A0A077Z9A2_TRITR Loading...

Chondroitin proteoglycan 4 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z9A2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 228 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	37.4	Very low	39	Very low	248 Å²	248	145 Å²	145	100%	1.222	74%	0.743	S	S	*	*				0	87.8	0	-81.4	174.7	136.6	0	0	107.1	K3	M1-K3 PolarHBondContact O-N 2.81Å
2	E	37.3	Very low	38.2	Very low	200 Å²	200	146.8 Å²	146.8	94%	0.935	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-66.5	118.9	172.3	-79	163.6	114.4	0	0	108.5
3	K	37.9	Very low	37.7	Very low	199 Å²	199	146.8 Å²	146.8	87%	0.865	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-85.8	120.1	160	-93	-176.3	170.4	-175.8	0	106.7	M1 P5	M1-K3 PolarHBondContact O-N 2.81Å; K3-P5 WeakPolarHBondContact O-CD 3.42Å
4	N	41.3	Very low	37.4	Very low	120 Å²	120	145.8 Å²	145.8	64%	0.642	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-70.6	123.8	-175.9	-142.1	-2.3	0	0	0	109.2	A6 E7	N4-A6 PolarHBondContact O-N 3.25Å; N4-A6 VanDerWaalsContact O-N 3.09Å; N4-E7 PolarHBondContact O-N 3.12Å
5	P	44.8	Very low	36.9	Very low	93 Å²	93	148.1 Å²	148.1	60%	0.604	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-15.8	-174	0.2	-2	0	0	0	115.1	K3 E7 A8	K3-P5 WeakPolarHBondContact O-CD 3.42Å; P5-E7 VanDerWaalsContact C-N 3.3Å; P5-E7 PolarHBondContact O-N 3.45Å; P5-A8 PolarHBondContact O-N 3.14Å
6	A	46.7	Very low	36.5	Very low	63 Å²	63	146.7 Å²	146.7	52%	0.521	75%	0.751	S	S	.	*	H	α-helix	trans	-64.3	-30.4	178.9	0	0	0	0	0	113.6	N4 A8 E10	N4-A6 PolarHBondContact O-N 3.25Å; N4-A6 VanDerWaalsContact O-N 3.09Å; A6-A8 VanDerWaalsContact C-N 3.32Å; A6-A8 PolarHBondContact O-N 3.18Å; A6-E10 PolarHBondContact O-N 3.47Å
7	E	42.1	Very low	36.3	Very low	143 Å²	143	145.5 Å²	145.5	67%	0.668	75%	0.752	S	S	*	*	H	α-helix	trans	-77.2	-18.8	-179.5	-68.5	-178.4	156.2	0	0	113	N4 P5	N4-E7 PolarHBondContact O-N 3.12Å; P5-E7 VanDerWaalsContact C-N 3.3Å; P5-E7 PolarHBondContact O-N 3.45Å
8	A	40.8	Very low	36	Very low	69 Å²	69	142.9 Å²	142.9	57%	0.57	74%	0.739	S	S	*	*	H	α-helix	trans	-83.8	-29	177.4	0	0	0	0	0	112.4	P5 A6	P5-A8 PolarHBondContact O-N 3.14Å; A6-A8 VanDerWaalsContact C-N 3.32Å; A6-A8 PolarHBondContact O-N 3.18Å
9	E	37	Very low	35.8	Very low	148 Å²	148	141.7 Å²	141.7	69%	0.692	73%	0.734	S	S	*	*	H	α-helix	trans	-80.5	-31.1	177.7	-79.2	-176.8	147.3	0	0	112.9	Q11 M12	E9-Q11 VanDerWaalsContact C-N 3.32Å; E9-Q11 PolarHBondContact O-N 2.99Å; E9-M12 PolarHBondContact O-N 3.37Å
10	E	33.3	Very low	35.9	Very low	153 Å²	153	140.9 Å²	140.9	72%	0.715	73%	0.731	S	S	*	*	H	α-helix	trans	-69.3	-25.3	176.5	-91.5	-174.9	158.9	0	0	113.7	A6	A6-E10 PolarHBondContact O-N 3.47Å
11	Q	30.4	Very low	35.9	Very low	159 Å²	159	141.8 Å²	141.8	74%	0.743	73%	0.732	S	S	*	*	H	α-helix	trans	-83.1	-17.6	178.9	-75.8	-171.2	5	0	0	114.5	E9	E9-Q11 VanDerWaalsContact C-N 3.32Å; E9-Q11 PolarHBondContact O-N 2.99Å
12	M	29.6	Very low	36.2	Very low	166 Å²	166	131.9 Å²	131.9	82%	0.818	69%	0.687	S	S	*	*	H	α-helix	trans	-87.5	-21.8	-179.8	-83.4	-162.1	171.7	0	0	114.1	E9	E9-M12 PolarHBondContact O-N 3.37Å
13	I	31.6	Very low	36.3	Very low	148 Å²	148	124.9 Å²	124.9	76%	0.759	66%	0.656	S	S	*	*	H	α-helix	trans	-83.8	-18.9	-178.3	-57.1	178.7	0	0	0	111.9	K15	I13-K15 PolarHBondContact O-N 3.22Å
14	N	33.1	Very low	36.2	Very low	132 Å²	132	119.5 Å²	119.5	71%	0.706	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	17.8	-176.5	-105.4	-5.4	0	0	0	115.8
15	K	29.9	Very low	36.2	Very low	180 Å²	180	116.9 Å²	116.9	78%	0.783	63%	0.627	S	S	*	*	S	Bend	trans	-131	48.7	-177.6	-96.3	-175.5	177.9	176.3	0	114.6	I13	I13-K15 PolarHBondContact O-N 3.22Å
16	T	30.9	Very low	36	Very low	126 Å²	126	116.6 Å²	116.6	77%	0.773	62%	0.62	S	S	*	*			trans	-158.6	44.6	149.5	7.5	0	0	0	0	112.4	L18	T16-L18 PolarHBondContact O-N 3.18Å
17	T	32.8	Very low	35.6	Very low	126 Å²	126	116.1 Å²	116.1	77%	0.773	61%	0.608	S	S	*	*			trans	-75.1	86.8	155.1	35.3	0	0	0	0	106.9	D19	T17-D19 PolarHBondContact O-N 3.11Å
18	L	30.9	Very low	35.3	Very low	99 Å²	99	114 Å²	114	52%	0.518	60%	0.599	S	S	.	*			trans	-55.9	108	159.7	-93.4	119.1	0	0	0	106.1	T16 D20 I23	T16-L18 PolarHBondContact O-N 3.18Å; L18-D20 PolarHBondContact O-N 2.88Å; L18-I23 HydrophobicContact CB-CD1 4.11Å; L18-I23 HydrophobicContact CB-CG1 4.09Å; L18-I23 HydrophobicContact CD2-CG1 4.41Å
19	D	33.2	Very low	35.4	Very low	120 Å²	120	114.3 Å²	114.3	64%	0.642	59%	0.594	S	S	*	*			trans	-55.1	134	-177.9	-145.1	-4	0	0	0	108.8	T17 Q21 S22	T17-D19 PolarHBondContact O-N 3.11Å; D19-Q21 PolarHBondContact O-N 3.41Å; D19-S22 WeakPolarHBondContact O-CA 3.47Å; D19-S22 WeakPolarHBondContact O-CB 3.26Å; D19-S22 PolarHBondContact O-N 3.3Å; D19-S22 PolarHBondContact O-OG 3.26Å
20	D	36.3	Very low	35.6	Very low	126 Å²	126	114.5 Å²	114.5	67%	0.674	59%	0.588	S	S	*	*	H	α-helix	trans	-53	-31.7	-169.2	-78.5	-34.4	0	0	0	112.5	L18 S22 I23 D24	L18-D20 PolarHBondContact O-N 2.88Å; D20-S22 VanDerWaalsContact C-N 3.33Å; D20-S22 PolarHBondContact O-N 3.15Å; D20-I23 PolarHBondContact O-N 3.05Å; D20-D24 PolarHBondContact O-N 3.33Å
21	Q	36.2	Very low	35.8	Very low	159 Å²	159	112.3 Å²	112.3	74%	0.743	58%	0.576	S	S	*	*	H	α-helix	trans	-63.5	-33.3	174.7	-68.9	-173.9	-17.8	0	0	113.9	D19 S25	D19-Q21 PolarHBondContact O-N 3.41Å; Q21-S25 PolarHBondContact O-N 2.04Å
22	S	44	Very low	36.1	Very low	41 Å²	41	109.1 Å²	109.1	29%	0.287	56%	0.56	S	S	.	*	H	α-helix	trans	-70.1	-38.5	178.7	69.9	0	0	0	0	111.4	D19 D20 S25 L26	D19-S22 WeakPolarHBondContact O-CA 3.47Å; D19-S22 WeakPolarHBondContact O-CB 3.26Å; D19-S22 PolarHBondContact O-N 3.3Å; D19-S22 PolarHBondContact O-OG 3.26Å; D20-S22 VanDerWaalsContact C-N 3.33Å; D20-S22 PolarHBondContact O-N 3.15Å; S22-S25 PolarHBondContact O-OG 2.88Å; S22-S25 VanDerWaalsContact O-OG 3.07Å; S22-L26 WeakPolarHBondContact O-CB 3.08Å; S22-L26 PolarHBondContact O-N 2.74Å; S22-L26 VanDerWaalsContact O-N 3.12Å
23	I	39.1	Very low	36.7	Very low	53 Å²	53	105.6 Å²	105.6	27%	0.272	55%	0.545	S	S	.	.	H	α-helix	trans	-66.5	-45	178.5	-64.2	-179.5	0	0	0	110.4	L18 D20 S25 L26 L27	L18-I23 HydrophobicContact CB-CD1 4.11Å; L18-I23 HydrophobicContact CB-CG1 4.09Å; L18-I23 HydrophobicContact CD2-CG1 4.41Å; D20-I23 PolarHBondContact O-N 3.05Å; I23-S25 PolarHBondContact O-N 3.31Å; I23-L26 PolarHBondContact O-N 2.98Å; I23-L27 HydrophobicContact CG2-CD1 3.55Å; I23-L27 HydrophobicContact CG2-CG 4.34Å; I23-L27 WeakPolarHBondContact O-CB 3.5Å; I23-L27 WeakPolarHBondContact O-CD1 2.99Å; I23-L27 VanDerWaalsContact O-CG 3.28Å; I23-L27 WeakPolarHBondContact O-CG 3.46Å; I23-L27 PolarHBondContact O-N 2.89Å
24	D	35.4	Very low	37	Very low	85 Å²	85	104.5 Å²	104.5	46%	0.455	54%	0.536	S	S	.	.	H	α-helix	trans	-60	-46.3	178.2	-77.9	-14.5	0	0	0	111.9	D20 L26 L27 E28	D20-D24 PolarHBondContact O-N 3.33Å; D24-L26 VanDerWaalsContact C-N 3.32Å; D24-L26 PolarHBondContact O-N 3.12Å; D24-L27 PolarHBondContact O-N 3.39Å; D24-E28 WeakPolarHBondContact O-CB 3.28Å; D24-E28 PolarHBondContact O-N 3.43Å
25	S	43	Very low	37.2	Very low	65 Å²	65	102.4 Å²	102.4	46%	0.455	53%	0.528	S	S	.	.	H	α-helix	trans	-64	-37.5	177.9	82.8	0	0	0	0	112.6	Q21 S22 I23 T29	Q21-S25 PolarHBondContact O-N 2.04Å; S22-S25 PolarHBondContact O-OG 2.88Å; S22-S25 VanDerWaalsContact O-OG 3.07Å; I23-S25 PolarHBondContact O-N 3.31Å; S25-T29 VanDerWaalsContact O-CB 3.28Å; S25-T29 WeakPolarHBondContact O-CB 3.43Å; S25-T29 PolarHBondContact O-N 2.82Å; S25-T29 PolarHBondContact O-OG1 3.47Å
