O-CG 3.25Å; T47-L51 WeakPolarHBondContact O-CG 3.47Å; T47-L51 PolarHBondContact O-N 2.86Å
48	S	50.2	Low	51.5	Low	31 Å²	31	77.8 Å²	77.8	22%	0.217	40%	0.399	C	S	.	.	H	α-helix	trans	-65.2	-38.3	175.6	73.6	0	0	0	0	112.9	R44 R45 L51 Q52	R44-S48 WeakPolarHBondContact O-CB 3.45Å; R44-S48 PolarHBondContact O-N 3.24Å; R44-S48 PolarHBondContact O-OG 2.91Å; R44-S48 VanDerWaalsContact O-OG 3.13Å; R45-S48 WeakPolarHBondContact CA-OG 3.32Å; R45-S48 PolarHBondContact O-N 3.2Å; R45-S48 PolarHBondContact O-OG 3.28Å; S48-L51 PolarHBondContact O-N 3.49Å; S48-Q52 WeakPolarHBondContact O-CG 3.41Å; S48-Q52 PolarHBondContact O-N 3.01Å
49	S	52.7	Low	50.8	Low	67 Å²	67	77.7 Å²	77.7	47%	0.469	40%	0.395	S	S	.	.	H	α-helix	trans	-69.3	-38.1	173.3	53.3	0	0	0	0	111.7	R45 Q46 T47 Q52 G53	R45-S49 PolarHBondContact O-N 2.88Å; R45-S49 PolarHBondContact O-OG 3.25Å; Q46-S49 WeakPolarHBondContact CA-OG 3.26Å; Q46-S49 PolarHBondContact O-N 3.27Å; Q46-S49 PolarHBondContact O-OG 3.32Å; T47-S49 PolarHBondContact O-N 3.4Å; S49-Q52 PolarHBondContact O-N 2.88Å; S49-G53 PolarHBondContact O-N 3.33Å
50	A	49.6	Very low	50	Low	43 Å²	43	75.4 Å²	75.4	36%	0.355	39%	0.389	S	S	.	.	H	α-helix	trans	-62.1	-45.4	174.1	0	0	0	0	0	110.9	Q46 T47 Q52 G53 V54 L156	Q46-A50 WeakPolarHBondContact O-CB 3.5Å; Q46-A50 PolarHBondContact O-N 3.37Å; T47-A50 PolarHBondContact O-N 3.45Å; A50-Q52 VanDerWaalsContact C-N 3.34Å; A50-Q52 PolarHBondContact O-N 2.86Å; A50-G53 WeakPolarHBondContact O-CA 3.17Å; A50-G53 PolarHBondContact O-N 3.45Å; A50-V54 WeakPolarHBondContact O-CG2 3.16Å; A50-V54 PolarHBondContact O-N 2.78Å; A50-L156 HydrophobicContact CB-CD2 4.44Å
51	L	47.7	Very low	49.9	Very low	45 Å²	45	73.9 Å²	73.9	24%	0.236	39%	0.386	C	S	.	.	H	α-helix	trans	-64.6	-32.4	176.9	-73.1	169.2	0	0	0	113.3	T47 S48 G53 V54 K55 L156 L197	T47-L51 WeakPolarHBondContact O-CB 3.23Å; T47-L51 VanDerWaalsContact O-CG 3.25Å; T47-L51 WeakPolarHBondContact O-CG 3.47Å; T47-L51 PolarHBondContact O-N 2.86Å; S48-L51 PolarHBondContact O-N 3.49Å; L51-G53 PolarHBondContact O-N 2.9Å; L51-V54 PolarHBondContact O-N 3.27Å; L51-V54 VanDerWaalsContact O-N 3.12Å; L51-K55 PolarHBondContact O-N 3.22Å; L51-K55 VanDerWaalsContact O-N 3.15Å; L51-L156 HydrophobicContact CD2-CD1 3.53Å; L51-L156 HydrophobicContact CG-CD1 4.11Å; L51-L197 HydrophobicContact CD1-CD1 3.94Å; L51-L197 HydrophobicContact CD1-CD2 4.43Å; L51-L197 HydrophobicContact CD1-CG 4.34Å
52	Q	52.2	Low	49.4	Very low	132 Å²	132	74.8 Å²	74.8	62%	0.617	39%	0.385	S	S	*	.	H	α-helix	trans	-63.1	-33.2	169.8	-78.2	178.5	-12.8	0	0	111.9	S48 S49 A50 V54 K55	S48-Q52 WeakPolarHBondContact O-CG 3.41Å; S48-Q52 PolarHBondContact O-N 3.01Å; S49-Q52 PolarHBondContact O-N 2.88Å; A50-Q52 VanDerWaalsContact C-N 3.34Å; A50-Q52 PolarHBondContact O-N 2.86Å; Q52-V54 VanDerWaalsContact C-N 3.33Å; Q52-K55 PolarHBondContact O-N 3.35Å
53	G	48.8	Very low	48.7	Very low	47 Å²	47	77.1 Å²	77.1	49%	0.485	39%	0.392	S	S	.	.	H	α-helix	trans	-64.7	-35.2	170.5	0	0	0	0	0	112.9	S49 A50 L51 P57	S49-G53 PolarHBondContact O-N 3.33Å; A50-G53 WeakPolarHBondContact O-CA 3.17Å; A50-G53 PolarHBondContact O-N 3.45Å; L51-G53 PolarHBondContact O-N 2.9Å; G53-P57 WeakPolarHBondContact O-CD 3.36Å
54	V	46.5	Very low	48	Very low	31 Å²	31	81.1 Å²	81.1	19%	0.188	41%	0.413	C	S	.	.	H	α-helix	trans	-75.4	-20	177.8	-154.5	0	0	0	0	112.5	A50 L51 Q52 R56 P57 F58	A50-V54 WeakPolarHBondContact O-CG2 3.16Å; A50-V54 PolarHBondContact O-N 2.78Å; L51-V54 PolarHBondContact O-N 3.27Å; L51-V54 VanDerWaalsContact O-N 3.12Å; Q52-V54 VanDerWaalsContact C-N 3.33Å; V54-R56 PolarHBondContact O-N 2.78Å; V54-P57 HydrophobicContact CG1-CG 4.26Å; V54-P57 WeakPolarHBondContact O-CD 3.11Å; V54-P57 WeakPolarHBondContact O-CG 3.23Å; V54-F58 HydrophobicContact CB-CD2 4.42Å; V54-F58 HydrophobicContact CB-CE2 3.79Å; V54-F58 HydrophobicContact CG1-CD2 3.98Å; V54-F58 HydrophobicContact CG1-CE1 4.49Å; V54-F58 HydrophobicContact CG1-CE2 3.14Å; V54-F58 HydrophobicContact CG1-CZ 3.45Å; V54-F58 VanDerWaalsContact CG1-CZ 3.45Å; V54-F58 WeakPolarHBondContact O-CD2 3.49Å; V54-F58 WeakPolarHBondContact O-CE2 3.44Å
55	K	47.1	Very low	47.7	Very low	111 Å²	111	81.2 Å²	81.2	48%	0.483	42%	0.424	S	S	.	.	H	α-helix	trans	-56.5	-33.8	174.5	-99.3	-164.4	172	-155.6	0	113.6	L51 Q52 F58 T59 D186	L51-K55 PolarHBondContact O-N 3.22Å; L51-K55 VanDerWaalsContact O-N 3.15Å; Q52-K55 PolarHBondContact O-N 3.35Å; K55-F58 PolarHBondContact O-N 2.82Å; K55-T59 PolarHBondContact O-N 3.49Å; K55-T59 PolarHBondContact O-OG1 3.23Å; K55-D186 IonicContact NZ-OD1 2.7Å
56	R	44.4	Very low	47	Very low	193 Å²	193	75.8 Å²	75.8	73%	0.728	41%	0.412	S	S	*	.	H	α-helix	trans	-65.8	-51.3	-177.6	-88.3	-175.7	173.2	118.3	-2.1	114.3	V54 F58 T59 D60	V54-R56 PolarHBondContact O-N 2.78Å; R56-F58 PolarHBondContact O-N 3.37Å; R56-T59 PolarHBondContact O-N 2.88Å; R56-T59 PolarHBondContact O-OG1 3.29Å; R56-D60 PolarHBondContact O-N 3.44Å
57	P	47.2	Very low	45.9	Very low	71 Å²	71	76.8 Å²	76.8	46%	0.461	42%	0.416	S	S	.	.	H	α-helix	trans	-63.5	-22.3	176.2	21.9	-33	0	0	0	113	G53 V54 L61	G53-P57 WeakPolarHBondContact O-CD 3.36Å; V54-P57 HydrophobicContact CG1-CG 4.26Å; V54-P57 WeakPolarHBondContact O-CD 3.11Å; V54-P57 WeakPolarHBondContact O-CG 3.23Å; P57-L61 WeakPolarHBondContact O-CB 3.29Å; P57-L61 PolarHBondContact O-N 2.8Å
58	F	42.9	Very low	45.4	Very low	18 Å²	18	83.4 Å²	83.4	8%	0.079	44%	0.444	C	S	.	.	H	α-helix	trans	-75.9	-43	177.1	-65.4	-53.9	0	0	0	113.9	V54 K55 R56 D60 L61 F62 V163 F189	V54-F58 HydrophobicContact CB-CD2 4.42Å; V54-F58 HydrophobicContact CB-CE2 3.79Å; V54-F58 HydrophobicContact CG1-CD2 3.98Å; V54-F58 HydrophobicContact CG1-CE1 4.49Å; V54-F58 HydrophobicContact CG1-CE2 3.14Å; V54-F58 HydrophobicContact CG1-CZ 3.45Å; V54-F58 VanDerWaalsContact CG1-CZ 3.45Å; V54-F58 WeakPolarHBondContact O-CD2 3.49Å; V54-F58 WeakPolarHBondContact O-CE2 3.44Å; K55-F58 PolarHBondContact O-N 2.82Å; R56-F58 PolarHBondContact O-N 3.37Å; F58-D60 PolarHBondContact O-N 2.78Å; F58-L61 PolarHBondContact O-N 3.35Å; F58-F62 WeakPolarHBondContact O-CD2 3.44Å; F58-F62 PolarHBondContact O-N 2.87Å; F58-F62 VanDerWaalsContact O-N 3.09Å; F58-V163 HydrophobicContact CD1-CG1 3.59Å; F58-V163 HydrophobicContact CE1-CB 3.67Å; F58-V163 HydrophobicContact CE1-CG1 3.06Å; F58-V163 HydrophobicContact CE1-CG2 4.43Å; F58-V163 HydrophobicContact CE2-CG1 4.32Å; F58-V163 HydrophobicContact CG-CG1 4.46Å; F58-V163 HydrophobicContact CZ-CB 3.75Å; F58-V163 HydrophobicContact CZ-CG1 3.5Å; F58-V163 VanDerWaalsContact CZ-CG1 3.5Å; F58-V163 HydrophobicContact CZ-CG2 4.06Å; F58-F189 HydrophobicContact CB-CE1 4.26Å; F58-F189 HydrophobicContact CB-CE2 3.93Å; F58-F189 HydrophobicContact CB-CZ 3.36Å; F58-F189 AromaticContact CD1-CZ 3.95Å; F58-F189 HydrophobicContact CD1-CZ 3.95Å; F58-F189 AromaticContact CD2-CE1 3.28Å; F58-F189 HydrophobicContact CD2-CE1 3.28Å; F58-F189 HydrophobicContact CD2-CE2 4.47Å; F58-F189 AromaticContact CD2-CZ 3.27Å; F58-F189 HydrophobicContact CD2-CZ 3.27Å; F58-F189 AromaticContact CE2-CE1 3.63Å; F58-F189 HydrophobicContact CE2-CE1 3.63Å; F58-F189 AromaticContact CE2-CZ 3.99Å; F58-F189 HydrophobicContact CE2-CZ 3.99Å; F58-F189 AromaticContact CG-CE1 3.81Å; F58-F189 HydrophobicContact CG-CE1 3.81Å; F58-F189 HydrophobicContact CG-CE2 4.3Å; F58-F189 AromaticContact CG-CZ 3.26Å; F58-F189 HydrophobicContact CG-CZ 3.26Å; F58-F189 HydrophobicContact CZ-CE1 4.44Å
59	T	45.6	Very low	45.1	Very low	71 Å²	71	92.1 Å²	92.1	44%	0.436	47%	0.472	S	S	.	.	H	α-helix	trans	-56.5	-41.4	170.1	33.8	0	0	0	0	110.2	K55 R56 F62 H63	K55-T59 PolarHBondContact O-N 3.49Å; K55-T59 PolarHBondContact O-OG1 3.23Å; R56-T59 PolarHBondContact O-N 2.88Å; R56-T59 PolarHBondContact O-OG1 3.29Å; T59-F62 PolarHBondContact O-N 2.78Å; T59-H63 VanDerWaalsContact C-CD2 3.5Å; T59-H63 WeakPolarHBondContact O-CB 3.48Å; T59-H63 PolarHBondContact O-CD2 3.49Å; T59-H63 VanDerWaalsContact O-CG 3.23Å; T59-H63 PolarHBondContact O-N 3.42Å
