A0A077ZFG7_TRITR Loading...

Peroxide-inducible transcript 1 protein

AlphaFold DB , UniProt , Accession A0A077ZFG7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 204 aa.

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(Predicted Aligned Error values between residue pairs)

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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	46	Very low	37.4	Very low	231 Å²	231	142.2 Å²	142.2	100%	1.138	78%	0.775	S	S	*	*				0	101.9	0	-61	169.8	-171.4	0	0	105.2
2	T	36.8	Very low	36.8	Very low	112 Å²	112	140.2 Å²	140.2	69%	0.687	78%	0.779	S	S	*	*				55.1	105.7	92	42.6	0	0	0	0	111.2
3	E	33.4	Very low	36.5	Very low	159 Å²	159	136 Å²	136	74%	0.743	79%	0.787	S	S	*	*				76.8	141.8	82.2	-76.6	-178.4	166	0	0	112.3
4	M	38.6	Very low	35.9	Very low	160 Å²	160	131.4 Å²	131.4	79%	0.788	78%	0.784	S	S	*	*			cis	-148.8	173.9	-1	-138.8	-174.5	-86.9	0	0	112
5	A	38.6	Very low	35.6	Very low	83 Å²	83	139.8 Å²	139.8	69%	0.686	80%	0.796	S	S	*	*			trans	-56.2	178.8	178.3	0	0	0	0	0	116.7
6	F	40	Very low	34.9	Very low	179 Å²	179	136 Å²	136	79%	0.785	80%	0.797	S	S	*	*			trans	-165.5	132.5	133.7	-126.4	-112.9	0	0	0	113
7	E	37	Very low	34.5	Very low	126 Å²	126	133.9 Å²	133.9	59%	0.589	80%	0.799	S	S	*	*			trans	47.6	159.2	147.2	-67.9	-167.5	143.8	0	0	122.3
8	K	38.2	Very low	34	Very low	168 Å²	168	133.2 Å²	133.2	73%	0.73	80%	0.796	S	S	*	*			cis	-156.7	180	-0.8	-120.9	160.9	-176.2	143	0	105.9
9	A	34.8	Very low	33.6	Very low	80 Å²	80	132.4 Å²	132.4	66%	0.661	80%	0.796	S	S	*	*			cis	-156.1	131.7	-2.1	0	0	0	0	0	105.3
10	S	32.7	Very low	33.3	Very low	109 Å²	109	135.2 Å²	135.2	76%	0.762	80%	0.797	S	S	*	*				76	88.7	65.9	82.6	0	0	0	0	116.4
11	V	35.7	Very low	33.1	Very low	157 Å²	157	136.9 Å²	136.9	95%	0.952	80%	0.8	S	S	*	*			trans	-130.9	150.7	152.1	177.5	0	0	0	0	108
12	S	30.2	Very low	32.2	Very low	118 Å²	118	133 Å²	133	83%	0.825	78%	0.782	S	S	*	*			trans	-137	145	-150.3	56.5	0	0	0	0	116.6
13	G	32.5	Very low	31.9	Very low	86 Å²	86	133.8 Å²	133.8	89%	0.887	78%	0.781	S	S	*	*			trans	115.7	138.7	163.5	0	0	0	0	0	114.8
14	G	28.2	Very low	31.7	Very low	72 Å²	72	133.8 Å²	133.8	74%	0.742	78%	0.781	S	S	*	*			cis	179.1	155	-8.9	0	0	0	0	0	112.9
15	R	31	Very low	31.2	Very low	257 Å²	257	132.4 Å²	132.4	97%	0.97	78%	0.784	S	S	*	*			trans	64.8	89.9	173.1	-56.5	-174.2	-177	-161	0.8	118.1
16	G	25.3	Very low	30.8	Very low	79 Å²	79	134.8 Å²	134.8	81%	0.814	79%	0.791	S	S	*	*				62.4	95.4	126.5	0	0	0	0	0	119.9
17	A	27.3	Very low	30.3	Very low	100 Å²	100	131.5 Å²	131.5	83%	0.826	79%	0.79	S	S	*	*			trans	-138.9	54.2	162.9	0	0	0	0	0	111.6	C19	A17-C19 PolarHBondContact O-N 3.14Å
18	T	25.4	Very low	29.9	Very low	122 Å²	122	130.7 Å²	130.7	75%	0.748	80%	0.798	S	S	*	*			trans	-71.7	90.2	174	48.1	0	0	0	0	110.7	K20	T18-K20 PolarHBondContact O-N 2.97Å
19	C	27.4	Very low	29.6	Very low	118 Å²	118	127.7 Å²	127.7	80%	0.797	81%	0.805	S	S	*	*			trans	-74.3	77.4	171.7	-162.8	0	0	0	0	110.1	A17 M21	A17-C19 PolarHBondContact O-N 3.14Å; C19-M21 PolarHBondContact O-N 3.11Å; C19-M21 VanDerWaalsContact O-N 3.11Å
20	K	26.1	Very low	29.5	Very low	187 Å²	187	131.3 Å²	131.3	81%	0.813	81%	0.812	S	S	*	*			trans	-74.1	92.1	171.1	-75	-172	174.8	-174.4	0	109.3	T18 L22	T18-K20 PolarHBondContact O-N 2.97Å; K20-L22 PolarHBondContact O-N 3.04Å; K20-L22 VanDerWaalsContact O-N 3.15Å
21	M	30.6	Very low	29.5	Very low	172 Å²	172	130.7 Å²	130.7	85%	0.847	81%	0.808	S	S	*	*			trans	-73.1	101.5	159.6	-66.5	-152	-49.2	0	0	109.3	C19	C19-M21 PolarHBondContact O-N 3.11Å; C19-M21 VanDerWaalsContact O-N 3.11Å
22	L	27.2	Very low	29.6	Very low	148 Å²	148	130.4 Å²	130.4	78%	0.775	80%	0.801	S	S	*	*			trans	-56.2	146.1	143.4	-64.6	164.3	0	0	0	107.6	K20	K20-L22 PolarHBondContact O-N 3.04Å; K20-L22 VanDerWaalsContact O-N 3.15Å
23	I	30	Very low	29.9	Very low	129 Å²	129	126.8 Å²	126.8	66%	0.662	78%	0.782	S	S	*	*			cis	-153.6	152	11.2	-119.5	155.8	0	0	0	109.7
24	E	28.2	Very low	30.1	Very low	159 Å²	159	127 Å²	127	74%	0.743	76%	0.763	S	S	*	*			trans	45.3	146.5	158.2	-65.7	170.9	173.2	0	0	123.4
25	P	27.9	Very low	30.4	Very low	132 Å²	132	128.6 Å²	128.6	86%	0.857	75%	0.753	S	S	*	*			trans	-94.2	99.6	172.7	35.6	-29.9	0	0	0	112
26	T	31.8	Very low	30.5	Very low	133 Å²	133	119.9 Å²	119.9	82%	0.816	73%	0.732	S	S	*	*			trans	-101.8	120.1	168.7	34.3	0	0	0	0	111.9
27	S	29.5	Very low	30.9	Very low	109 Å²	109	119.4 Å²	119.4	76%	0.762	71%	0.713	S	S	*	*			trans	-72.7	164.8	172.9	54	0	0	0	0	112.7
28	S	28.7	Very low	31.2	Very low	110 Å²	110	119.4 Å²	119.4	77%	0.769	70%	0.699	S	S	*	*	S	Bend	trans	85.9	122.3	171.4	78.3	0	0	0	0	117.5	L30	S28-L30 PolarHBondContact O-N 2.62Å
29	A	31.6	Very low	31.5	Very low	105 Å²	105	118.2 Å²	118.2	87%	0.868	68%	0.683	S	S	*	*			trans	28.8	76.5	152.2	0	0	0	0	0	119
30	L	32.9	Very low	31.7	Very low	156 Å²	156	118.9 Å²	118.9	82%	0.817	68%	0.675	S	S	*	*			trans	-88.1	134.9	153.6	-70	171.3	0	0	0	109.5	S28	S28-L30 PolarHBondContact O-N 2.62Å
31	S	32.8	Very low	31.9	Very low	96 Å²	96	119.1 Å²	119.1	67%	0.671	67%	0.671	S	S	*	*			trans	-101.3	166.3	-174.5	59.2	0	0	0	0	112.2	G33	S31-G33 PolarHBondContact O-N 2.98Å
32	D	37.3	Very low	31.9	Very low	151 Å²	151	116.5 Å²	116.5	81%	0.807	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	-2.9	-177	-69.6	-60	0	0	0	115.7
33	G	36.4	Very low	32.1	Very low	42 Å²	42	114 Å²	114	43%	0.433	65%	0.653	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.2	-37.1	-176.6	0	0	0	0	0	115.2	S31 I35 S36	S31-G33 PolarHBondContact O-N 2.98Å; G33-I35 VanDerWaalsContact C-N 3.25Å; G33-I35 PolarHBondContact O-N 3.09Å; G33-S36 WeakPolarHBondContact O-CB 3.21Å; G33-S36 PolarHBondContact O-N 3.36Å; G33-S36 VanDerWaalsContact O-N 3.1Å
34	D	36.7	Very low	32	Very low	90 Å²	90	114.5 Å²	114.5	48%	0.481	66%	0.656	S	S	.	*	H	α-helix	trans	-69.9	-17.9	-168.5	-84.1	-41	0	0	0	114.6	S36 N38	D34-S36 VanDerWaalsContact C-N 3.32Å; D34-N38 PolarHBondContact O-ND2 2.89Å
35	I	34.3	Very low	32	Very low	106 Å²	106	117 Å²	117	54%	0.544	66%	0.664	S	S	.	*	H	α-helix	trans	-70.3	-32.8	175.3	-57.5	177.9	0	0	0	110.4	G33	G33-I35 VanDerWaalsContact C-N 3.25Å; G33-I35 PolarHBondContact O-N 3.09Å
36	S	32.8	Very low	32	Very low	73 Å²	73	114.3 Å²	114.3	51%	0.51	65%	0.654	S	S	.	*	H	α-helix	trans	-67.3	-50.1	-179.7	-168.4	0	0	0	0	111.9	G33 D34 N38 F39 E40	G33-S36 WeakPolarHBondContact O-CB 3.21Å; G33-S36 PolarHBondContact O-N 3.36Å; G33-S36 VanDerWaalsContact O-N 3.1Å; D34-S36 VanDerWaalsContact C-N 3.32Å; S36-N38 VanDerWaalsContact C-N 3.27Å; S36-N38 PolarHBondContact O-N 3.23Å; S36-F39 VanDerWaalsContact O-CB 3.25Å; S36-F39 WeakPolarHBondContact O-CB 3.29Å; S36-F39 PolarHBondContact O-N 2.99Å; S36-E40 PolarHBondContact O-N 2.79Å
37	V	33.5	Very low	31.9	Very low	69 Å²	69	116.2 Å²	116.2	42%	0.418	65%	0.653	S	S	.	*	H	α-helix	trans	-64.4	-31.8	-172.5	-173.9	0	0	0	0	112.3
38	N	33.2	Very low	31.8	Very low	100 Å²	100	117.2 Å²	117.2	54%	0.535	66%	0.66	S	S	.	*	H	α-helix	trans	-75.7	-25.5	175.6	-74.6	-70.7	0	0	0	112.9	D34 S36 M42	D34-N38 PolarHBondContact O-ND2 2.89Å; S36-N38 VanDerWaalsContact C-N 3.27Å; S36-N38 PolarHBondContact O-N 3.23Å; N38-M42 WeakPolarHBondContact O-CE 3.19Å
39	F	32.6	Very low	32	Very low	97 Å²	97	115.7 Å²	115.7	43%	0.425	66%	0.662	S	S	.	*	H	α-helix	trans	-70.6	-39.4	178.4	-140	-77.5	0	0	0	112	S36 R41 M42 H62	S36-F39 VanDerWaalsContact O-CB 3.25Å; S36-F39 WeakPolarHBondContact O-CB 3.29Å; S36-F39 PolarHBondContact O-N 2.99Å; F39-R41 PolarHBondContact O-N 3.08Å; F39-M42 PolarHBondContact O-N 3.11Å; F39-H62 HydrophobicContact CE2-CB 3.69Å; F39-H62 HydrophobicContact CZ-CB 3.56Å; F39-H62 AromaticContact CZ-CG 3.94Å
40	E	30.6	Very low	32.1	Very low	132 Å²	132	113.5 Å²	113.5	62%	0.617	64%	0.638	S	S	*	*	H	α-helix	trans	-62.3	-43.7	-178.1	-65.1	179.5	118.2	0	0	112.2	S36 M42 S43	S36-E40 PolarHBondContact O-N 2.79Å; E40-M42 VanDerWaalsContact C-N 3.29Å; E40-M42 PolarHBondContact O-N 3.06Å; E40-S43 PolarHBondContact O-N 3.4Å
41	R	32	Very low	32.4	Very low	193 Å²	193	110.2 Å²	110.2	73%	0.728	62%	0.621	S	S	*	*	H	α-helix	trans	-66.3	-25.5	-176.4	-68	-174.8	178.1	-177.4	1	114.2	F39 S43	F39-R41 PolarHBondContact O-N 3.08Å; R41-S43 VanDerWaalsContact C-N 3.32Å
42	M	29.8	Very low	32.6	Very low	117 Å²	117	109.1 Å²	109.1	58%	0.576	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-8.6	179.4	-71.3	-173.4	-76.5	0	0	114	N38 F39 E40 L44 H62	N38-M42 WeakPolarHBondContact O-CE 3.19Å; F39-M42 PolarHBondContact O-N 3.11Å; E40-M42 VanDerWaalsContact C-N 3.29Å; E40-M42 PolarHBondContact O-N 3.06Å; M42-L44 VanDerWaalsContact C-N 3.29Å; M42-L44 PolarHBondContact O-N 2.91Å; M42-H62 VanDerWaalsContact CE-CE1 3.5Å; M42-H62 WeakPolarHBondContact CE-CE1 3.28Å
43	S	32	Very low	32.9	Very low	95 Å²	95	103.5 Å²	103.5	66%	0.664	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-3.4	-179.2	-60.9	0	0	0	0	114	E40 R41	E40-S43 PolarHBondContact O-N 3.4Å; R41-S43 VanDerWaalsContact C-N 3.32Å
44	L	27.5	Very low	33.3	Very low	139 Å²	139	107 Å²	107	73%	0.728	59%	0.592	S	S	*	*	S	Bend	trans	-86.9	132.9	177.7	-70.6	160.4	0	0	0	111.2	M42	M42-L44 VanDerWaalsContact C-N 3.29Å; M42-L44 PolarHBondContact O-N 2.91Å
45	K	27.9	Very low	33.8	Very low	211 Å²	211	107.9 Å²	107.9	92%	0.917	59%	0.593	S	S	*	*			trans	76.1	69.3	179.8	-49.8	179.3	-176.9	-179.1	0	116
46	A	29	Very low	34.2	Very low	77 Å²	77	104.3 Å²	104.3	64%	0.636	58%	0.579	S	S	*	*			trans	-127.5	94.1	160.7	0	0	0	0	0	109.3	V50	A46-V50 HydrophobicContact CB-CG2 3.9Å
47	E	28	Very low	34.8	Very low	172 Å²	172	102 Å²	102	80%	0.804	56%	0.561	S	S	*	*			trans	-72.5	161.9	-171.7	-65.7	174.4	136.8	0	0	113.6	G49 V50	E47-G49 PolarHBondContact O-N 3.15Å; E47-V50 WeakPolarHBondContact O-CG2 3.31Å; E47-V50 PolarHBondContact O-N 3.49Å
48	S	28.6	Very low	35.5	Very low	130 Å²	130	101.8 Å²	101.8	91%	0.909	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.7	120.6	-178.3	50.9	0	0	0	0	112.9
49	G	32.6	Very low	36.2	Very low	79 Å²	79	99.1 Å²	99.1	81%	0.814	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	114.9	5.1	-177.8	0	0	0	0	0	115	E47 D51	E47-G49 PolarHBondContact O-N 3.15Å; G49-D51 PolarHBondContact O-N 3.27Å
50	V	33	Very low	36.7	Very low	59 Å²	59	94.5 Å²	94.5	36%	0.358	52%	0.522	S	S	.	.			trans	-60.4	102.6	175.3	176	0	0	0	0	111.4	A46 E47 K54	A46-V50 HydrophobicContact CB-CG2 3.9Å; E47-V50 WeakPolarHBondContact O-CG2 3.31Å; E47-V50 PolarHBondContact O-N 3.49Å; V50-K54 HydrophobicContact CG1-CB 3.99Å; V50-K54 HydrophobicContact CG1-CD 4.17Å; V50-K54 HydrophobicContact CG1-CG 4.42Å
51	D	40.2	Very low	37.3	Very low	87 Å²	87	94.4 Å²	94.4	47%	0.465	52%	0.516	S	S	.	.			trans	-44.2	137	173.9	-178.8	-0.7	0	0	0	112	G49 T53 K54 H55	G49-D51 PolarHBondContact O-N 3.27Å; D51-T53 PolarHBondContact O-N 3.3Å; D51-T53 VanDerWaalsContact O-N 3.1Å; D51-T53 PolarHBondContact OD1-N 3.36Å; D51-T53 PolarHBondContact OD1-OG1 3.16Å; D51-T53 WeakPolarHBondContact OD2-CB 3.39Å; D51-T53 WeakPolarHBondContact OD2-CG2 3.3Å; D51-T53 PolarHBondContact OD2-OG1 3.24Å; D51-K54 WeakPolarHBondContact O-CA 2.96Å; D51-K54 WeakPolarHBondContact O-CB 3.45Å; D51-K54 PolarHBondContact O-N 2.89Å; D51-H55 PolarHBondContact O-N 3.44Å
52	A	37.6	Very low	37.7	Very low	72 Å²	72	88.2 Å²	88.2	60%	0.595	50%	0.495	S	S	*	.	H	α-helix	trans	-56.5	-24.6	174.4	0	0	0	0	0	112.6	A56	A52-A56 WeakPolarHBondContact O-CB 3.32Å; A52-A56 PolarHBondContact O-N 2.72Å