26	L	40.7	Very low	37.4	Very low	88 Å²	88	98.7 Å²	98.7	46%	0.461	52%	0.516	S	S	.	.	H	α-helix	trans	-71.7	-35.2	-177	-144.9	138.6	0	0	0	110.9	S22 I23 D24 R30	S22-L26 WeakPolarHBondContact O-CB 3.08Å; S22-L26 PolarHBondContact O-N 2.74Å; S22-L26 VanDerWaalsContact O-N 3.12Å; I23-L26 PolarHBondContact O-N 2.98Å; D24-L26 VanDerWaalsContact C-N 3.32Å; D24-L26 PolarHBondContact O-N 3.12Å; L26-R30 VanDerWaalsContact O-CB 3.32Å; L26-R30 WeakPolarHBondContact O-CB 2.99Å; L26-R30 VanDerWaalsContact O-CG 3.3Å; L26-R30 WeakPolarHBondContact O-CG 3.28Å; L26-R30 PolarHBondContact O-N 2.92Å
27	L	36.3	Very low	37.7	Very low	52 Å²	52	97.1 Å²	97.1	27%	0.272	51%	0.51	S	S	.	.	H	α-helix	trans	-75.8	-41.9	175.5	-71.4	165.2	0	0	0	112.4	I23 D24 T29 R30 F31 L77	I23-L27 HydrophobicContact CG2-CD1 3.55Å; I23-L27 HydrophobicContact CG2-CG 4.34Å; I23-L27 WeakPolarHBondContact O-CB 3.5Å; I23-L27 WeakPolarHBondContact O-CD1 2.99Å; I23-L27 VanDerWaalsContact O-CG 3.28Å; I23-L27 WeakPolarHBondContact O-CG 3.46Å; I23-L27 PolarHBondContact O-N 2.89Å; D24-L27 PolarHBondContact O-N 3.39Å; L27-T29 VanDerWaalsContact C-N 3.32Å; L27-T29 PolarHBondContact O-N 3.24Å; L27-R30 PolarHBondContact O-N 3.38Å; L27-F31 VanDerWaalsContact O-CB 3.29Å; L27-F31 WeakPolarHBondContact O-CB 3.29Å; L27-F31 PolarHBondContact O-N 3.13Å; L27-L77 HydrophobicContact CD1-CD1 3.56Å; L27-L77 HydrophobicContact CD1-CD2 3.65Å; L27-L77 HydrophobicContact CD1-CG 4.19Å
28	E	37.3	Very low	37.7	Very low	100 Å²	100	93.5 Å²	93.5	47%	0.467	50%	0.498	S	S	.	.	H	α-helix	trans	-61.7	-44.1	174.7	-164.1	-167.1	151.6	0	0	110.5	D24 F31 K32	D24-E28 WeakPolarHBondContact O-CB 3.28Å; D24-E28 PolarHBondContact O-N 3.43Å; E28-F31 PolarHBondContact O-N 2.04Å; E28-K32 WeakPolarHBondContact O-CB 3.26Å; E28-K32 PolarHBondContact O-N 2.94Å; E28-K32 IonicContact OE1-NZ 3.13Å; E28-K32 PolarHBondContact OE1-NZ 3.32Å
29	T	43	Very low	37.8	Very low	75 Å²	75	98 Å²	98	46%	0.46	51%	0.513	S	S	.	.	H	α-helix	trans	-63.1	-46.5	175.9	-53.3	0	0	0	0	110.7	S25 L27 F31 K32 D33	S25-T29 VanDerWaalsContact O-CB 3.28Å; S25-T29 WeakPolarHBondContact O-CB 3.43Å; S25-T29 PolarHBondContact O-N 2.82Å; S25-T29 PolarHBondContact O-OG1 3.47Å; L27-T29 VanDerWaalsContact C-N 3.32Å; L27-T29 PolarHBondContact O-N 3.24Å; T29-F31 VanDerWaalsContact C-N 3.33Å; T29-F31 PolarHBondContact O-N 3.17Å; T29-K32 PolarHBondContact O-N 3.18Å; T29-D33 VanDerWaalsContact O-CB 3.28Å; T29-D33 WeakPolarHBondContact O-CB 3.4Å; T29-D33 VanDerWaalsContact O-CG 3.29Å; T29-D33 PolarHBondContact O-N 2.74Å
30	R	40.3	Very low	38.2	Very low	151 Å²	151	98 Å²	98	57%	0.57	51%	0.512	S	S	*	.	H	α-helix	trans	-62.8	-38.1	176	-82.8	-175.2	176.3	-167.1	1	112.8	L26 L27 Q34	L26-R30 VanDerWaalsContact O-CB 3.32Å; L26-R30 WeakPolarHBondContact O-CB 2.99Å; L26-R30 VanDerWaalsContact O-CG 3.3Å; L26-R30 WeakPolarHBondContact O-CG 3.28Å; L26-R30 PolarHBondContact O-N 2.92Å; L27-R30 PolarHBondContact O-N 3.38Å; R30-Q34 WeakPolarHBondContact O-CB 3.35Å; R30-Q34 WeakPolarHBondContact O-CG 3.35Å; R30-Q34 PolarHBondContact O-N 3.39Å
31	F	38	Very low	38	Very low	107 Å²	107	96.4 Å²	96.4	47%	0.469	52%	0.517	S	S	.	.	H	α-helix	trans	-69	-45	177.5	-171	-93.4	0	0	0	110.9	L27 E28 T29 Q34 V35	L27-F31 VanDerWaalsContact O-CB 3.29Å; L27-F31 WeakPolarHBondContact O-CB 3.29Å; L27-F31 PolarHBondContact O-N 3.13Å; E28-F31 PolarHBondContact O-N 2.04Å; T29-F31 VanDerWaalsContact C-N 3.33Å; T29-F31 PolarHBondContact O-N 3.17Å; F31-Q34 PolarHBondContact O-N 3.39Å; F31-V35 HydrophobicContact CD1-CG2 4.34Å; F31-V35 HydrophobicContact CD2-CG2 3.94Å; F31-V35 HydrophobicContact CE1-CB 4.34Å; F31-V35 HydrophobicContact CE1-CG1 4.49Å; F31-V35 HydrophobicContact CE1-CG2 4.2Å; F31-V35 HydrophobicContact CE2-CG2 3.79Å; F31-V35 HydrophobicContact CG-CG2 4.22Å; F31-V35 HydrophobicContact CZ-CB 4.47Å; F31-V35 HydrophobicContact CZ-CG1 4.47Å; F31-V35 HydrophobicContact CZ-CG2 3.93Å; F31-V35 WeakPolarHBondContact O-CB 3.37Å; F31-V35 WeakPolarHBondContact O-CG2 3.35Å; F31-V35 PolarHBondContact O-N 3.23Å
32	K	37.4	Very low	37.8	Very low	92 Å²	92	91 Å²	91	40%	0.4	50%	0.499	S	S	.	.	I	π-helix	trans	-58.4	-48.1	171.9	-95.5	166.7	174.2	161.3	0	111.5	E28 T29 Q34 L36 S37	E28-K32 WeakPolarHBondContact O-CB 3.26Å; E28-K32 PolarHBondContact O-N 2.94Å; E28-K32 IonicContact OE1-NZ 3.13Å; E28-K32 PolarHBondContact OE1-NZ 3.32Å; T29-K32 PolarHBondContact O-N 3.18Å; K32-Q34 PolarHBondContact O-N 2.67Å; K32-L36 HydrophobicContact CB-CD1 4.43Å; K32-L36 HydrophobicContact CG-CD1 3.69Å; K32-L36 CarbonylContact O-C 3.58Å; K32-L36 VanDerWaalsContact O-CA 3.28Å; K32-L36 WeakPolarHBondContact O-CA 3.4Å; K32-L36 WeakPolarHBondContact O-CB 3.44Å; K32-L36 PolarHBondContact O-N 2.69Å; K32-S37 PolarHBondContact O-N 2.9Å
33	D	41.1	Very low	37.4	Very low	93 Å²	93	91.8 Å²	91.8	50%	0.497	50%	0.503	S	S	.	.	I	π-helix	trans	-68.2	-38.2	-178.9	-73.3	-15.2	0	0	0	112	T29 S37	T29-D33 VanDerWaalsContact O-CB 3.28Å; T29-D33 WeakPolarHBondContact O-CB 3.4Å; T29-D33 VanDerWaalsContact O-CG 3.29Å; T29-D33 PolarHBondContact O-N 2.74Å; D33-S37 VanDerWaalsContact O-CB 3.26Å; D33-S37 WeakPolarHBondContact O-CB 3.46Å; D33-S37 PolarHBondContact O-OG 3.16Å
34	Q	38.9	Very low	37.2	Very low	124 Å²	124	90.7 Å²	90.7	58%	0.579	50%	0.502	S	S	*	.	I	π-helix	trans	-82.2	-32.7	-178.5	-71.1	-177	-13.1	0	0	113.8	R30 F31 K32	R30-Q34 WeakPolarHBondContact O-CB 3.35Å; R30-Q34 WeakPolarHBondContact O-CG 3.35Å; R30-Q34 PolarHBondContact O-N 3.39Å; F31-Q34 PolarHBondContact O-N 3.39Å; K32-Q34 PolarHBondContact O-N 2.67Å
35	V	36.2	Very low	37.3	Very low	89 Å²	89	89.9 Å²	89.9	54%	0.539	50%	0.495	S	S	.	.	I	π-helix	trans	-100.1	-34.8	-174.5	-177.5	0	0	0	0	111.9	F31	F31-V35 HydrophobicContact CD1-CG2 4.34Å; F31-V35 HydrophobicContact CD2-CG2 3.94Å; F31-V35 HydrophobicContact CE1-CB 4.34Å; F31-V35 HydrophobicContact CE1-CG1 4.49Å; F31-V35 HydrophobicContact CE1-CG2 4.2Å; F31-V35 HydrophobicContact CE2-CG2 3.79Å; F31-V35 HydrophobicContact CG-CG2 4.22Å; F31-V35 HydrophobicContact CZ-CB 4.47Å; F31-V35 HydrophobicContact CZ-CG1 4.47Å; F31-V35 HydrophobicContact CZ-CG2 3.93Å; F31-V35 WeakPolarHBondContact O-CB 3.37Å; F31-V35 WeakPolarHBondContact O-CG2 3.35Å; F31-V35 PolarHBondContact O-N 3.23Å
36	L	34.9	Very low	37.2	Very low	102 Å²	102	90.9 Å²	90.9	53%	0.534	49%	0.492	S	S	.	.	I	π-helix	trans	-106.6	-21.2	-170	-59.5	171	0	0	0	114.1	K32 G38	K32-L36 HydrophobicContact CB-CD1 4.43Å; K32-L36 HydrophobicContact CG-CD1 3.69Å; K32-L36 CarbonylContact O-C 3.58Å; K32-L36 VanDerWaalsContact O-CA 3.28Å; K32-L36 WeakPolarHBondContact O-CA 3.4Å; K32-L36 WeakPolarHBondContact O-CB 3.44Å; K32-L36 PolarHBondContact O-N 2.69Å; L36-G38 VanDerWaalsContact C-N 3.27Å; L36-G38 PolarHBondContact O-N 3.27Å; L36-G38 VanDerWaalsContact O-N 3.13Å
37	S	37.8	Very low	37.2	Very low	93 Å²	93	90.7 Å²	90.7	65%	0.65	50%	0.495	S	S	*	.	S	Bend	trans	-76.4	6.7	-172.5	82.4	0	0	0	0	116.7	K32 D33	K32-S37 PolarHBondContact O-N 2.9Å; D33-S37 VanDerWaalsContact O-CB 3.26Å; D33-S37 WeakPolarHBondContact O-CB 3.46Å; D33-S37 PolarHBondContact O-OG 3.16Å