60	D	45.1	Very low	44.5	Very low	96 Å²	96	96.8 Å²	96.8	51%	0.513	49%	0.487	S	S	.	.	H	α-helix	trans	-66.6	-39.8	178.6	-65.1	-15.2	0	0	0	112.3	R56 F58 F62 H63 L64	R56-D60 PolarHBondContact O-N 3.44Å; F58-D60 PolarHBondContact O-N 2.78Å; D60-F62 VanDerWaalsContact C-N 3.34Å; D60-F62 PolarHBondContact O-N 3.45Å; D60-H63 CarbonylContact O-C 3.59Å; D60-H63 PolarHBondContact O-N 3.09Å; D60-L64 WeakPolarHBondContact O-CB 3.38Å; D60-L64 WeakPolarHBondContact O-CG 3.41Å; D60-L64 PolarHBondContact O-N 2.84Å
61	L	45.9	Very low	44	Very low	83 Å²	83	99.9 Å²	99.9	44%	0.435	51%	0.506	S	S	.	.	H	α-helix	trans	-64.3	-37.4	177	-154.7	77.9	0	0	0	112.4	P57 F58	P57-L61 WeakPolarHBondContact O-CB 3.29Å; P57-L61 PolarHBondContact O-N 2.8Å; F58-L61 PolarHBondContact O-N 3.35Å
62	F	43.9	Very low	43.3	Very low	45 Å²	45	102.8 Å²	102.8	20%	0.197	53%	0.526	C	S	.	.	H	α-helix	trans	-74.7	-34.6	175.1	-74.4	-71.6	0	0	0	112.2	F58 T59 D60 S65 L170 M180 V185 F189	F58-F62 WeakPolarHBondContact O-CD2 3.44Å; F58-F62 PolarHBondContact O-N 2.87Å; F58-F62 VanDerWaalsContact O-N 3.09Å; T59-F62 PolarHBondContact O-N 2.78Å; D60-F62 VanDerWaalsContact C-N 3.34Å; D60-F62 PolarHBondContact O-N 3.45Å; F62-S65 WeakPolarHBondContact O-CB 3.46Å; F62-S65 PolarHBondContact O-N 3.45Å; F62-S65 PolarHBondContact O-OG 3.44Å; F62-L170 HydrophobicContact CE1-CD1 3.96Å; F62-L170 HydrophobicContact CZ-CD1 4.14Å; F62-M180 HydrophobicContact CE1-SD 4.45Å; F62-V185 HydrophobicContact CD2-CG1 4.09Å; F62-V185 HydrophobicContact CE2-CG1 4.03Å; F62-F189 HydrophobicContact CE2-CE2 4.31Å
63	H	44.3	Very low	42.7	Very low	110 Å²	110	101.3 Å²	101.3	51%	0.509	54%	0.536	S	S	.	.	H	α-helix	trans	-72.7	-25.7	172.4	-67.4	-52.1	0	0	0	113.4	T59 D60 S65 T66 H67	T59-H63 VanDerWaalsContact C-CD2 3.5Å; T59-H63 WeakPolarHBondContact O-CB 3.48Å; T59-H63 PolarHBondContact O-CD2 3.49Å; T59-H63 VanDerWaalsContact O-CG 3.23Å; T59-H63 PolarHBondContact O-N 3.42Å; D60-H63 CarbonylContact O-C 3.59Å; D60-H63 PolarHBondContact O-N 3.09Å; H63-S65 VanDerWaalsContact C-N 3.25Å; H63-S65 PolarHBondContact O-N 3.24Å; H63-T66 PolarHBondContact O-N 3.17Å; H63-T66 PolarHBondContact O-OG1 3.49Å; H63-H67 PolarHBondContact O-CD2 2.94Å; H63-H67 PolarHBondContact O-N 2.96Å
64	L	38.5	Very low	42.3	Very low	115 Å²	115	104 Å²	104	60%	0.602	55%	0.554	S	S	*	*	H	α-helix	trans	-68.7	-26.3	172.6	-76.7	166.5	0	0	0	112	D60 T66 H67 H68	D60-L64 WeakPolarHBondContact O-CB 3.38Å; D60-L64 WeakPolarHBondContact O-CG 3.41Å; D60-L64 PolarHBondContact O-N 2.84Å; L64-T66 VanDerWaalsContact C-N 3.29Å; L64-T66 PolarHBondContact O-N 2.81Å; L64-H67 PolarHBondContact O-N 3.42Å; L64-H68 PolarHBondContact O-N 3.38Å
65	S	43.3	Very low	42.1	Very low	69 Å²	69	111.5 Å²	111.5	48%	0.483	58%	0.584	S	S	.	*	H	α-helix	trans	-66.9	-30	173.1	79.6	0	0	0	0	112.8	F62 H63	F62-S65 WeakPolarHBondContact O-CB 3.46Å; F62-S65 PolarHBondContact O-N 3.45Å; F62-S65 PolarHBondContact O-OG 3.44Å; H63-S65 VanDerWaalsContact C-N 3.25Å; H63-S65 PolarHBondContact O-N 3.24Å
66	T	41.4	Very low	41.6	Very low	74 Å²	74	112.6 Å²	112.6	45%	0.454	60%	0.595	S	S	.	*	H	α-helix	trans	-79.4	-24.6	178.1	54.5	0	0	0	0	112.9	H63 L64	H63-T66 PolarHBondContact O-N 3.17Å; H63-T66 PolarHBondContact O-OG1 3.49Å; L64-T66 VanDerWaalsContact C-N 3.29Å; L64-T66 PolarHBondContact O-N 2.81Å
67	H	37.5	Very low	41.5	Very low	130 Å²	130	112.3 Å²	112.3	60%	0.602	60%	0.602	S	S	*	*	H	α-helix	trans	-89.1	-12	-178.2	-81.8	-67.3	0	0	0	115.3	H63 L64 R69	H63-H67 PolarHBondContact O-CD2 2.94Å; H63-H67 PolarHBondContact O-N 2.96Å; L64-H67 PolarHBondContact O-N 3.42Å; H67-R69 PolarHBondContact O-N 3.27Å
68	H	39.4	Very low	41.2	Very low	169 Å²	169	112.7 Å²	112.7	78%	0.782	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-7.8	176	-153	-11.5	0	0	0	113.2	L64	L64-H68 PolarHBondContact O-N 3.38Å
69	R	43.3	Very low	41	Very low	214 Å²	214	117.6 Å²	117.6	81%	0.808	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120	27.3	-176.8	-136	-168.5	-179	-176.6	2.5	116.1	H67	H67-R69 PolarHBondContact O-N 3.27Å
70	E	39.1	Very low	40.6	Very low	166 Å²	166	119.7 Å²	119.7	78%	0.776	65%	0.65	S	S	*	*	S	Bend	trans	-99.7	10.7	164.7	-151.4	167.6	-167	0	0	113.6
71	S	39.3	Very low	40.4	Very low	108 Å²	108	117.7 Å²	117.7	76%	0.755	65%	0.647	S	S	*	*	S	Bend	trans	-135.1	71.9	164.3	-168	0	0	0	0	110.5
72	T	33.8	Very low	40.6	Very low	106 Å²	106	123.6 Å²	123.6	65%	0.65	67%	0.672	S	S	*	*			trans	-162.3	92.9	144.2	25.2	0	0	0	0	105.8	A74	T72-A74 PolarHBondContact O-N 3.48Å
73	A	38.4	Very low	41.1	Very low	101 Å²	101	126.8 Å²	126.8	84%	0.835	69%	0.691	S	S	*	*			trans	-49.6	128.2	165.8	0	0	0	0	0	108.4	K75	A73-K75 PolarHBondContact O-N 2.87Å
74	A	41.1	Very low	40.8	Very low	104 Å²	104	124.6 Å²	124.6	86%	0.86	70%	0.698	S	S	*	*	S	Bend	trans	-54	99.1	177.6	0	0	0	0	0	111.1	T72	T72-A74 PolarHBondContact O-N 3.48Å
75	K	42.3	Very low	40.7	Very low	187 Å²	187	128.4 Å²	128.4	81%	0.813	70%	0.704	S	S	*	*			trans	-153.7	91.5	157.4	-109.9	173.5	179.2	178.2	0	105.9	A73	A73-K75 PolarHBondContact O-N 2.87Å
76	D	38	Very low	40.3	Very low	135 Å²	135	131.3 Å²	131.3	72%	0.722	72%	0.719	S	S	*	*			trans	175.9	86.2	137.6	-83	-17.2	0	0	0	107.1	S78	D76-S78 PolarHBondContact O-N 2.79Å
77	Q	41.7	Very low	40.2	Very low	187 Å²	187	133.4 Å²	133.4	87%	0.874	73%	0.732	S	S	*	*			trans	-61.1	90.1	154.3	-67	-179.7	8.2	0	0	106.3	T79	Q77-T79 VanDerWaalsContact C-N 3.27Å; Q77-T79 PolarHBondContact O-N 3.18Å
78	S	39.8	Very low	40.4	Very low	78 Å²	78	131.3 Å²	131.3	55%	0.545	74%	0.736	S	S	.	*			trans	-65.1	97.2	162.2	-177.1	0	0	0	0	106.5	D76 V80	D76-S78 PolarHBondContact O-N 2.79Å; S78-V80 PolarHBondContact O-N 3.4Å
79	T	39.5	Very low	40.6	Very low	122 Å²	122	128 Å²	128	75%	0.748	73%	0.732	S	S	*	*			trans	-66.2	102.8	168.4	51.6	0	0	0	0	106.9	Q77 A81	Q77-T79 VanDerWaalsContact C-N 3.27Å; Q77-T79 PolarHBondContact O-N 3.18Å; T79-A81 PolarHBondContact O-N 3.43Å
80	V	36.6	Very low	40.2	Very low	115 Å²	115	128.9 Å²	128.9	70%	0.697	74%	0.736	S	S	*	*			trans	-60.5	107.2	170.1	177.2	0	0	0	0	107.2	S78	S78-V80 PolarHBondContact O-N 3.4Å
81	A	41.8	Very low	40	Very low	54 Å²	54	128.1 Å²	128.1	45%	0.446	74%	0.737	S	S	.	*			trans	-63.2	138.3	164.9	0	0	0	0	0	108.1	T79 D83 G84	T79-A81 PolarHBondContact O-N 3.43Å; A81-D83 PolarHBondContact O-N 3.43Å; A81-G84 PolarHBondContact O-N 2.92Å; A81-G84 VanDerWaalsContact O-N 3.08Å
82	H	48.8	Very low	40	Very low	207 Å²	207	129.2 Å²	129.2	96%	0.958	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	6.8	-173.9	-90.2	-60.2	0	0	0	115.5
83	D	54.8	Low	40.1	Very low	112 Å²	112	130.5 Å²	130.5	60%	0.599	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	6.5	173.3	75.5	-19.4	0	0	0	114.1	A81 R85	A81-D83 PolarHBondContact O-N 3.43Å; D83-R85 VanDerWaalsContact C-N 3.3Å; D83-R85 PolarHBondContact O-N 3.38Å
84	G	37.9	Very low	40	Very low	63 Å²	63	130.9 Å²	130.9	65%	0.649	74%	0.738	S	S	*	*			trans	73.1	15.1	167.9	0	0	0	0	0	115.2	A81	A81-G84 PolarHBondContact O-N 2.92Å; A81-G84 VanDerWaalsContact O-N 3.08Å
85	R	36.2	Very low	39.7	Very low	195 Å²	195	134.8 Å²	134.8	74%	0.736	74%	0.736	S	S	*	*			trans	-94.9	114.4	172.2	-76.1	-178.3	173.2	177.8	-0.3	111	D83 V87	D83-R85 VanDerWaalsContact C-N 3.3Å; D83-R85 PolarHBondContact O-N 3.38Å; R85-V87 PolarHBondContact O-N 2.86Å; R85-V87 VanDerWaalsContact O-N 3.15Å
86	V	36.2	Very low	39.2	Very low	130 Å²	130	130.8 Å²	130.8	79%	0.788	73%	0.732	S	S	*	*			trans	-72	102.9	172.5	-179.1	0	0	0	0	108.4	A88	V86-A88 PolarHBondContact O-N 2.93Å