53	T	42.4	Very low	38.2	Very low	33 Å²	33	83 Å²	83	20%	0.202	47%	0.471	C	S	.	.	H	α-helix	trans	-60.3	-45.6	167.9	67.7	0	0	0	0	112	D51 A56 E57	D51-T53 PolarHBondContact O-N 3.3Å; D51-T53 VanDerWaalsContact O-N 3.1Å; D51-T53 PolarHBondContact OD1-N 3.36Å; D51-T53 PolarHBondContact OD1-OG1 3.16Å; D51-T53 WeakPolarHBondContact OD2-CB 3.39Å; D51-T53 WeakPolarHBondContact OD2-CG2 3.3Å; D51-T53 PolarHBondContact OD2-OG1 3.24Å; T53-A56 CarbonylContact O-C 3.51Å; T53-A56 PolarHBondContact O-N 3.43Å; T53-E57 WeakPolarHBondContact O-CB 3.2Å; T53-E57 WeakPolarHBondContact O-CG 3.38Å; T53-E57 PolarHBondContact O-N 2.75Å
54	K	46	Very low	38.8	Very low	115 Å²	115	85.6 Å²	85.6	50%	0.5	48%	0.477	S	S	.	.	H	α-helix	trans	-71.8	-34.1	-174.4	-156.2	-179.7	-168.4	-176.6	0	111.5	V50 D51 E57 N58	V50-K54 HydrophobicContact CG1-CB 3.99Å; V50-K54 HydrophobicContact CG1-CD 4.17Å; V50-K54 HydrophobicContact CG1-CG 4.42Å; D51-K54 WeakPolarHBondContact O-CA 2.96Å; D51-K54 WeakPolarHBondContact O-CB 3.45Å; D51-K54 PolarHBondContact O-N 2.89Å; K54-E57 PolarHBondContact O-N 3.32Å; K54-N58 WeakPolarHBondContact O-CB 3.36Å; K54-N58 PolarHBondContact O-N 2.83Å
55	H	45.6	Very low	39.4	Very low	110 Å²	110	80.8 Å²	80.8	51%	0.509	45%	0.454	S	S	.	.	H	α-helix	trans	-68.7	-40.1	170.2	-165.4	73.1	0	0	0	111.6	D51 N58 L59	D51-H55 PolarHBondContact O-N 3.44Å; H55-N58 PolarHBondContact O-N 3.45Å; H55-L59 WeakPolarHBondContact O-CB 3.49Å; H55-L59 WeakPolarHBondContact O-CG 3.38Å; H55-L59 PolarHBondContact O-N 2.78Å
56	A	43.8	Very low	40.2	Very low	30 Å²	30	72.1 Å²	72.1	25%	0.248	42%	0.419	C	S	.	.	H	α-helix	trans	-68	-34.2	172.1	0	0	0	0	0	113.3	A52 T53 L59 A60	A52-A56 WeakPolarHBondContact O-CB 3.32Å; A52-A56 PolarHBondContact O-N 2.72Å; T53-A56 CarbonylContact O-C 3.51Å; T53-A56 PolarHBondContact O-N 3.43Å; A56-L59 PolarHBondContact O-N 3.48Å; A56-A60 WeakPolarHBondContact O-CB 3.25Å; A56-A60 PolarHBondContact O-N 2.77Å
57	E	45.7	Very low	40.8	Very low	26 Å²	26	74 Å²	74	12%	0.121	42%	0.415	C	S	.	.	H	α-helix	trans	-66	-41.6	172.7	-78.9	-171.4	157.6	0	0	110.9	T53 K54 A60 R61 I114 R117	T53-E57 WeakPolarHBondContact O-CB 3.2Å; T53-E57 WeakPolarHBondContact O-CG 3.38Å; T53-E57 PolarHBondContact O-N 2.75Å; K54-E57 PolarHBondContact O-N 3.32Å; E57-A60 PolarHBondContact O-N 2.9Å; E57-R61 WeakPolarHBondContact O-CB 3.37Å; E57-R61 VanDerWaalsContact O-CG 3.26Å; E57-R61 WeakPolarHBondContact O-CG 3.17Å; E57-R61 PolarHBondContact O-N 3.32Å; E57-I114 HydrophobicContact CG-CB 4.47Å; E57-I114 HydrophobicContact CG-CD1 3.81Å; E57-I114 HydrophobicContact CG-CG1 3.75Å; E57-I114 HydrophobicContact CG-CG2 3.94Å; E57-R117 IonicContact OE1-NH1 2.92Å; E57-R117 PolarHBondContact OE1-NH1 2.89Å
58	N	48	Very low	41.5	Very low	64 Å²	64	68 Å²	68	34%	0.342	39%	0.392	S	S	.	.	H	α-helix	trans	-66.3	-44.9	173.8	-77.1	0	0	0	0	111.5	K54 H55 A60 R61 H62	K54-N58 WeakPolarHBondContact O-CB 3.36Å; K54-N58 PolarHBondContact O-N 2.83Å; H55-N58 PolarHBondContact O-N 3.45Å; N58-A60 VanDerWaalsContact C-N 3.26Å; N58-A60 PolarHBondContact O-N 3.13Å; N58-R61 WeakPolarHBondContact O-CB 3.35Å; N58-R61 PolarHBondContact O-N 3.22Å; N58-R61 VanDerWaalsContact O-N 3.15Å; N58-R61 PolarHBondContact OD1-NH1 3.22Å; N58-H62 PolarHBondContact O-CD2 3.24Å; N58-H62 PolarHBondContact O-N 3.24Å
59	L	47.3	Very low	42.4	Very low	43 Å²	43	62.4 Å²	62.4	23%	0.225	35%	0.351	C	S	.	.	H	α-helix	trans	-60.5	-35.3	173.2	-72.8	166.5	0	0	0	112	H55 A56 A63 I72	H55-L59 WeakPolarHBondContact O-CB 3.49Å; H55-L59 WeakPolarHBondContact O-CG 3.38Å; H55-L59 PolarHBondContact O-N 2.78Å; A56-L59 PolarHBondContact O-N 3.48Å; L59-A63 WeakPolarHBondContact O-CB 3.22Å; L59-A63 PolarHBondContact O-N 2.91Å; L59-I72 HydrophobicContact CD1-CG2 4.17Å; L59-I72 HydrophobicContact CD2-CD1 4.48Å
60	A	43.8	Very low	43.1	Very low	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-74.2	-28.5	174.8	0	0	0	0	0	113.8	A56 E57 N58 L69 I114 F115	A56-A60 WeakPolarHBondContact O-CB 3.25Å; A56-A60 PolarHBondContact O-N 2.77Å; E57-A60 PolarHBondContact O-N 2.9Å; N58-A60 VanDerWaalsContact C-N 3.26Å; N58-A60 PolarHBondContact O-N 3.13Å; A60-L69 HydrophobicContact CB-CD1 3.96Å; A60-I114 HydrophobicContact CB-CG2 4.16Å; A60-F115 HydrophobicContact CB-CE1 3.84Å; A60-F115 HydrophobicContact CB-CZ 3.82Å
61	R	43.6	Very low	43.7	Very low	130 Å²	130	59.8 Å²	59.8	49%	0.491	32%	0.322	S	S	.	.	H	α-helix	trans	-71.6	-33.2	171.3	-76.9	168	175.1	158.2	3	112.7	E57 N58 F118	E57-R61 WeakPolarHBondContact O-CB 3.37Å; E57-R61 VanDerWaalsContact O-CG 3.26Å; E57-R61 WeakPolarHBondContact O-CG 3.17Å; E57-R61 PolarHBondContact O-N 3.32Å; N58-R61 WeakPolarHBondContact O-CB 3.35Å; N58-R61 PolarHBondContact O-N 3.22Å; N58-R61 VanDerWaalsContact O-N 3.15Å; N58-R61 PolarHBondContact OD1-NH1 3.22Å; R61-F118 HydrophobicContact CG-CE1 3.81Å; R61-F118 HydrophobicContact CG-CE2 4.01Å; R61-F118 HydrophobicContact CG-CZ 3.45Å; R61-F118 VanDerWaalsContact CG-CZ 3.45Å; R61-F118 VanDerWaalsContact NE-CZ 3.27Å
62	H	40.4	Very low	44.2	Very low	63 Å²	63	58 Å²	58	29%	0.292	31%	0.312	S	S	.	.	H	α-helix	trans	-97.4	-13.3	-178.6	-62.4	-55.7	0	0	0	113.8	F39 M42 N58 L64	F39-H62 HydrophobicContact CE2-CB 3.69Å; F39-H62 HydrophobicContact CZ-CB 3.56Å; F39-H62 AromaticContact CZ-CG 3.94Å; M42-H62 VanDerWaalsContact CE-CE1 3.5Å; M42-H62 WeakPolarHBondContact CE-CE1 3.28Å; N58-H62 PolarHBondContact O-CD2 3.24Å; N58-H62 PolarHBondContact O-N 3.24Å; H62-L64 PolarHBondContact O-N 2.92Å
63	A	39.2	Very low	44.8	Very low	9 Å²	9	55.6 Å²	55.6	7%	0.074	29%	0.29	C	S	.	.			trans	-71.5	90.1	169.2	0	0	0	0	0	110	L59 C65 C68 L69	L59-A63 WeakPolarHBondContact O-CB 3.22Å; L59-A63 PolarHBondContact O-N 2.91Å; A63-C65 PolarHBondContact O-N 3.42Å; A63-C68 HydrophobicContact CB-CB 4.12Å; A63-L69 HydrophobicContact CB-CB 4.21Å
64	L	44.5	Very low	45.1	Very low	149 Å²	149	55.5 Å²	55.5	78%	0.78	29%	0.287	S	S	*	.			trans	-57.3	-10.3	177.6	-69.8	166.5	0	0	0	114.5	H62	H62-L64 PolarHBondContact O-N 2.92Å
65	C	41.2	Very low	45.3	Very low	37 Å²	37	58.9 Å²	58.9	25%	0.25	30%	0.297	C	S	.	.	S	Bend	trans	-144	148	178	79.1	0	0	0	0	113.4	A63 E67 C68 L69	A63-C65 PolarHBondContact O-N 3.42Å; C65-E67 WeakPolarHBondContact CB-OE2 3.37Å; C65-E67 PolarHBondContact O-N 3.15Å; C65-E67 PolarHBondContact SG-OE2 3.43Å; C65-C68 HydrophobicContact CB-CB 4.23Å; C65-C68 WeakPolarHBondContact CB-SG 3.04Å; C65-C68 PolarHBondContact N-SG 3.29Å; C65-C68 WeakPolarHBondContact O-CB 3.49Å; C65-C68 PolarHBondContact O-N 2.95Å; C65-C68 WeakPolarHBondContact SG-CB 3.48Å; C65-C68 PolarHBondContact SG-N 2.65Å; C65-C68 CovalentContact SG-SG 2.05Å; C65-C68 PolarHBondContact SG-SG 3.41Å; C65-L69 PolarHBondContact O-N 3.45Å
66	P	43.2	Very low	45.5	Very low	29 Å²	29	56.6 Å²	56.6	19%	0.188	29%	0.287	C	S	.	.	H	α-helix	trans	-52.5	-37.7	172.3	-29.6	37	0	0	0	114.5	C68 L69 N70 A125 V126	P66-C68 VanDerWaalsContact C-N 3.32Å; P66-L69 PolarHBondContact O-N 3.36Å; P66-N70 PolarHBondContact O-N 3.31Å; P66-N70 VanDerWaalsContact O-N 3.15Å; P66-A125 WeakPolarHBondContact CB-O 3.25Å; P66-A125 HydrophobicContact CG-CB 3.84Å; P66-V126 HydrophobicContact CB-CB 4.26Å; P66-V126 HydrophobicContact CB-CG2 3.89Å; P66-V126 HydrophobicContact CG-CG2 4.47Å
67	E	43	Very low	45.6	Very low	118 Å²	118	55.1 Å²	55.1	55%	0.551	28%	0.276	S	S	*	.	H	α-helix	trans	-67.3	-36.1	178.5	-56.6	74.9	-167.6	0	0	110.8	C65 N70 A71	C65-E67 WeakPolarHBondContact CB-OE2 3.37Å; C65-E67 PolarHBondContact O-N 3.15Å; C65-E67 PolarHBondContact SG-OE2 3.43Å; E67-N70 PolarHBondContact O-N 2.88Å; E67-A71 WeakPolarHBondContact O-CB 3.43Å; E67-A71 PolarHBondContact O-N 3.29Å
68	C	42.9	Very low	45.7	Very low	46 Å²	46	60.5 Å²	60.5	31%	0.311	30%	0.295	S	S	.	.	H	α-helix	trans	-61.8	-46.6	177.8	-56.4	0	0	0	0	109.7	A63 C65 P66 A71 I72	A63-C68 HydrophobicContact CB-CB 4.12Å; C65-C68 HydrophobicContact CB-CB 4.23Å; C65-C68 WeakPolarHBondContact CB-SG 3.04Å; C65-C68 PolarHBondContact N-SG 3.29Å; C65-C68 WeakPolarHBondContact O-CB 3.49Å; C65-C68 PolarHBondContact O-N 2.95Å; C65-C68 WeakPolarHBondContact SG-CB 3.48Å; C65-C68 PolarHBondContact SG-N 2.65Å; C65-C68 CovalentContact SG-SG 2.05Å; C65-C68 PolarHBondContact SG-SG 3.41Å; P66-C68 VanDerWaalsContact C-N 3.32Å; C68-A71 PolarHBondContact O-N 3.03Å; C68-I72 WeakPolarHBondContact O-CD1 3.38Å; C68-I72 VanDerWaalsContact O-CG1 3.24Å; C68-I72 WeakPolarHBondContact O-CG1 3.12Å; C68-I72 PolarHBondContact O-N 2.05Å
69	L	47.2	Very low	45.8	Very low	11 Å²	11	66.4 Å²	66.4	6%	0.058	31%	0.312	C	S	.	.	H	α-helix	trans	-61.2	-47.4	174.3	-174.3	90.6	0	0	0	111.6	A60 A63 C65 P66 A71 I72 L73 L111 F115	A60-L69 HydrophobicContact CB-CD1 3.96Å; A63-L69 HydrophobicContact CB-CB 4.21Å; C65-L69 PolarHBondContact O-N 3.45Å; P66-L69 PolarHBondContact O-N 3.36Å; L69-A71 VanDerWaalsContact C-N 3.32Å; L69-A71 PolarHBondContact O-N 3.06Å; L69-I72 PolarHBondContact O-N 3.47Å; L69-I72 VanDerWaalsContact O-N 3.15Å; L69-L73 HydrophobicContact CD2-CD1 4.06Å; L69-L73 HydrophobicContact CG-CD1 4.07Å; L69-L73 WeakPolarHBondContact O-CG 3.16Å; L69-L73 PolarHBondContact O-N 2.97Å; L69-L111 HydrophobicContact CD2-CD1 4.4Å; L69-L111 HydrophobicContact CD2-CD2 4.35Å; L69-F115 HydrophobicContact CD1-CZ 4.01Å; L69-F115 HydrophobicContact CD2-CE2 3.65Å; L69-F115 HydrophobicContact CD2-CZ 3.57Å; L69-F115 HydrophobicContact CG-CZ 4.31Å
70	N	46.2	Very low	45.6	Very low	41 Å²	41	68.7 Å²	68.7	22%	0.219	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-43.4	-179.7	-166.8	24.4	0	0	0	111.2	P66 E67 I72 L73 L74	P66-N70 PolarHBondContact O-N 3.31Å; P66-N70 VanDerWaalsContact O-N 3.15Å; E67-N70 PolarHBondContact O-N 2.88Å; N70-I72 PolarHBondContact O-N 3.27Å; N70-L73 PolarHBondContact O-N 2.86Å; N70-L74 WeakPolarHBondContact O-CB 3.14Å; N70-L74 VanDerWaalsContact O-CG 3.32Å; N70-L74 WeakPolarHBondContact O-CG 3.48Å; N70-L74 PolarHBondContact O-N 3.4Å
71	A	46.1	Very low	45.6	Very low	42 Å²	42	70.8 Å²	70.8	35%	0.347	33%	0.328	S	S	.	.	H	α-helix	trans	-62.5	-38	174.5	0	0	0	0	0	113.1	E67 C68 L69 R75	E67-A71 WeakPolarHBondContact O-CB 3.43Å; E67-A71 PolarHBondContact O-N 3.29Å; C68-A71 PolarHBondContact O-N 3.03Å; L69-A71 VanDerWaalsContact C-N 3.32Å; L69-A71 PolarHBondContact O-N 3.06Å; A71-R75 WeakPolarHBondContact O-CB 3.21Å; A71-R75 WeakPolarHBondContact O-CG 3.37Å; A71-R75 PolarHBondContact O-N 3.34Å
72	I	49.4	Very low	45.7	Very low	49 Å²	49	74.5 Å²	74.5	25%	0.251	34%	0.342	S	S	.	.	H	α-helix	trans	-64.6	-47.4	174.3	-71.3	161.8	0	0	0	110.7	L59 C68 L69 N70 L74 R75 M76	L59-I72 HydrophobicContact CD1-CG2 4.17Å; L59-I72 HydrophobicContact CD2-CD1 4.48Å; C68-I72 WeakPolarHBondContact O-CD1 3.38Å; C68-I72 VanDerWaalsContact O-CG1 3.24Å; C68-I72 WeakPolarHBondContact O-CG1 3.12Å; C68-I72 PolarHBondContact O-N 2.05Å; L69-I72 PolarHBondContact O-N 3.47Å; L69-I72 VanDerWaalsContact O-N 3.15Å; N70-I72 PolarHBondContact O-N 3.27Å; I72-L74 PolarHBondContact O-N 2.92Å; I72-R75 PolarHBondContact O-N 3.31Å; I72-M76 HydrophobicContact CG2-CE 4.32Å; I72-M76 WeakPolarHBondContact O-CG 3.29Å; I72-M76 PolarHBondContact O-N 3.26Å