38	G	32.5	Very low	37.3	Very low	49 Å²	49	89.3 Å²	89.3	51%	0.505	49%	0.487	S	S	.	.	S	Bend	trans	-155.6	85.8	-176.8	0	0	0	0	0	117.2	L36	L36-G38 VanDerWaalsContact C-N 3.27Å; L36-G38 PolarHBondContact O-N 3.27Å; L36-G38 VanDerWaalsContact O-N 3.13Å
39	K	32.5	Very low	37.6	Very low	195 Å²	195	88.1 Å²	88.1	85%	0.848	48%	0.481	S	S	*	.			trans	39.3	97.9	151.2	-63.3	-176.7	179	-179.9	0	116.3	A41 A42	K39-A41 PolarHBondContact O-N 2.75Å; K39-A42 PolarHBondContact O-N 2.83Å
40	L	40.5	Very low	37.7	Very low	118 Å²	118	90.6 Å²	90.6	62%	0.618	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.5	1	-176.7	-90.9	103.3	0	0	0	121.1	P43 S92	L40-P43 VanDerWaalsContact O-CD 3.3Å; L40-P43 WeakPolarHBondContact O-CD 3.39Å; L40-S92 WeakPolarHBondContact CD2-OG 3.01Å
41	A	32.2	Very low	37.6	Very low	93 Å²	93	87.7 Å²	87.7	77%	0.769	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-21.7	173.2	0	0	0	0	0	113.9	K39	K39-A41 PolarHBondContact O-N 2.75Å
42	A	32.2	Very low	37.6	Very low	45 Å²	45	83.7 Å²	83.7	37%	0.372	46%	0.459	S	S	.	.	S	Bend	trans	-73.7	-20.4	172.6	0	0	0	0	0	117.1	K39 A44 K45 E46	K39-A42 PolarHBondContact O-N 2.83Å; A42-A44 VanDerWaalsContact C-N 3.33Å; A42-A44 PolarHBondContact O-N 3.38Å; A42-K45 PolarHBondContact O-N 2.85Å; A42-K45 VanDerWaalsContact O-N 3.09Å; A42-E46 PolarHBondContact O-N 3.29Å
43	P	36.9	Very low	37.8	Very low	58 Å²	58	82.9 Å²	82.9	38%	0.377	46%	0.459	S	S	.	.	H	α-helix	trans	-62.4	-35.1	-172.5	-22.4	30.9	0	0	0	113.7	L40 K45 E46 V47	L40-P43 VanDerWaalsContact O-CD 3.3Å; L40-P43 WeakPolarHBondContact O-CD 3.39Å; P43-K45 VanDerWaalsContact C-N 3.32Å; P43-K45 PolarHBondContact O-N 3.37Å; P43-E46 PolarHBondContact O-N 3.48Å; P43-V47 WeakPolarHBondContact O-CA 3.27Å; P43-V47 WeakPolarHBondContact O-CB 3.36Å; P43-V47 WeakPolarHBondContact O-CG2 3.27Å; P43-V47 PolarHBondContact O-N 3.18Å
44	A	34.4	Very low	37.4	Very low	30 Å²	30	81.7 Å²	81.7	25%	0.248	45%	0.453	C	S	.	.	H	α-helix	trans	-64.9	-40.1	178.1	0	0	0	0	0	110.9	A42 H48 F151 F210	A42-A44 VanDerWaalsContact C-N 3.33Å; A42-A44 PolarHBondContact O-N 3.38Å; A44-H48 WeakPolarHBondContact O-CA 3.34Å; A44-H48 WeakPolarHBondContact O-CB 3.48Å; A44-H48 PolarHBondContact O-N 3.13Å; A44-F151 HydrophobicContact CB-CE1 4.42Å; A44-F210 HydrophobicContact CB-CE1 4.45Å; A44-F210 HydrophobicContact CB-CZ 4.1Å
45	K	37.9	Very low	37.1	Very low	68 Å²	68	79 Å²	79	30%	0.296	44%	0.442	S	S	.	.	H	α-helix	trans	-67.4	-47	175	172	174.5	-170.5	-178	0	111.1	A42 P43 H48 E49 L152	A42-K45 PolarHBondContact O-N 2.85Å; A42-K45 VanDerWaalsContact O-N 3.09Å; P43-K45 VanDerWaalsContact C-N 3.32Å; P43-K45 PolarHBondContact O-N 3.37Å; K45-H48 CarbonylContact O-C 3.29Å; K45-H48 PolarHBondContact O-N 3.32Å; K45-E49 WeakPolarHBondContact CE-OE1 2.92Å; K45-E49 WeakPolarHBondContact CE-OE2 3.27Å; K45-E49 HydrophobicContact CG-CG 4.17Å; K45-E49 IonicContact NZ-OE1 2.72Å; K45-E49 PolarHBondContact NZ-OE1 3.24Å; K45-E49 WeakPolarHBondContact O-CA 3.4Å; K45-E49 WeakPolarHBondContact O-CB 3.08Å; K45-E49 WeakPolarHBondContact O-CG 3.44Å; K45-E49 PolarHBondContact O-N 2.85Å; K45-L152 HydrophobicContact CB-CD2 3.96Å; K45-L152 HydrophobicContact CD-CD2 3.34Å; K45-L152 HydrophobicContact CG-CD2 3.5Å
46	E	40.7	Very low	37.1	Very low	87 Å²	87	81.2 Å²	81.2	41%	0.407	44%	0.44	S	S	.	.	H	α-helix	trans	-70.3	-41.1	-178.2	-171	175.5	178.1	0	0	111.6	A42 P43 H48 R50	A42-E46 PolarHBondContact O-N 3.29Å; P43-E46 PolarHBondContact O-N 3.48Å; E46-H48 VanDerWaalsContact C-N 3.32Å; E46-H48 PolarHBondContact O-N 3.41Å; E46-R50 HydrophobicContact CG-CG 4.21Å; E46-R50 WeakPolarHBondContact O-CA 3.27Å; E46-R50 WeakPolarHBondContact O-CB 3.19Å; E46-R50 WeakPolarHBondContact O-CG 3.47Å; E46-R50 PolarHBondContact O-N 3.35Å; E46-R50 IonicContact OE1-CZ 3.86Å; E46-R50 IonicContact OE1-NE 3.34Å; E46-R50 PolarHBondContact OE1-NE 2.68Å; E46-R50 IonicContact OE1-NH2 2.72Å; E46-R50 PolarHBondContact OE1-NH2 2.8Å
47	V	40	Very low	37.3	Very low	84 Å²	84	83.8 Å²	83.8	51%	0.509	45%	0.45	S	S	.	.	H	α-helix	trans	-64.5	-38.6	172	173.4	0	0	0	0	110.3	P43 M51	P43-V47 WeakPolarHBondContact O-CA 3.27Å; P43-V47 WeakPolarHBondContact O-CB 3.36Å; P43-V47 WeakPolarHBondContact O-CG2 3.27Å; P43-V47 PolarHBondContact O-N 3.18Å; V47-M51 HydrophobicContact CG1-CG 4.39Å; V47-M51 HydrophobicContact CG1-SD 4.19Å; V47-M51 WeakPolarHBondContact O-CA 2.94Å; V47-M51 WeakPolarHBondContact O-CB 3.48Å; V47-M51 WeakPolarHBondContact O-CG 3.41Å; V47-M51 PolarHBondContact O-N 2.95Å
48	H	38.7	Very low	36.9	Very low	23 Å²	23	79.9 Å²	79.9	11%	0.106	42%	0.422	C	S	.	.	H	α-helix	trans	-74.1	-39.2	178.3	-174.4	72	0	0	0	113.1	A44 K45 E46 M51 L52 S148	A44-H48 WeakPolarHBondContact O-CA 3.34Å; A44-H48 WeakPolarHBondContact O-CB 3.48Å; A44-H48 PolarHBondContact O-N 3.13Å; K45-H48 CarbonylContact O-C 3.29Å; K45-H48 PolarHBondContact O-N 3.32Å; E46-H48 VanDerWaalsContact C-N 3.32Å; E46-H48 PolarHBondContact O-N 3.41Å; H48-M51 CarbonylContact O-C 3.58Å; H48-M51 PolarHBondContact O-N 3.35Å; H48-L52 WeakPolarHBondContact NE2-CD1 3.44Å; H48-L52 WeakPolarHBondContact NE2-CG 3.44Å; H48-L52 WeakPolarHBondContact O-CA 3.37Å; H48-L52 WeakPolarHBondContact O-CB 3.37Å; H48-L52 VanDerWaalsContact O-CG 3.24Å; H48-L52 WeakPolarHBondContact O-CG 3.04Å; H48-L52 PolarHBondContact O-N 3.45Å; H48-S148 PolarHBondContact CD2-OG 3.26Å; H48-S148 PolarHBondContact CE1-OG 3.48Å; H48-S148 WeakPolarHBondContact NE2-CB 3.4Å; H48-S148 PolarHBondContact NE2-OG 2.9Å
49	E	43	Very low	36.8	Very low	74 Å²	74	80.7 Å²	80.7	35%	0.346	42%	0.421	S	S	.	.	H	α-helix	trans	-72	-40.6	174	-78.7	-178.7	161.4	0	0	110.4	K45 L52 N53	K45-E49 WeakPolarHBondContact CE-OE1 2.92Å; K45-E49 WeakPolarHBondContact CE-OE2 3.27Å; K45-E49 HydrophobicContact CG-CG 4.17Å; K45-E49 IonicContact NZ-OE1 2.72Å; K45-E49 PolarHBondContact NZ-OE1 3.24Å; K45-E49 WeakPolarHBondContact O-CA 3.4Å; K45-E49 WeakPolarHBondContact O-CB 3.08Å; K45-E49 WeakPolarHBondContact O-CG 3.44Å; K45-E49 PolarHBondContact O-N 2.85Å; E49-L52 PolarHBondContact O-N 3.38Å; E49-N53 WeakPolarHBondContact O-CB 3.13Å; E49-N53 PolarHBondContact O-N 3.4Å; E49-N53 PolarHBondContact O-OD1 3.26Å
50	R	45	Very low	36.7	Very low	128 Å²	128	72.7 Å²	72.7	48%	0.483	39%	0.387	S	S	.	.	H	α-helix	trans	-63.8	-44.6	170	-72.9	176	-179.4	-135.3	7.4	110.2	E46 N53 L54	E46-R50 HydrophobicContact CG-CG 4.21Å; E46-R50 WeakPolarHBondContact O-CA 3.27Å; E46-R50 WeakPolarHBondContact O-CB 3.19Å; E46-R50 WeakPolarHBondContact O-CG 3.47Å; E46-R50 PolarHBondContact O-N 3.35Å; E46-R50 IonicContact OE1-CZ 3.86Å; E46-R50 IonicContact OE1-NE 3.34Å; E46-R50 PolarHBondContact OE1-NE 2.68Å; E46-R50 IonicContact OE1-NH2 2.72Å; E46-R50 PolarHBondContact OE1-NH2 2.8Å; R50-N53 PolarHBondContact O-N 3.49Å; R50-L54 WeakPolarHBondContact O-CB 3.36Å; R50-L54 WeakPolarHBondContact O-CD1 3.45Å; R50-L54 WeakPolarHBondContact O-CG 3.42Å; R50-L54 PolarHBondContact O-N 3.15Å