87	V	39	Very low	39.1	Very low	119 Å²	119	132.7 Å²	132.7	72%	0.721	74%	0.736	S	S	*	*			trans	-86.3	108.9	169.4	-178.9	0	0	0	0	107.4	R85 S89	R85-V87 PolarHBondContact O-N 2.86Å; R85-V87 VanDerWaalsContact O-N 3.15Å; V87-S89 PolarHBondContact O-N 2.95Å
88	A	42.3	Very low	38.8	Very low	85 Å²	85	131.2 Å²	131.2	70%	0.702	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-66.5	119.4	171.5	0	0	0	0	0	109	V86 R90	V86-A88 PolarHBondContact O-N 2.93Å; A88-R90 PolarHBondContact O-N 2.87Å
89	S	43	Very low	38.7	Very low	99 Å²	99	131.3 Å²	131.3	69%	0.692	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-59.8	119	173.1	-66.7	0	0	0	0	109.2	V87	V87-S89 PolarHBondContact O-N 2.95Å
90	R	34.5	Very low	38.6	Very low	233 Å²	233	131.6 Å²	131.6	88%	0.879	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-64.6	134.8	172.4	-103.7	176.4	167.1	167.4	-4.5	109.7	A88 V92	A88-R90 PolarHBondContact O-N 2.87Å; R90-V92 PolarHBondContact O-N 3.19Å
91	D	35.6	Very low	38.6	Very low	151 Å²	151	133.5 Å²	133.5	81%	0.807	76%	0.755	S	S	*	*			trans	-42.2	120.2	163.7	-81	-49.2	0	0	0	110.7
92	V	39.6	Very low	38.3	Very low	130 Å²	130	141.3 Å²	141.3	79%	0.788	77%	0.773	S	S	*	*			trans	-124	96.6	158.6	-159.5	0	0	0	0	106.5	R90 S94	R90-V92 PolarHBondContact O-N 3.19Å; V92-S94 PolarHBondContact O-N 3.38Å
93	D	34.9	Very low	37.7	Very low	133 Å²	133	137.2 Å²	137.2	71%	0.711	76%	0.758	S	S	*	*			trans	-44.7	124.1	161.4	-66.6	-61.5	0	0	0	111
94	S	36.1	Very low	36.8	Very low	110 Å²	110	140.1 Å²	140.1	77%	0.769	77%	0.768	S	S	*	*			trans	-154.1	85.8	156.3	-89.4	0	0	0	0	111.3	V92	V92-S94 PolarHBondContact O-N 3.38Å
95	F	34.7	Very low	36.9	Very low	185 Å²	185	142.8 Å²	142.8	81%	0.811	78%	0.777	S	S	*	*				46.5	127.4	123.8	-79.5	-84.4	0	0	0	122
96	S	32.3	Very low	36.9	Very low	103 Å²	103	141.2 Å²	141.2	72%	0.72	78%	0.778	S	S	*	*			trans	73.1	120.1	138.3	-68.2	0	0	0	0	118.6
97	Q	35.6	Very low	37.3	Very low	175 Å²	175	140.7 Å²	140.7	82%	0.818	78%	0.78	S	S	*	*				176.7	124	78.2	-164.5	166.7	14.2	0	0	110.5
98	D	36.2	Very low	37.1	Very low	157 Å²	157	140.6 Å²	140.6	84%	0.84	78%	0.779	S	S	*	*			trans	26.6	105.1	154.1	-60.8	-43.8	0	0	0	120.1
99	G	38.2	Very low	37.3	Very low	80 Å²	80	144.1 Å²	144.1	83%	0.825	79%	0.785	S	S	*	*			trans	-149.4	78.7	166.9	0	0	0	0	0	110.7
100	T	35.7	Very low	36.8	Very low	127 Å²	127	147.9 Å²	147.9	78%	0.779	79%	0.792	S	S	*	*			trans	-36.3	123.8	178.9	0.7	0	0	0	0	117.5
101	L	37.7	Very low	36.8	Very low	155 Å²	155	148 Å²	148	81%	0.812	79%	0.792	S	S	*	*			trans	38	122.5	131.6	-56.8	173.8	0	0	0	119.6
102	R	34.7	Very low	36.8	Very low	219 Å²	219	151.2 Å²	151.2	83%	0.826	79%	0.793	S	S	*	*				176.5	145.4	102.9	-101.4	177.4	93.2	176.3	9.2	115
103	N	36.9	Very low	36.6	Very low	121 Å²	121	151.1 Å²	151.1	65%	0.647	80%	0.795	S	S	*	*			trans	88.2	81.6	152.6	-61	-13.5	0	0	0	118
104	E	35.7	Very low	36.6	Very low	172 Å²	172	150 Å²	150	80%	0.804	80%	0.797	S	S	*	*			trans	-25.5	129.3	132.1	-56.1	171.7	116	0	0	114.5
105	S	40.7	Very low	36.5	Very low	119 Å²	119	150.2 Å²	150.2	83%	0.832	80%	0.799	S	S	*	*			trans	-142.1	88.9	140.8	50	0	0	0	0	108
106	Q	36	Very low	36.5	Very low	163 Å²	163	146.2 Å²	146.2	76%	0.762	79%	0.794	S	S	*	*			trans	-58.4	124.5	159.8	-69.6	169.9	-18	0	0	108.7
107	S	43.6	Very low	36.9	Very low	118 Å²	118	146.6 Å²	146.6	83%	0.825	80%	0.803	S	S	*	*			trans	-125.2	86.1	155.2	74.5	0	0	0	0	109.2	I109	S107-I109 PolarHBondContact O-N 3.33Å
108	T	35.4	Very low	36.9	Very low	117 Å²	117	146.1 Å²	146.1	72%	0.718	80%	0.801	S	S	*	*			trans	-70.5	108.5	166.5	-48.4	0	0	0	0	108.9
109	I	45.7	Very low	36.9	Very low	160 Å²	160	144.8 Å²	144.8	82%	0.821	80%	0.798	S	S	*	*			trans	-133.9	83.8	153.9	-59.8	-178.8	0	0	0	108.1	S107	S107-I109 PolarHBondContact O-N 3.33Å
110	E	32.5	Very low	36.7	Very low	178 Å²	178	147.1 Å²	147.1	83%	0.832	80%	0.796	S	S	*	*			trans	-59.4	126.7	141.5	-89.4	-167	129.2	0	0	109.3
111	R	36	Very low	36.8	Very low	234 Å²	234	145.7 Å²	145.7	88%	0.883	79%	0.792	S	S	*	*			trans	177	94.8	137.2	-103.4	176.9	-153.9	154.1	7.6	107.8
112	R	34.1	Very low	36.4	Very low	219 Å²	219	142.9 Å²	142.9	83%	0.826	78%	0.781	S	S	*	*				72.4	113.4	92.4	-160.6	175.5	-166.7	140.5	0.4	111.6	S114	R112-S114 PolarHBondContact O-N 3.27Å; R112-S114 VanDerWaalsContact O-N 3.15Å
113	P	36	Very low	36.4	Very low	128 Å²	128	140.5 Å²	140.5	83%	0.831	78%	0.777	S	S	*	*			trans	-73.6	106.6	176.9	29.4	-30.8	0	0	0	108.9	S115	P113-S115 PolarHBondContact O-N 3.22Å
114	S	35	Very low	36.3	Very low	109 Å²	109	142.1 Å²	142.1	76%	0.762	78%	0.781	S	S	*	*			trans	-84.2	103.5	170.7	-52.9	0	0	0	0	108.4	R112 S116	R112-S114 PolarHBondContact O-N 3.27Å; R112-S114 VanDerWaalsContact O-N 3.15Å; S114-S116 PolarHBondContact O-N 3.35Å
115	S	34.3	Very low	36.1	Very low	115 Å²	115	141 Å²	141	80%	0.804	78%	0.78	S	S	*	*			trans	-52.7	126.4	155.7	55.9	0	0	0	0	109.9	P113	P113-S115 PolarHBondContact O-N 3.22Å
116	S	34.6	Very low	36	Very low	102 Å²	102	140.1 Å²	140.1	71%	0.713	78%	0.78	S	S	*	*			trans	-150.5	64.1	152.8	75.2	0	0	0	0	109.5	S114 E118	S114-S116 PolarHBondContact O-N 3.35Å; S116-E118 PolarHBondContact O-N 2.87Å
117	A	39.5	Very low	35.9	Very low	110 Å²	110	136.2 Å²	136.2	91%	0.909	78%	0.776	S	S	*	*			trans	-82.8	70.8	150.7	0	0	0	0	0	106.6
118	E	36.4	Very low	35.5	Very low	166 Å²	166	140.6 Å²	140.6	78%	0.776	78%	0.78	S	S	*	*			trans	-136.5	145.8	174.5	-90.7	-168.5	157.7	0	0	110.3	S116	S116-E118 PolarHBondContact O-N 2.87Å
119	V	37.2	Very low	35.3	Very low	128 Å²	128	142.9 Å²	142.9	78%	0.776	78%	0.783	S	S	*	*			trans	84.9	82.8	169.6	-161.6	0	0	0	0	112.9
120	V	34.1	Very low	35	Very low	129 Å²	129	140.6 Å²	140.6	78%	0.782	78%	0.778	S	S	*	*				40.4	113.3	71.8	-176.7	0	0	0	0	112.4
121	S	36.6	Very low	35.2	Very low	98 Å²	98	137.9 Å²	137.9	69%	0.685	77%	0.774	S	S	*	*			trans	165.8	102.4	148.6	174.8	0	0	0	0	108.4
122	T	29.9	Very low	35.2	Very low	95 Å²	95	130.7 Å²	130.7	58%	0.583	76%	0.76	S	S	*	*				90.4	144.8	72.4	63.2	0	0	0	0	113.9
123	F	34.8	Very low	35.6	Very low	169 Å²	169	125.3 Å²	125.3	74%	0.741	75%	0.753	S	S	*	*			trans	74.1	138.8	168.9	-55.4	-81.9	0	0	0	115.5
124	E	34	Very low	35.8	Very low	156 Å²	156	122.3 Å²	122.3	73%	0.729	74%	0.739	S	S	*	*			cis	-166.4	130.3	5.9	-122.2	161.9	-167.7	0	0	105.7
125	D	31.3	Very low	35.7	Very low	148 Å²	148	119.1 Å²	119.1	79%	0.791	72%	0.724	S	S	*	*				54.7	93.5	107.6	-152	11.3	0	0	0	115.3
126	A	38.6	Very low	36	Very low	100 Å²	100	121 Å²	121	83%	0.826	72%	0.719	S	S	*	*			trans	-150.3	91	150.4	0	0	0	0	0	108.1	F128	A126-F128 PolarHBondContact O-N 3.38Å
127	A	34	Very low	36.5	Very low	82 Å²	82	119.7 Å²	119.7	68%	0.678	71%	0.711	S	S	*	*			trans	-46.5	119.5	168.3	0	0	0	0	0	112.7
128	F	34.8	Very low	36.5	Very low	210 Å²	210	118.4 Å²	118.4	92%	0.921	69%	0.694	S	S	*	*			trans	-158.1	88.9	146.4	-108.8	-78.4	0	0	0	108.6	A126	A126-F128 PolarHBondContact O-N 3.38Å
129	E	31.3	Very low	37	Very low	165 Å²	165	118.1 Å²	118.1	77%	0.771	69%	0.69	S	S	*	*			trans	-77.5	157.7	149.1	-100.8	-150.6	156.4	0	0	108.7
130	P	40.4	Very low	37.4	Very low	111 Å²	111	115 Å²	115	72%	0.721	68%	0.678	S	S	*	*			cis	-138.8	154.6	30.8	33	-10.7	0	0	0	117.9
131	T	36.3	Very low	38.1	Very low	122 Å²	122	111 Å²	111	75%	0.748	66%	0.658	S	S	*	*			trans	39.4	96.1	137.2	-30.7	0	0	0	0	120.3
132	S	36.4	Very low	38.9	Very low	83 Å²	83	110.7 Å²	110.7	58%	0.58	65%	0.652	S	S	*	*			trans	-125.8	129.6	147.6	172.5	0	0	0	0	108.6	A134 G135	S132-A134 PolarHBondContact O-N 3.19Å; S132-G135 PolarHBondContact O-N 3.4Å; S132-G135 VanDerWaalsContact O-N 3.11Å
133	P	42.5	Very low	40.1	Very low	105 Å²	105	110.6 Å²	110.6	68%	0.682	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-2	-179.5	25.4	-33.3	0	0	0	114	G135	P133-G135 PolarHBondContact O-N 3.4Å