73	L	50.5	Low	45.7	Very low	23 Å²	23	75.1 Å²	75.1	12%	0.12	34%	0.341	C	S	.	.	H	α-helix	trans	-62	-44	178.5	-68.1	169.5	0	0	0	111.8	L69 N70 M76 G77 L111 L133	L69-L73 HydrophobicContact CD2-CD1 4.06Å; L69-L73 HydrophobicContact CG-CD1 4.07Å; L69-L73 WeakPolarHBondContact O-CG 3.16Å; L69-L73 PolarHBondContact O-N 2.97Å; N70-L73 PolarHBondContact O-N 2.86Å; L73-M76 HydrophobicContact CD2-CE 4.05Å; L73-M76 PolarHBondContact O-N 3.15Å; L73-G77 PolarHBondContact O-N 3.14Å; L73-L111 HydrophobicContact CD1-CD1 3.96Å; L73-L133 HydrophobicContact CB-CD2 4.3Å
74	L	50	Low	45.7	Very low	30 Å²	30	78.1 Å²	78.1	16%	0.157	35%	0.353	C	S	.	.	H	α-helix	trans	-58.6	-45.9	172.9	-77.7	163.8	0	0	0	112.3	N70 I72 G77 R78 D132 L133	N70-L74 WeakPolarHBondContact O-CB 3.14Å; N70-L74 VanDerWaalsContact O-CG 3.32Å; N70-L74 WeakPolarHBondContact O-CG 3.48Å; N70-L74 PolarHBondContact O-N 3.4Å; I72-L74 PolarHBondContact O-N 2.92Å; L74-G77 PolarHBondContact O-N 2.94Å; L74-R78 WeakPolarHBondContact O-CG 3.39Å; L74-R78 PolarHBondContact O-N 3.26Å; L74-D132 WeakPolarHBondContact CD2-O 3.21Å; L74-L133 HydrophobicContact CD2-CB 4.47Å; L74-L133 HydrophobicContact CD2-CD2 3.66Å; L74-L133 HydrophobicContact CD2-CG 3.83Å; L74-L133 HydrophobicContact CG-CD2 3.78Å; L74-L133 HydrophobicContact CG-CG 4.11Å
75	R	49.7	Very low	45.4	Very low	186 Å²	186	75 Å²	75	70%	0.702	33%	0.333	S	S	*	.	H	α-helix	trans	-65.9	-41.6	178.7	-75.9	172.9	179	-167.1	1.2	111.9	A71 I72 R79	A71-R75 WeakPolarHBondContact O-CB 3.21Å; A71-R75 WeakPolarHBondContact O-CG 3.37Å; A71-R75 PolarHBondContact O-N 3.34Å; I72-R75 PolarHBondContact O-N 3.31Å; R75-R79 WeakPolarHBondContact O-CB 3.45Å; R75-R79 WeakPolarHBondContact O-CG 3.38Å; R75-R79 PolarHBondContact O-N 3.07Å
76	M	49.5	Very low	45.2	Very low	62 Å²	62	77.1 Å²	77.1	31%	0.305	35%	0.346	S	S	.	.	H	α-helix	trans	-63.7	-46	175	-73.2	-156.6	-65.5	0	0	111.8	I72 L73 R79 R80	I72-M76 HydrophobicContact CG2-CE 4.32Å; I72-M76 WeakPolarHBondContact O-CG 3.29Å; I72-M76 PolarHBondContact O-N 3.26Å; L73-M76 HydrophobicContact CD2-CE 4.05Å; L73-M76 PolarHBondContact O-N 3.15Å; M76-R79 PolarHBondContact O-N 3.4Å; M76-R80 WeakPolarHBondContact O-CG 3.25Å; M76-R80 PolarHBondContact O-N 3.42Å
77	G	46.5	Very low	44.9	Very low	0 Å²	0	85.8 Å²	85.8	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-57.1	-52.9	177	0	0	0	0	0	112.7	L73 L74 R79 R80 E81	L73-G77 PolarHBondContact O-N 3.14Å; L74-G77 PolarHBondContact O-N 2.94Å; G77-R79 PolarHBondContact O-N 3.09Å; G77-R80 PolarHBondContact O-N 3.21Å; G77-R80 VanDerWaalsContact O-N 3.14Å; G77-E81 PolarHBondContact O-N 2.88Å
78	R	48.6	Very low	44.7	Very low	139 Å²	139	83.4 Å²	83.4	53%	0.525	37%	0.365	S	S	.	.	H	α-helix	trans	-62.7	-37.3	178	-68.5	-178.9	-176.3	-171.6	1.6	113.3	L74 R80 R82	L74-R78 WeakPolarHBondContact O-CG 3.39Å; L74-R78 PolarHBondContact O-N 3.26Å; R78-R80 VanDerWaalsContact C-N 3.34Å; R78-R82 WeakPolarHBondContact O-CG 3.17Å; R78-R82 PolarHBondContact O-N 3.3Å
79	R	48.2	Very low	44.6	Very low	188 Å²	188	87 Å²	87	71%	0.709	39%	0.388	S	S	*	.	H	α-helix	trans	-63.7	-39	173.8	-81.3	-178.5	171.5	-172.2	-2.9	111.6	R75 M76 G77 R83	R75-R79 WeakPolarHBondContact O-CB 3.45Å; R75-R79 WeakPolarHBondContact O-CG 3.38Å; R75-R79 PolarHBondContact O-N 3.07Å; M76-R79 PolarHBondContact O-N 3.4Å; G77-R79 PolarHBondContact O-N 3.09Å; R79-R83 WeakPolarHBondContact O-CB 3.38Å; R79-R83 PolarHBondContact O-N 2.95Å
80	R	44.9	Very low	44.5	Very low	90 Å²	90	90.4 Å²	90.4	34%	0.34	42%	0.418	S	S	.	.	H	α-helix	trans	-73.9	-41.6	177.3	-70.7	-177.9	173.1	-162.8	-2.2	112.9	M76 G77 R78 R82 R83 F84 V139	M76-R80 WeakPolarHBondContact O-CG 3.25Å; M76-R80 PolarHBondContact O-N 3.42Å; G77-R80 PolarHBondContact O-N 3.21Å; G77-R80 VanDerWaalsContact O-N 3.14Å; R78-R80 VanDerWaalsContact C-N 3.34Å; R80-R82 VanDerWaalsContact C-N 3.32Å; R80-R82 PolarHBondContact O-N 3.39Å; R80-R83 PolarHBondContact O-N 2.81Å; R80-F84 HydrophobicContact CB-CD2 4.17Å; R80-F84 HydrophobicContact CB-CE2 4.46Å; R80-F84 HydrophobicContact CG-CE2 4.38Å; R80-F84 WeakPolarHBondContact O-CD2 3.35Å; R80-F84 PolarHBondContact O-N 3.04Å; R80-V139 HydrophobicContact CB-CB 3.82Å; R80-V139 HydrophobicContact CB-CG1 3.51Å; R80-V139 WeakPolarHBondContact CD-O 3.39Å; R80-V139 PolarHBondContact NH1-O 2.93Å
81	E	42.2	Very low	44.1	Very low	45 Å²	45	96.1 Å²	96.1	21%	0.21	44%	0.437	C	S	.	.	H	α-helix	trans	-56.6	-47.8	177.7	-166.5	177.4	-156	0	0	110.4	G77 R83 F85 R96 V139	G77-E81 PolarHBondContact O-N 2.88Å; E81-R83 VanDerWaalsContact C-N 3.29Å; E81-R83 PolarHBondContact O-N 3.17Å; E81-F85 CarbonylContact O-C 3.58Å; E81-F85 WeakPolarHBondContact O-CA 3.4Å; E81-F85 PolarHBondContact O-N 3.36Å; E81-R96 IonicContact OE1-CZ 3.4Å; E81-R96 IonicContact OE1-NH1 2.79Å; E81-R96 PolarHBondContact OE1-NH1 2.84Å; E81-R96 IonicContact OE1-NH2 3.01Å; E81-R96 PolarHBondContact OE1-NH2 3.34Å; E81-V139 HydrophobicContact CB-CG2 3.94Å; E81-V139 HydrophobicContact CG-CG2 4.41Å
82	R	47.1	Very low	43.8	Very low	207 Å²	207	98 Å²	98	78%	0.781	45%	0.447	S	S	*	.	H	α-helix	trans	-64	-25.8	175.3	-68.5	178.3	175.7	-167	-3.2	114.8	R78 R80	R78-R82 WeakPolarHBondContact O-CG 3.17Å; R78-R82 PolarHBondContact O-N 3.3Å; R80-R82 VanDerWaalsContact C-N 3.32Å; R80-R82 PolarHBondContact O-N 3.39Å
83	R	39.4	Very low	43.3	Very low	76 Å²	76	99.8 Å²	99.8	29%	0.287	46%	0.462	S	S	.	.	H	α-helix	trans	-87	-39.7	-178.7	-178.7	-179.9	172.6	-177.8	-12.2	112.8	R79 R80 E81 E187 F188	R79-R83 WeakPolarHBondContact O-CB 3.38Å; R79-R83 PolarHBondContact O-N 2.95Å; R80-R83 PolarHBondContact O-N 2.81Å; E81-R83 VanDerWaalsContact C-N 3.29Å; E81-R83 PolarHBondContact O-N 3.17Å; R83-E187 PolarHBondContact NH1-O 3.12Å; R83-E187 PolarHBondContact NH2-O 3.48Å; R83-F188 PolarHBondContact NH2-O 2.8Å; R83-F188 VanDerWaalsContact NH2-O 3.13Å
84	F	39.9	Very low	42.5	Very low	73 Å²	73	102.3 Å²	102.3	32%	0.32	49%	0.486	S	S	.	.	H	α-helix	trans	-102.7	-20.9	-173.3	-66.1	-71.9	0	0	0	113.9	R80 V139 I143 I145	R80-F84 HydrophobicContact CB-CD2 4.17Å; R80-F84 HydrophobicContact CB-CE2 4.46Å; R80-F84 HydrophobicContact CG-CE2 4.38Å; R80-F84 WeakPolarHBondContact O-CD2 3.35Å; R80-F84 PolarHBondContact O-N 3.04Å; F84-V139 HydrophobicContact CB-CG1 4.43Å; F84-V139 HydrophobicContact CD2-CG1 4.1Å; F84-I143 HydrophobicContact CB-CD1 4.21Å; F84-I143 HydrophobicContact CD1-CD1 3.8Å; F84-I143 HydrophobicContact CD2-CD1 3.66Å; F84-I143 HydrophobicContact CE1-CD1 4.04Å; F84-I143 HydrophobicContact CE2-CD1 3.91Å; F84-I143 HydrophobicContact CG-CD1 3.61Å; F84-I143 HydrophobicContact CZ-CD1 4.1Å; F84-I145 HydrophobicContact CE1-CD1 4.15Å
85	F	36.7	Very low	41.8	Very low	84 Å²	84	103.7 Å²	103.7	37%	0.368	51%	0.508	S	S	.	.			trans	-126.2	48.7	177	-57.2	-79	0	0	0	112.8	E81 Y87 E88 V139	E81-F85 CarbonylContact O-C 3.58Å; E81-F85 WeakPolarHBondContact O-CA 3.4Å; E81-F85 PolarHBondContact O-N 3.36Å; F85-Y87 PolarHBondContact O-N 2.75Å; F85-E88 HydrophobicContact CB-CB 4.28Å; F85-E88 HydrophobicContact CB-CG 4.4Å; F85-E88 HydrophobicContact CD1-CG 4.12Å; F85-E88 PolarHBondContact O-N 2.86Å; F85-V139 HydrophobicContact CD2-CG1 4.41Å; F85-V139 HydrophobicContact CD2-CG2 4.35Å; F85-V139 HydrophobicContact CE2-CG1 4Å; F85-V139 HydrophobicContact CE2-CG2 4.25Å
86	P	38.9	Very low	41	Very low	80 Å²	80	97.2 Å²	97.2	52%	0.519	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-13.7	-178.3	27.8	-36	0	0	0	114.3
87	Y	36.2	Very low	40.1	Very low	212 Å²	212	99.2 Å²	99.2	83%	0.831	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	15.3	-177.4	-53.3	-65.3	0	0	0	114.3	F85 P89	F85-Y87 PolarHBondContact O-N 2.75Å; Y87-P89 WeakPolarHBondContact O-CD 3.23Å
88	E	39.5	Very low	39.7	Very low	67 Å²	67	105.6 Å²	105.6	31%	0.313	52%	0.523	S	S	.	.			trans	-93.7	99	166.8	-74	-150.3	160.6	0	0	111.1	F85 A90 R91	F85-E88 HydrophobicContact CB-CB 4.28Å; F85-E88 HydrophobicContact CB-CG 4.4Å; F85-E88 HydrophobicContact CD1-CG 4.12Å; F85-E88 PolarHBondContact O-N 2.86Å; E88-A90 PolarHBondContact O-N 3.33Å; E88-R91 IonicContact OE1-CZ 3.2Å; E88-R91 IonicContact OE1-NE 2.82Å; E88-R91 PolarHBondContact OE1-NE 2.83Å; E88-R91 IonicContact OE1-NH2 2.71Å; E88-R91 PolarHBondContact OE1-NH2 3Å; E88-R91 WeakPolarHBondContact OE2-CD 3.47Å; E88-R91 WeakPolarHBondContact OE2-CG 3.2Å; E88-R91 IonicContact OE2-CZ 3.93Å; E88-R91 IonicContact OE2-NE 2.91Å; E88-R91 PolarHBondContact OE2-NE 3.13Å
89	P	39.3	Very low	39	Very low	122 Å²	122	102 Å²	102	79%	0.792	52%	0.523	S	S	*	.			trans	-67.1	98.5	163.8	28.9	-33.5	0	0	0	109.1	Y87 R91	Y87-P89 WeakPolarHBondContact O-CD 3.23Å; P89-R91 PolarHBondContact O-N 3.49Å
90	A	44.8	Very low	38.8	Very low	82 Å²	82	93.5 Å²	93.5	68%	0.678	49%	0.492	S	S	*	.			trans	37.2	69.4	160.4	0	0	0	0	0	116.1	E88 S92	E88-A90 PolarHBondContact O-N 3.33Å; A90-S92 PolarHBondContact O-N 3.12Å
91	R	39.2	Very low	38.6	Very low	162 Å²	162	93 Å²	93	61%	0.611	50%	0.499	S	S	*	.			trans	-41.9	128	160.6	-77.5	-172.3	-168.9	-135.6	-2.1	109.4	E88 P89 R96	E88-R91 IonicContact OE1-CZ 3.2Å; E88-R91 IonicContact OE1-NE 2.82Å; E88-R91 PolarHBondContact OE1-NE 2.83Å; E88-R91 IonicContact OE1-NH2 2.71Å; E88-R91 PolarHBondContact OE1-NH2 3Å; E88-R91 WeakPolarHBondContact OE2-CD 3.47Å; E88-R91 WeakPolarHBondContact OE2-CG 3.2Å; E88-R91 IonicContact OE2-CZ 3.93Å; E88-R91 IonicContact OE2-NE 2.91Å; E88-R91 PolarHBondContact OE2-NE 3.13Å; P89-R91 PolarHBondContact O-N 3.49Å; R91-R96 PolarHBondContact O-NE 2.81Å
92	S	40.2	Very low	38.7	Very low	82 Å²	82	98.6 Å²	98.6	57%	0.573	52%	0.523	S	S	*	.			trans	-53.8	139.5	-171.4	66.6	0	0	0	0	111.5	A90 A94 G95	A90-S92 PolarHBondContact O-N 3.12Å; S92-A94 PolarHBondContact O-N 3.31Å; S92-A94 VanDerWaalsContact O-N 3.12Å; S92-G95 PolarHBondContact O-N 2.67Å
93	P	37.7	Very low	38.4	Very low	86 Å²	86	89.7 Å²	89.7	56%	0.558	49%	0.492	S	S	*	.	H	α-helix	trans	-58.6	-34.6	-168.1	19.1	-31.7	0	0	0	112.8	G95 R96 F97	P93-G95 PolarHBondContact O-N 2.98Å; P93-G95 VanDerWaalsContact O-N 3.13Å; P93-R96 PolarHBondContact O-N 2.98Å; P93-F97 HydrophobicContact CB-CD2 4.43Å; P93-F97 HydrophobicContact CB-CE2 3.99Å; P93-F97 WeakPolarHBondContact O-CD2 3.26Å; P93-F97 PolarHBondContact O-N 3.05Å
94	A	33.1	Very low	38.7	Very low	75 Å²	75	87.4 Å²	87.4	62%	0.62	49%	0.485	S	S	*	.	H	α-helix	trans	-52.6	-34.8	176.5	0	0	0	0	0	113.8	S92	S92-A94 PolarHBondContact O-N 3.31Å; S92-A94 VanDerWaalsContact O-N 3.12Å
95	G	36.4	Very low	39.2	Very low	60 Å²	60	90.3 Å²	90.3	62%	0.619	50%	0.498	S	S	*	.	H	α-helix	trans	-79	-23.5	178.1	0	0	0	0	0	114.7	S92 P93	S92-G95 PolarHBondContact O-N 2.67Å; P93-G95 PolarHBondContact O-N 2.98Å; P93-G95 VanDerWaalsContact O-N 3.13Å
96	R	32.3	Very low	39.8	Very low	50 Å²	50	95.4 Å²	95.4	19%	0.189	52%	0.515	C	S	.	.	H	α-helix	trans	-75.3	-51.9	178.2	-62.7	-176.2	174.5	-140.7	-4.3	110.6	E81 R91 P93 I98 A99 D100 P135	E81-R96 IonicContact OE1-CZ 3.4Å; E81-R96 IonicContact OE1-NH1 2.79Å; E81-R96 PolarHBondContact OE1-NH1 2.84Å; E81-R96 IonicContact OE1-NH2 3.01Å; E81-R96 PolarHBondContact OE1-NH2 3.34Å; R91-R96 PolarHBondContact O-NE 2.81Å; P93-R96 PolarHBondContact O-N 2.98Å; R96-I98 VanDerWaalsContact C-N 3.3Å; R96-I98 PolarHBondContact O-N 3.25Å; R96-A99 PolarHBondContact O-N 2.92Å; R96-D100 VanDerWaalsContact C-OD2 3.28Å; R96-D100 PolarHBondContact O-N 3.43Å; R96-P135 PolarHBondContact NH1-O 3.15Å; R96-P135 VanDerWaalsContact NH1-O 3.08Å