51	M	38.9	Very low	36.2	Very low	90 Å²	90	67.1 Å²	67.1	44%	0.443	36%	0.358	S	S	.	.	H	α-helix	trans	-61.4	-44.8	173.5	-85.7	-178.4	137.3	0	0	111	V47 H48 L54 L55	V47-M51 HydrophobicContact CG1-CG 4.39Å; V47-M51 HydrophobicContact CG1-SD 4.19Å; V47-M51 WeakPolarHBondContact O-CA 2.94Å; V47-M51 WeakPolarHBondContact O-CB 3.48Å; V47-M51 WeakPolarHBondContact O-CG 3.41Å; V47-M51 PolarHBondContact O-N 2.95Å; H48-M51 CarbonylContact O-C 3.58Å; H48-M51 PolarHBondContact O-N 3.35Å; M51-L54 CarbonylContact O-C 3.57Å; M51-L54 PolarHBondContact O-N 2.85Å; M51-L55 WeakPolarHBondContact O-CB 3.44Å; M51-L55 WeakPolarHBondContact O-CD1 3.1Å; M51-L55 WeakPolarHBondContact O-CG 3.07Å; M51-L55 PolarHBondContact O-N 3.4Å
52	L	38.1	Very low	36.2	Very low	22 Å²	22	65.1 Å²	65.1	12%	0.115	34%	0.338	C	S	.	.	H	α-helix	trans	-68.4	-40.1	-180	-82.6	-177.1	0	0	0	111.7	H48 E49 L55 R56	H48-L52 WeakPolarHBondContact NE2-CD1 3.44Å; H48-L52 WeakPolarHBondContact NE2-CG 3.44Å; H48-L52 WeakPolarHBondContact O-CA 3.37Å; H48-L52 WeakPolarHBondContact O-CB 3.37Å; H48-L52 VanDerWaalsContact O-CG 3.24Å; H48-L52 WeakPolarHBondContact O-CG 3.04Å; H48-L52 PolarHBondContact O-N 3.45Å; E49-L52 PolarHBondContact O-N 3.38Å; L52-L55 CarbonylContact O-C 3.52Å; L52-L55 PolarHBondContact O-N 3.46Å; L52-L55 VanDerWaalsContact O-N 3.16Å; L52-R56 WeakPolarHBondContact O-CA 3.02Å; L52-R56 WeakPolarHBondContact O-CB 3.37Å; L52-R56 WeakPolarHBondContact O-CG 3.33Å; L52-R56 PolarHBondContact O-N 3.46Å
53	N	40.6	Very low	36.2	Very low	75 Å²	75	67.8 Å²	67.8	40%	0.401	35%	0.346	S	S	.	.	H	α-helix	trans	-70.1	-39.3	175.4	-69.1	-6.2	0	0	0	110	E49 R50 L55 R56 E57 S58	E49-N53 WeakPolarHBondContact O-CB 3.13Å; E49-N53 PolarHBondContact O-N 3.4Å; E49-N53 PolarHBondContact O-OD1 3.26Å; R50-N53 PolarHBondContact O-N 3.49Å; N53-L55 VanDerWaalsContact C-N 3.26Å; N53-L55 PolarHBondContact O-N 3.19Å; N53-R56 PolarHBondContact O-N 3.2Å; N53-E57 WeakPolarHBondContact O-CA 3.14Å; N53-E57 WeakPolarHBondContact O-CB 3.35Å; N53-E57 PolarHBondContact O-N 3.25Å; N53-S58 PolarHBondContact O-N 2.95Å; N53-S58 VanDerWaalsContact O-N 3.16Å
54	L	34.7	Very low	35.9	Very low	69 Å²	69	69.9 Å²	69.9	36%	0.361	35%	0.35	S	S	.	.	H	α-helix	trans	-62.5	-32.9	167.7	-71.6	166.8	0	0	0	111.5	R50 M51 S58 I60 D63	R50-L54 WeakPolarHBondContact O-CB 3.36Å; R50-L54 WeakPolarHBondContact O-CD1 3.45Å; R50-L54 WeakPolarHBondContact O-CG 3.42Å; R50-L54 PolarHBondContact O-N 3.15Å; M51-L54 CarbonylContact O-C 3.57Å; M51-L54 PolarHBondContact O-N 2.85Å; L54-S58 WeakPolarHBondContact O-CB 3.35Å; L54-S58 PolarHBondContact O-OG 2.93Å; L54-I60 WeakPolarHBondContact O-CG1 3.44Å; L54-D63 HydrophobicContact CD2-CB 4.18Å
55	L	32.1	Very low	35.8	Very low	67 Å²	67	73 Å²	73	35%	0.351	36%	0.362	S	S	.	.	H	α-helix	trans	-81.6	-29	177.5	-72.2	164.2	0	0	0	112.8	M51 L52 N53 I60 Y171	M51-L55 WeakPolarHBondContact O-CB 3.44Å; M51-L55 WeakPolarHBondContact O-CD1 3.1Å; M51-L55 WeakPolarHBondContact O-CG 3.07Å; M51-L55 PolarHBondContact O-N 3.4Å; L52-L55 CarbonylContact O-C 3.52Å; L52-L55 PolarHBondContact O-N 3.46Å; L52-L55 VanDerWaalsContact O-N 3.16Å; N53-L55 VanDerWaalsContact C-N 3.26Å; N53-L55 PolarHBondContact O-N 3.19Å; L55-I60 HydrophobicContact CD2-CD1 4.02Å; L55-Y171 HydrophobicContact CD1-CE1 4.38Å
56	R	36.7	Very low	35.8	Very low	135 Å²	135	72.6 Å²	72.6	51%	0.509	36%	0.363	S	S	.	.	H	α-helix	trans	-100.2	-44.9	-172	-76.2	177.3	166.8	174	-4.5	113.5	L52 N53	L52-R56 WeakPolarHBondContact O-CA 3.02Å; L52-R56 WeakPolarHBondContact O-CB 3.37Å; L52-R56 WeakPolarHBondContact O-CG 3.33Å; L52-R56 PolarHBondContact O-N 3.46Å; N53-R56 PolarHBondContact O-N 3.2Å
57	E	37.2	Very low	35.9	Very low	156 Å²	156	72.7 Å²	72.7	73%	0.729	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-36.6	-176	-61.8	-175.5	158.8	0	0	111.6	N53 S59	N53-E57 WeakPolarHBondContact O-CA 3.14Å; N53-E57 WeakPolarHBondContact O-CB 3.35Å; N53-E57 PolarHBondContact O-N 3.25Å; E57-S59 PolarHBondContact O-N 3.21Å
58	S	29.6	Very low	36.1	Very low	11 Å²	11	71.7 Å²	71.7	8%	0.077	36%	0.357	C	S	.	.			trans	-76.9	119.6	178.5	98.4	0	0	0	0	110.4	N53 L54 I60 D63	N53-S58 PolarHBondContact O-N 2.95Å; N53-S58 VanDerWaalsContact O-N 3.16Å; L54-S58 WeakPolarHBondContact O-CB 3.35Å; L54-S58 PolarHBondContact O-OG 2.93Å; S58-I60 PolarHBondContact O-N 3.31Å; S58-I60 VanDerWaalsContact OG-CA 3.27Å; S58-I60 WeakPolarHBondContact OG-CA 3.01Å; S58-I60 WeakPolarHBondContact OG-CG1 3.32Å; S58-I60 PolarHBondContact OG-N 2.93Å; S58-D63 WeakPolarHBondContact CB-OD2 3.16Å
59	S	31.6	Very low	36.3	Very low	67 Å²	67	73.2 Å²	73.2	47%	0.469	37%	0.374	S	S	.	.			trans	-49.7	97	137	35.2	0	0	0	0	106.2	E57 G61 S62 D63	E57-S59 PolarHBondContact O-N 3.21Å; S59-G61 PolarHBondContact O-N 2.92Å; S59-S62 PolarHBondContact O-N 3.43Å; S59-S62 PolarHBondContact O-OG 3.42Å; S59-S62 WeakPolarHBondContact OG-CB 3.41Å; S59-S62 PolarHBondContact OG-OG 2.04Å; S59-D63 PolarHBondContact O-N 3.24Å
60	I	30.8	Very low	36.4	Very low	26 Å²	26	76.2 Å²	76.2	13%	0.133	38%	0.383	C	S	.	.	H	α-helix	trans	-50.3	-27.2	-173	-73.5	170.1	0	0	0	112.1	L54 L55 S58 F64 F126	L54-I60 WeakPolarHBondContact O-CG1 3.44Å; L55-I60 HydrophobicContact CD2-CD1 4.02Å; S58-I60 PolarHBondContact O-N 3.31Å; S58-I60 VanDerWaalsContact OG-CA 3.27Å; S58-I60 WeakPolarHBondContact OG-CA 3.01Å; S58-I60 WeakPolarHBondContact OG-CG1 3.32Å; S58-I60 PolarHBondContact OG-N 2.93Å; I60-F64 HydrophobicContact CG2-CD2 3.74Å; I60-F64 HydrophobicContact CG2-CE2 4.18Å; I60-F64 HydrophobicContact CG2-CG 4.5Å; I60-F64 WeakPolarHBondContact O-CA 3.43Å; I60-F64 WeakPolarHBondContact O-CB 3.34Å; I60-F64 WeakPolarHBondContact O-CD2 3.03Å; I60-F64 PolarHBondContact O-N 2.83Å; I60-F126 HydrophobicContact CG2-CB 4.21Å; I60-F126 HydrophobicContact CG2-CD1 3.87Å; I60-F126 HydrophobicContact CG2-CG 4.13Å
61	G	28.4	Very low	36.6	Very low	1 Å²	1	71 Å²	71	1%	0.01	36%	0.364	C	S	.	.	H	α-helix	trans	-85.4	-2	175.1	0	0	0	0	0	117.1	S59 K123 N127	S59-G61 PolarHBondContact O-N 2.92Å; G61-K123 VanDerWaalsContact O-CE 3.27Å; G61-K123 WeakPolarHBondContact O-CE 3.06Å; G61-N127 WeakPolarHBondContact CA-OD1 3.31Å; G61-N127 PolarHBondContact N-OD1 3.03Å; G61-N127 PolarHBondContact O-ND2 3.39Å; G61-N127 PolarHBondContact O-OD1 3.35Å
62	S	32.6	Very low	37.2	Very low	52 Å²	52	68.8 Å²	68.8	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-87.8	-44.7	165.3	67	0	0	0	0	111.4	S59 N65 N127	S59-S62 PolarHBondContact O-N 3.43Å; S59-S62 PolarHBondContact O-OG 3.42Å; S59-S62 WeakPolarHBondContact OG-CB 3.41Å; S59-S62 PolarHBondContact OG-OG 2.04Å; S62-N65 PolarHBondContact O-N 3.31Å; S62-N127 PolarHBondContact N-OD1 3.14Å
63	D	31.6	Very low	37.9	Very low	100 Å²	100	71.5 Å²	71.5	54%	0.535	37%	0.366	S	S	.	.	H	α-helix	trans	-87.8	-27.3	-176	-67.4	2.9	0	0	0	112.2	L54 S58 S59 N65	L54-D63 HydrophobicContact CD2-CB 4.18Å; S58-D63 WeakPolarHBondContact CB-OD2 3.16Å; S59-D63 PolarHBondContact O-N 3.24Å; D63-N65 PolarHBondContact O-N 3.44Å
64	F	30.5	Very low	38.4	Very low	103 Å²	103	69.8 Å²	69.8	45%	0.452	36%	0.358	S	S	.	.			trans	-76	63.6	150.2	-75.6	-105.5	0	0	0	109	I60 L66	I60-F64 HydrophobicContact CG2-CD2 3.74Å; I60-F64 HydrophobicContact CG2-CE2 4.18Å; I60-F64 HydrophobicContact CG2-CG 4.5Å; I60-F64 WeakPolarHBondContact O-CA 3.43Å; I60-F64 WeakPolarHBondContact O-CB 3.34Å; I60-F64 WeakPolarHBondContact O-CD2 3.03Å; I60-F64 PolarHBondContact O-N 2.83Å; F64-L66 HydrophobicContact CD1-CD1 3.69Å; F64-L66 HydrophobicContact CD1-CG 3.9Å; F64-L66 HydrophobicContact CE1-CD1 4.35Å; F64-L66 PolarHBondContact O-N 2.87Å