134	A	39.7	Very low	41	Very low	66 Å²	66	104 Å²	104	55%	0.545	63%	0.627	S	S	.	*	H	α-helix	trans	-64.8	-17.9	168.7	0	0	0	0	0	113.7	S132 S137	S132-A134 PolarHBondContact O-N 3.19Å; A134-S137 PolarHBondContact O-OG 3.4Å; A134-S137 VanDerWaalsContact O-OG 3.12Å
135	G	32.8	Very low	41.9	Very low	42 Å²	42	101 Å²	101	43%	0.433	61%	0.613	S	S	.	*	H	α-helix	trans	-81.6	-26.2	-179.5	0	0	0	0	0	115.2	S132 P133 C138 K139	S132-G135 PolarHBondContact O-N 3.4Å; S132-G135 VanDerWaalsContact O-N 3.11Å; P133-G135 PolarHBondContact O-N 3.4Å; G135-C138 PolarHBondContact O-N 2.86Å; G135-K139 PolarHBondContact O-N 3.41Å
136	E	41.6	Very low	43.2	Very low	153 Å²	153	99.1 Å²	99.1	72%	0.715	60%	0.603	S	S	*	*	H	α-helix	trans	-71.6	-36.5	-178.5	-72.6	-174.4	157.5	0	0	111.8	C138 K139 A140	E136-C138 VanDerWaalsContact C-N 3.29Å; E136-C138 PolarHBondContact O-N 2.84Å; E136-K139 PolarHBondContact O-N 2.9Å; E136-A140 VanDerWaalsContact O-CB 3.31Å; E136-A140 WeakPolarHBondContact O-CB 3.41Å; E136-A140 PolarHBondContact O-N 3.21Å
137	S	44.1	Very low	44	Very low	76 Å²	76	99.6 Å²	99.6	53%	0.531	59%	0.591	S	S	.	*	H	α-helix	trans	-65.1	-31.4	177	45	0	0	0	0	113.1	A134 A141	A134-S137 PolarHBondContact O-OG 3.4Å; A134-S137 VanDerWaalsContact O-OG 3.12Å; S137-A141 WeakPolarHBondContact O-CB 3.42Å; S137-A141 PolarHBondContact O-N 3.17Å
138	C	39.1	Very low	45.3	Very low	82 Å²	82	99.8 Å²	99.8	55%	0.554	58%	0.58	S	S	*	*	H	α-helix	trans	-75.7	-43.7	177.2	-72.2	0	0	0	0	111.5	G135 E136 A141 V142	G135-C138 PolarHBondContact O-N 2.86Å; E136-C138 VanDerWaalsContact C-N 3.29Å; E136-C138 PolarHBondContact O-N 2.84Å; C138-A141 PolarHBondContact O-N 2.89Å; C138-V142 WeakPolarHBondContact O-CB 3.32Å; C138-V142 WeakPolarHBondContact O-CG2 3.1Å; C138-V142 PolarHBondContact O-N 3.37Å
139	K	46.7	Very low	46.9	Very low	160 Å²	160	94.4 Å²	94.4	70%	0.696	56%	0.56	S	S	*	*	H	α-helix	trans	-64.2	-40.1	174.6	-75.9	-175	177.9	178.9	0	111.7	G135 E136 V142 N143	G135-K139 PolarHBondContact O-N 3.41Å; E136-K139 PolarHBondContact O-N 2.9Å; K139-V142 PolarHBondContact O-N 2.89Å; K139-N143 VanDerWaalsContact O-CB 3.23Å; K139-N143 WeakPolarHBondContact O-CB 3.46Å; K139-N143 PolarHBondContact O-N 2.91Å; K139-N143 PolarHBondContact O-ND2 3.5Å; K139-N143 PolarHBondContact O-OD1 3.46Å
140	A	46.6	Very low	48.5	Very low	63 Å²	63	91 Å²	91	52%	0.521	54%	0.544	S	S	.	.	H	α-helix	trans	-67	-37.6	175.2	0	0	0	0	0	112.6	E136 G144	E136-A140 VanDerWaalsContact O-CB 3.31Å; E136-A140 WeakPolarHBondContact O-CB 3.41Å; E136-A140 PolarHBondContact O-N 3.21Å; A140-G144 PolarHBondContact O-N 2.92Å
141	A	48.5	Very low	49.3	Very low	45 Å²	45	91.7 Å²	91.7	37%	0.372	54%	0.538	S	S	.	.	H	α-helix	trans	-67	-41.8	174.4	0	0	0	0	0	112.1	S137 C138 G144 E145	S137-A141 WeakPolarHBondContact O-CB 3.42Å; S137-A141 PolarHBondContact O-N 3.17Å; C138-A141 PolarHBondContact O-N 2.89Å; A141-G144 PolarHBondContact O-N 3.42Å; A141-E145 WeakPolarHBondContact O-CB 3.2Å; A141-E145 WeakPolarHBondContact O-CG 3.18Å; A141-E145 PolarHBondContact O-N 3.36Å
142	V	52.7	Low	50.5	Low	91 Å²	91	87.9 Å²	87.9	55%	0.552	51%	0.513	S	S	*	.	H	α-helix	trans	-66.6	-43.7	175.6	173	0	0	0	0	110.8	C138 K139 G144 E145 L146	C138-V142 WeakPolarHBondContact O-CB 3.32Å; C138-V142 WeakPolarHBondContact O-CG2 3.1Å; C138-V142 PolarHBondContact O-N 3.37Å; K139-V142 PolarHBondContact O-N 2.89Å; V142-G144 VanDerWaalsContact C-N 3.34Å; V142-G144 PolarHBondContact O-N 3.4Å; V142-E145 PolarHBondContact O-N 2.88Å; V142-L146 WeakPolarHBondContact O-CB 2.83Å; V142-L146 PolarHBondContact O-N 2.86Å
143	N	56.7	Low	51.9	Low	94 Å²	94	86.7 Å²	86.7	50%	0.503	51%	0.508	S	S	.	.	H	α-helix	trans	-64.4	-39.9	175.4	-70.4	-8.7	0	0	0	111.3	K139 L146 L147	K139-N143 VanDerWaalsContact O-CB 3.23Å; K139-N143 WeakPolarHBondContact O-CB 3.46Å; K139-N143 PolarHBondContact O-N 2.91Å; K139-N143 PolarHBondContact O-ND2 3.5Å; K139-N143 PolarHBondContact O-OD1 3.46Å; N143-L146 PolarHBondContact O-N 2.97Å; N143-L147 WeakPolarHBondContact O-CB 3.24Å; N143-L147 VanDerWaalsContact O-CG 3.22Å; N143-L147 WeakPolarHBondContact O-CG 3.19Å; N143-L147 PolarHBondContact O-N 3.09Å
144	G	53.5	Low	53	Low	29 Å²	29	87.4 Å²	87.4	30%	0.299	50%	0.5	S	S	.	.	H	α-helix	trans	-66.7	-38.9	175.3	0	0	0	0	0	112.9	A140 A141 V142 L148	A140-G144 PolarHBondContact O-N 2.92Å; A141-G144 PolarHBondContact O-N 3.42Å; V142-G144 VanDerWaalsContact C-N 3.34Å; V142-G144 PolarHBondContact O-N 3.4Å; G144-L148 WeakPolarHBondContact O-CB 3.11Å; G144-L148 VanDerWaalsContact O-CG 3.31Å; G144-L148 WeakPolarHBondContact O-CG 3.41Å; G144-L148 PolarHBondContact O-N 2.97Å
145	E	53.2	Low	54.1	Low	93 Å²	93	88.6 Å²	88.6	44%	0.435	49%	0.493	S	S	.	.	H	α-helix	trans	-67.4	-39.7	173.6	-77.3	177.1	-174.2	0	0	111.8	K39 A141 V142 L148 L149	K39-E145 IonicContact NZ-OE1 2.82Å; K39-E145 PolarHBondContact NZ-OE1 2.87Å; A141-E145 WeakPolarHBondContact O-CB 3.2Å; A141-E145 WeakPolarHBondContact O-CG 3.18Å; A141-E145 PolarHBondContact O-N 3.36Å; V142-E145 PolarHBondContact O-N 2.88Å; E145-L148 PolarHBondContact O-N 3.3Å; E145-L149 WeakPolarHBondContact O-CB 3.31Å; E145-L149 WeakPolarHBondContact O-CD1 3.29Å; E145-L149 WeakPolarHBondContact O-CG 3.4Å; E145-L149 PolarHBondContact O-N 3.39Å
146	L	57.2	Low	55.9	Low	110 Å²	110	89.5 Å²	89.5	58%	0.576	49%	0.488	S	S	*	.	H	α-helix	trans	-65.5	-43.4	175.1	-171.1	70.7	0	0	0	111.8	V142 N143 L149 E150	V142-L146 WeakPolarHBondContact O-CB 2.83Å; V142-L146 PolarHBondContact O-N 2.86Å; N143-L146 PolarHBondContact O-N 2.97Å; L146-L149 WeakPolarHBondContact O-CB 3.45Å; L146-L149 PolarHBondContact O-N 2.78Å; L146-E150 WeakPolarHBondContact O-CB 3.31Å; L146-E150 PolarHBondContact O-N 3.13Å
147	L	56.3	Low	57.2	Low	110 Å²	110	88.5 Å²	88.5	58%	0.576	48%	0.483	S	S	*	.	H	α-helix	trans	-63	-42.6	176.3	-75.7	170.1	0	0	0	111.7	N143 E150 E151	N143-L147 WeakPolarHBondContact O-CB 3.24Å; N143-L147 VanDerWaalsContact O-CG 3.22Å; N143-L147 WeakPolarHBondContact O-CG 3.19Å; N143-L147 PolarHBondContact O-N 3.09Å; L147-E150 PolarHBondContact O-N 2.98Å; L147-E151 WeakPolarHBondContact O-CB 3.42Å; L147-E151 PolarHBondContact O-N 3.44Å
148	L	61.8	Low	58.2	Low	85 Å²	85	89.4 Å²	89.4	45%	0.445	48%	0.482	S	S	.	.	H	α-helix	trans	-63.1	-44.3	173.6	-75.3	169.4	0	0	0	110.8	G144 E145 E150 E151 N152	G144-L148 WeakPolarHBondContact O-CB 3.11Å; G144-L148 VanDerWaalsContact O-CG 3.31Å; G144-L148 WeakPolarHBondContact O-CG 3.41Å; G144-L148 PolarHBondContact O-N 2.97Å; E145-L148 PolarHBondContact O-N 3.3Å; L148-E150 VanDerWaalsContact C-N 3.31Å; L148-E150 PolarHBondContact O-N 3.24Å; L148-E151 PolarHBondContact O-N 3.39Å; L148-N152 VanDerWaalsContact O-CB 3.31Å; L148-N152 WeakPolarHBondContact O-CB 3.35Å; L148-N152 PolarHBondContact O-N 3.42Å; L148-N152 PolarHBondContact O-ND2 3.5Å
149	L	66.6	Low	59.5	Low	97 Å²	97	85.7 Å²	85.7	51%	0.508	46%	0.457	S	S	.	.	H	α-helix	trans	-59.1	-42	175.6	-81	158	0	0	0	111.8	E145 L146 N152 A153	E145-L149 WeakPolarHBondContact O-CB 3.31Å; E145-L149 WeakPolarHBondContact O-CD1 3.29Å; E145-L149 WeakPolarHBondContact O-CG 3.4Å; E145-L149 PolarHBondContact O-N 3.39Å; L146-L149 WeakPolarHBondContact O-CB 3.45Å; L146-L149 PolarHBondContact O-N 2.78Å; L149-N152 PolarHBondContact O-N 3.49Å; L149-A153 WeakPolarHBondContact O-CB 3.4Å; L149-A153 PolarHBondContact O-N 3.15Å