97	F	31.5	Very low	40.3	Very low	104 Å²	104	93.4 Å²	93.4	46%	0.456	50%	0.499	S	S	.	.	H	α-helix	trans	-58.5	-30.7	-163.4	-81.2	-131	0	0	0	115.3	P93 D100 T101	P93-F97 HydrophobicContact CB-CD2 4.43Å; P93-F97 HydrophobicContact CB-CE2 3.99Å; P93-F97 WeakPolarHBondContact O-CD2 3.26Å; P93-F97 PolarHBondContact O-N 3.05Å; F97-D100 PolarHBondContact O-N 2.98Å; F97-T101 PolarHBondContact O-N 2.96Å
98	I	36.7	Very low	40.8	Very low	134 Å²	134	86 Å²	86	69%	0.687	47%	0.472	S	S	*	.	H	α-helix	trans	-69.7	-43.7	-174.1	-61.7	172.9	0	0	0	111.7	R96 D100 T101	R96-I98 VanDerWaalsContact C-N 3.3Å; R96-I98 PolarHBondContact O-N 3.25Å; I98-D100 VanDerWaalsContact C-N 3.33Å; I98-T101 PolarHBondContact O-OG1 3.15Å
99	A	33.9	Very low	41.5	Very low	64 Å²	64	88.3 Å²	88.3	53%	0.529	49%	0.485	S	S	.	.	H	α-helix	trans	-68.6	-38	173.7	0	0	0	0	0	111	R96 T101 K102 S103	R96-A99 PolarHBondContact O-N 2.92Å; A99-T101 PolarHBondContact O-N 3.5Å; A99-K102 PolarHBondContact O-N 2.99Å; A99-S103 PolarHBondContact O-N 3.18Å
100	D	44	Very low	42	Very low	9 Å²	9	89.9 Å²	89.9	5%	0.048	48%	0.475	C	S	.	.	H	α-helix	trans	-60.1	-42.8	-175.2	-62.1	-14.5	0	0	0	112.7	R96 F97 I98 K102 S103 L104 T137	R96-D100 VanDerWaalsContact C-OD2 3.28Å; R96-D100 PolarHBondContact O-N 3.43Å; F97-D100 PolarHBondContact O-N 2.98Å; I98-D100 VanDerWaalsContact C-N 3.33Å; D100-K102 PolarHBondContact O-N 3.1Å; D100-K102 VanDerWaalsContact O-N 3.15Å; D100-S103 PolarHBondContact O-N 2.87Å; D100-S103 VanDerWaalsContact O-N 3.07Å; D100-L104 HydrophobicContact CB-CD1 4.26Å; D100-L104 VanDerWaalsContact O-CB 3.23Å; D100-L104 WeakPolarHBondContact O-CB 3.12Å; D100-L104 WeakPolarHBondContact O-CG 3.3Å; D100-L104 PolarHBondContact O-N 3.31Å; D100-T137 HydrophobicContact CB-CG2 3.84Å; D100-T137 WeakPolarHBondContact OD1-CB 3.12Å; D100-T137 PolarHBondContact OD1-OG1 2.93Å; D100-T137 VanDerWaalsContact OD1-OG1 3.12Å; D100-T137 VanDerWaalsContact OD2-CB 3.3Å; D100-T137 WeakPolarHBondContact OD2-CB 3.12Å; D100-T137 PolarHBondContact OD2-OG1 2.9Å
101	T	40.8	Very low	42.2	Very low	80 Å²	80	87 Å²	87	49%	0.491	45%	0.448	S	S	.	.	H	α-helix	trans	-56.8	-34	-179.4	58.2	0	0	0	0	113.7	F97 I98 A99 K105	F97-T101 PolarHBondContact O-N 2.96Å; I98-T101 PolarHBondContact O-OG1 3.15Å; A99-T101 PolarHBondContact O-N 3.5Å; T101-K105 WeakPolarHBondContact O-CB 3.5Å; T101-K105 VanDerWaalsContact O-CG 3.25Å; T101-K105 WeakPolarHBondContact O-CG 3.48Å; T101-K105 PolarHBondContact O-N 3.46Å
102	K	44.9	Very low	42.6	Very low	162 Å²	162	83.6 Å²	83.6	70%	0.704	44%	0.438	S	S	*	.	H	α-helix	trans	-78.8	-37.5	176.5	-69.7	-178	-179.6	176.2	0	112	A99 D100 R106	A99-K102 PolarHBondContact O-N 2.99Å; D100-K102 PolarHBondContact O-N 3.1Å; D100-K102 VanDerWaalsContact O-N 3.15Å; K102-R106 WeakPolarHBondContact O-CG 3.49Å; K102-R106 PolarHBondContact O-N 3.1Å; K102-R106 VanDerWaalsContact O-N 3.09Å
103	S	41.7	Very low	43.1	Very low	19 Å²	19	83.4 Å²	83.4	13%	0.133	43%	0.431	C	S	.	.	H	α-helix	trans	-74.5	-44.2	179.3	-163.9	0	0	0	0	112.2	A99 D100 K105 R106 M107 N141	A99-S103 PolarHBondContact O-N 3.18Å; D100-S103 PolarHBondContact O-N 2.87Å; D100-S103 VanDerWaalsContact O-N 3.07Å; S103-K105 PolarHBondContact O-N 3.05Å; S103-R106 WeakPolarHBondContact O-CB 3.5Å; S103-R106 PolarHBondContact O-N 3.05Å; S103-R106 VanDerWaalsContact O-N 3.14Å; S103-M107 WeakPolarHBondContact O-CB 3.4Å; S103-M107 PolarHBondContact O-N 2.68Å; S103-N141 WeakPolarHBondContact CB-OD1 3.33Å; S103-N141 PolarHBondContact OG-OD1 2.59Å
104	L	45.3	Very low	43.4	Very low	29 Å²	29	80 Å²	80	15%	0.152	41%	0.407	C	S	.	.	H	α-helix	trans	-54.5	-48.8	169.9	-73.5	171.6	0	0	0	110.9	D100 R106 M107 E108 T137	D100-L104 HydrophobicContact CB-CD1 4.26Å; D100-L104 VanDerWaalsContact O-CB 3.23Å; D100-L104 WeakPolarHBondContact O-CB 3.12Å; D100-L104 WeakPolarHBondContact O-CG 3.3Å; D100-L104 PolarHBondContact O-N 3.31Å; L104-R106 PolarHBondContact O-N 2.94Å; L104-M107 HydrophobicContact CD2-CE 3.87Å; L104-M107 PolarHBondContact O-N 3.47Å; L104-E108 VanDerWaalsContact O-CB 3.22Å; L104-E108 WeakPolarHBondContact O-CB 3.32Å; L104-E108 PolarHBondContact O-N 3.48Å; L104-T137 HydrophobicContact CD1-CG2 3.94Å; L104-T137 HydrophobicContact CD2-CG2 3.94Å; L104-T137 HydrophobicContact CG-CG2 3.94Å
105	K	49.9	Very low	43.9	Very low	134 Å²	134	76.9 Å²	76.9	58%	0.583	38%	0.38	S	S	*	.	H	α-helix	trans	-61.2	-39.7	175.7	-79.4	179.6	177.2	-176.1	0	113.1	T101 S103 I109	T101-K105 WeakPolarHBondContact O-CB 3.5Å; T101-K105 VanDerWaalsContact O-CG 3.25Å; T101-K105 WeakPolarHBondContact O-CG 3.48Å; T101-K105 PolarHBondContact O-N 3.46Å; S103-K105 PolarHBondContact O-N 3.05Å; K105-I109 WeakPolarHBondContact O-CB 3.22Å; K105-I109 WeakPolarHBondContact O-CD1 3.42Å; K105-I109 WeakPolarHBondContact O-CG1 3.35Å; K105-I109 PolarHBondContact O-N 3.29Å
106	R	50.4	Low	44.3	Very low	191 Å²	191	78.5 Å²	78.5	72%	0.721	38%	0.382	S	S	*	.	H	α-helix	trans	-62.7	-43.4	174.1	-77.6	174.8	173	-171.8	-2.7	111.9	K102 S103 L104 I109 R110	K102-R106 WeakPolarHBondContact O-CG 3.49Å; K102-R106 PolarHBondContact O-N 3.1Å; K102-R106 VanDerWaalsContact O-N 3.09Å; S103-R106 WeakPolarHBondContact O-CB 3.5Å; S103-R106 PolarHBondContact O-N 3.05Å; S103-R106 VanDerWaalsContact O-N 3.14Å; L104-R106 PolarHBondContact O-N 2.94Å; R106-I109 PolarHBondContact O-N 3.23Å; R106-R110 WeakPolarHBondContact O-CG 3.39Å; R106-R110 PolarHBondContact O-N 2.82Å
107	M	47.8	Very low	44.8	Very low	38 Å²	38	83.6 Å²	83.6	19%	0.187	40%	0.401	C	S	.	.	H	α-helix	trans	-69.2	-41	178.4	-178.8	162.8	46.4	0	0	111.9	S103 L104 R110 L111 L140	S103-M107 WeakPolarHBondContact O-CB 3.4Å; S103-M107 PolarHBondContact O-N 2.68Å; L104-M107 HydrophobicContact CD2-CE 3.87Å; L104-M107 PolarHBondContact O-N 3.47Å; M107-R110 PolarHBondContact O-N 3.25Å; M107-L111 HydrophobicContact CG-CD1 4.15Å; M107-L111 WeakPolarHBondContact O-CB 3.41Å; M107-L111 VanDerWaalsContact O-CG 3.29Å; M107-L111 WeakPolarHBondContact O-CG 3.22Å; M107-L111 PolarHBondContact O-N 3.42Å; M107-L140 HydrophobicContact CE-CB 4.14Å; M107-L140 HydrophobicContact CE-CD1 3.71Å; M107-L140 HydrophobicContact CE-CG 4.49Å; M107-L140 HydrophobicContact SD-CB 4.17Å; M107-L140 HydrophobicContact SD-CD1 3.97Å; M107-L140 HydrophobicContact SD-CG 4.44Å
108	E	48.1	Very low	45	Very low	57 Å²	57	80.6 Å²	80.6	27%	0.266	39%	0.388	S	S	.	.	H	α-helix	trans	-59.3	-43.3	171.4	-172	-162.6	161.7	0	0	111.2	L104 L111 K112 F123	L104-E108 VanDerWaalsContact O-CB 3.22Å; L104-E108 WeakPolarHBondContact O-CB 3.32Å; L104-E108 PolarHBondContact O-N 3.48Å; E108-L111 PolarHBondContact O-N 2.71Å; E108-K112 HydrophobicContact CG-CD 4.29Å; E108-K112 VanDerWaalsContact O-CB 3.28Å; E108-K112 WeakPolarHBondContact O-CB 3.4Å; E108-K112 VanDerWaalsContact O-CG 3.29Å; E108-K112 WeakPolarHBondContact O-CG 3.48Å; E108-K112 PolarHBondContact O-N 3.2Å; E108-K112 WeakPolarHBondContact OE1-CE 3.34Å; E108-K112 IonicContact OE1-NZ 2.62Å; E108-K112 PolarHBondContact OE1-NZ 3.19Å; E108-F123 HydrophobicContact CG-CE1 4.32Å; E108-F123 HydrophobicContact CG-CZ 4.31Å
109	I	54.6	Low	45.1	Very low	114 Å²	114	85.5 Å²	85.5	59%	0.585	40%	0.398	S	S	*	.	H	α-helix	trans	-64.7	-43.4	174.5	-71.6	162.9	0	0	0	111.3	K105 R106 K112 N113	K105-I109 WeakPolarHBondContact O-CB 3.22Å; K105-I109 WeakPolarHBondContact O-CD1 3.42Å; K105-I109 WeakPolarHBondContact O-CG1 3.35Å; K105-I109 PolarHBondContact O-N 3.29Å; R106-I109 PolarHBondContact O-N 3.23Å; I109-K112 PolarHBondContact O-N 3.46Å; I109-N113 WeakPolarHBondContact O-CB 3.46Å; I109-N113 PolarHBondContact O-N 3.26Å
110	R	48.5	Very low	45	Very low	155 Å²	155	92.9 Å²	92.9	59%	0.585	41%	0.413	S	S	*	.	H	α-helix	trans	-63.3	-45.1	176.2	-72.2	179.3	101.2	171.8	9.2	111.2	R106 M107 N113 I114	R106-R110 WeakPolarHBondContact O-CG 3.39Å; R106-R110 PolarHBondContact O-N 2.82Å; M107-R110 PolarHBondContact O-N 3.25Å; R110-N113 WeakPolarHBondContact O-CB 3.5Å; R110-N113 PolarHBondContact O-N 3.01Å; R110-I114 VanDerWaalsContact O-CG1 3.25Å; R110-I114 WeakPolarHBondContact O-CG1 3.24Å; R110-I114 PolarHBondContact O-N 2.79Å
111	L	49.5	Very low	44.5	Very low	22 Å²	22	94.9 Å²	94.9	12%	0.115	42%	0.424	C	S	.	.	H	α-helix	trans	-63.7	-46.6	175.6	-70.2	172.7	0	0	0	111.2	L69 L73 M107 E108 N113 I114 F115 F123	L69-L111 HydrophobicContact CD2-CD1 4.4Å; L69-L111 HydrophobicContact CD2-CD2 4.35Å; L73-L111 HydrophobicContact CD1-CD1 3.96Å; M107-L111 HydrophobicContact CG-CD1 4.15Å; M107-L111 WeakPolarHBondContact O-CB 3.41Å; M107-L111 VanDerWaalsContact O-CG 3.29Å; M107-L111 WeakPolarHBondContact O-CG 3.22Å; M107-L111 PolarHBondContact O-N 3.42Å; E108-L111 PolarHBondContact O-N 2.71Å; L111-N113 VanDerWaalsContact C-N 3.29Å; L111-N113 PolarHBondContact O-N 3.08Å; L111-I114 CarbonylContact O-C 3.51Å; L111-I114 WeakPolarHBondContact O-CB 3.41Å; L111-I114 PolarHBondContact O-N 3.41Å; L111-I114 VanDerWaalsContact O-N 3.13Å; L111-F115 HydrophobicContact CB-CD2 4.17Å; L111-F115 HydrophobicContact CB-CE2 4.07Å; L111-F115 HydrophobicContact CD2-CE2 4.12Å; L111-F115 WeakPolarHBondContact O-CD2 3.36Å; L111-F115 PolarHBondContact O-N 3.31Å; L111-F123 HydrophobicContact CB-CE2 4.02Å
112	K	48.3	Very low	44.2	Very low	90 Å²	90	96 Å²	96	39%	0.391	43%	0.427	S	S	.	.	H	α-helix	trans	-57.7	-39.2	174.1	-79	177.7	179.1	175.4	0	112.5	E108 I109 S116 F123	E108-K112 HydrophobicContact CG-CD 4.29Å; E108-K112 VanDerWaalsContact O-CB 3.28Å; E108-K112 WeakPolarHBondContact O-CB 3.4Å; E108-K112 VanDerWaalsContact O-CG 3.29Å; E108-K112 WeakPolarHBondContact O-CG 3.48Å; E108-K112 PolarHBondContact O-N 3.2Å; E108-K112 WeakPolarHBondContact OE1-CE 3.34Å; E108-K112 IonicContact OE1-NZ 2.62Å; E108-K112 PolarHBondContact OE1-NZ 3.19Å; I109-K112 PolarHBondContact O-N 3.46Å; K112-S116 WeakPolarHBondContact O-CB 3.45Å; K112-S116 PolarHBondContact O-N 2.92Å; K112-S116 PolarHBondContact O-OG 3.42Å; K112-F123 HydrophobicContact CD-CD1 4.18Å; K112-F123 HydrophobicContact CD-CE1 4.14Å; K112-F123 VanDerWaalsContact CE-CD1 3.42Å; K112-F123 HydrophobicContact CG-CD1 3.66Å; K112-F123 HydrophobicContact CG-CD2 4.01Å; K112-F123 HydrophobicContact CG-CE1 3.67Å; K112-F123 HydrophobicContact CG-CE2 4.02Å; K112-F123 HydrophobicContact CG-CG 3.82Å; K112-F123 HydrophobicContact CG-CZ 3.85Å
113	N	48.8	Very low	43.7	Very low	79 Å²	79	90.6 Å²	90.6	42%	0.422	40%	0.403	S	S	.	.	H	α-helix	trans	-63.4	-50	173.5	-168.5	-32.9	0	0	0	110.6	I109 R110 L111 F115 S116 R117	I109-N113 WeakPolarHBondContact O-CB 3.46Å; I109-N113 PolarHBondContact O-N 3.26Å; R110-N113 WeakPolarHBondContact O-CB 3.5Å; R110-N113 PolarHBondContact O-N 3.01Å; L111-N113 VanDerWaalsContact C-N 3.29Å; L111-N113 PolarHBondContact O-N 3.08Å; N113-F115 PolarHBondContact O-N 3.03Å; N113-S116 PolarHBondContact O-N 3.14Å; N113-S116 PolarHBondContact O-OG 3.47Å; N113-R117 WeakPolarHBondContact O-CG 3.36Å; N113-R117 PolarHBondContact O-N 2.93Å; N113-R117 PolarHBondContact OD1-NE 3.41Å; N113-R117 PolarHBondContact OD1-NH2 3.02Å
114	I	45.5	Very low	43.5	Very low	13 Å²	13	95.1 Å²	95.1	7%	0.067	43%	0.43	C	S	.	.	H	α-helix	trans	-54	-51.3	175.3	-70.6	167.5	0	0	0	111.3	E57 A60 R110 L111 R117 F118	E57-I114 HydrophobicContact CG-CB 4.47Å; E57-I114 HydrophobicContact CG-CD1 3.81Å; E57-I114 HydrophobicContact CG-CG1 3.75Å; E57-I114 HydrophobicContact CG-CG2 3.94Å; A60-I114 HydrophobicContact CB-CG2 4.16Å; R110-I114 VanDerWaalsContact O-CG1 3.25Å; R110-I114 WeakPolarHBondContact O-CG1 3.24Å; R110-I114 PolarHBondContact O-N 2.79Å; L111-I114 CarbonylContact O-C 3.51Å; L111-I114 WeakPolarHBondContact O-CB 3.41Å; L111-I114 PolarHBondContact O-N 3.41Å; L111-I114 VanDerWaalsContact O-N 3.13Å; I114-R117 WeakPolarHBondContact O-CB 3.47Å; I114-R117 PolarHBondContact O-N 2.97Å; I114-F118 HydrophobicContact CG2-CD2 4.32Å; I114-F118 HydrophobicContact CG2-CE2 3.71Å; I114-F118 WeakPolarHBondContact O-CD2 3.35Å; I114-F118 WeakPolarHBondContact O-CE2 3.47Å