65	N	33.9	Very low	39.4	Very low	95 Å²	95	67.4 Å²	67.4	51%	0.508	35%	0.347	S	S	.	.			trans	-66.2	70.6	138.5	-105.2	-11.7	0	0	0	106.7	S62 D63 D67 K123	S62-N65 PolarHBondContact O-N 3.31Å; D63-N65 PolarHBondContact O-N 3.44Å; N65-D67 PolarHBondContact O-N 2.84Å; N65-K123 PolarHBondContact OD1-NZ 3Å
66	L	38.1	Very low	40.8	Very low	60 Å²	60	73.8 Å²	73.8	31%	0.314	37%	0.366	S	S	.	.			trans	-64.2	72.6	144.5	-82.2	162.9	0	0	0	104.9	F64 I68 F71 T119	F64-L66 HydrophobicContact CD1-CD1 3.69Å; F64-L66 HydrophobicContact CD1-CG 3.9Å; F64-L66 HydrophobicContact CE1-CD1 4.35Å; F64-L66 PolarHBondContact O-N 2.87Å; L66-I68 PolarHBondContact O-N 3.08Å; L66-F71 HydrophobicContact CD2-CD2 4.14Å; L66-T119 HydrophobicContact CB-CG2 4.1Å
67	D	41.3	Very low	41.5	Very low	88 Å²	88	69.3 Å²	69.3	47%	0.471	35%	0.352	S	S	.	.			trans	-57	129.9	156.7	-167	-23.8	0	0	0	104.8	N65 A69 Y70 F71	N65-D67 PolarHBondContact O-N 2.84Å; D67-A69 HydrophobicContact CB-CB 4.46Å; D67-A69 PolarHBondContact O-N 3.1Å; D67-A69 VanDerWaalsContact O-N 3.13Å; D67-A69 WeakPolarHBondContact OD1-CB 3.46Å; D67-A69 PolarHBondContact OD1-N 2.94Å; D67-Y70 WeakPolarHBondContact O-CA 3.35Å; D67-Y70 WeakPolarHBondContact O-CB 3.14Å; D67-Y70 PolarHBondContact O-N 3.4Å; D67-F71 PolarHBondContact O-N 2.87Å
68	I	44.5	Very low	42.2	Very low	64 Å²	64	62.5 Å²	62.5	33%	0.328	32%	0.322	S	S	.	.	H	α-helix	trans	-55.4	-30.4	174.4	-68.1	171.6	0	0	0	109	L66 F71 D72 K116	L66-I68 PolarHBondContact O-N 3.08Å; I68-F71 PolarHBondContact O-N 2.9Å; I68-D72 WeakPolarHBondContact O-CB 3.1Å; I68-D72 PolarHBondContact O-N 3.42Å; I68-K116 HydrophobicContact CG2-CD 3.84Å; I68-K116 HydrophobicContact CG2-CG 3.97Å
69	A	42.9	Very low	43.2	Very low	55 Å²	55	69.7 Å²	69.7	46%	0.455	35%	0.354	S	S	.	.	H	α-helix	trans	-63.2	-41.3	171.1	0	0	0	0	0	113.2	D67 D72 Q73	D67-A69 HydrophobicContact CB-CB 4.46Å; D67-A69 PolarHBondContact O-N 3.1Å; D67-A69 VanDerWaalsContact O-N 3.13Å; D67-A69 WeakPolarHBondContact OD1-CB 3.46Å; D67-A69 PolarHBondContact OD1-N 2.94Å; A69-D72 PolarHBondContact O-N 3.27Å; A69-Q73 WeakPolarHBondContact O-CB 3.24Å; A69-Q73 PolarHBondContact O-N 2.75Å
70	Y	46.2	Very low	44	Very low	136 Å²	136	69.6 Å²	69.6	53%	0.533	35%	0.352	S	S	.	.	H	α-helix	trans	-66.2	-42.1	174.5	-178.7	-103.8	0	0	0	111.2	D67 D72 Q73 V74	D67-Y70 WeakPolarHBondContact O-CA 3.35Å; D67-Y70 WeakPolarHBondContact O-CB 3.14Å; D67-Y70 PolarHBondContact O-N 3.4Å; Y70-D72 VanDerWaalsContact C-N 3.34Å; Y70-D72 PolarHBondContact O-N 2.87Å; Y70-Q73 PolarHBondContact O-N 3.1Å; Y70-V74 HydrophobicContact CD1-CG2 3.98Å; Y70-V74 HydrophobicContact CD2-CG2 4.42Å; Y70-V74 HydrophobicContact CE1-CG2 3.55Å; Y70-V74 HydrophobicContact CE2-CG2 4.04Å; Y70-V74 HydrophobicContact CG-CG2 4.4Å; Y70-V74 WeakPolarHBondContact O-CB 3.47Å; Y70-V74 VanDerWaalsContact O-CG2 3.28Å; Y70-V74 WeakPolarHBondContact O-CG2 3.42Å; Y70-V74 PolarHBondContact O-N 3.49Å
71	F	47.8	Very low	45	Very low	18 Å²	18	70.8 Å²	70.8	8%	0.079	36%	0.36	C	S	.	.	H	α-helix	trans	-60	-45.4	174.7	-172.1	-96.5	0	0	0	111.4	L66 D67 I68 Q73 V74 C75 L107 M112 A115	L66-F71 HydrophobicContact CD2-CD2 4.14Å; D67-F71 PolarHBondContact O-N 2.87Å; I68-F71 PolarHBondContact O-N 2.9Å; F71-Q73 VanDerWaalsContact C-N 3.34Å; F71-Q73 PolarHBondContact O-N 3.44Å; F71-V74 PolarHBondContact O-N 2.7Å; F71-C75 VanDerWaalsContact CE1-SG 3.53Å; F71-C75 WeakPolarHBondContact O-CB 3.33Å; F71-C75 PolarHBondContact O-N 2.95Å; F71-C75 PolarHBondContact O-SG 2.6Å; F71-L107 HydrophobicContact CE2-CB 3.81Å; F71-L107 HydrophobicContact CE2-CD1 4.28Å; F71-L107 HydrophobicContact CE2-CD2 4.33Å; F71-L107 HydrophobicContact CE2-CG 4.37Å; F71-L107 HydrophobicContact CZ-CB 3.75Å; F71-L107 WeakPolarHBondContact CZ-O 3.38Å; F71-M112 HydrophobicContact CE1-CB 4.32Å; F71-M112 HydrophobicContact CE1-CG 4.05Å; F71-A115 HydrophobicContact CE1-CB 4.22Å; F71-A115 HydrophobicContact CE2-CB 4.33Å; F71-A115 HydrophobicContact CZ-CB 3.8Å
72	D	51	Low	46	Very low	45 Å²	45	71.3 Å²	71.3	24%	0.241	37%	0.365	C	S	.	.	H	α-helix	trans	-61.1	-41.5	175.3	-79.6	-23.5	0	0	0	112.5	I68 A69 Y70 C75 R76 K116	I68-D72 WeakPolarHBondContact O-CB 3.1Å; I68-D72 PolarHBondContact O-N 3.42Å; A69-D72 PolarHBondContact O-N 3.27Å; Y70-D72 VanDerWaalsContact C-N 3.34Å; Y70-D72 PolarHBondContact O-N 2.87Å; D72-C75 PolarHBondContact O-N 3.47Å; D72-R76 WeakPolarHBondContact O-CG 3.47Å; D72-R76 PolarHBondContact O-N 3.35Å; D72-K116 WeakPolarHBondContact OD1-CE 3.09Å; D72-K116 IonicContact OD1-NZ 2.76Å; D72-K116 PolarHBondContact OD1-NZ 2.88Å; D72-K116 IonicContact OD2-NZ 2.94Å; D72-K116 PolarHBondContact OD2-NZ 3.46Å
73	Q	53	Low	46.8	Very low	79 Å²	79	75.8 Å²	75.8	37%	0.369	38%	0.38	S	S	.	.	H	α-helix	trans	-65.2	-47.5	177.2	-167.9	177.2	12	0	0	111.4	A69 Y70 F71 C75 R76 L77	A69-Q73 WeakPolarHBondContact O-CB 3.24Å; A69-Q73 PolarHBondContact O-N 2.75Å; Y70-Q73 PolarHBondContact O-N 3.1Å; F71-Q73 VanDerWaalsContact C-N 3.34Å; F71-Q73 PolarHBondContact O-N 3.44Å; Q73-C75 VanDerWaalsContact C-N 3.28Å; Q73-C75 PolarHBondContact O-N 3.38Å; Q73-R76 PolarHBondContact O-N 3.34Å; Q73-L77 HydrophobicContact CG-CD1 4.06Å; Q73-L77 WeakPolarHBondContact O-CD1 3.48Å; Q73-L77 WeakPolarHBondContact O-CG 3.42Å; Q73-L77 PolarHBondContact O-N 3.16Å
74	V	52.6	Low	47.7	Very low	39 Å²	39	73.6 Å²	73.6	24%	0.236	37%	0.372	C	S	.	.	H	α-helix	trans	-56	-44.6	173.8	169.8	0	0	0	0	110.5	Y70 F71 R76 L77 T78 V104	Y70-V74 HydrophobicContact CD1-CG2 3.98Å; Y70-V74 HydrophobicContact CD2-CG2 4.42Å; Y70-V74 HydrophobicContact CE1-CG2 3.55Å; Y70-V74 HydrophobicContact CE2-CG2 4.04Å; Y70-V74 HydrophobicContact CG-CG2 4.4Å; Y70-V74 WeakPolarHBondContact O-CB 3.47Å; Y70-V74 VanDerWaalsContact O-CG2 3.28Å; Y70-V74 WeakPolarHBondContact O-CG2 3.42Å; Y70-V74 PolarHBondContact O-N 3.49Å; F71-V74 PolarHBondContact O-N 2.7Å; V74-R76 PolarHBondContact O-N 2.53Å; V74-L77 PolarHBondContact O-N 2.72Å; V74-T78 PolarHBondContact O-N 2.92Å; V74-T78 VanDerWaalsContact O-N 3.09Å; V74-T78 PolarHBondContact O-OG1 3.43Å; V74-V104 HydrophobicContact CG1-CG1 3.72Å
75	C	55.6	Low	48.7	Very low	19 Å²	19	69.2 Å²	69.2	13%	0.128	35%	0.353	C	S	.	.	H	α-helix	trans	-63.6	-39.9	178.6	-68	0	0	0	0	113.6	F71 D72 Q73 C108	F71-C75 VanDerWaalsContact CE1-SG 3.53Å; F71-C75 WeakPolarHBondContact O-CB 3.33Å; F71-C75 PolarHBondContact O-N 2.95Å; F71-C75 PolarHBondContact O-SG 2.6Å; D72-C75 PolarHBondContact O-N 3.47Å; Q73-C75 VanDerWaalsContact C-N 3.28Å; Q73-C75 PolarHBondContact O-N 3.38Å; C75-C108 WeakPolarHBondContact CA-SG 3.48Å; C75-C108 HydrophobicContact CB-CB 3.46Å; C75-C108 VanDerWaalsContact CB-CB 3.46Å; C75-C108 WeakPolarHBondContact CB-SG 3.16Å; C75-C108 WeakPolarHBondContact SG-CA 3Å; C75-C108 WeakPolarHBondContact SG-CB 3.19Å; C75-C108 CovalentContact SG-SG 2.02Å; C75-C108 PolarHBondContact SG-SG 3.41Å
76	R	61	Low	49.7	Very low	200 Å²	200	71.7 Å²	71.7	76%	0.755	36%	0.362	S	S	*	.	H	α-helix	trans	-63.9	-42.2	173.9	-73.2	176.4	-176.2	-161.4	1.9	111.9	D72 Q73 V74 T78 P80	D72-R76 WeakPolarHBondContact O-CG 3.47Å; D72-R76 PolarHBondContact O-N 3.35Å; Q73-R76 PolarHBondContact O-N 3.34Å; V74-R76 PolarHBondContact O-N 2.53Å; R76-T78 VanDerWaalsContact C-N 3.31Å; R76-T78 PolarHBondContact O-N 2.92Å; R76-P80 WeakPolarHBondContact O-CD 3.39Å