150	E	65.1	Low	60.3	Low	93 Å²	93	81.7 Å²	81.7	44%	0.435	44%	0.444	S	S	.	.	H	α-helix	trans	-66.6	-44.3	177.3	-165.9	-168.4	152.6	0	0	112	L146 L147 L148 N152 A153 K154	L146-E150 WeakPolarHBondContact O-CB 3.31Å; L146-E150 PolarHBondContact O-N 3.13Å; L147-E150 PolarHBondContact O-N 2.98Å; L148-E150 VanDerWaalsContact C-N 3.31Å; L148-E150 PolarHBondContact O-N 3.24Å; E150-N152 VanDerWaalsContact C-N 3.33Å; E150-N152 PolarHBondContact O-N 2.83Å; E150-A153 PolarHBondContact O-N 3.12Å; E150-K154 WeakPolarHBondContact O-CG 3.16Å; E150-K154 PolarHBondContact O-N 2.85Å; E150-K154 VanDerWaalsContact OE1-CE 3.24Å; E150-K154 WeakPolarHBondContact OE1-CE 3.36Å; E150-K154 IonicContact OE1-NZ 3.92Å; E150-K154 PolarHBondContact OE1-NZ 2.89Å
151	E	58.9	Low	61.1	Low	127 Å²	127	81.9 Å²	81.9	59%	0.593	44%	0.438	S	S	*	.	H	α-helix	trans	-62	-41.8	175.2	-170.2	-178.6	-179.4	0	0	111.1	L147 L148 K154 F155	L147-E151 WeakPolarHBondContact O-CB 3.42Å; L147-E151 PolarHBondContact O-N 3.44Å; L148-E151 PolarHBondContact O-N 3.39Å; E151-K154 WeakPolarHBondContact O-CB 3.47Å; E151-K154 PolarHBondContact O-N 3.36Å; E151-F155 WeakPolarHBondContact O-CB 3.25Å; E151-F155 PolarHBondContact O-N 3.32Å
152	N	60.5	Low	61.9	Low	42 Å²	42	83.3 Å²	83.3	23%	0.225	44%	0.44	C	S	.	.	H	α-helix	trans	-67.2	-36.5	175.7	-73	-56.6	0	0	0	112.3	L43 L148 L149 E150 F155 L156	L43-N152 VanDerWaalsContact CD1-ND2 3.31Å; L43-N152 WeakPolarHBondContact CD1-ND2 3.49Å; L43-N152 VanDerWaalsContact CD2-ND2 3.35Å; L43-N152 WeakPolarHBondContact CD2-ND2 3.49Å; L148-N152 VanDerWaalsContact O-CB 3.31Å; L148-N152 WeakPolarHBondContact O-CB 3.35Å; L148-N152 PolarHBondContact O-N 3.42Å; L148-N152 PolarHBondContact O-ND2 3.5Å; L149-N152 PolarHBondContact O-N 3.49Å; E150-N152 VanDerWaalsContact C-N 3.33Å; E150-N152 PolarHBondContact O-N 2.83Å; N152-F155 PolarHBondContact O-N 3.28Å; N152-L156 WeakPolarHBondContact O-CB 3.39Å; N152-L156 PolarHBondContact O-N 2.78Å
153	A	65.7	Low	62.5	Low	58 Å²	58	79.5 Å²	79.5	48%	0.479	42%	0.416	S	S	.	.	H	α-helix	trans	-64.4	-43.4	174	0	0	0	0	0	110.9	L149 E150 F155 L156 Q157	L149-A153 WeakPolarHBondContact O-CB 3.4Å; L149-A153 PolarHBondContact O-N 3.15Å; E150-A153 PolarHBondContact O-N 3.12Å; A153-F155 VanDerWaalsContact C-N 3.33Å; A153-F155 PolarHBondContact O-N 3.19Å; A153-L156 PolarHBondContact O-N 2.85Å; A153-Q157 VanDerWaalsContact O-CB 3.3Å; A153-Q157 WeakPolarHBondContact O-CB 3.44Å; A153-Q157 PolarHBondContact O-N 3.37Å
154	K	65.9	Low	62.7	Low	119 Å²	119	77.2 Å²	77.2	52%	0.517	41%	0.408	S	S	.	.	H	α-helix	trans	-60.9	-42.2	173	-72.2	171.9	-174.7	164.3	0	111.6	E150 E151 Q157 L158	E150-K154 WeakPolarHBondContact O-CG 3.16Å; E150-K154 PolarHBondContact O-N 2.85Å; E150-K154 VanDerWaalsContact OE1-CE 3.24Å; E150-K154 WeakPolarHBondContact OE1-CE 3.36Å; E150-K154 IonicContact OE1-NZ 3.92Å; E150-K154 PolarHBondContact OE1-NZ 2.89Å; E151-K154 WeakPolarHBondContact O-CB 3.47Å; E151-K154 PolarHBondContact O-N 3.36Å; K154-Q157 PolarHBondContact O-N 3.34Å; K154-L158 WeakPolarHBondContact O-CB 3.18Å; K154-L158 PolarHBondContact O-N 3.13Å
155	F	63.4	Low	63.3	Low	91 Å²	91	80.3 Å²	80.3	40%	0.399	42%	0.417	S	S	.	.	H	α-helix	trans	-65.9	-42.3	178	-170.6	-101.6	0	0	0	112.4	E151 N152 A153 Q157 L158 A159 L196	E151-F155 WeakPolarHBondContact O-CB 3.25Å; E151-F155 PolarHBondContact O-N 3.32Å; N152-F155 PolarHBondContact O-N 3.28Å; A153-F155 VanDerWaalsContact C-N 3.33Å; A153-F155 PolarHBondContact O-N 3.19Å; F155-Q157 VanDerWaalsContact C-N 3.35Å; F155-L158 PolarHBondContact O-N 3.38Å; F155-A159 WeakPolarHBondContact O-CB 3.13Å; F155-A159 PolarHBondContact O-N 2.85Å; F155-L196 HydrophobicContact CD1-CD2 4.28Å; F155-L196 HydrophobicContact CE1-CB 3.73Å; F155-L196 HydrophobicContact CE1-CD2 3.48Å; F155-L196 VanDerWaalsContact CE1-CD2 3.48Å; F155-L196 HydrophobicContact CE1-CG 4.18Å; F155-L196 WeakPolarHBondContact CE1-O 3.22Å; F155-L196 HydrophobicContact CE2-CD2 4.11Å; F155-L196 HydrophobicContact CZ-CB 4.01Å; F155-L196 HydrophobicContact CZ-CD2 3.4Å; F155-L196 HydrophobicContact CZ-CG 4.29Å; F155-L196 WeakPolarHBondContact CZ-O 3.36Å
156	L	69.6	Low	64.1	Low	61 Å²	61	78.4 Å²	78.4	32%	0.319	41%	0.41	S	S	.	.	H	α-helix	trans	-66.4	-38.1	175.4	-171.6	63.7	0	0	0	111.5	A50 L51 N152 A153 A159 D160	A50-L156 HydrophobicContact CB-CD2 4.44Å; L51-L156 HydrophobicContact CD2-CD1 3.53Å; L51-L156 HydrophobicContact CG-CD1 4.11Å; N152-L156 WeakPolarHBondContact O-CB 3.39Å; N152-L156 PolarHBondContact O-N 2.78Å; A153-L156 PolarHBondContact O-N 2.85Å; L156-A159 WeakPolarHBondContact O-CB 3.41Å; L156-A159 PolarHBondContact O-N 3.32Å; L156-D160 WeakPolarHBondContact O-CB 3.42Å; L156-D160 PolarHBondContact O-N 2.86Å
157	Q	68.3	Low	64.6	Low	132 Å²	132	73.5 Å²	73.5	62%	0.617	39%	0.385	S	S	*	.	H	α-helix	trans	-65.6	-39.3	173.9	-173.2	179.4	12	0	0	111.9	A153 K154 F155 D160 T161	A153-Q157 VanDerWaalsContact O-CB 3.3Å; A153-Q157 WeakPolarHBondContact O-CB 3.44Å; A153-Q157 PolarHBondContact O-N 3.37Å; K154-Q157 PolarHBondContact O-N 3.34Å; F155-Q157 VanDerWaalsContact C-N 3.35Å; Q157-D160 PolarHBondContact O-N 2.89Å; Q157-T161 WeakPolarHBondContact O-CB 3.32Å; Q157-T161 PolarHBondContact O-N 3.22Å; Q157-T161 PolarHBondContact O-OG1 3.04Å
158	L	66.3	Low	64.8	Low	95 Å²	95	76.9 Å²	76.9	50%	0.497	39%	0.391	S	S	.	.	H	α-helix	trans	-66.1	-41.4	175.1	-175.5	65.2	0	0	0	111.2	K154 F155 T161 N162	K154-L158 WeakPolarHBondContact O-CB 3.18Å; K154-L158 PolarHBondContact O-N 3.13Å; F155-L158 PolarHBondContact O-N 3.38Å; L158-T161 PolarHBondContact O-N 3.01Å; L158-N162 WeakPolarHBondContact O-CB 3.3Å; L158-N162 VanDerWaalsContact O-CG 3.27Å; L158-N162 PolarHBondContact O-N 2.94Å; L158-N162 PolarHBondContact O-ND2 3.45Å
159	A	65.9	Low	64.9	Low	5 Å²	5	78.4 Å²	78.4	4%	0.041	39%	0.391	C	S	.	.	H	α-helix	trans	-57.4	-50.1	172.2	0	0	0	0	0	111.4	F155 L156 T161 N162 V163 L196	F155-A159 WeakPolarHBondContact O-CB 3.13Å; F155-A159 PolarHBondContact O-N 2.85Å; L156-A159 WeakPolarHBondContact O-CB 3.41Å; L156-A159 PolarHBondContact O-N 3.32Å; A159-T161 VanDerWaalsContact C-N 3.32Å; A159-T161 PolarHBondContact O-N 3.16Å; A159-N162 PolarHBondContact O-N 3.22Å; A159-V163 VanDerWaalsContact O-CG2 3.31Å; A159-V163 WeakPolarHBondContact O-CG2 3.39Å; A159-V163 PolarHBondContact O-N 3.44Å; A159-L196 HydrophobicContact CB-CD1 3.32Å; A159-L196 HydrophobicContact CB-CD2 3.74Å; A159-L196 HydrophobicContact CB-CG 4.19Å
160	D	62.7	Low	64.9	Low	76 Å²	76	75.2 Å²	75.2	41%	0.406	38%	0.375	S	S	.	.	H	α-helix	trans	-61.9	-39.9	179.4	-167.2	47.4	0	0	0	112.1	L156 Q157 V163 S164	L156-D160 WeakPolarHBondContact O-CB 3.42Å; L156-D160 PolarHBondContact O-N 2.86Å; Q157-D160 PolarHBondContact O-N 2.89Å; D160-V163 PolarHBondContact O-N 3.4Å; D160-S164 VanDerWaalsContact O-CB 3.29Å; D160-S164 WeakPolarHBondContact O-CB 3.5Å; D160-S164 PolarHBondContact O-N 2.67Å; D160-S164 PolarHBondContact O-OG 3.34Å
161	T	63.4	Low	64.8	Low	66 Å²	66	74.9 Å²	74.9	41%	0.405	38%	0.382	S	S	.	.	H	α-helix	trans	-62.9	-46.4	174.2	-56.5	0	0	0	0	111.3	Q157 L158 A159 V163 S164 L165	Q157-T161 WeakPolarHBondContact O-CB 3.32Å; Q157-T161 PolarHBondContact O-N 3.22Å; Q157-T161 PolarHBondContact O-OG1 3.04Å; L158-T161 PolarHBondContact O-N 3.01Å; A159-T161 VanDerWaalsContact C-N 3.32Å; A159-T161 PolarHBondContact O-N 3.16Å; T161-V163 PolarHBondContact O-N 2.73Å; T161-S164 PolarHBondContact O-N 2.84Å; T161-L165 HydrophobicContact CG2-CD1 4.22Å; T161-L165 WeakPolarHBondContact O-CB 3.48Å; T161-L165 VanDerWaalsContact O-CG 3.31Å; T161-L165 WeakPolarHBondContact O-CG 3.41Å; T161-L165 PolarHBondContact O-N 3.44Å
162	N	65.6	Low	64.8	Low	76 Å²	76	72.8 Å²	72.8	41%	0.406	38%	0.381	S	S	.	.	H	α-helix	trans	-65.5	-39	179.7	-74.7	-22.5	0	0	0	112.1	L158 A159 L165 L166	L158-N162 WeakPolarHBondContact O-CB 3.3Å; L158-N162 VanDerWaalsContact O-CG 3.27Å; L158-N162 PolarHBondContact O-N 2.94Å; L158-N162 PolarHBondContact O-ND2 3.45Å; A159-N162 PolarHBondContact O-N 3.22Å; N162-L165 PolarHBondContact O-N 2.96Å; N162-L166 WeakPolarHBondContact O-CB 3.43Å; N162-L166 PolarHBondContact O-N 2.81Å