115	F	43	Very low	42.9	Very low	11 Å²	11	96 Å²	96	5%	0.048	44%	0.442	C	S	.	.	H	α-helix	trans	-70.4	-31.7	179.9	-68.1	-61.7	0	0	0	113.4	A60 L69 L111 N113 R117 F118 L121 F123	A60-F115 HydrophobicContact CB-CE1 3.84Å; A60-F115 HydrophobicContact CB-CZ 3.82Å; L69-F115 HydrophobicContact CD1-CZ 4.01Å; L69-F115 HydrophobicContact CD2-CE2 3.65Å; L69-F115 HydrophobicContact CD2-CZ 3.57Å; L69-F115 HydrophobicContact CG-CZ 4.31Å; L111-F115 HydrophobicContact CB-CD2 4.17Å; L111-F115 HydrophobicContact CB-CE2 4.07Å; L111-F115 HydrophobicContact CD2-CE2 4.12Å; L111-F115 WeakPolarHBondContact O-CD2 3.36Å; L111-F115 PolarHBondContact O-N 3.31Å; N113-F115 PolarHBondContact O-N 3.03Å; F115-R117 PolarHBondContact O-N 3.35Å; F115-F118 HydrophobicContact CD1-CD2 4.42Å; F115-F118 CarbonylContact O-C 3.49Å; F115-F118 WeakPolarHBondContact O-CA 3.41Å; F115-F118 PolarHBondContact O-N 2.86Å; F115-F118 VanDerWaalsContact O-O 3.05Å; F115-L121 HydrophobicContact CD1-CB 3.57Å; F115-L121 HydrophobicContact CD1-CD1 3.84Å; F115-L121 HydrophobicContact CD1-CD2 4.42Å; F115-L121 HydrophobicContact CD1-CG 4.14Å; F115-L121 HydrophobicContact CE1-CB 4.25Å; F115-L121 HydrophobicContact CE1-CD1 3.92Å; F115-L121 HydrophobicContact CE1-CD2 4.26Å; F115-L121 HydrophobicContact CE1-CG 4.37Å; F115-L121 HydrophobicContact CG-CB 4.45Å; F115-F123 HydrophobicContact CB-CD2 4.16Å; F115-F123 AromaticContact CD2-CD2 3.43Å; F115-F123 HydrophobicContact CD2-CD2 3.43Å; F115-F123 VanDerWaalsContact CD2-CD2 3.43Å; F115-F123 AromaticContact CD2-CE2 3.59Å; F115-F123 HydrophobicContact CD2-CE2 3.59Å; F115-F123 HydrophobicContact CE2-CD2 4.17Å; F115-F123 AromaticContact CE2-CE2 3.99Å; F115-F123 HydrophobicContact CE2-CE2 3.99Å; F115-F123 HydrophobicContact CG-CD2 4.07Å
116	S	45.6	Very low	42.4	Very low	94 Å²	94	91 Å²	91	66%	0.657	42%	0.423	S	S	*	.	H	α-helix	trans	-64.3	-21.6	173.1	75	0	0	0	0	113.4	K112 N113 F118	K112-S116 WeakPolarHBondContact O-CB 3.45Å; K112-S116 PolarHBondContact O-N 2.92Å; K112-S116 PolarHBondContact O-OG 3.42Å; N113-S116 PolarHBondContact O-N 3.14Å; N113-S116 PolarHBondContact O-OG 3.47Å; S116-F118 VanDerWaalsContact C-N 3.31Å
117	R	41.3	Very low	41.8	Very low	156 Å²	156	93 Å²	93	59%	0.589	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-15.4	171.7	-60.3	159.9	-178.2	-152.6	-16.8	112.5	E57 N113 I114 F115	E57-R117 IonicContact OE1-NH1 2.92Å; E57-R117 PolarHBondContact OE1-NH1 2.89Å; N113-R117 WeakPolarHBondContact O-CG 3.36Å; N113-R117 PolarHBondContact O-N 2.93Å; N113-R117 PolarHBondContact OD1-NE 3.41Å; N113-R117 PolarHBondContact OD1-NH2 3.02Å; I114-R117 WeakPolarHBondContact O-CB 3.47Å; I114-R117 PolarHBondContact O-N 2.97Å; F115-R117 PolarHBondContact O-N 3.35Å
118	F	37.4	Very low	41.6	Very low	41 Å²	41	94 Å²	94	18%	0.18	44%	0.44	C	S	.	.			trans	-108.6	101.2	179.2	-58.9	-52.7	0	0	0	110.7	R61 I114 F115 S116 Y120 L121	R61-F118 HydrophobicContact CG-CE1 3.81Å; R61-F118 HydrophobicContact CG-CE2 4.01Å; R61-F118 HydrophobicContact CG-CZ 3.45Å; R61-F118 VanDerWaalsContact CG-CZ 3.45Å; R61-F118 VanDerWaalsContact NE-CZ 3.27Å; I114-F118 HydrophobicContact CG2-CD2 4.32Å; I114-F118 HydrophobicContact CG2-CE2 3.71Å; I114-F118 WeakPolarHBondContact O-CD2 3.35Å; I114-F118 WeakPolarHBondContact O-CE2 3.47Å; F115-F118 HydrophobicContact CD1-CD2 4.42Å; F115-F118 CarbonylContact O-C 3.49Å; F115-F118 WeakPolarHBondContact O-CA 3.41Å; F115-F118 PolarHBondContact O-N 2.86Å; F115-F118 VanDerWaalsContact O-O 3.05Å; S116-F118 VanDerWaalsContact C-N 3.31Å; F118-Y120 PolarHBondContact O-N 3.44Å; F118-L121 HydrophobicContact CB-CB 4.21Å; F118-L121 HydrophobicContact CB-CD1 3.87Å; F118-L121 HydrophobicContact CB-CG 4.47Å; F118-L121 HydrophobicContact CD2-CD1 3.94Å; F118-L121 HydrophobicContact CG-CD1 4.12Å; F118-L121 PolarHBondContact O-N 3.28Å; F118-L121 VanDerWaalsContact O-N 3.08Å
119	R	38	Very low	41.2	Very low	238 Å²	238	95.2 Å²	95.2	90%	0.898	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-11.3	179	-85.6	-176.6	168.7	175.4	-3.8	116.3
120	Y	31.4	Very low	40.7	Very low	218 Å²	218	92.7 Å²	92.7	86%	0.855	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.1	-3	-174.5	-55.8	-71.2	0	0	0	114.3	F118	F118-Y120 PolarHBondContact O-N 3.44Å
121	L	33.9	Very low	40.2	Very low	51 Å²	51	88.3 Å²	88.3	27%	0.267	43%	0.433	S	S	.	.			trans	-112.1	86.7	-177.8	-77.8	155.7	0	0	0	110.8	F115 F118 F123	F115-L121 HydrophobicContact CD1-CB 3.57Å; F115-L121 HydrophobicContact CD1-CD1 3.84Å; F115-L121 HydrophobicContact CD1-CD2 4.42Å; F115-L121 HydrophobicContact CD1-CG 4.14Å; F115-L121 HydrophobicContact CE1-CB 4.25Å; F115-L121 HydrophobicContact CE1-CD1 3.92Å; F115-L121 HydrophobicContact CE1-CD2 4.26Å; F115-L121 HydrophobicContact CE1-CG 4.37Å; F115-L121 HydrophobicContact CG-CB 4.45Å; F118-L121 HydrophobicContact CB-CB 4.21Å; F118-L121 HydrophobicContact CB-CD1 3.87Å; F118-L121 HydrophobicContact CB-CG 4.47Å; F118-L121 HydrophobicContact CD2-CD1 3.94Å; F118-L121 HydrophobicContact CG-CD1 4.12Å; F118-L121 PolarHBondContact O-N 3.28Å; F118-L121 VanDerWaalsContact O-N 3.08Å; L121-F123 PolarHBondContact O-N 3.4Å
122	N	33.7	Very low	39.7	Very low	105 Å²	105	91.8 Å²	91.8	56%	0.561	45%	0.451	S	S	*	.			trans	-71.7	112.5	178.2	-176.9	3.2	0	0	0	111.1	T124 A125	N122-T124 PolarHBondContact ND2-OG1 3.26Å; N122-T124 PolarHBondContact O-N 2.89Å; N122-T124 VanDerWaalsContact O-N 3.11Å; N122-T124 PolarHBondContact OD1-N 3.05Å; N122-T124 PolarHBondContact OD1-OG1 2.93Å; N122-T124 VanDerWaalsContact OD1-OG1 3.14Å; N122-A125 WeakPolarHBondContact O-CB 3.36Å; N122-A125 PolarHBondContact O-N 3.47Å
123	F	35.6	Very low	39.2	Very low	47 Å²	47	87.8 Å²	87.8	21%	0.206	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-62.4	-18.5	-179.7	-157.3	-94.1	0	0	0	113.8	E108 L111 K112 F115 L121 A125 V126	E108-F123 HydrophobicContact CG-CE1 4.32Å; E108-F123 HydrophobicContact CG-CZ 4.31Å; L111-F123 HydrophobicContact CB-CE2 4.02Å; K112-F123 HydrophobicContact CD-CD1 4.18Å; K112-F123 HydrophobicContact CD-CE1 4.14Å; K112-F123 VanDerWaalsContact CE-CD1 3.42Å; K112-F123 HydrophobicContact CG-CD1 3.66Å; K112-F123 HydrophobicContact CG-CD2 4.01Å; K112-F123 HydrophobicContact CG-CE1 3.67Å; K112-F123 HydrophobicContact CG-CE2 4.02Å; K112-F123 HydrophobicContact CG-CG 3.82Å; K112-F123 HydrophobicContact CG-CZ 3.85Å; F115-F123 HydrophobicContact CB-CD2 4.16Å; F115-F123 AromaticContact CD2-CD2 3.43Å; F115-F123 HydrophobicContact CD2-CD2 3.43Å; F115-F123 VanDerWaalsContact CD2-CD2 3.43Å; F115-F123 AromaticContact CD2-CE2 3.59Å; F115-F123 HydrophobicContact CD2-CE2 3.59Å; F115-F123 HydrophobicContact CE2-CD2 4.17Å; F115-F123 AromaticContact CE2-CE2 3.99Å; F115-F123 HydrophobicContact CE2-CE2 3.99Å; F115-F123 HydrophobicContact CG-CD2 4.07Å; L121-F123 PolarHBondContact O-N 3.4Å; F123-A125 PolarHBondContact O-N 2.99Å; F123-V126 HydrophobicContact CD2-CG2 3.89Å; F123-V126 HydrophobicContact CE2-CG2 4.04Å; F123-V126 HydrophobicContact CG-CG2 4.26Å; F123-V126 VanDerWaalsContact O-CB 3.31Å; F123-V126 WeakPolarHBondContact O-CB 3.37Å; F123-V126 PolarHBondContact O-N 3.27Å; F123-V126 VanDerWaalsContact O-N 3.09Å
124	T	36.3	Very low	38.7	Very low	114 Å²	114	85.7 Å²	85.7	70%	0.699	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-72.9	-13.3	174	73.4	0	0	0	0	113.3	N122	N122-T124 PolarHBondContact ND2-OG1 3.26Å; N122-T124 PolarHBondContact O-N 2.89Å; N122-T124 VanDerWaalsContact O-N 3.11Å; N122-T124 PolarHBondContact OD1-N 3.05Å; N122-T124 PolarHBondContact OD1-OG1 2.93Å; N122-T124 VanDerWaalsContact OD1-OG1 3.14Å
125	A	34.3	Very low	38.4	Very low	49 Å²	49	87.1 Å²	87.1	41%	0.405	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-82.3	-18.6	168.8	0	0	0	0	0	112.1	P66 N122 F123 R127	P66-A125 WeakPolarHBondContact CB-O 3.25Å; P66-A125 HydrophobicContact CG-CB 3.84Å; N122-A125 WeakPolarHBondContact O-CB 3.36Å; N122-A125 PolarHBondContact O-N 3.47Å; F123-A125 PolarHBondContact O-N 2.99Å; A125-R127 VanDerWaalsContact C-N 3.26Å; A125-R127 PolarHBondContact O-N 2.93Å
126	V	38.7	Very low	37.9	Very low	29 Å²	29	86.6 Å²	86.6	18%	0.176	43%	0.434	C	S	.	.			trans	-69.1	93.9	159.5	-167.4	0	0	0	0	106.2	P66 F123 P128	P66-V126 HydrophobicContact CB-CB 4.26Å; P66-V126 HydrophobicContact CB-CG2 3.89Å; P66-V126 HydrophobicContact CG-CG2 4.47Å; F123-V126 HydrophobicContact CD2-CG2 3.89Å; F123-V126 HydrophobicContact CE2-CG2 4.04Å; F123-V126 HydrophobicContact CG-CG2 4.26Å; F123-V126 VanDerWaalsContact O-CB 3.31Å; F123-V126 WeakPolarHBondContact O-CB 3.37Å; F123-V126 PolarHBondContact O-N 3.27Å; F123-V126 VanDerWaalsContact O-N 3.09Å; V126-P128 WeakPolarHBondContact O-CD 3.36Å
127	R	37.6	Very low	37.3	Very low	232 Å²	232	82.3 Å²	82.3	88%	0.875	40%	0.404	S	S	*	.			trans	-104.1	74.6	-179.7	-167.9	-173.7	-166.3	-174	5.9	109.8	A125	A125-R127 VanDerWaalsContact C-N 3.26Å; A125-R127 PolarHBondContact O-N 2.93Å
128	P	43	Very low	36.9	Very low	59 Å²	59	76.8 Å²	76.8	38%	0.383	40%	0.396	S	S	.	.			trans	-73	166.9	179.2	38.3	-40.3	0	0	0	109.6	V126 L130	V126-P128 WeakPolarHBondContact O-CD 3.36Å; P128-L130 HydrophobicContact CB-CD2 3.73Å; P128-L130 HydrophobicContact CB-CG 3.9Å; P128-L130 HydrophobicContact CG-CD2 4.22Å; P128-L130 HydrophobicContact CG-CG 4.1Å
129	P	39.9	Very low	36.7	Very low	83 Å²	83	75 Å²	75	54%	0.539	39%	0.388	S	S	.	.				-107.9	134	102.4	31.4	-36.5	0	0	0	110.8	S131	P129-S131 VanDerWaalsContact CB-OG 3.3Å; P129-S131 WeakPolarHBondContact CB-OG 3.34Å; P129-S131 WeakPolarHBondContact CG-OG 3.36Å; P129-S131 PolarHBondContact O-N 3.33Å; P129-S131 PolarHBondContact O-OG 2.71Å
130	L	43.8	Very low	36.4	Very low	61 Å²	61	65.3 Å²	65.3	32%	0.319	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-73.1	4.4	179.6	-60.3	174.2	0	0	0	111.8	P128 D132 L133	P128-L130 HydrophobicContact CB-CD2 3.73Å; P128-L130 HydrophobicContact CB-CG 3.9Å; P128-L130 HydrophobicContact CG-CD2 4.22Å; P128-L130 HydrophobicContact CG-CG 4.1Å; L130-D132 PolarHBondContact O-N 2.91Å; L130-L133 HydrophobicContact CD2-CD1 3.73Å; L130-L133 PolarHBondContact O-N 2.82Å
131	S	38.4	Very low	36.4	Very low	62 Å²	62	58.5 Å²	58.5	43%	0.434	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-51.6	-39.8	167.2	46.8	0	0	0	0	112.3	P129 L133 S134	P129-S131 VanDerWaalsContact CB-OG 3.3Å; P129-S131 WeakPolarHBondContact CB-OG 3.34Å; P129-S131 WeakPolarHBondContact CG-OG 3.36Å; P129-S131 PolarHBondContact O-N 3.33Å; P129-S131 PolarHBondContact O-OG 2.71Å; S131-L133 PolarHBondContact O-N 2.89Å; S131-S134 WeakPolarHBondContact O-CB 3.42Å; S131-S134 PolarHBondContact O-N 2.9Å; S131-S134 PolarHBondContact O-OG 3.3Å
132	D	39.9	Very low	36.3	Very low	95 Å²	95	59.4 Å²	59.4	51%	0.508	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-74.5	-20.5	-171	-63.8	20.9	0	0	0	111.2	L74 L130 P135	L74-D132 WeakPolarHBondContact CD2-O 3.21Å; L130-D132 PolarHBondContact O-N 2.91Å; D132-P135 WeakPolarHBondContact O-CD 3.32Å