77	L	50.7	Low	50.5	Low	41 Å²	41	75.4 Å²	75.4	22%	0.215	38%	0.382	C	S	.	.	H	α-helix	trans	-72.1	-22.4	-177.4	-65.5	162.6	0	0	0	113.9	L27 Q73 V74 Q79 P80 T81	L27-L77 HydrophobicContact CD1-CD1 3.56Å; L27-L77 HydrophobicContact CD1-CD2 3.65Å; L27-L77 HydrophobicContact CD1-CG 4.19Å; Q73-L77 HydrophobicContact CG-CD1 4.06Å; Q73-L77 WeakPolarHBondContact O-CD1 3.48Å; Q73-L77 WeakPolarHBondContact O-CG 3.42Å; Q73-L77 PolarHBondContact O-N 3.16Å; V74-L77 PolarHBondContact O-N 2.72Å; L77-Q79 VanDerWaalsContact C-N 3.28Å; L77-Q79 PolarHBondContact O-N 2.69Å; L77-P80 WeakPolarHBondContact O-CD 3.33Å; L77-P80 VanDerWaalsContact O-CG 3.31Å; L77-P80 WeakPolarHBondContact O-CG 3.31Å; L77-T81 PolarHBondContact O-N 3.09Å; L77-T81 PolarHBondContact O-OG1 3.46Å
78	T	53.2	Low	51.2	Low	14 Å²	14	73.1 Å²	73.1	9%	0.086	37%	0.372	C	S	.	.	H	α-helix	trans	-65.2	-33.1	-175.9	-49.4	0	0	0	0	112.4	V74 R76 T81 A82 R101 V104 Q105	V74-T78 PolarHBondContact O-N 2.92Å; V74-T78 VanDerWaalsContact O-N 3.09Å; V74-T78 PolarHBondContact O-OG1 3.43Å; R76-T78 VanDerWaalsContact C-N 3.31Å; R76-T78 PolarHBondContact O-N 2.92Å; T78-T81 PolarHBondContact O-N 3.05Å; T78-A82 PolarHBondContact O-N 3.36Å; T78-R101 HydrophobicContact CG2-CG 4.48Å; T78-V104 HydrophobicContact CG2-CB 3.76Å; T78-V104 HydrophobicContact CG2-CG1 3.7Å; T78-V104 WeakPolarHBondContact OG1-CG1 3.29Å; T78-Q105 HydrophobicContact CG2-CG 4.25Å
79	Q	51	Low	51.6	Low	161 Å²	161	76.2 Å²	76.2	75%	0.752	40%	0.399	S	S	*	.	H	α-helix	trans	-63.9	-50.6	178.1	-82.3	-170	-19.9	0	0	112.2	L77 T81 A82	L77-Q79 VanDerWaalsContact C-N 3.28Å; L77-Q79 PolarHBondContact O-N 2.69Å; Q79-T81 VanDerWaalsContact C-N 3.34Å; Q79-T81 PolarHBondContact O-N 2.93Å; Q79-A82 WeakPolarHBondContact O-CB 3.47Å; Q79-A82 PolarHBondContact O-N 2.79Å
80	P	48.4	Very low	52.3	Low	65 Å²	65	75.4 Å²	75.4	42%	0.422	39%	0.393	S	S	.	.	H	α-helix	trans	-64.8	-32.8	174.8	10	-18.6	0	0	0	113.8	R76 L77 A82 Q83	R76-P80 WeakPolarHBondContact O-CD 3.39Å; L77-P80 WeakPolarHBondContact O-CD 3.33Å; L77-P80 VanDerWaalsContact O-CG 3.31Å; L77-P80 WeakPolarHBondContact O-CG 3.31Å; P80-A82 PolarHBondContact O-N 3.17Å; P80-A82 VanDerWaalsContact O-N 3.13Å; P80-Q83 PolarHBondContact O-N 3.13Å; P80-Q83 VanDerWaalsContact O-N 3.12Å
81	T	50.3	Low	53	Low	51 Å²	51	75.3 Å²	75.3	31%	0.313	40%	0.401	S	S	.	.	H	α-helix	trans	-62	-24.8	176	-15.1	0	0	0	0	112.3	L77 T78 Q79 Q83 C84 L85	L77-T81 PolarHBondContact O-N 3.09Å; L77-T81 PolarHBondContact O-OG1 3.46Å; T78-T81 PolarHBondContact O-N 3.05Å; Q79-T81 VanDerWaalsContact C-N 3.34Å; Q79-T81 PolarHBondContact O-N 2.93Å; T81-Q83 VanDerWaalsContact C-N 3.28Å; T81-Q83 PolarHBondContact O-N 2.89Å; T81-C84 PolarHBondContact O-N 3.21Å; T81-L85 VanDerWaalsContact O-CG 3.29Å; T81-L85 WeakPolarHBondContact O-CG 3.29Å; T81-L85 PolarHBondContact O-N 2.89Å
82	A	49.7	Very low	53.3	Low	13 Å²	13	77.4 Å²	77.4	11%	0.107	42%	0.418	C	S	.	.	H	α-helix	trans	-54.4	-43.8	174.1	0	0	0	0	0	113.5	T78 Q79 P80 R101	T78-A82 PolarHBondContact O-N 3.36Å; Q79-A82 WeakPolarHBondContact O-CB 3.47Å; Q79-A82 PolarHBondContact O-N 2.79Å; P80-A82 PolarHBondContact O-N 3.17Å; P80-A82 VanDerWaalsContact O-N 3.13Å; A82-R101 VanDerWaalsContact CA-CZ 3.49Å; A82-R101 PolarHBondContact O-NH1 2.92Å
83	Q	49.8	Very low	53.4	Low	146 Å²	146	76.3 Å²	76.3	68%	0.682	42%	0.415	S	S	*	.	H	α-helix	trans	-73.4	-42	-176.9	-72.7	172.6	-23.7	0	0	110.1	P80 T81 L85 E86	P80-Q83 PolarHBondContact O-N 3.13Å; P80-Q83 VanDerWaalsContact O-N 3.12Å; T81-Q83 VanDerWaalsContact C-N 3.28Å; T81-Q83 PolarHBondContact O-N 2.89Å; Q83-L85 PolarHBondContact O-N 3.39Å; Q83-L85 VanDerWaalsContact O-N 3.16Å; Q83-E86 PolarHBondContact O-N 2.99Å
84	C	49.5	Very low	53.8	Low	53 Å²	53	76.7 Å²	76.7	36%	0.358	42%	0.416	S	S	.	.	H	α-helix	trans	-63.3	-23.9	177.7	-169.8	0	0	0	0	113.5	T81 E86 D87	T81-C84 PolarHBondContact O-N 3.21Å; C84-E86 VanDerWaalsContact C-N 3.35Å; C84-D87 PolarHBondContact O-N 2.72Å
85	L	52.2	Low	54	Low	12 Å²	12	80.1 Å²	80.1	6%	0.063	43%	0.433	C	S	.	.	H	α-helix	trans	-72.2	-28.2	178.6	-76.1	167.3	0	0	0	113.9	T81 Q83 D87 C88 A97 R101	T81-L85 VanDerWaalsContact O-CG 3.29Å; T81-L85 WeakPolarHBondContact O-CG 3.29Å; T81-L85 PolarHBondContact O-N 2.89Å; Q83-L85 PolarHBondContact O-N 3.39Å; Q83-L85 VanDerWaalsContact O-N 3.16Å; L85-D87 PolarHBondContact O-N 3.39Å; L85-C88 PolarHBondContact O-N 3.46Å; L85-A97 HydrophobicContact CD2-CB 3.1Å; L85-A97 HydrophobicContact CG-CB 4.44Å; L85-R101 HydrophobicContact CD1-CB 3.88Å; L85-R101 HydrophobicContact CD1-CG 4.31Å
86	E	55.5	Low	54	Low	147 Å²	147	82.6 Å²	82.6	69%	0.687	44%	0.444	S	S	*	.	H	α-helix	trans	-67.6	-26.3	177	-66.5	179.7	178.2	0	0	111	Q83 C84	Q83-E86 PolarHBondContact O-N 2.99Å; C84-E86 VanDerWaalsContact C-N 3.35Å
87	D	55.1	Low	53.8	Low	137 Å²	137	74.3 Å²	74.3	73%	0.733	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-0.2	-179.3	-63.1	-29.4	0	0	0	114.6	C84 L85 S89	C84-D87 PolarHBondContact O-N 2.72Å; L85-D87 PolarHBondContact O-N 3.39Å; D87-S89 PolarHBondContact O-N 3.3Å
88	C	55.5	Low	54.4	Low	40 Å²	40	75.8 Å²	75.8	27%	0.27	43%	0.429	S	S	.	.			trans	-70	125.7	179.6	-77.8	0	0	0	0	111.9	L85 K94	L85-C88 PolarHBondContact O-N 3.46Å; C88-K94 HydrophobicContact CB-CB 4.48Å
89	S	51.7	Low	54.7	Low	129 Å²	129	75.6 Å²	75.6	90%	0.902	43%	0.429	S	S	*	.			trans	-81.9	-17	-172.7	57.7	0	0	0	0	115.9	D87	D87-S89 PolarHBondContact O-N 3.3Å
90	A	57.6	Low	55	Low	38 Å²	38	70.1 Å²	70.1	31%	0.314	41%	0.411	S	S	.	.			trans	-110.1	122.6	-178.5	0	0	0	0	0	110.9	S92 A93 K94	A90-S92 VanDerWaalsContact C-N 3.27Å; A90-S92 PolarHBondContact O-N 2.92Å; A90-A93 HydrophobicContact CB-CB 4.06Å; A90-A93 WeakPolarHBondContact O-CB 3.38Å; A90-A93 PolarHBondContact O-N 3.31Å; A90-K94 PolarHBondContact O-N 2.93Å
91	D	62.3	Low	55.8	Low	134 Å²	134	70.4 Å²	70.4	72%	0.717	40%	0.404	S	S	*	.	H	α-helix	trans	-53.3	-42.9	-179.2	-67.1	-33.4	0	0	0	112.4	A93 K94 D95	D91-A93 PolarHBondContact O-N 3.37Å; D91-K94 WeakPolarHBondContact O-CB 3.3Å; D91-K94 PolarHBondContact O-N 2.86Å; D91-D95 PolarHBondContact O-N 2.95Å
92	S	53.4	Low	56.5	Low	62 Å²	62	70.7 Å²	70.7	43%	0.434	41%	0.408	S	S	.	.	H	α-helix	trans	-63.9	-38	177.6	57.7	0	0	0	0	113.4	L40 A90 I96	L40-S92 WeakPolarHBondContact CD2-OG 3.01Å; A90-S92 VanDerWaalsContact C-N 3.27Å; A90-S92 PolarHBondContact O-N 2.92Å; S92-I96 WeakPolarHBondContact O-CD1 3.5Å; S92-I96 VanDerWaalsContact O-CG1 3.26Å; S92-I96 WeakPolarHBondContact O-CG1 3.44Å; S92-I96 PolarHBondContact O-N 3.17Å
93	A	53.6	Low	57.1	Low	22 Å²	22	71.9 Å²	71.9	18%	0.182	41%	0.412	C	S	.	.	H	α-helix	trans	-69.2	-39.1	175.3	0	0	0	0	0	110.8	A90 D91 I96 A97	A90-A93 HydrophobicContact CB-CB 4.06Å; A90-A93 WeakPolarHBondContact O-CB 3.38Å; A90-A93 PolarHBondContact O-N 3.31Å; D91-A93 PolarHBondContact O-N 3.37Å; A93-I96 PolarHBondContact O-N 3.3Å; A93-A97 WeakPolarHBondContact O-CB 3.35Å; A93-A97 PolarHBondContact O-N 2.93Å
94	K	60.3	Low	57.8	Low	87 Å²	87	66.6 Å²	66.6	38%	0.378	39%	0.39	S	S	.	.	H	α-helix	trans	-62.4	-43	176	-170.9	175.6	-177.1	171.3	0	112	C88 A90 D91 A97 T98	C88-K94 HydrophobicContact CB-CB 4.48Å; A90-K94 PolarHBondContact O-N 2.93Å; D91-K94 WeakPolarHBondContact O-CB 3.3Å; D91-K94 PolarHBondContact O-N 2.86Å; K94-A97 PolarHBondContact O-N 3.48Å; K94-T98 WeakPolarHBondContact O-CB 3.27Å; K94-T98 PolarHBondContact O-N 3Å; K94-T98 PolarHBondContact O-OG1 3.49Å