163	V	66.9	Low	64.9	Low	10 Å²	10	76.4 Å²	76.4	6%	0.061	39%	0.392	C	S	.	.	H	α-helix	trans	-69.1	-40.5	175	-174.5	0	0	0	0	110.9	F58 A159 D160 T161 L165 L166 G167 F189 L192	F58-V163 HydrophobicContact CD1-CG1 3.59Å; F58-V163 HydrophobicContact CE1-CB 3.67Å; F58-V163 HydrophobicContact CE1-CG1 3.06Å; F58-V163 HydrophobicContact CE1-CG2 4.43Å; F58-V163 HydrophobicContact CE2-CG1 4.32Å; F58-V163 HydrophobicContact CG-CG1 4.46Å; F58-V163 HydrophobicContact CZ-CB 3.75Å; F58-V163 HydrophobicContact CZ-CG1 3.5Å; F58-V163 VanDerWaalsContact CZ-CG1 3.5Å; F58-V163 HydrophobicContact CZ-CG2 4.06Å; A159-V163 VanDerWaalsContact O-CG2 3.31Å; A159-V163 WeakPolarHBondContact O-CG2 3.39Å; A159-V163 PolarHBondContact O-N 3.44Å; D160-V163 PolarHBondContact O-N 3.4Å; T161-V163 PolarHBondContact O-N 2.73Å; V163-L165 VanDerWaalsContact C-N 3.31Å; V163-L165 PolarHBondContact O-N 2.94Å; V163-L166 WeakPolarHBondContact O-CB 3.38Å; V163-L166 PolarHBondContact O-N 3.33Å; V163-G167 PolarHBondContact O-N 3.47Å; V163-F189 HydrophobicContact CG1-CZ 4.48Å; V163-L192 HydrophobicContact CG2-CD1 3.58Å; V163-L192 HydrophobicContact CG2-CD2 3.23Å; V163-L192 HydrophobicContact CG2-CG 4.03Å
164	S	61	Low	64.3	Low	47 Å²	47	79.9 Å²	79.9	33%	0.329	41%	0.407	S	S	.	.	H	α-helix	trans	-60.7	-41	174.6	-66.6	0	0	0	0	111.9	D160 T161 G167 R168	D160-S164 VanDerWaalsContact O-CB 3.29Å; D160-S164 WeakPolarHBondContact O-CB 3.5Å; D160-S164 PolarHBondContact O-N 2.67Å; D160-S164 PolarHBondContact O-OG 3.34Å; T161-S164 PolarHBondContact O-N 2.84Å; S164-G167 PolarHBondContact O-N 2.86Å; S164-R168 WeakPolarHBondContact O-CG 3.41Å; S164-R168 PolarHBondContact O-N 3.26Å
165	L	65.8	Low	63.9	Low	94 Å²	94	81.7 Å²	81.7	49%	0.492	42%	0.418	S	S	.	.	H	α-helix	trans	-64.1	-42	173.7	-74.8	172	0	0	0	111.7	T161 N162 V163 R168 Y169	T161-L165 HydrophobicContact CG2-CD1 4.22Å; T161-L165 WeakPolarHBondContact O-CB 3.48Å; T161-L165 VanDerWaalsContact O-CG 3.31Å; T161-L165 WeakPolarHBondContact O-CG 3.41Å; T161-L165 PolarHBondContact O-N 3.44Å; N162-L165 PolarHBondContact O-N 2.96Å; V163-L165 VanDerWaalsContact C-N 3.31Å; V163-L165 PolarHBondContact O-N 2.94Å; L165-R168 PolarHBondContact O-N 3.48Å; L165-Y169 WeakPolarHBondContact O-CB 3.44Å; L165-Y169 PolarHBondContact O-N 2.99Å
166	L	69.5	Low	63.5	Low	53 Å²	53	80.9 Å²	80.9	28%	0.277	42%	0.417	S	S	.	.	H	α-helix	trans	-62.7	-44.1	174.6	-178.8	62.1	0	0	0	111.5	N162 V163 R168 Y169 L170 L188	N162-L166 WeakPolarHBondContact O-CB 3.43Å; N162-L166 PolarHBondContact O-N 2.81Å; V163-L166 WeakPolarHBondContact O-CB 3.38Å; V163-L166 PolarHBondContact O-N 3.33Å; L166-R168 PolarHBondContact O-N 2.86Å; L166-Y169 WeakPolarHBondContact O-CB 3.46Å; L166-Y169 PolarHBondContact O-N 2.77Å; L166-L170 HydrophobicContact CD1-CD1 4.22Å; L166-L170 HydrophobicContact CD1-CG 4.29Å; L166-L170 HydrophobicContact CG-CD1 4.05Å; L166-L170 WeakPolarHBondContact O-CB 3.35Å; L166-L170 VanDerWaalsContact O-CG 3.26Å; L166-L170 WeakPolarHBondContact O-CG 3.31Å; L166-L170 PolarHBondContact O-N 3.43Å; L166-L188 HydrophobicContact CD2-CD1 4.26Å; L166-L188 HydrophobicContact CD2-CD2 4.29Å
167	G	67.2	Low	62.8	Low	6 Å²	6	84 Å²	84	6%	0.062	44%	0.439	C	S	.	.	H	α-helix	trans	-58	-48.6	174.8	0	0	0	0	0	111.4	V163 S164 Y169 L170 S171	V163-G167 PolarHBondContact O-N 3.47Å; S164-G167 PolarHBondContact O-N 2.86Å; G167-Y169 PolarHBondContact O-N 3.32Å; G167-L170 PolarHBondContact O-N 2.92Å; G167-S171 WeakPolarHBondContact O-CB 3.34Å; G167-S171 PolarHBondContact O-N 2.93Å; G167-S171 PolarHBondContact O-OG 2.88Å
168	R	60.1	Low	62.5	Low	182 Å²	182	85 Å²	85	69%	0.687	44%	0.443	S	S	*	.	H	α-helix	trans	-61.6	-41.3	174.8	-73.9	-179.3	-177.3	175	2.5	112.7	S164 L165 L166 S171 S172	S164-R168 WeakPolarHBondContact O-CG 3.41Å; S164-R168 PolarHBondContact O-N 3.26Å; L165-R168 PolarHBondContact O-N 3.48Å; L166-R168 PolarHBondContact O-N 2.86Å; R168-S171 PolarHBondContact O-N 3.15Å; R168-S172 VanDerWaalsContact O-CB 3.23Å; R168-S172 WeakPolarHBondContact O-CB 3.41Å; R168-S172 PolarHBondContact O-N 3.25Å; R168-S172 PolarHBondContact O-OG 3.37Å
169	Y	64.2	Low	62.3	Low	117 Å²	117	84.7 Å²	84.7	46%	0.459	45%	0.448	S	S	.	.	H	α-helix	trans	-60.5	-47.8	177.7	-180	-104.6	0	0	0	111.1	L165 L166 G167 S172 R173	L165-Y169 WeakPolarHBondContact O-CB 3.44Å; L165-Y169 PolarHBondContact O-N 2.99Å; L166-Y169 WeakPolarHBondContact O-CB 3.46Å; L166-Y169 PolarHBondContact O-N 2.77Å; G167-Y169 PolarHBondContact O-N 3.32Å; Y169-S172 WeakPolarHBondContact CA-OG 3.33Å; Y169-S172 PolarHBondContact O-N 3.2Å; Y169-S172 PolarHBondContact O-OG 3.41Å; Y169-R173 HydrophobicContact CE1-CG 4.5Å; Y169-R173 PolarHBondContact O-N 3.43Å; Y169-R173 VanDerWaalsContact OH-CZ 3.31Å; Y169-R173 PolarHBondContact OH-NE 2.85Å; Y169-R173 PolarHBondContact OH-NH2 3.32Å
170	L	66.4	Low	62.2	Low	30 Å²	30	86.7 Å²	86.7	16%	0.157	46%	0.456	C	S	.	.	H	α-helix	trans	-64.3	-41.6	177	-66.4	170.3	0	0	0	111.6	F62 L166 G167 S172 R173 L176 M180 L188	F62-L170 HydrophobicContact CE1-CD1 3.96Å; F62-L170 HydrophobicContact CZ-CD1 4.14Å; L166-L170 HydrophobicContact CD1-CD1 4.22Å; L166-L170 HydrophobicContact CD1-CG 4.29Å; L166-L170 HydrophobicContact CG-CD1 4.05Å; L166-L170 WeakPolarHBondContact O-CB 3.35Å; L166-L170 VanDerWaalsContact O-CG 3.26Å; L166-L170 WeakPolarHBondContact O-CG 3.31Å; L166-L170 PolarHBondContact O-N 3.43Å; G167-L170 PolarHBondContact O-N 2.92Å; L170-S172 PolarHBondContact O-N 3.15Å; L170-R173 PolarHBondContact O-N 2.97Å; L170-L176 HydrophobicContact CB-CD1 4.3Å; L170-L176 HydrophobicContact CD2-CD1 3.83Å; L170-L176 WeakPolarHBondContact O-CD1 3.24Å; L170-M180 HydrophobicContact CD1-SD 3.72Å; L170-M180 HydrophobicContact CD2-SD 4.08Å; L170-M180 HydrophobicContact CG-SD 4.48Å; L170-L188 HydrophobicContact CD1-CD1 4.29Å
171	S	63.2	Low	62.4	Low	86 Å²	86	88 Å²	88	60%	0.601	46%	0.46	S	S	*	.	H	α-helix	trans	-65.6	-34.8	174.1	-61.1	0	0	0	0	113.5	G167 R168 R173	G167-S171 WeakPolarHBondContact O-CB 3.34Å; G167-S171 PolarHBondContact O-N 2.93Å; G167-S171 PolarHBondContact O-OG 2.88Å; R168-S171 PolarHBondContact O-N 3.15Å; S171-R173 VanDerWaalsContact C-N 3.33Å
172	S	60	Low	62.3	Low	82 Å²	82	89.2 Å²	89.2	57%	0.573	47%	0.469	S	S	*	.	H	α-helix	trans	-76	-22.5	179.7	72.2	0	0	0	0	113.1	R168 Y169 L170 T174	R168-S172 VanDerWaalsContact O-CB 3.23Å; R168-S172 WeakPolarHBondContact O-CB 3.41Å; R168-S172 PolarHBondContact O-N 3.25Å; R168-S172 PolarHBondContact O-OG 3.37Å; Y169-S172 WeakPolarHBondContact CA-OG 3.33Å; Y169-S172 PolarHBondContact O-N 3.2Å; Y169-S172 PolarHBondContact O-OG 3.41Å; L170-S172 PolarHBondContact O-N 3.15Å; S172-T174 VanDerWaalsContact C-N 3.32Å; S172-T174 PolarHBondContact O-N 3.38Å
173	R	61	Low	62.2	Low	119 Å²	119	93.5 Å²	93.5	45%	0.449	48%	0.48	S	S	.	.			trans	-74.9	89.7	170.6	-81.4	-172.9	168.1	-122.7	4.7	108.4	Y169 L170 S171 E175 L176	Y169-R173 HydrophobicContact CE1-CG 4.5Å; Y169-R173 PolarHBondContact O-N 3.43Å; Y169-R173 VanDerWaalsContact OH-CZ 3.31Å; Y169-R173 PolarHBondContact OH-NE 2.85Å; Y169-R173 PolarHBondContact OH-NH2 3.32Å; L170-R173 PolarHBondContact O-N 2.97Å; S171-R173 VanDerWaalsContact C-N 3.33Å; R173-E175 PolarHBondContact O-N 3Å; R173-L176 HydrophobicContact CB-CD1 3.76Å; R173-L176 PolarHBondContact O-N 2.87Å; R173-L176 VanDerWaalsContact O-N 3.1Å
174	T	53.3	Low	62.2	Low	130 Å²	130	94.5 Å²	94.5	80%	0.798	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-16	172.1	50.9	0	0	0	0	113.6	S172	S172-T174 VanDerWaalsContact C-N 3.32Å; S172-T174 PolarHBondContact O-N 3.38Å