133	L	38.3	Very low	36.4	Very low	6 Å²	6	58.2 Å²	58.2	3%	0.031	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-82.4	-6.2	171.1	-79.9	158.5	0	0	0	113.5	L73 L74 L130 S131 P135 C136 T137	L73-L133 HydrophobicContact CB-CD2 4.3Å; L74-L133 HydrophobicContact CD2-CB 4.47Å; L74-L133 HydrophobicContact CD2-CD2 3.66Å; L74-L133 HydrophobicContact CD2-CG 3.83Å; L74-L133 HydrophobicContact CG-CD2 3.78Å; L74-L133 HydrophobicContact CG-CG 4.11Å; L130-L133 HydrophobicContact CD2-CD1 3.73Å; L130-L133 PolarHBondContact O-N 2.82Å; S131-L133 PolarHBondContact O-N 2.89Å; L133-P135 VanDerWaalsContact C-N 3.28Å; L133-P135 WeakPolarHBondContact O-CD 3.38Å; L133-P135 VanDerWaalsContact O-N 3.12Å; L133-C136 HydrophobicContact CD2-CB 4.21Å; L133-C136 WeakPolarHBondContact O-CA 3.4Å; L133-C136 WeakPolarHBondContact O-CB 3.45Å; L133-C136 PolarHBondContact O-N 3.45Å; L133-T137 PolarHBondContact O-N 2.94Å
134	S	37.3	Very low	36	Very low	35 Å²	35	65.1 Å²	65.1	25%	0.245	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-21.1	-178.6	62.1	0	0	0	0	117.2	S131 T137	S131-S134 WeakPolarHBondContact O-CB 3.42Å; S131-S134 PolarHBondContact O-N 2.9Å; S131-S134 PolarHBondContact O-OG 3.3Å; S134-T137 PolarHBondContact O-OG1 3.03Å
135	P	38.5	Very low	35.9	Very low	44 Å²	44	63.6 Å²	63.6	29%	0.286	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-32	167.4	-18.3	33.2	0	0	0	112.8	R96 D132 L133	R96-P135 PolarHBondContact NH1-O 3.15Å; R96-P135 VanDerWaalsContact NH1-O 3.08Å; D132-P135 WeakPolarHBondContact O-CD 3.32Å; L133-P135 VanDerWaalsContact C-N 3.28Å; L133-P135 WeakPolarHBondContact O-CD 3.38Å; L133-P135 VanDerWaalsContact O-N 3.12Å
136	C	32.3	Very low	35.7	Very low	0 Å²	0	65 Å²	65	0%	0	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-14.8	-163.7	-65.4	0	0	0	0	114.8	L133 G138 V139 L140	L133-C136 HydrophobicContact CD2-CB 4.21Å; L133-C136 WeakPolarHBondContact O-CA 3.4Å; L133-C136 WeakPolarHBondContact O-CB 3.45Å; L133-C136 PolarHBondContact O-N 3.45Å; C136-G138 PolarHBondContact O-N 3.34Å; C136-V139 PolarHBondContact O-N 3.23Å; C136-L140 HydrophobicContact CB-CD1 4.43Å
137	T	33.9	Very low	35.4	Very low	3 Å²	3	67.8 Å²	67.8	2%	0.018	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-60.4	-45.2	-166.4	40.9	0	0	0	0	114.1	D100 L104 L133 S134 V139 L140	D100-T137 HydrophobicContact CB-CG2 3.84Å; D100-T137 WeakPolarHBondContact OD1-CB 3.12Å; D100-T137 PolarHBondContact OD1-OG1 2.93Å; D100-T137 VanDerWaalsContact OD1-OG1 3.12Å; D100-T137 VanDerWaalsContact OD2-CB 3.3Å; D100-T137 WeakPolarHBondContact OD2-CB 3.12Å; D100-T137 PolarHBondContact OD2-OG1 2.9Å; L104-T137 HydrophobicContact CD1-CG2 3.94Å; L104-T137 HydrophobicContact CD2-CG2 3.94Å; L104-T137 HydrophobicContact CG-CG2 3.94Å; L133-T137 PolarHBondContact O-N 2.94Å; S134-T137 PolarHBondContact O-OG1 3.03Å; T137-V139 PolarHBondContact O-N 3.39Å; T137-L140 PolarHBondContact O-N 3.28Å
138	G	32.4	Very low	35.2	Very low	41 Å²	41	63.5 Å²	63.5	42%	0.423	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-60.2	-19.3	-178.6	0	0	0	0	0	114.9	C136	C136-G138 PolarHBondContact O-N 3.34Å
139	V	33.3	Very low	34.8	Very low	3 Å²	3	63.3 Å²	63.3	2%	0.018	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-112	5.5	-172.6	-131.7	0	0	0	0	114	R80 E81 F84 F85 C136 T137 I143	R80-V139 HydrophobicContact CB-CB 3.82Å; R80-V139 HydrophobicContact CB-CG1 3.51Å; R80-V139 WeakPolarHBondContact CD-O 3.39Å; R80-V139 PolarHBondContact NH1-O 2.93Å; E81-V139 HydrophobicContact CB-CG2 3.94Å; E81-V139 HydrophobicContact CG-CG2 4.41Å; F84-V139 HydrophobicContact CB-CG1 4.43Å; F84-V139 HydrophobicContact CD2-CG1 4.1Å; F85-V139 HydrophobicContact CD2-CG1 4.41Å; F85-V139 HydrophobicContact CD2-CG2 4.35Å; F85-V139 HydrophobicContact CE2-CG1 4Å; F85-V139 HydrophobicContact CE2-CG2 4.25Å; C136-V139 PolarHBondContact O-N 3.23Å; T137-V139 PolarHBondContact O-N 3.39Å; V139-I143 HydrophobicContact CG1-CD1 4.25Å
140	L	31.1	Very low	34.4	Very low	34 Å²	34	63.2 Å²	63.2	18%	0.178	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-11.2	169.8	-68.4	165.4	0	0	0	112	M107 C136 T137	M107-L140 HydrophobicContact CE-CB 4.14Å; M107-L140 HydrophobicContact CE-CD1 3.71Å; M107-L140 HydrophobicContact CE-CG 4.49Å; M107-L140 HydrophobicContact SD-CB 4.17Å; M107-L140 HydrophobicContact SD-CD1 3.97Å; M107-L140 HydrophobicContact SD-CG 4.44Å; C136-L140 HydrophobicContact CB-CD1 4.43Å; T137-L140 PolarHBondContact O-N 3.28Å
141	N	32.2	Very low	33.9	Very low	75 Å²	75	67.8 Å²	67.8	40%	0.401	39%	0.387	S	S	.	.	S	Bend	trans	-60.3	135.8	156.1	-65.4	-31.5	0	0	0	109.2	S103 I143	S103-N141 WeakPolarHBondContact CB-OD1 3.33Å; S103-N141 PolarHBondContact OG-OD1 2.59Å; N141-I143 PolarHBondContact O-N 2.85Å
142	G	31.5	Very low	33.7	Very low	71 Å²	71	72 Å²	72	73%	0.732	40%	0.399	S	S	*	.			trans	-66.1	123.2	176.6	0	0	0	0	0	110.3	E144	G142-E144 PolarHBondContact O-N 3.3Å
143	I	35.4	Very low	33.5	Very low	79 Å²	79	75 Å²	75	41%	0.405	41%	0.408	S	S	.	.			trans	-86.2	95	176.8	-46.6	178.6	0	0	0	107.8	F84 V139 N141 I145	F84-I143 HydrophobicContact CB-CD1 4.21Å; F84-I143 HydrophobicContact CD1-CD1 3.8Å; F84-I143 HydrophobicContact CD2-CD1 3.66Å; F84-I143 HydrophobicContact CE1-CD1 4.04Å; F84-I143 HydrophobicContact CE2-CD1 3.91Å; F84-I143 HydrophobicContact CG-CD1 3.61Å; F84-I143 HydrophobicContact CZ-CD1 4.1Å; V139-I143 HydrophobicContact CG1-CD1 4.25Å; N141-I143 PolarHBondContact O-N 2.85Å; I143-I145 VanDerWaalsContact C-N 3.35Å; I143-I145 HydrophobicContact CB-CG1 4.34Å; I143-I145 HydrophobicContact CG2-CD1 4.32Å; I143-I145 HydrophobicContact CG2-CG1 3.52Å; I143-I145 PolarHBondContact O-N 3.44Å; I143-I145 VanDerWaalsContact O-N 3.08Å
144	E	28.2	Very low	33.2	Very low	193 Å²	193	80.5 Å²	80.5	90%	0.902	44%	0.435	S	S	*	.			trans	-68.6	97.9	159	-71.4	177.6	161.5	0	0	107.3	G142 D146	G142-E144 PolarHBondContact O-N 3.3Å; E144-D146 PolarHBondContact O-N 3.08Å
145	I	33.4	Very low	32.9	Very low	82 Å²	82	83.4 Å²	83.4	42%	0.421	46%	0.455	S	S	.	.			trans	-81.8	100.7	172.7	-59.1	-179.8	0	0	0	107.2	F84 I143 S147 F150	F84-I145 HydrophobicContact CE1-CD1 4.15Å; I143-I145 VanDerWaalsContact C-N 3.35Å; I143-I145 HydrophobicContact CB-CG1 4.34Å; I143-I145 HydrophobicContact CG2-CD1 4.32Å; I143-I145 HydrophobicContact CG2-CG1 3.52Å; I143-I145 PolarHBondContact O-N 3.44Å; I143-I145 VanDerWaalsContact O-N 3.08Å; I145-S147 PolarHBondContact O-N 3.23Å; I145-F150 HydrophobicContact CG2-CB 3.75Å; I145-F150 HydrophobicContact CG2-CD2 4.06Å; I145-F150 HydrophobicContact CG2-CG 4.24Å
146	D	31.7	Very low	32.5	Very low	77 Å²	77	84.9 Å²	84.9	41%	0.412	47%	0.471	S	S	.	.			trans	-54.9	132.9	162.5	156.9	46.7	0	0	0	110.2	E144 E148 S149 F150	E144-D146 PolarHBondContact O-N 3.08Å; D146-E148 VanDerWaalsContact C-N 3.32Å; D146-E148 PolarHBondContact O-N 3.3Å; D146-E148 PolarHBondContact OD1-N 3.01Å; D146-S149 WeakPolarHBondContact O-CB 3.46Å; D146-S149 PolarHBondContact O-N 2.93Å; D146-S149 WeakPolarHBondContact OD2-CB 3.05Å; D146-S149 PolarHBondContact OD2-N 3.44Å; D146-S149 PolarHBondContact OD2-OG 3.09Å; D146-F150 PolarHBondContact O-N 3.01Å
147	S	30.8	Very low	32.3	Very low	89 Å²	89	88 Å²	88	62%	0.622	50%	0.496	S	S	*	.	H	α-helix	trans	-66.7	-28.1	-176.5	68.5	0	0	0	0	113.9	I145 K151	I145-S147 PolarHBondContact O-N 3.23Å; S147-K151 PolarHBondContact O-N 2.96Å
148	E	33.7	Very low	32	Very low	141 Å²	141	92.8 Å²	92.8	66%	0.659	53%	0.528	S	S	*	.	H	α-helix	trans	-76.4	-45.6	175	-56.9	-151.6	136.8	0	0	110.7	D146 F150 K151 H152	D146-E148 VanDerWaalsContact C-N 3.32Å; D146-E148 PolarHBondContact O-N 3.3Å; D146-E148 PolarHBondContact OD1-N 3.01Å; E148-F150 PolarHBondContact O-N 2.93Å; E148-K151 PolarHBondContact O-N 3.29Å; E148-K151 VanDerWaalsContact O-N 3.12Å; E148-H152 PolarHBondContact O-N 2.99Å
149	S	34.1	Very low	31.8	Very low	56 Å²	56	99.8 Å²	99.8	39%	0.392	56%	0.555	S	S	.	*	H	α-helix	trans	-55.4	-32.2	171.4	-67.3	0	0	0	0	113.3	D146 K153	D146-S149 WeakPolarHBondContact O-CB 3.46Å; D146-S149 PolarHBondContact O-N 2.93Å; D146-S149 WeakPolarHBondContact OD2-CB 3.05Å; D146-S149 PolarHBondContact OD2-N 3.44Å; D146-S149 PolarHBondContact OD2-OG 3.09Å; S149-K153 WeakPolarHBondContact O-CD 3.17Å; S149-K153 WeakPolarHBondContact O-CG 3.38Å; S149-K153 PolarHBondContact O-N 2.83Å
150	F	33.2	Very low	31.6	Very low	80 Å²	80	107.9 Å²	107.9	35%	0.351	59%	0.592	S	S	.	*	H	α-helix	trans	-72	-50.5	172.7	-172.3	-106.7	0	0	0	112.1	I145 D146 E148 H152 K153 M154	I145-F150 HydrophobicContact CG2-CB 3.75Å; I145-F150 HydrophobicContact CG2-CD2 4.06Å; I145-F150 HydrophobicContact CG2-CG 4.24Å; D146-F150 PolarHBondContact O-N 3.01Å; E148-F150 PolarHBondContact O-N 2.93Å; F150-H152 VanDerWaalsContact C-N 3.34Å; F150-H152 PolarHBondContact O-N 3.27Å; F150-K153 PolarHBondContact O-N 2.87Å; F150-M154 HydrophobicContact CD1-CG 4.14Å; F150-M154 HydrophobicContact CD2-CG 4.3Å; F150-M154 HydrophobicContact CE1-CG 3.77Å; F150-M154 HydrophobicContact CE2-CG 3.94Å; F150-M154 HydrophobicContact CE2-SD 4.22Å; F150-M154 HydrophobicContact CG-CG 4.4Å; F150-M154 HydrophobicContact CZ-CE 4.35Å; F150-M154 HydrophobicContact CZ-CG 3.66Å; F150-M154 HydrophobicContact CZ-SD 3.99Å; F150-M154 WeakPolarHBondContact O-CG 3.24Å; F150-M154 PolarHBondContact O-N 3.48Å
151	K	33.2	Very low	31.5	Very low	158 Å²	158	111.2 Å²	111.2	69%	0.687	62%	0.619	S	S	*	*	H	α-helix	trans	-53.8	-49.7	176.9	-86.1	179.3	174.1	174.9	0	111.7	S147 E148 K153 M154 S155	S147-K151 PolarHBondContact O-N 2.96Å; E148-K151 PolarHBondContact O-N 3.29Å; E148-K151 VanDerWaalsContact O-N 3.12Å; K151-K153 VanDerWaalsContact C-N 3.29Å; K151-K153 PolarHBondContact O-N 2.89Å; K151-M154 PolarHBondContact O-N 2.94Å; K151-S155 PolarHBondContact O-N 2.81Å; K151-S155 PolarHBondContact O-OG 3.17Å; K151-S155 VanDerWaalsContact O-OG 3.08Å
152	H	33.1	Very low	31.2	Very low	149 Å²	149	112.6 Å²	112.6	69%	0.69	64%	0.64	S	S	*	*	H	α-helix	trans	-64.6	-29.4	-176.9	-112.3	-58.5	0	0	0	113.9	E148 F150 S155	E148-H152 PolarHBondContact O-N 2.99Å; F150-H152 VanDerWaalsContact C-N 3.34Å; F150-H152 PolarHBondContact O-N 3.27Å; H152-S155 PolarHBondContact O-OG 3.13Å
153	K	35.5	Very low	31.1	Very low	158 Å²	158	118.2 Å²	118.2	69%	0.687	65%	0.645	S	S	*	*	H	α-helix	trans	-82.7	-37.2	177	-72.2	174.6	-177.2	173.5	0	112.2	S149 F150 K151 A156	S149-K153 WeakPolarHBondContact O-CD 3.17Å; S149-K153 WeakPolarHBondContact O-CG 3.38Å; S149-K153 PolarHBondContact O-N 2.83Å; F150-K153 PolarHBondContact O-N 2.87Å; K151-K153 VanDerWaalsContact C-N 3.29Å; K151-K153 PolarHBondContact O-N 2.89Å; K153-A156 PolarHBondContact O-N 2.82Å
154	M	31.5	Very low	30.6	Very low	122 Å²	122	121.1 Å²	121.1	60%	0.601	67%	0.666	S	S	*	*	H	α-helix	trans	-69.6	-33.8	176.6	-70.3	-66.9	-73.1	0	0	112.6	F150 K151 A156	F150-M154 HydrophobicContact CD1-CG 4.14Å; F150-M154 HydrophobicContact CD2-CG 4.3Å; F150-M154 HydrophobicContact CE1-CG 3.77Å; F150-M154 HydrophobicContact CE2-CG 3.94Å; F150-M154 HydrophobicContact CE2-SD 4.22Å; F150-M154 HydrophobicContact CG-CG 4.4Å; F150-M154 HydrophobicContact CZ-CE 4.35Å; F150-M154 HydrophobicContact CZ-CG 3.66Å; F150-M154 HydrophobicContact CZ-SD 3.99Å; F150-M154 WeakPolarHBondContact O-CG 3.24Å; F150-M154 PolarHBondContact O-N 3.48Å; K151-M154 PolarHBondContact O-N 2.94Å; M154-A156 VanDerWaalsContact C-N 3.27Å; M154-A156 PolarHBondContact O-N 3.14Å