95	D	57.9	Low	58.6	Low	111 Å²	111	68.1 Å²	68.1	59%	0.594	39%	0.392	S	S	*	.	H	α-helix	trans	-64.4	-48.9	177.4	-79.3	-22.1	0	0	0	112.1	D91 A97 T98 A99	D91-D95 PolarHBondContact O-N 2.95Å; D95-A97 VanDerWaalsContact C-N 3.29Å; D95-A97 PolarHBondContact O-N 3.48Å; D95-T98 PolarHBondContact O-N 2.88Å; D95-A99 VanDerWaalsContact O-CB 3.22Å; D95-A99 WeakPolarHBondContact O-CB 3.37Å; D95-A99 PolarHBondContact O-N 3.47Å
96	I	54.5	Low	59.4	Low	72 Å²	72	68.1 Å²	68.1	37%	0.369	39%	0.392	S	S	.	.	H	α-helix	trans	-57.5	-47.6	177.9	-69.1	165.3	0	0	0	109.9	S92 A93 A99 A100 V209	S92-I96 WeakPolarHBondContact O-CD1 3.5Å; S92-I96 VanDerWaalsContact O-CG1 3.26Å; S92-I96 WeakPolarHBondContact O-CG1 3.44Å; S92-I96 PolarHBondContact O-N 3.17Å; A93-I96 PolarHBondContact O-N 3.3Å; I96-A99 WeakPolarHBondContact O-CB 3.45Å; I96-A99 PolarHBondContact O-N 3.44Å; I96-A100 WeakPolarHBondContact O-CB 3.37Å; I96-A100 PolarHBondContact O-N 3.43Å; I96-V209 HydrophobicContact CB-CG2 4.47Å; I96-V209 HydrophobicContact CD1-CG1 4.25Å; I96-V209 HydrophobicContact CG1-CB 4.44Å; I96-V209 HydrophobicContact CG1-CG1 4.14Å; I96-V209 HydrophobicContact CG1-CG2 3.73Å
97	A	58.3	Low	59.9	Low	25 Å²	25	62.6 Å²	62.6	21%	0.207	37%	0.367	C	S	.	.	H	α-helix	trans	-80.1	-28.7	-172.1	0	0	0	0	0	112.4	L85 A93 K94 D95 A99 R101	L85-A97 HydrophobicContact CD2-CB 3.1Å; L85-A97 HydrophobicContact CG-CB 4.44Å; A93-A97 WeakPolarHBondContact O-CB 3.35Å; A93-A97 PolarHBondContact O-N 2.93Å; K94-A97 PolarHBondContact O-N 3.48Å; D95-A97 VanDerWaalsContact C-N 3.29Å; D95-A97 PolarHBondContact O-N 3.48Å; A97-A99 VanDerWaalsContact C-N 3.35Å; A97-R101 VanDerWaalsContact O-CB 3.27Å; A97-R101 WeakPolarHBondContact O-CB 3.48Å; A97-R101 PolarHBondContact O-N 2.92Å
98	T	62.5	Low	60.5	Low	72 Å²	72	57 Å²	57	44%	0.442	34%	0.338	S	S	.	.	H	α-helix	trans	-62.1	-43.2	165.2	-62.2	0	0	0	0	111.1	K94 D95 R101 S102	K94-T98 WeakPolarHBondContact O-CB 3.27Å; K94-T98 PolarHBondContact O-N 3Å; K94-T98 PolarHBondContact O-OG1 3.49Å; D95-T98 PolarHBondContact O-N 2.88Å; T98-R101 PolarHBondContact O-N 3.04Å; T98-S102 PolarHBondContact O-N 3.43Å
99	A	59.8	Low	61.2	Low	10 Å²	10	58.9 Å²	58.9	8%	0.083	36%	0.356	C	S	.	.	H	α-helix	trans	-66.5	-44.3	178.3	0	0	0	0	0	111.9	D95 I96 A97 S102 L103 V205	D95-A99 VanDerWaalsContact O-CB 3.22Å; D95-A99 WeakPolarHBondContact O-CB 3.37Å; D95-A99 PolarHBondContact O-N 3.47Å; I96-A99 WeakPolarHBondContact O-CB 3.45Å; I96-A99 PolarHBondContact O-N 3.44Å; A97-A99 VanDerWaalsContact C-N 3.35Å; A99-S102 PolarHBondContact O-N 2.93Å; A99-L103 PolarHBondContact O-N 3.46Å; A99-V205 HydrophobicContact CB-CB 4.14Å; A99-V205 HydrophobicContact CB-CG1 3.67Å; A99-V205 HydrophobicContact CB-CG2 3.74Å
100	A	58.3	Low	62.2	Low	46 Å²	46	57.8 Å²	57.8	38%	0.38	34%	0.34	S	S	.	.	H	α-helix	trans	-59.4	-45.8	172.9	0	0	0	0	0	111.4	I96 S102 L103 V104	I96-A100 WeakPolarHBondContact O-CB 3.37Å; I96-A100 PolarHBondContact O-N 3.43Å; A100-S102 VanDerWaalsContact C-N 3.34Å; A100-S102 PolarHBondContact O-N 3.17Å; A100-L103 WeakPolarHBondContact O-CB 3.45Å; A100-L103 PolarHBondContact O-N 3.19Å; A100-L103 VanDerWaalsContact O-N 3.15Å; A100-V104 WeakPolarHBondContact O-CG2 3.35Å; A100-V104 PolarHBondContact O-N 3.39Å
101	R	63.5	Low	62.8	Low	71 Å²	71	59.6 Å²	59.6	27%	0.268	34%	0.339	S	S	.	.	H	α-helix	trans	-57.9	-44	175.3	174.6	176.4	167.5	-170.7	1.6	112.2	T78 A82 L85 A97 T98 L103 V104 Q105	T78-R101 HydrophobicContact CG2-CG 4.48Å; A82-R101 VanDerWaalsContact CA-CZ 3.49Å; A82-R101 PolarHBondContact O-NH1 2.92Å; L85-R101 HydrophobicContact CD1-CB 3.88Å; L85-R101 HydrophobicContact CD1-CG 4.31Å; A97-R101 VanDerWaalsContact O-CB 3.27Å; A97-R101 WeakPolarHBondContact O-CB 3.48Å; A97-R101 PolarHBondContact O-N 2.92Å; T98-R101 PolarHBondContact O-N 3.04Å; R101-L103 VanDerWaalsContact C-N 3.27Å; R101-L103 PolarHBondContact O-N 3.01Å; R101-V104 PolarHBondContact O-N 3.37Å; R101-Q105 HydrophobicContact CG-CG 4.12Å; R101-Q105 WeakPolarHBondContact O-CB 3.33Å; R101-Q105 WeakPolarHBondContact O-CG 3.38Å; R101-Q105 PolarHBondContact O-N 3.37Å
102	S	66.7	Low	63.4	Low	58 Å²	58	56.9 Å²	56.9	41%	0.406	32%	0.323	S	S	.	.	H	α-helix	trans	-60.2	-37.2	177.9	-178.9	0	0	0	0	112.4	T98 A99 A100 F106	T98-S102 PolarHBondContact O-N 3.43Å; A99-S102 PolarHBondContact O-N 2.93Å; A100-S102 VanDerWaalsContact C-N 3.34Å; A100-S102 PolarHBondContact O-N 3.17Å; S102-F106 VanDerWaalsContact O-CB 3.31Å; S102-F106 WeakPolarHBondContact O-CB 3.47Å; S102-F106 PolarHBondContact O-N 3Å
103	L	61.9	Low	64.5	Low	37 Å²	37	61 Å²	61	19%	0.194	34%	0.335	C	S	.	.	H	α-helix	trans	-66.7	-44.6	175	179.4	63.7	0	0	0	111.5	A99 A100 R101 F106 L107 K201 V202	A99-L103 PolarHBondContact O-N 3.46Å; A100-L103 WeakPolarHBondContact O-CB 3.45Å; A100-L103 PolarHBondContact O-N 3.19Å; A100-L103 VanDerWaalsContact O-N 3.15Å; R101-L103 VanDerWaalsContact C-N 3.27Å; R101-L103 PolarHBondContact O-N 3.01Å; L103-F106 WeakPolarHBondContact O-CB 3.36Å; L103-F106 PolarHBondContact O-N 2.79Å; L103-L107 HydrophobicContact CG-CD1 4.43Å; L103-L107 WeakPolarHBondContact O-CG 3.45Å; L103-L107 PolarHBondContact O-N 3.26Å; L103-K201 HydrophobicContact CD1-CB 3.82Å; L103-K201 HydrophobicContact CD1-CD 4.41Å; L103-V202 HydrophobicContact CD1-CG2 4.27Å; L103-V202 HydrophobicContact CD2-CG2 3.81Å
104	V	64.5	Low	65.5	Low	35 Å²	35	62 Å²	62	21%	0.212	34%	0.339	C	S	.	.	H	α-helix	trans	-70	-42.9	-179.5	-170.9	0	0	0	0	111.3	V74 T78 A100 R101 F106 L107 C108	V74-V104 HydrophobicContact CG1-CG1 3.72Å; T78-V104 HydrophobicContact CG2-CB 3.76Å; T78-V104 HydrophobicContact CG2-CG1 3.7Å; T78-V104 WeakPolarHBondContact OG1-CG1 3.29Å; A100-V104 WeakPolarHBondContact O-CG2 3.35Å; A100-V104 PolarHBondContact O-N 3.39Å; R101-V104 PolarHBondContact O-N 3.37Å; V104-F106 VanDerWaalsContact C-N 3.29Å; V104-F106 PolarHBondContact O-N 3.09Å; V104-L107 PolarHBondContact O-N 3.3Å; V104-L107 VanDerWaalsContact O-N 3.13Å; V104-C108 VanDerWaalsContact CG1-SG 3.56Å; V104-C108 WeakPolarHBondContact O-CB 3.42Å; V104-C108 PolarHBondContact O-N 2.96Å; V104-C108 PolarHBondContact O-SG 2.88Å
105	Q	66.4	Low	66	Low	85 Å²	85	58.1 Å²	58.1	40%	0.397	32%	0.323	S	S	.	.	H	α-helix	trans	-55.9	-43.8	172.4	-77.1	-178.7	-33.1	0	0	111.9	T78 R101 L107 C108 A109	T78-Q105 HydrophobicContact CG2-CG 4.25Å; R101-Q105 HydrophobicContact CG-CG 4.12Å; R101-Q105 WeakPolarHBondContact O-CB 3.33Å; R101-Q105 WeakPolarHBondContact O-CG 3.38Å; R101-Q105 PolarHBondContact O-N 3.37Å; Q105-L107 PolarHBondContact O-N 2.77Å; Q105-C108 PolarHBondContact O-N 3.13Å; Q105-A109 WeakPolarHBondContact O-CA 2.76Å; Q105-A109 WeakPolarHBondContact O-CB 3.2Å; Q105-A109 PolarHBondContact O-N 3.38Å