175	E	57.7	Low	62.5	Low	157 Å²	157	93.4 Å²	93.4	73%	0.734	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-9.5	178.6	-64.2	176.3	-174.7	0	0	114.2	R173 T177	R173-E175 PolarHBondContact O-N 3Å; E175-T177 PolarHBondContact O-N 2.88Å; E175-T177 PolarHBondContact O-OG1 2.98Å
176	L	55.4	Low	62.5	Low	74 Å²	74	93.2 Å²	93.2	39%	0.387	48%	0.478	S	S	.	.			trans	-71.5	72.6	165.3	-87.5	134.4	0	0	0	108.5	L170 R173 M180	L170-L176 HydrophobicContact CB-CD1 4.3Å; L170-L176 HydrophobicContact CD2-CD1 3.83Å; L170-L176 WeakPolarHBondContact O-CD1 3.24Å; R173-L176 HydrophobicContact CB-CD1 3.76Å; R173-L176 PolarHBondContact O-N 2.87Å; R173-L176 VanDerWaalsContact O-N 3.1Å; L176-M180 HydrophobicContact CD2-CG 3.86Å
177	T	55.2	Low	62.5	Low	128 Å²	128	93.4 Å²	93.4	79%	0.785	48%	0.484	S	S	*	.			trans	-69.4	-27.4	175.3	34.6	0	0	0	0	111.2	E175	E175-T177 PolarHBondContact O-N 2.88Å; E175-T177 PolarHBondContact O-OG1 2.98Å
178	E	60.9	Low	62.6	Low	151 Å²	151	95.3 Å²	95.3	71%	0.706	49%	0.492	S	S	*	.	S	Bend	trans	-100.2	134.5	176.7	-63.8	-175.4	170.3	0	0	110.1	M180	E178-M180 PolarHBondContact O-N 2.7Å
179	P	62.3	Low	63	Low	90 Å²	90	88.5 Å²	88.5	58%	0.584	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-55.4	135.7	170.2	26	-33	0	0	0	108.2	E181	P179-E181 PolarHBondContact O-N 2.99Å
180	M	64.3	Low	63.1	Low	46 Å²	46	86.4 Å²	86.4	23%	0.227	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-57.6	119.5	173.1	-98.1	-175.3	64	0	0	109	F62 L170 L176 E178 C184 V185 L188	F62-M180 HydrophobicContact CE1-SD 4.45Å; L170-M180 HydrophobicContact CD1-SD 3.72Å; L170-M180 HydrophobicContact CD2-SD 4.08Å; L170-M180 HydrophobicContact CG-SD 4.48Å; L176-M180 HydrophobicContact CD2-CG 3.86Å; E178-M180 PolarHBondContact O-N 2.7Å; M180-C184 HydrophobicContact CE-CB 3.43Å; M180-C184 VanDerWaalsContact CE-CB 3.43Å; M180-C184 HydrophobicContact CG-CB 4.48Å; M180-V185 HydrophobicContact CB-CG2 4.11Å; M180-V185 HydrophobicContact CE-CB 4.49Å; M180-V185 HydrophobicContact CE-CG2 3.73Å; M180-L188 HydrophobicContact CE-CD1 3.32Å; M180-L188 HydrophobicContact CE-CG 4.35Å; M180-L188 HydrophobicContact SD-CD1 4.22Å
181	E	67.2	Low	63	Low	104 Å²	104	90.3 Å²	90.3	49%	0.486	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-53.7	142.8	174.5	-72.3	-66.8	143.2	0	0	110.5	P179 W183 C184 V185	P179-E181 PolarHBondContact O-N 2.99Å; E181-W183 HydrophobicContact CB-CD2 4.43Å; E181-W183 HydrophobicContact CB-CG 4.19Å; E181-W183 HydrophobicContact CB-CZ2 4.49Å; E181-W183 PolarHBondContact O-N 3.1Å; E181-C184 VanDerWaalsContact O-CB 3.29Å; E181-C184 WeakPolarHBondContact O-CB 3.39Å; E181-C184 PolarHBondContact O-N 2.82Å; E181-V185 PolarHBondContact O-N 2.7Å
182	P	61.8	Low	63.2	Low	91 Å²	91	88.2 Å²	88.2	59%	0.591	47%	0.471	S	S	*	.	H	α-helix	trans	-52.9	-34.4	-176.4	-27.9	34.3	0	0	0	113.7	C184 V185 D186	P182-C184 VanDerWaalsContact C-N 3.34Å; P182-C184 PolarHBondContact O-N 2.86Å; P182-V185 WeakPolarHBondContact O-CB 3.49Å; P182-V185 PolarHBondContact O-N 3.31Å; P182-D186 PolarHBondContact O-N 3.46Å
183	W	63.6	Low	63.4	Low	166 Å²	166	91 Å²	91	63%	0.629	47%	0.469	S	S	*	.	H	α-helix	trans	-67.4	-30	178.1	65.4	-96.8	0	0	0	113.4	E181 S187	E181-W183 HydrophobicContact CB-CD2 4.43Å; E181-W183 HydrophobicContact CB-CG 4.19Å; E181-W183 HydrophobicContact CB-CZ2 4.49Å; E181-W183 PolarHBondContact O-N 3.1Å; W183-S187 VanDerWaalsContact O-CB 3.28Å; W183-S187 WeakPolarHBondContact O-CB 3.26Å; W183-S187 PolarHBondContact O-N 2.67Å; W183-S187 PolarHBondContact O-OG 3.43Å
184	C	66.2	Low	63.5	Low	32 Å²	32	89.1 Å²	89.1	22%	0.216	47%	0.467	C	S	.	.	H	α-helix	trans	-67.3	-43.6	173.7	-68.5	0	0	0	0	110.2	M180 E181 P182 S187 L188	M180-C184 HydrophobicContact CE-CB 3.43Å; M180-C184 VanDerWaalsContact CE-CB 3.43Å; M180-C184 HydrophobicContact CG-CB 4.48Å; E181-C184 VanDerWaalsContact O-CB 3.29Å; E181-C184 WeakPolarHBondContact O-CB 3.39Å; E181-C184 PolarHBondContact O-N 2.82Å; P182-C184 VanDerWaalsContact C-N 3.34Å; P182-C184 PolarHBondContact O-N 2.86Å; C184-S187 PolarHBondContact O-N 3.34Å; C184-L188 WeakPolarHBondContact O-CG 3.31Å; C184-L188 PolarHBondContact O-N 2.88Å
185	V	67.4	Low	63.7	Low	24 Å²	24	88.5 Å²	88.5	15%	0.145	46%	0.463	C	S	.	.	H	α-helix	trans	-62.9	-48.1	176.5	179.8	0	0	0	0	109.7	F62 M180 E181 P182 S187 L188 F189	F62-V185 HydrophobicContact CD2-CG1 4.09Å; F62-V185 HydrophobicContact CE2-CG1 4.03Å; M180-V185 HydrophobicContact CB-CG2 4.11Å; M180-V185 HydrophobicContact CE-CB 4.49Å; M180-V185 HydrophobicContact CE-CG2 3.73Å; E181-V185 PolarHBondContact O-N 2.7Å; P182-V185 WeakPolarHBondContact O-CB 3.49Å; P182-V185 PolarHBondContact O-N 3.31Å; V185-S187 VanDerWaalsContact C-N 3.3Å; V185-S187 PolarHBondContact O-N 2.84Å; V185-L188 PolarHBondContact O-N 2.8Å; V185-F189 HydrophobicContact CG1-CD2 3.64Å; V185-F189 HydrophobicContact CG1-CE2 3.62Å; V185-F189 WeakPolarHBondContact O-CB 3.34Å; V185-F189 VanDerWaalsContact O-CD2 3.24Å; V185-F189 WeakPolarHBondContact O-CD2 3.45Å; V185-F189 PolarHBondContact O-N 3.42Å
186	D	65.9	Low	63.7	Low	89 Å²	89	82.3 Å²	82.3	48%	0.476	44%	0.435	S	S	.	.	H	α-helix	trans	-60.5	-38.1	175.9	-80.9	-33.9	0	0	0	112.7	K55 P182 F189 S190	K55-D186 IonicContact NZ-OD1 2.7Å; P182-D186 PolarHBondContact O-N 3.46Å; D186-F189 PolarHBondContact O-N 2.81Å; D186-S190 VanDerWaalsContact O-CB 3.23Å; D186-S190 WeakPolarHBondContact O-CB 3.4Å; D186-S190 PolarHBondContact O-N 2.88Å
187	S	69.1	Low	64.1	Low	58 Å²	58	80.6 Å²	80.6	41%	0.406	43%	0.426	S	S	.	.	H	α-helix	trans	-67.3	-43.8	176.6	-63.6	0	0	0	0	112.1	W183 C184 V185 S190 M191	W183-S187 VanDerWaalsContact O-CB 3.28Å; W183-S187 WeakPolarHBondContact O-CB 3.26Å; W183-S187 PolarHBondContact O-N 2.67Å; W183-S187 PolarHBondContact O-OG 3.43Å; C184-S187 PolarHBondContact O-N 3.34Å; V185-S187 VanDerWaalsContact C-N 3.3Å; V185-S187 PolarHBondContact O-N 2.84Å; S187-S190 PolarHBondContact O-N 3.01Å; S187-M191 WeakPolarHBondContact O-CG 3.35Å; S187-M191 PolarHBondContact O-N 3.05Å
188	L	70	Confident	64.2	Low	46 Å²	46	76.5 Å²	76.5	24%	0.241	41%	0.409	C	S	.	.	H	α-helix	trans	-61.1	-45.9	173.2	-74.8	173.6	0	0	0	111.1	L166 L170 M180 C184 V185 S190 M191 L192	L166-L188 HydrophobicContact CD2-CD1 4.26Å; L166-L188 HydrophobicContact CD2-CD2 4.29Å; L170-L188 HydrophobicContact CD1-CD1 4.29Å; M180-L188 HydrophobicContact CE-CD1 3.32Å; M180-L188 HydrophobicContact CE-CG 4.35Å; M180-L188 HydrophobicContact SD-CD1 4.22Å; C184-L188 WeakPolarHBondContact O-CG 3.31Å; C184-L188 PolarHBondContact O-N 2.88Å; V185-L188 PolarHBondContact O-N 2.8Å; L188-S190 VanDerWaalsContact C-N 3.31Å; L188-S190 PolarHBondContact O-N 3.41Å; L188-M191 HydrophobicContact CD2-CE 3.79Å; L188-M191 PolarHBondContact O-N 2.96Å; L188-L192 VanDerWaalsContact O-CB 3.29Å; L188-L192 WeakPolarHBondContact O-CB 3.46Å; L188-L192 PolarHBondContact O-N 3.42Å
189	F	68.3	Low	63.9	Low	38 Å²	38	74.2 Å²	74.2	17%	0.167	40%	0.402	C	S	.	.	H	α-helix	trans	-61.7	-40.2	175	-90	-67.3	0	0	0	112.3	F58 F62 V163 V185 D186 L192 R193	F58-F189 HydrophobicContact CB-CE1 4.26Å; F58-F189 HydrophobicContact CB-CE2 3.93Å; F58-F189 HydrophobicContact CB-CZ 3.36Å; F58-F189 AromaticContact CD1-CZ 3.95Å; F58-F189 HydrophobicContact CD1-CZ 3.95Å; F58-F189 AromaticContact CD2-CE1 3.28Å; F58-F189 HydrophobicContact CD2-CE1 3.28Å; F58-F189 HydrophobicContact CD2-CE2 4.47Å; F58-F189 AromaticContact CD2-CZ 3.27Å; F58-F189 HydrophobicContact CD2-CZ 3.27Å; F58-F189 AromaticContact CE2-CE1 3.63Å; F58-F189 HydrophobicContact CE2-CE1 3.63Å; F58-F189 AromaticContact CE2-CZ 3.99Å; F58-F189 HydrophobicContact CE2-CZ 3.99Å; F58-F189 AromaticContact CG-CE1 3.81Å; F58-F189 HydrophobicContact CG-CE1 3.81Å; F58-F189 HydrophobicContact CG-CE2 4.3Å; F58-F189 AromaticContact CG-CZ 3.26Å; F58-F189 HydrophobicContact CG-CZ 3.26Å; F58-F189 HydrophobicContact CZ-CE1 4.44Å; F62-F189 HydrophobicContact CE2-CE2 4.31Å; V163-F189 HydrophobicContact CG1-CZ 4.48Å; V185-F189 HydrophobicContact CG1-CD2 3.64Å; V185-F189 HydrophobicContact CG1-CE2 3.62Å; V185-F189 WeakPolarHBondContact O-CB 3.34Å; V185-F189 VanDerWaalsContact O-CD2 3.24Å; V185-F189 WeakPolarHBondContact O-CD2 3.45Å; V185-F189 PolarHBondContact O-N 3.42Å; D186-F189 PolarHBondContact O-N 2.81Å; F189-L192 PolarHBondContact O-N 2.81Å; F189-R193 WeakPolarHBondContact O-CB 3.48Å; F189-R193 PolarHBondContact O-N 3.44Å