155	S	32	Very low	30.5	Very low	97 Å²	97	119.5 Å²	119.5	68%	0.678	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-13	176	58.8	0	0	0	0	114.5	K151 H152	K151-S155 PolarHBondContact O-N 2.81Å; K151-S155 PolarHBondContact O-OG 3.17Å; K151-S155 VanDerWaalsContact O-OG 3.08Å; H152-S155 PolarHBondContact O-OG 3.13Å
156	A	31.1	Very low	30.2	Very low	74 Å²	74	120.8 Å²	120.8	61%	0.612	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	-1.3	-178.7	0	0	0	0	0	114.1	K153 M154 P158	K153-A156 PolarHBondContact O-N 2.82Å; M154-A156 VanDerWaalsContact C-N 3.27Å; M154-A156 PolarHBondContact O-N 3.14Å; A156-P158 VanDerWaalsContact O-CD 3.31Å; A156-P158 WeakPolarHBondContact O-CD 3.47Å
157	A	26.2	Very low	30	Very low	65 Å²	65	121.7 Å²	121.7	54%	0.537	69%	0.694	S	S	.	*			trans	-77.2	117.5	-175.8	0	0	0	0	0	112	L159	A157-L159 PolarHBondContact O-N 3.5Å
158	P	29.1	Very low	29.8	Very low	104 Å²	104	124 Å²	124	68%	0.675	71%	0.705	S	S	*	*			trans	-71.4	127.4	179.2	-17.7	32.7	0	0	0	111.8	A156 Q160	A156-P158 VanDerWaalsContact O-CD 3.31Å; A156-P158 WeakPolarHBondContact O-CD 3.47Å; P158-Q160 HydrophobicContact CB-CG 4.13Å; P158-Q160 PolarHBondContact O-N 2.9Å
159	L	28.2	Very low	29.6	Very low	189 Å²	189	122.9 Å²	122.9	99%	0.99	71%	0.707	S	S	*	*			trans	-73.1	68.9	170.3	-74.6	166.7	0	0	0	110.9	A157	A157-L159 PolarHBondContact O-N 3.5Å
160	Q	28.7	Very low	29.2	Very low	172 Å²	172	127.1 Å²	127.1	80%	0.804	73%	0.731	S	S	*	*			trans	-97.5	138.8	175.1	-69.3	-168.3	5	0	0	111.8	P158	P158-Q160 HydrophobicContact CB-CG 4.13Å; P158-Q160 PolarHBondContact O-N 2.9Å
161	S	28.7	Very low	28.8	Very low	105 Å²	105	127.7 Å²	127.7	73%	0.734	74%	0.744	S	S	*	*			trans	-71.1	133	-170.4	43.2	0	0	0	0	112.8	K163	S161-K163 PolarHBondContact O-N 2.87Å
162	A	26.7	Very low	28.5	Very low	104 Å²	104	124.3 Å²	124.3	86%	0.86	74%	0.738	S	S	*	*			trans	-68.8	96.3	177.2	0	0	0	0	0	110.6
163	K	27.8	Very low	28.3	Very low	188 Å²	188	122.8 Å²	122.8	82%	0.817	74%	0.741	S	S	*	*			trans	-70	134.1	168.5	-74	-172.6	177.6	-178.4	0	109.8	S161	S161-K163 PolarHBondContact O-N 2.87Å
164	V	25.8	Very low	28.4	Very low	140 Å²	140	123.1 Å²	123.1	85%	0.848	74%	0.743	S	S	*	*			trans	-61.2	132.9	-174.4	-179.5	0	0	0	0	111.3
165	L	25.6	Very low	28.4	Very low	159 Å²	159	122.4 Å²	122.4	83%	0.832	75%	0.745	S	S	*	*			trans	-117.3	130.3	164.1	-82.9	165.8	0	0	0	108.7	A167	L165-A167 PolarHBondContact O-N 3.46Å
166	P	27.7	Very low	28.6	Very low	110 Å²	110	121 Å²	121	71%	0.714	73%	0.73	S	S	*	*			trans	-73.9	124.2	-175.8	29.1	-33.9	0	0	0	111.5	T168	P166-T168 PolarHBondContact O-N 2.87Å
167	A	28.4	Very low	29	Very low	95 Å²	95	121 Å²	121	79%	0.785	72%	0.719	S	S	*	*			trans	-88	92	-177.6	0	0	0	0	0	112	L165 V169	L165-A167 PolarHBondContact O-N 3.46Å; A167-V169 PolarHBondContact O-N 3Å
168	T	25.1	Very low	29.5	Very low	139 Å²	139	118.3 Å²	118.3	85%	0.853	70%	0.698	S	S	*	*			trans	-81.1	40.2	174.3	46.4	0	0	0	0	113.7	P166	P166-T168 PolarHBondContact O-N 2.87Å
169	V	29.5	Very low	30	Very low	117 Å²	117	118.2 Å²	118.2	71%	0.709	70%	0.695	S	S	*	*	S	Bend	trans	-137.6	110	165.6	-177.6	0	0	0	0	108.3	A167 C171	A167-V169 PolarHBondContact O-N 3Å; V169-C171 PolarHBondContact O-N 3.22Å
170	T	25.2	Very low	30.8	Very low	144 Å²	144	113.6 Å²	113.6	88%	0.883	67%	0.668	S	S	*	*			trans	-76.3	69.2	178.7	40.6	0	0	0	0	111.9
171	C	26.3	Very low	31.5	Very low	92 Å²	92	107.6 Å²	107.6	62%	0.622	64%	0.642	S	S	*	*			trans	-59.1	135.2	147.7	-86.4	0	0	0	0	107.9	V169	V169-C171 PolarHBondContact O-N 3.22Å
172	P	25.7	Very low	31.9	Very low	87 Å²	87	102.6 Å²	102.6	57%	0.565	61%	0.607	S	S	*	*			trans	-58	146.9	166.6	27.3	-34	0	0	0	108.9	F174	P172-F174 HydrophobicContact CG-CE2 4.19Å; P172-F174 VanDerWaalsContact O-CD2 3.32Å; P172-F174 WeakPolarHBondContact O-CD2 3.25Å; P172-F174 PolarHBondContact O-N 2.99Å
173	P	30.5	Very low	32.8	Very low	117 Å²	117	99.5 Å²	99.5	76%	0.76	58%	0.581	S	S	*	*			trans	-63.4	106.3	175.8	26.4	-32.9	0	0	0	108.8	V175	P173-V175 PolarHBondContact O-N 2.83Å
174	F	35.7	Very low	33.6	Very low	165 Å²	165	95.8 Å²	95.8	72%	0.724	56%	0.563	S	S	*	*			trans	-69.4	86.3	168.3	-75.9	-89.4	0	0	0	107.8	P172 L176	P172-F174 HydrophobicContact CG-CE2 4.19Å; P172-F174 VanDerWaalsContact O-CD2 3.32Å; P172-F174 WeakPolarHBondContact O-CD2 3.25Å; P172-F174 PolarHBondContact O-N 2.99Å; F174-L176 VanDerWaalsContact C-N 3.33Å; F174-L176 PolarHBondContact O-N 2.95Å
175	V	33	Very low	34.4	Very low	107 Å²	107	90.3 Å²	90.3	65%	0.648	53%	0.529	S	S	*	.			trans	-66	96.5	170.3	-178.9	0	0	0	0	106.8	P173 N177	P173-V175 PolarHBondContact O-N 2.83Å; V175-N177 PolarHBondContact O-N 2.63Å; V175-N177 VanDerWaalsContact O-N 3.09Å
176	L	34.9	Very low	35.2	Very low	69 Å²	69	85.7 Å²	85.7	36%	0.361	51%	0.505	S	S	.	.			trans	-58.4	114.7	171.5	-61.4	174.8	0	0	0	107.6	F174 E180 L181	F174-L176 VanDerWaalsContact C-N 3.33Å; F174-L176 PolarHBondContact O-N 2.95Å; L176-E180 WeakPolarHBondContact CA-OE2 3.36Å; L176-E180 HydrophobicContact CB-CB 4.07Å; L176-E180 HydrophobicContact CD2-CB 3.94Å; L176-L181 HydrophobicContact CB-CB 4.16Å; L176-L181 HydrophobicContact CD1-CD1 4.31Å
177	N	40	Very low	35.9	Very low	72 Å²	72	86.5 Å²	86.5	39%	0.385	50%	0.499	S	S	.	.			trans	-65.4	164.9	171.3	71.2	68.3	0	0	0	110	V175 T179 E180 L181	V175-N177 PolarHBondContact O-N 2.63Å; V175-N177 VanDerWaalsContact O-N 3.09Å; N177-T179 PolarHBondContact O-N 3.41Å; N177-T179 WeakPolarHBondContact OD1-CA 3.46Å; N177-T179 WeakPolarHBondContact OD1-CB 3.29Å; N177-T179 PolarHBondContact OD1-N 2.78Å; N177-T179 PolarHBondContact OD1-OG1 3.03Å; N177-E180 PolarHBondContact N-OE2 3.19Å; N177-E180 WeakPolarHBondContact ND2-CG 3.28Å; N177-E180 PolarHBondContact ND2-OE2 3.22Å; N177-E180 PolarHBondContact O-N 3.42Å; N177-E180 PolarHBondContact OD1-N 3.12Å; N177-L181 WeakPolarHBondContact O-CB 3.39Å; N177-L181 PolarHBondContact O-N 2.98Å
178	A	37	Very low	36.3	Very low	10 Å²	10	85 Å²	85	8%	0.083	48%	0.475	C	S	.	.	H	α-helix	trans	-48.7	-35.5	-178.8	0	0	0	0	0	114.1	A182 A199 Y203	A178-A182 WeakPolarHBondContact O-CB 3.46Å; A178-A182 PolarHBondContact O-N 3.47Å; A178-A199 VanDerWaalsContact CB-O 3.31Å; A178-A199 WeakPolarHBondContact CB-O 3.32Å; A178-Y203 HydrophobicContact CB-CD2 3.85Å; A178-Y203 HydrophobicContact CB-CG 4.21Å
179	T	40.4	Very low	36.9	Very low	101 Å²	101	82.7 Å²	82.7	62%	0.62	46%	0.457	S	S	*	.	H	α-helix	trans	-71.9	-45.7	179.2	-30.7	0	0	0	0	111.8	N177 A182 A183	N177-T179 PolarHBondContact O-N 3.41Å; N177-T179 WeakPolarHBondContact OD1-CA 3.46Å; N177-T179 WeakPolarHBondContact OD1-CB 3.29Å; N177-T179 PolarHBondContact OD1-N 2.78Å; N177-T179 PolarHBondContact OD1-OG1 3.03Å; T179-A182 PolarHBondContact O-N 3.39Å; T179-A183 VanDerWaalsContact O-CB 3.28Å; T179-A183 WeakPolarHBondContact O-CB 3.31Å; T179-A183 PolarHBondContact O-N 2.93Å
180	E	43.8	Very low	37.5	Very low	92 Å²	92	82.4 Å²	82.4	43%	0.43	45%	0.448	S	S	.	.	H	α-helix	trans	-66.3	-40.6	175.9	-67.5	173.5	125.1	0	0	111.7	L176 N177 Y184	L176-E180 WeakPolarHBondContact CA-OE2 3.36Å; L176-E180 HydrophobicContact CB-CB 4.07Å; L176-E180 HydrophobicContact CD2-CB 3.94Å; N177-E180 PolarHBondContact N-OE2 3.19Å; N177-E180 WeakPolarHBondContact ND2-CG 3.28Å; N177-E180 PolarHBondContact ND2-OE2 3.22Å; N177-E180 PolarHBondContact O-N 3.42Å; N177-E180 PolarHBondContact OD1-N 3.12Å; E180-Y184 VanDerWaalsContact O-CB 3.32Å; E180-Y184 WeakPolarHBondContact O-CB 3.45Å; E180-Y184 PolarHBondContact O-N 2.99Å
181	L	43.4	Very low	38.1	Very low	47 Å²	47	78.3 Å²	78.3	25%	0.246	42%	0.42	C	S	.	.	H	α-helix	trans	-64.3	-47.6	174.9	-178.7	61	0	0	0	110.5	L176 N177 Y184 L185 A199	L176-L181 HydrophobicContact CB-CB 4.16Å; L176-L181 HydrophobicContact CD1-CD1 4.31Å; N177-L181 WeakPolarHBondContact O-CB 3.39Å; N177-L181 PolarHBondContact O-N 2.98Å; L181-Y184 CarbonylContact O-C 3.6Å; L181-Y184 WeakPolarHBondContact O-CA 3.15Å; L181-Y184 WeakPolarHBondContact O-CB 3.32Å; L181-Y184 PolarHBondContact O-N 3.33Å; L181-Y184 VanDerWaalsContact O-N 3.14Å; L181-L185 HydrophobicContact CD1-CD2 4.19Å; L181-L185 VanDerWaalsContact O-CG 3.29Å; L181-L185 WeakPolarHBondContact O-CG 3.1Å; L181-L185 PolarHBondContact O-N 3.23Å; L181-A199 HydrophobicContact CD2-CB 4.28Å; L181-A199 HydrophobicContact CG-CB 4.2Å
182	A	38.6	Very low	38.9	Very low	0 Å²	0	78.3 Å²	78.3	0%	0	42%	0.419	C	S	.	.	H	α-helix	trans	-65.4	-38.6	178.4	0	0	0	0	0	112.8	A178 T179 Y184 L185 D186 A199 K200	A178-A182 WeakPolarHBondContact O-CB 3.46Å; A178-A182 PolarHBondContact O-N 3.47Å; T179-A182 PolarHBondContact O-N 3.39Å; A182-Y184 VanDerWaalsContact C-N 3.31Å; A182-Y184 PolarHBondContact O-N 3.39Å; A182-L185 PolarHBondContact O-N 3.32Å; A182-L185 VanDerWaalsContact O-N 3.17Å; A182-D186 PolarHBondContact O-N 3.13Å; A182-A199 HydrophobicContact CB-CB 3.91Å; A182-K200 HydrophobicContact CB-CD 4.19Å; A182-K200 HydrophobicContact CB-CG 3.77Å
183	A	44.5	Very low	40	Very low	39 Å²	39	82.8 Å²	82.8	32%	0.322	43%	0.429	S	S	.	.	H	α-helix	trans	-61.2	-40.6	170.8	0	0	0	0	0	111.1	T179 D186 E187	T179-A183 VanDerWaalsContact O-CB 3.28Å; T179-A183 WeakPolarHBondContact O-CB 3.31Å; T179-A183 PolarHBondContact O-N 2.93Å; A183-D186 PolarHBondContact O-N 3.27Å; A183-E187 VanDerWaalsContact O-CB 3.25Å; A183-E187 WeakPolarHBondContact O-CB 3.47Å; A183-E187 WeakPolarHBondContact O-CG 3.41Å; A183-E187 PolarHBondContact O-N 3.3Å
184	Y	43.7	Very low	40.7	Very low	109 Å²	109	84.7 Å²	84.7	43%	0.427	43%	0.426	S	S	.	.	H	α-helix	trans	-64.6	-37.1	172.2	-165.4	-99.3	0	0	0	112.4	E180 L181 A182 F188 L189	E180-Y184 VanDerWaalsContact O-CB 3.32Å; E180-Y184 WeakPolarHBondContact O-CB 3.45Å; E180-Y184 PolarHBondContact O-N 2.99Å; L181-Y184 CarbonylContact O-C 3.6Å; L181-Y184 WeakPolarHBondContact O-CA 3.15Å; L181-Y184 WeakPolarHBondContact O-CB 3.32Å; L181-Y184 PolarHBondContact O-N 3.33Å; L181-Y184 VanDerWaalsContact O-N 3.14Å; A182-Y184 VanDerWaalsContact C-N 3.31Å; A182-Y184 PolarHBondContact O-N 3.39Å; Y184-F188 HydrophobicContact CD1-CB 4.25Å; Y184-F188 HydrophobicContact CD2-CB 3.62Å; Y184-F188 AromaticContact CD2-CD1 3.98Å; Y184-F188 HydrophobicContact CD2-CD1 3.98Å; Y184-F188 AromaticContact CD2-CD2 3.75Å; Y184-F188 HydrophobicContact CD2-CD2 3.75Å; Y184-F188 HydrophobicContact CD2-CE2 4.5Å; Y184-F188 AromaticContact CD2-CG 3.49Å; Y184-F188 HydrophobicContact CD2-CG 3.49Å; Y184-F188 VanDerWaalsContact CD2-CG 3.49Å; Y184-F188 HydrophobicContact CE1-CB 4.27Å; Y184-F188 HydrophobicContact CE2-CB 3.65Å; Y184-F188 AromaticContact CE2-CD1 3.6Å; Y184-F188 HydrophobicContact CE2-CD1 3.6Å; Y184-F188 HydrophobicContact CE2-CD2 4.24Å; Y184-F188 HydrophobicContact CE2-CE1 4.39Å; Y184-F188 AromaticContact CE2-CG 3.54Å; Y184-F188 HydrophobicContact CE2-CG 3.54Å; Y184-F188 HydrophobicContact CG-CB 3.93Å; Y184-F188 HydrophobicContact CG-CD2 4.44Å; Y184-F188 HydrophobicContact CG-CG 4.24Å; Y184-F188 VanDerWaalsContact O-CA 3.24Å; Y184-F188 WeakPolarHBondContact O-CA 3.31Å; Y184-F188 WeakPolarHBondContact O-CB 3.21Å; Y184-F188 PolarHBondContact O-N 2.53Å; Y184-L189 HydrophobicContact CD1-CD1 4.2Å; Y184-L189 HydrophobicContact CE1-CD1 4.13Å; Y184-L189 HydrophobicContact CE1-CG 4.47Å; Y184-L189 PolarHBondContact O-N 2.85Å