190	S	65.8	Low	63.2	Low	74 Å²	74	79.2 Å²	79.2	52%	0.517	41%	0.409	S	S	.	.	H	α-helix	trans	-63.7	-47.7	177.4	-170.6	0	0	0	0	111.1	D186 S187 L188 L192 R193 L194	D186-S190 VanDerWaalsContact O-CB 3.23Å; D186-S190 WeakPolarHBondContact O-CB 3.4Å; D186-S190 PolarHBondContact O-N 2.88Å; S187-S190 PolarHBondContact O-N 3.01Å; L188-S190 VanDerWaalsContact C-N 3.31Å; L188-S190 PolarHBondContact O-N 3.41Å; S190-L192 PolarHBondContact O-N 3.49Å; S190-R193 WeakPolarHBondContact O-CB 3.38Å; S190-R193 PolarHBondContact O-N 3.3Å; S190-L194 WeakPolarHBondContact O-CB 3.22Å; S190-L194 PolarHBondContact O-N 2.82Å
191	M	65.5	Low	62.3	Low	111 Å²	111	84.4 Å²	84.4	55%	0.547	43%	0.433	S	S	.	.	H	α-helix	trans	-60.4	-46	174.9	-75.5	-167.8	-64.4	0	0	111.6	S187 L188 R193 L194 T195	S187-M191 WeakPolarHBondContact O-CG 3.35Å; S187-M191 PolarHBondContact O-N 3.05Å; L188-M191 HydrophobicContact CD2-CE 3.79Å; L188-M191 PolarHBondContact O-N 2.96Å; M191-R193 VanDerWaalsContact C-N 3.3Å; M191-R193 PolarHBondContact O-N 3.32Å; M191-L194 WeakPolarHBondContact O-CB 3.38Å; M191-L194 PolarHBondContact O-N 3.27Å; M191-T195 WeakPolarHBondContact O-CB 3.31Å; M191-T195 PolarHBondContact O-N 3.3Å; M191-T195 PolarHBondContact O-OG1 2.91Å
192	L	66.7	Low	60.9	Low	42 Å²	42	84.8 Å²	84.8	22%	0.22	44%	0.442	C	S	.	.	H	α-helix	trans	-62.7	-41.6	178.7	-158.6	116.5	0	0	0	110.8	V163 L188 F189 S190 L194 L196	V163-L192 HydrophobicContact CG2-CD1 3.58Å; V163-L192 HydrophobicContact CG2-CD2 3.23Å; V163-L192 HydrophobicContact CG2-CG 4.03Å; L188-L192 VanDerWaalsContact O-CB 3.29Å; L188-L192 WeakPolarHBondContact O-CB 3.46Å; L188-L192 PolarHBondContact O-N 3.42Å; F189-L192 PolarHBondContact O-N 2.81Å; S190-L192 PolarHBondContact O-N 3.49Å; L192-L194 PolarHBondContact O-N 3.12Å; L192-L196 HydrophobicContact CD2-CD1 3.48Å; L192-L196 VanDerWaalsContact CD2-CD1 3.48Å; L192-L196 HydrophobicContact CG-CD1 3.95Å; L192-L196 WeakPolarHBondContact O-CB 3.18Å; L192-L196 WeakPolarHBondContact O-CD1 3.41Å; L192-L196 WeakPolarHBondContact O-CG 3.33Å; L192-L196 PolarHBondContact O-N 3.39Å
193	R	64.3	Low	59.9	Low	141 Å²	141	88.8 Å²	88.8	53%	0.532	46%	0.458	S	S	.	.	H	α-helix	trans	-61.2	-42.9	173.8	-171.3	-176.9	-177	165.6	2	111.6	F189 S190 M191 L197	F189-R193 WeakPolarHBondContact O-CB 3.48Å; F189-R193 PolarHBondContact O-N 3.44Å; S190-R193 WeakPolarHBondContact O-CB 3.38Å; S190-R193 PolarHBondContact O-N 3.3Å; M191-R193 VanDerWaalsContact C-N 3.3Å; M191-R193 PolarHBondContact O-N 3.32Å; R193-L197 HydrophobicContact CG-CD1 3.52Å; R193-L197 VanDerWaalsContact O-CB 3.24Å; R193-L197 WeakPolarHBondContact O-CB 3.44Å; R193-L197 PolarHBondContact O-N 3.37Å
194	L	63.7	Low	58.8	Low	79 Å²	79	89.5 Å²	89.5	41%	0.414	49%	0.489	S	S	.	.	H	α-helix	trans	-66.3	-48.4	179.4	-160.6	77.4	0	0	0	111.3	S190 M191 L192 L196 G198 D199	S190-L194 WeakPolarHBondContact O-CB 3.22Å; S190-L194 PolarHBondContact O-N 2.82Å; M191-L194 WeakPolarHBondContact O-CB 3.38Å; M191-L194 PolarHBondContact O-N 3.27Å; L192-L194 PolarHBondContact O-N 3.12Å; L194-L196 VanDerWaalsContact C-N 3.29Å; L194-L196 PolarHBondContact O-N 3.41Å; L194-G198 CarbonylContact O-C 3.3Å; L194-G198 VanDerWaalsContact O-C 3.3Å; L194-G198 WeakPolarHBondContact O-CA 3.31Å; L194-G198 PolarHBondContact O-N 3.46Å; L194-D199 HydrophobicContact CD1-CB 4.09Å; L194-D199 WeakPolarHBondContact CD1-OD1 3.23Å; L194-D199 HydrophobicContact CD2-CB 4.38Å; L194-D199 HydrophobicContact CG-CB 4.11Å
195	T	56.7	Low	58.4	Low	117 Å²	117	92.4 Å²	92.4	72%	0.718	50%	0.502	S	S	*	.	H	α-helix	trans	-62.3	-38.7	177.9	-57.8	0	0	0	0	111.2	M191	M191-T195 WeakPolarHBondContact O-CB 3.31Å; M191-T195 PolarHBondContact O-N 3.3Å; M191-T195 PolarHBondContact O-OG1 2.91Å
196	L	56.8	Low	57.9	Low	28 Å²	28	95.9 Å²	95.9	15%	0.147	52%	0.521	C	S	.	.	H	α-helix	trans	-79.7	-41.8	-178.7	-70	171.3	0	0	0	113.5	F155 A159 L192 L194	F155-L196 HydrophobicContact CD1-CD2 4.28Å; F155-L196 HydrophobicContact CE1-CB 3.73Å; F155-L196 HydrophobicContact CE1-CD2 3.48Å; F155-L196 VanDerWaalsContact CE1-CD2 3.48Å; F155-L196 HydrophobicContact CE1-CG 4.18Å; F155-L196 WeakPolarHBondContact CE1-O 3.22Å; F155-L196 HydrophobicContact CE2-CD2 4.11Å; F155-L196 HydrophobicContact CZ-CB 4.01Å; F155-L196 HydrophobicContact CZ-CD2 3.4Å; F155-L196 HydrophobicContact CZ-CG 4.29Å; F155-L196 WeakPolarHBondContact CZ-O 3.36Å; A159-L196 HydrophobicContact CB-CD1 3.32Å; A159-L196 HydrophobicContact CB-CD2 3.74Å; A159-L196 HydrophobicContact CB-CG 4.19Å; L192-L196 HydrophobicContact CD2-CD1 3.48Å; L192-L196 VanDerWaalsContact CD2-CD1 3.48Å; L192-L196 HydrophobicContact CG-CD1 3.95Å; L192-L196 WeakPolarHBondContact O-CB 3.18Å; L192-L196 WeakPolarHBondContact O-CD1 3.41Å; L192-L196 WeakPolarHBondContact O-CG 3.33Å; L192-L196 PolarHBondContact O-N 3.39Å; L194-L196 VanDerWaalsContact C-N 3.29Å; L194-L196 PolarHBondContact O-N 3.41Å
197	L	63.6	Low	57.5	Low	38 Å²	38	96.3 Å²	96.3	20%	0.199	52%	0.524	C	S	.	.	H	α-helix	trans	-96.1	-3.7	-174.7	-68	161.2	0	0	0	113.6	L51 R193	L51-L197 HydrophobicContact CD1-CD1 3.94Å; L51-L197 HydrophobicContact CD1-CD2 4.43Å; L51-L197 HydrophobicContact CD1-CG 4.34Å; R193-L197 HydrophobicContact CG-CD1 3.52Å; R193-L197 VanDerWaalsContact O-CB 3.24Å; R193-L197 WeakPolarHBondContact O-CB 3.44Å; R193-L197 PolarHBondContact O-N 3.37Å
198	G	59	Low	56.8	Low	41 Å²	41	98.6 Å²	98.6	42%	0.423	53%	0.531	S	S	.	.			trans	76.5	143.6	-172.8	0	0	0	0	0	112.2	L194 R200	L194-G198 CarbonylContact O-C 3.3Å; L194-G198 VanDerWaalsContact O-C 3.3Å; L194-G198 WeakPolarHBondContact O-CA 3.31Å; L194-G198 PolarHBondContact O-N 3.46Å; G198-R200 PolarHBondContact O-N 3.3Å
199	D	54.6	Low	56	Low	103 Å²	103	101.9 Å²	101.9	55%	0.551	55%	0.549	S	S	*	.			trans	-64.4	126	173.6	-158.4	-5.5	0	0	0	109.8	L194 Q201	L194-D199 HydrophobicContact CD1-CB 4.09Å; L194-D199 WeakPolarHBondContact CD1-OD1 3.23Å; L194-D199 HydrophobicContact CD2-CB 4.38Å; L194-D199 HydrophobicContact CG-CB 4.11Å; D199-Q201 VanDerWaalsContact C-N 3.31Å; D199-Q201 PolarHBondContact O-N 3.11Å
200	R	46	Very low	55.1	Low	196 Å²	196	106.1 Å²	106.1	74%	0.74	57%	0.574	S	S	*	*			trans	-85.2	78	171.6	-84.6	-167.8	151.7	-153.5	-7.1	108	G198	G198-R200 PolarHBondContact O-N 3.3Å
201	Q	45.4	Very low	54.4	Low	155 Å²	155	108.4 Å²	108.4	72%	0.724	58%	0.578	S	S	*	*			trans	-100.1	90.6	152.1	-69.9	-159.2	25.5	0	0	108.8	D199 D203	D199-Q201 VanDerWaalsContact C-N 3.31Å; D199-Q201 PolarHBondContact O-N 3.11Å; Q201-D203 PolarHBondContact O-N 2.89Å
202	T	38.8	Very low	53.5	Low	112 Å²	112	108.2 Å²	108.2	69%	0.687	58%	0.581	S	S	*	*			trans	21.4	94.9	136.8	54.1	0	0	0	0	117.1	S204	T202-S204 PolarHBondContact O-N 3.31Å
203	D	40.9	Very low	52.4	Low	174 Å²	174	113.8 Å²	113.8	93%	0.93	61%	0.611	S	S	*	*			trans	-80.4	98.5	138.3	-80.9	-27.1	0	0	0	106.2	Q201	Q201-D203 PolarHBondContact O-N 2.89Å
204	S	39.2	Very low	51.3	Low	181 Å²	181	111.3 Å²	111.3	100%	1.266	62%	0.618	S	S	*	*			trans	-67.7	0	153.4	-72	0	0	0	0	109.7	T202	T202-S204 PolarHBondContact O-N 3.31Å

Retrieved 204 of 204 residues in 162.9 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).