185	L	44.1	Very low	41	Very low	25 Å²	25	80.9 Å²	80.9	13%	0.131	41%	0.411	C	S	.	.	H	α-helix	trans	-68.3	-41	176.5	-60.7	-157.4	0	0	0	112.7	L181 A182 L189 H190 L191 M195 A199	L181-L185 HydrophobicContact CD1-CD2 4.19Å; L181-L185 VanDerWaalsContact O-CG 3.29Å; L181-L185 WeakPolarHBondContact O-CG 3.1Å; L181-L185 PolarHBondContact O-N 3.23Å; A182-L185 PolarHBondContact O-N 3.32Å; A182-L185 VanDerWaalsContact O-N 3.17Å; L185-L189 HydrophobicContact CD2-CD1 3.76Å; L185-H190 PolarHBondContact O-N 3.13Å; L185-L191 HydrophobicContact CB-CD1 4.11Å; L185-L191 HydrophobicContact CD1-CD1 4.1Å; L185-L191 HydrophobicContact CD2-CD1 4.01Å; L185-L191 HydrophobicContact CG-CD1 4.28Å; L185-L191 PolarHBondContact O-N 3.28Å; L185-M195 HydrophobicContact CD1-CB 4.06Å; L185-A199 HydrophobicContact CD1-CB 3.87Å; L185-A199 HydrophobicContact CG-CB 4.47Å
186	D	42.1	Very low	41.5	Very low	63 Å²	63	76.1 Å²	76.1	34%	0.337	38%	0.383	S	S	.	.	H	α-helix	trans	-73.9	-53.3	177.2	-79.7	-38.8	0	0	0	112.1	A182 A183 S196 K200	A182-D186 PolarHBondContact O-N 3.13Å; A183-D186 PolarHBondContact O-N 3.27Å; D186-S196 VanDerWaalsContact CG-CB 3.49Å; D186-S196 VanDerWaalsContact CG-OG 3.29Å; D186-S196 VanDerWaalsContact OD1-CB 3.27Å; D186-S196 WeakPolarHBondContact OD1-CB 3.33Å; D186-S196 WeakPolarHBondContact OD2-CB 3.12Å; D186-S196 PolarHBondContact OD2-OG 2.79Å; D186-K200 IonicContact OD2-NZ 3.81Å
187	E	42.9	Very low	42	Very low	127 Å²	127	79.9 Å²	79.9	59%	0.593	40%	0.396	S	S	*	.	H	α-helix	trans	-83.3	-29.8	-173.6	-62.5	-176.9	176.2	0	0	114.2	R83 A183	R83-E187 PolarHBondContact NH1-O 3.12Å; R83-E187 PolarHBondContact NH2-O 3.48Å; A183-E187 VanDerWaalsContact O-CB 3.25Å; A183-E187 WeakPolarHBondContact O-CB 3.47Å; A183-E187 WeakPolarHBondContact O-CG 3.41Å; A183-E187 PolarHBondContact O-N 3.3Å
188	F	35.7	Very low	42.4	Very low	63 Å²	63	81 Å²	81	28%	0.276	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-31.7	-173	-70.9	-109.6	0	0	0	114.6	R83 Y184	R83-F188 PolarHBondContact NH2-O 2.8Å; R83-F188 VanDerWaalsContact NH2-O 3.13Å; Y184-F188 HydrophobicContact CD1-CB 4.25Å; Y184-F188 HydrophobicContact CD2-CB 3.62Å; Y184-F188 AromaticContact CD2-CD1 3.98Å; Y184-F188 HydrophobicContact CD2-CD1 3.98Å; Y184-F188 AromaticContact CD2-CD2 3.75Å; Y184-F188 HydrophobicContact CD2-CD2 3.75Å; Y184-F188 HydrophobicContact CD2-CE2 4.5Å; Y184-F188 AromaticContact CD2-CG 3.49Å; Y184-F188 HydrophobicContact CD2-CG 3.49Å; Y184-F188 VanDerWaalsContact CD2-CG 3.49Å; Y184-F188 HydrophobicContact CE1-CB 4.27Å; Y184-F188 HydrophobicContact CE2-CB 3.65Å; Y184-F188 AromaticContact CE2-CD1 3.6Å; Y184-F188 HydrophobicContact CE2-CD1 3.6Å; Y184-F188 HydrophobicContact CE2-CD2 4.24Å; Y184-F188 HydrophobicContact CE2-CE1 4.39Å; Y184-F188 AromaticContact CE2-CG 3.54Å; Y184-F188 HydrophobicContact CE2-CG 3.54Å; Y184-F188 HydrophobicContact CG-CB 3.93Å; Y184-F188 HydrophobicContact CG-CD2 4.44Å; Y184-F188 HydrophobicContact CG-CG 4.24Å; Y184-F188 VanDerWaalsContact O-CA 3.24Å; Y184-F188 WeakPolarHBondContact O-CA 3.31Å; Y184-F188 WeakPolarHBondContact O-CB 3.21Å; Y184-F188 PolarHBondContact O-N 2.53Å
189	L	37.1	Very low	42.8	Very low	91 Å²	91	80.7 Å²	80.7	48%	0.476	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-4.3	-174.8	-67	166.1	0	0	0	114.7	Y184 L185 L191	Y184-L189 HydrophobicContact CD1-CD1 4.2Å; Y184-L189 HydrophobicContact CE1-CD1 4.13Å; Y184-L189 HydrophobicContact CE1-CG 4.47Å; Y184-L189 PolarHBondContact O-N 2.85Å; L185-L189 HydrophobicContact CD2-CD1 3.76Å; L189-L191 HydrophobicContact CB-CD1 4.01Å; L189-L191 HydrophobicContact CB-CG 3.84Å; L189-L191 HydrophobicContact CD1-CD1 4.29Å; L189-L191 PolarHBondContact O-N 3.18Å; L189-L191 VanDerWaalsContact O-N 3.13Å
190	H	42.3	Very low	42.9	Very low	111 Å²	111	80.8 Å²	80.8	51%	0.514	39%	0.39	S	S	.	.			trans	51.5	33.6	179.8	-56.7	-54.6	0	0	0	113.7	L185	L185-H190 PolarHBondContact O-N 3.13Å
191	L	39.2	Very low	43.1	Very low	57 Å²	57	79.5 Å²	79.5	30%	0.298	39%	0.391	S	S	.	.			trans	-71.6	153.5	-175.2	-71.8	172.1	0	0	0	111.5	L185 L189 K193 M195	L185-L191 HydrophobicContact CB-CD1 4.11Å; L185-L191 HydrophobicContact CD1-CD1 4.1Å; L185-L191 HydrophobicContact CD2-CD1 4.01Å; L185-L191 HydrophobicContact CG-CD1 4.28Å; L185-L191 PolarHBondContact O-N 3.28Å; L189-L191 HydrophobicContact CB-CD1 4.01Å; L189-L191 HydrophobicContact CB-CG 3.84Å; L189-L191 HydrophobicContact CD1-CD1 4.29Å; L189-L191 PolarHBondContact O-N 3.18Å; L189-L191 VanDerWaalsContact O-N 3.13Å; L191-K193 PolarHBondContact O-N 3.44Å; L191-M195 HydrophobicContact CB-CB 3.75Å; L191-M195 HydrophobicContact CB-CG 3.89Å; L191-M195 HydrophobicContact CD1-CB 4.02Å; L191-M195 HydrophobicContact CD1-CG 4.07Å; L191-M195 HydrophobicContact CD2-CG 4.45Å; L191-M195 HydrophobicContact CG-CB 4.47Å; L191-M195 HydrophobicContact CG-CG 4.37Å
192	P	43.5	Very low	43.1	Very low	92 Å²	92	83.7 Å²	83.7	60%	0.597	41%	0.411	S	S	*	.			trans	-55.7	142.2	173.6	-23.8	33.8	0	0	0	110.9	K194 M195	P192-K194 PolarHBondContact O-N 3.44Å; P192-M195 WeakPolarHBondContact O-CB 3.27Å; P192-M195 PolarHBondContact O-N 3.12Å
193	K	48	Very low	43	Very low	181 Å²	181	90.8 Å²	90.8	79%	0.787	44%	0.439	S	S	*	.	H	α-helix	trans	-48.1	-26.5	-175.6	-64.7	-176.4	178.4	-178.3	0	114.9	L191 M195 S196 F197	L191-K193 PolarHBondContact O-N 3.44Å; K193-M195 VanDerWaalsContact C-N 3.29Å; K193-M195 PolarHBondContact O-N 3.39Å; K193-S196 PolarHBondContact O-N 3.27Å; K193-F197 PolarHBondContact O-N 3.08Å
194	K	45.2	Very low	42.7	Very low	158 Å²	158	95.7 Å²	95.7	69%	0.687	48%	0.479	S	S	*	.	H	α-helix	trans	-56.1	-37.1	171.9	-171.1	175.5	-179.6	179.6	0	113.2	P192 M198	P192-K194 PolarHBondContact O-N 3.44Å; K194-M198 HydrophobicContact CG-SD 4.32Å; K194-M198 WeakPolarHBondContact O-CB 3.36Å; K194-M198 VanDerWaalsContact O-CG 3.26Å; K194-M198 WeakPolarHBondContact O-CG 3.44Å; K194-M198 PolarHBondContact O-N 2.88Å
195	M	41.5	Very low	42.7	Very low	85 Å²	85	95.1 Å²	95.1	42%	0.419	48%	0.482	S	S	.	.	H	α-helix	trans	-70.3	-43.9	176.2	-68.4	-69.5	-158.9	0	0	112	L185 L191 P192 K193 F197 M198 A199	L185-M195 HydrophobicContact CD1-CB 4.06Å; L191-M195 HydrophobicContact CB-CB 3.75Å; L191-M195 HydrophobicContact CB-CG 3.89Å; L191-M195 HydrophobicContact CD1-CB 4.02Å; L191-M195 HydrophobicContact CD1-CG 4.07Å; L191-M195 HydrophobicContact CD2-CG 4.45Å; L191-M195 HydrophobicContact CG-CB 4.47Å; L191-M195 HydrophobicContact CG-CG 4.37Å; P192-M195 WeakPolarHBondContact O-CB 3.27Å; P192-M195 PolarHBondContact O-N 3.12Å; K193-M195 VanDerWaalsContact C-N 3.29Å; K193-M195 PolarHBondContact O-N 3.39Å; M195-F197 VanDerWaalsContact C-N 3.3Å; M195-F197 PolarHBondContact O-N 2.94Å; M195-M198 PolarHBondContact O-N 3.19Å; M195-A199 PolarHBondContact O-N 3Å
196	S	43	Very low	42.6	Very low	6 Å²	6	98.7 Å²	98.7	4%	0.042	50%	0.5	C	S	.	.	H	α-helix	trans	-60.6	-39.6	173.6	175.9	0	0	0	0	111.8	D186 K193 K200	D186-S196 VanDerWaalsContact CG-CB 3.49Å; D186-S196 VanDerWaalsContact CG-OG 3.29Å; D186-S196 VanDerWaalsContact OD1-CB 3.27Å; D186-S196 WeakPolarHBondContact OD1-CB 3.33Å; D186-S196 WeakPolarHBondContact OD2-CB 3.12Å; D186-S196 PolarHBondContact OD2-OG 2.79Å; K193-S196 PolarHBondContact O-N 3.27Å; S196-K200 WeakPolarHBondContact O-CD 3.44Å; S196-K200 WeakPolarHBondContact O-CG 3.47Å; S196-K200 PolarHBondContact O-N 3.42Å; S196-K200 VanDerWaalsContact O-N 3.13Å; S196-K200 PolarHBondContact OG-NZ 2.82Å
197	F	47.1	Very low	42.6	Very low	149 Å²	149	100.7 Å²	100.7	65%	0.654	51%	0.51	S	S	*	.	H	α-helix	trans	-64.4	-46	171.4	-171.8	-89.5	0	0	0	112.3	K193 M195 A199 K200 S201	K193-F197 PolarHBondContact O-N 3.08Å; M195-F197 VanDerWaalsContact C-N 3.3Å; M195-F197 PolarHBondContact O-N 2.94Å; F197-A199 PolarHBondContact O-N 3.29Å; F197-K200 WeakPolarHBondContact O-CB 3.33Å; F197-K200 PolarHBondContact O-N 3.39Å; F197-S201 PolarHBondContact O-N 3.43Å; F197-S201 PolarHBondContact O-OG 3.19Å
198	M	48	Very low	42.6	Very low	95 Å²	95	99.2 Å²	99.2	47%	0.468	51%	0.505	S	S	.	.	H	α-helix	trans	-60	-44.4	177.3	-77.9	173	64.7	0	0	112.3	K194 M195 K200 S201 M202	K194-M198 HydrophobicContact CG-SD 4.32Å; K194-M198 WeakPolarHBondContact O-CB 3.36Å; K194-M198 VanDerWaalsContact O-CG 3.26Å; K194-M198 WeakPolarHBondContact O-CG 3.44Å; K194-M198 PolarHBondContact O-N 2.88Å; M195-M198 PolarHBondContact O-N 3.19Å; M198-K200 VanDerWaalsContact C-N 3.33Å; M198-K200 PolarHBondContact O-N 2.97Å; M198-S201 WeakPolarHBondContact CA-OG 3.26Å; M198-S201 CarbonylContact O-C 3.49Å; M198-S201 PolarHBondContact O-N 3.44Å; M198-S201 VanDerWaalsContact O-N 3.12Å; M198-S201 PolarHBondContact O-OG 3.46Å; M198-M202 WeakPolarHBondContact O-CG 3.43Å; M198-M202 PolarHBondContact O-N 2.89Å
199	A	44.2	Very low	43	Very low	4 Å²	4	101.4 Å²	101.4	3%	0.033	52%	0.519	C	S	.	.	H	α-helix	trans	-61	-40.5	175.2	0	0	0	0	0	112.3	A178 L181 A182 L185 M195 F197 S201 M202	A178-A199 VanDerWaalsContact CB-O 3.31Å; A178-A199 WeakPolarHBondContact CB-O 3.32Å; L181-A199 HydrophobicContact CD2-CB 4.28Å; L181-A199 HydrophobicContact CG-CB 4.2Å; A182-A199 HydrophobicContact CB-CB 3.91Å; L185-A199 HydrophobicContact CD1-CB 3.87Å; L185-A199 HydrophobicContact CG-CB 4.47Å; M195-A199 PolarHBondContact O-N 3Å; F197-A199 PolarHBondContact O-N 3.29Å; A199-S201 VanDerWaalsContact C-N 3.31Å; A199-S201 PolarHBondContact O-N 3.3Å; A199-M202 PolarHBondContact O-N 2.79Å
200	K	44.1	Very low	43.4	Very low	102 Å²	102	102.1 Å²	102.1	44%	0.443	52%	0.522	S	S	.	.	H	α-helix	trans	-63	-34.1	173.4	-74.9	160.6	-177.7	145.5	0	112.7	A182 D186 S196 F197 M198	A182-K200 HydrophobicContact CB-CD 4.19Å; A182-K200 HydrophobicContact CB-CG 3.77Å; D186-K200 IonicContact OD2-NZ 3.81Å; S196-K200 WeakPolarHBondContact O-CD 3.44Å; S196-K200 WeakPolarHBondContact O-CG 3.47Å; S196-K200 PolarHBondContact O-N 3.42Å; S196-K200 VanDerWaalsContact O-N 3.13Å; S196-K200 PolarHBondContact OG-NZ 2.82Å; F197-K200 WeakPolarHBondContact O-CB 3.33Å; F197-K200 PolarHBondContact O-N 3.39Å; M198-K200 VanDerWaalsContact C-N 3.33Å; M198-K200 PolarHBondContact O-N 2.97Å
201	S	47.1	Very low	43.5	Very low	66 Å²	66	101.5 Å²	101.5	46%	0.462	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-3.2	176.9	60.2	0	0	0	0	115.7	F197 M198 A199	F197-S201 PolarHBondContact O-N 3.43Å; F197-S201 PolarHBondContact O-OG 3.19Å; M198-S201 WeakPolarHBondContact CA-OG 3.26Å; M198-S201 CarbonylContact O-C 3.49Å; M198-S201 PolarHBondContact O-N 3.44Å; M198-S201 VanDerWaalsContact O-N 3.12Å; M198-S201 PolarHBondContact O-OG 3.46Å; A199-S201 VanDerWaalsContact C-N 3.31Å; A199-S201 PolarHBondContact O-N 3.3Å
202	M	43.3	Very low	43.8	Very low	134 Å²	134	104.9 Å²	104.9	66%	0.66	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-11.6	-179.7	-80.4	-173.8	71.7	0	0	114.5	M198 A199	M198-M202 WeakPolarHBondContact O-CG 3.43Å; M198-M202 PolarHBondContact O-N 2.89Å; A199-M202 PolarHBondContact O-N 2.79Å
203	Y	36.7	Very low	43.9	Very low	150 Å²	150	106 Å²	106	59%	0.588	54%	0.535	S	S	*	.			trans	-140.8	41.3	176.5	-57.9	-103.9	0	0	0	111.1	A178	A178-Y203 HydrophobicContact CB-CD2 3.85Å; A178-Y203 HydrophobicContact CB-CG 4.21Å
204	A	38.3	Very low	43.5	Very low	142 Å²	142	99.2 Å²	99.2	100%	1.174	51%	0.512	S	S	*	.			trans	-112.6	0	171.7	0	0	0	0	0	109.4

Retrieved 204 of 204 residues in 899.6 ms (Link to these results)

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