106	F	68.7	Low	66.7	Low	13 Å²	13	55.7 Å²	55.7	6%	0.057	31%	0.307	C	S	.	.	I	π-helix	trans	-60.1	-45.8	175.9	168	-105.9	0	0	0	112.5	S102 L103 V104 D110 R111 E197 I198 K201	S102-F106 VanDerWaalsContact O-CB 3.31Å; S102-F106 WeakPolarHBondContact O-CB 3.47Å; S102-F106 PolarHBondContact O-N 3Å; L103-F106 WeakPolarHBondContact O-CB 3.36Å; L103-F106 PolarHBondContact O-N 2.79Å; V104-F106 VanDerWaalsContact C-N 3.29Å; V104-F106 PolarHBondContact O-N 3.09Å; F106-D110 HydrophobicContact CD2-CB 4.06Å; F106-D110 WeakPolarHBondContact O-CB 3.47Å; F106-D110 PolarHBondContact O-N 3.46Å; F106-R111 HydrophobicContact CD2-CG 4.16Å; F106-R111 HydrophobicContact CE1-CG 3.94Å; F106-R111 HydrophobicContact CE2-CG 3.52Å; F106-R111 HydrophobicContact CZ-CB 4.46Å; F106-R111 HydrophobicContact CZ-CG 3.4Å; F106-R111 PolarHBondContact O-N 3.44Å; F106-E197 HydrophobicContact CE1-CB 4.08Å; F106-E197 HydrophobicContact CZ-CB 3.54Å; F106-E197 HydrophobicContact CZ-CG 4.35Å; F106-E197 WeakPolarHBondContact CZ-OE2 3.5Å; F106-I198 HydrophobicContact CE1-CG1 4.2Å; F106-K201 HydrophobicContact CB-CD 3.83Å; F106-K201 HydrophobicContact CD1-CD 3.39Å; F106-K201 HydrophobicContact CD2-CD 3.98Å; F106-K201 HydrophobicContact CE1-CD 3.84Å; F106-K201 HydrophobicContact CE2-CD 4.35Å; F106-K201 HydrophobicContact CG-CD 3.44Å; F106-K201 VanDerWaalsContact CG-CD 3.44Å; F106-K201 HydrophobicContact CZ-CD 4.27Å
107	L	66.6	Low	67.9	Low	31 Å²	31	55.7 Å²	55.7	16%	0.162	31%	0.313	C	S	.	.	I	π-helix	trans	-64.1	-42.2	177.6	-77.3	174.2	0	0	0	111.8	F71 L103 V104 Q105 R111 M112 I198	F71-L107 HydrophobicContact CE2-CB 3.81Å; F71-L107 HydrophobicContact CE2-CD1 4.28Å; F71-L107 HydrophobicContact CE2-CD2 4.33Å; F71-L107 HydrophobicContact CE2-CG 4.37Å; F71-L107 HydrophobicContact CZ-CB 3.75Å; F71-L107 WeakPolarHBondContact CZ-O 3.38Å; L103-L107 HydrophobicContact CG-CD1 4.43Å; L103-L107 WeakPolarHBondContact O-CG 3.45Å; L103-L107 PolarHBondContact O-N 3.26Å; V104-L107 PolarHBondContact O-N 3.3Å; V104-L107 VanDerWaalsContact O-N 3.13Å; Q105-L107 PolarHBondContact O-N 2.77Å; L107-R111 CarbonylContact O-C 3.59Å; L107-R111 VanDerWaalsContact O-C 3.29Å; L107-M112 WeakPolarHBondContact O-CA 3.4Å; L107-M112 PolarHBondContact O-N 2.86Å; L107-I198 HydrophobicContact CD2-CD1 3.67Å; L107-I198 HydrophobicContact CD2-CG1 3.83Å
108	C	65.9	Low	68.8	Low	20 Å²	20	55.5 Å²	55.5	14%	0.135	31%	0.309	C	S	.	.	I	π-helix	trans	-91	-32.7	-168.3	-65.7	0	0	0	0	114.9	C75 V104 Q105 M112	C75-C108 WeakPolarHBondContact CA-SG 3.48Å; C75-C108 HydrophobicContact CB-CB 3.46Å; C75-C108 VanDerWaalsContact CB-CB 3.46Å; C75-C108 WeakPolarHBondContact CB-SG 3.16Å; C75-C108 WeakPolarHBondContact SG-CA 3Å; C75-C108 WeakPolarHBondContact SG-CB 3.19Å; C75-C108 CovalentContact SG-SG 2.02Å; C75-C108 PolarHBondContact SG-SG 3.41Å; V104-C108 VanDerWaalsContact CG1-SG 3.56Å; V104-C108 WeakPolarHBondContact O-CB 3.42Å; V104-C108 PolarHBondContact O-N 2.96Å; V104-C108 PolarHBondContact O-SG 2.88Å; Q105-C108 PolarHBondContact O-N 3.13Å; C108-M112 VanDerWaalsContact O-CB 3.31Å; C108-M112 WeakPolarHBondContact O-CB 3.21Å
109	A	71.6	Confident	69.3	Low	79 Å²	79	53 Å²	53	65%	0.653	29%	0.293	S	S	*	.	I	π-helix	trans	-96.7	-50.6	178.7	0	0	0	0	0	111.2	Q105	Q105-A109 WeakPolarHBondContact O-CA 2.76Å; Q105-A109 WeakPolarHBondContact O-CB 3.2Å; Q105-A109 PolarHBondContact O-N 3.38Å
110	D	71.9	Confident	70	Confident	105 Å²	105	56.3 Å²	56.3	56%	0.561	31%	0.314	S	S	*	.	I	π-helix	trans	-88.9	-33.8	-169.4	-55.2	-35.5	0	0	0	113.1	F106	F106-D110 HydrophobicContact CD2-CB 4.06Å; F106-D110 WeakPolarHBondContact O-CB 3.47Å; F106-D110 PolarHBondContact O-N 3.46Å
111	R	71.4	Confident	71	Confident	77 Å²	77	55.9 Å²	55.9	29%	0.291	31%	0.308	S	S	.	.	S	Bend	trans	-120.2	5.5	-170.3	-67.8	-60.1	-173	-131.2	5.1	115	F106 L107 H113 T114 A115 L194 E197	F106-R111 HydrophobicContact CD2-CG 4.16Å; F106-R111 HydrophobicContact CE1-CG 3.94Å; F106-R111 HydrophobicContact CE2-CG 3.52Å; F106-R111 HydrophobicContact CZ-CB 4.46Å; F106-R111 HydrophobicContact CZ-CG 3.4Å; F106-R111 PolarHBondContact O-N 3.44Å; L107-R111 CarbonylContact O-C 3.59Å; L107-R111 VanDerWaalsContact O-C 3.29Å; R111-H113 PolarHBondContact O-N 3.38Å; R111-T114 CarbonylContact O-C 3.36Å; R111-T114 PolarHBondContact O-N 3.34Å; R111-A115 WeakPolarHBondContact O-CB 3.12Å; R111-A115 PolarHBondContact O-N 2.67Å; R111-L194 HydrophobicContact CB-CD1 3.78Å; R111-L194 HydrophobicContact CG-CD1 3.94Å; R111-E197 IonicContact CZ-OE1 2.63Å; R111-E197 IonicContact CZ-OE2 2.67Å; R111-E197 IonicContact NE-OE1 3.38Å; R111-E197 IonicContact NE-OE2 2.79Å; R111-E197 PolarHBondContact NE-OE2 2.95Å; R111-E197 VanDerWaalsContact NH2-CD 3.32Å; R111-E197 IonicContact NH2-OE1 3.18Å; R111-E197 PolarHBondContact NH2-OE1 3.5Å; R111-E197 IonicContact NH2-OE2 2.75Å; R111-E197 PolarHBondContact NH2-OE2 3.38Å; R111-E197 VanDerWaalsContact NH2-OE2 3.13Å
112	M	73.5	Confident	71.4	Confident	76 Å²	76	53.4 Å²	53.4	37%	0.374	30%	0.3	S	S	.	.	H	α-helix	trans	-53.3	-49.4	-171.6	174.4	176.4	75.9	0	0	112.8	F71 L107 C108 T114 A115 K116	F71-M112 HydrophobicContact CE1-CB 4.32Å; F71-M112 HydrophobicContact CE1-CG 4.05Å; L107-M112 WeakPolarHBondContact O-CA 3.4Å; L107-M112 PolarHBondContact O-N 2.86Å; C108-M112 VanDerWaalsContact O-CB 3.31Å; C108-M112 WeakPolarHBondContact O-CB 3.21Å; M112-T114 VanDerWaalsContact C-N 3.33Å; M112-T114 PolarHBondContact O-N 2.73Å; M112-A115 PolarHBondContact O-N 3.49Å; M112-K116 HydrophobicContact CG-CD 4.37Å; M112-K116 WeakPolarHBondContact O-CG 3.34Å; M112-K116 PolarHBondContact O-N 3.32Å
113	H	77.6	Confident	71.5	Confident	150 Å²	150	53.7 Å²	53.7	69%	0.694	29%	0.294	S	S	*	.	H	α-helix	trans	-62	-41.7	180	-175	68	0	0	0	112.3	R111 S117	R111-H113 PolarHBondContact O-N 3.38Å; H113-S117 WeakPolarHBondContact O-CB 3.05Å; H113-S117 PolarHBondContact O-N 2.92Å; H113-S117 PolarHBondContact O-OG 3.31Å; H113-S117 VanDerWaalsContact O-OG 3.09Å
114	T	74.3	Confident	72	Confident	42 Å²	42	57.8 Å²	57.8	26%	0.258	31%	0.312	S	S	.	.	H	α-helix	trans	-68.8	-39.6	178.2	-55.6	0	0	0	0	111.2	R111 M112 S117 N118 L194	R111-T114 CarbonylContact O-C 3.36Å; R111-T114 PolarHBondContact O-N 3.34Å; M112-T114 VanDerWaalsContact C-N 3.33Å; M112-T114 PolarHBondContact O-N 2.73Å; T114-S117 PolarHBondContact O-OG 2.79Å; T114-S117 VanDerWaalsContact O-OG 3.13Å; T114-N118 WeakPolarHBondContact O-CB 3.43Å; T114-N118 PolarHBondContact O-N 3.41Å; T114-N118 VanDerWaalsContact O-N 3.17Å; T114-N118 PolarHBondContact O-ND2 3Å; T114-L194 HydrophobicContact CG2-CB 4.21Å; T114-L194 HydrophobicContact CG2-CD2 4.28Å
115	A	70.4	Confident	72.2	Confident	5 Å²	5	56.6 Å²	56.6	4%	0.041	30%	0.304	C	S	.	.	H	α-helix	trans	-61.8	-51.2	175.5	0	0	0	0	0	110.7	F71 R111 M112 S117 N118 T119 L194	F71-A115 HydrophobicContact CE1-CB 4.22Å; F71-A115 HydrophobicContact CE2-CB 4.33Å; F71-A115 HydrophobicContact CZ-CB 3.8Å; R111-A115 WeakPolarHBondContact O-CB 3.12Å; R111-A115 PolarHBondContact O-N 2.67Å; M112-A115 PolarHBondContact O-N 3.49Å; A115-S117 PolarHBondContact O-N 2.73Å; A115-N118 PolarHBondContact O-N 3.5Å; A115-T119 WeakPolarHBondContact O-CB 3.15Å; A115-T119 PolarHBondContact O-N 3.07Å; A115-T119 PolarHBondContact O-OG1 3.39Å; A115-L194 HydrophobicContact CB-CD2 4.09Å
116	K	72.7	Confident	72.2	Confident	60 Å²	60	54.7 Å²	54.7	26%	0.261	30%	0.295	S	S	.	.	H	α-helix	trans	-58.5	-46.9	178.5	-72.5	-169.6	-179.7	-167.9	0	112.9	I68 D72 M112 N118 P120	I68-K116 HydrophobicContact CG2-CD 3.84Å; I68-K116 HydrophobicContact CG2-CG 3.97Å; D72-K116 WeakPolarHBondContact OD1-CE 3.09Å; D72-K116 IonicContact OD1-NZ 2.76Å; D72-K116 PolarHBondContact OD1-NZ 2.88Å; D72-K116 IonicContact OD2-NZ 2.94Å; D72-K116 PolarHBondContact OD2-NZ 3.46Å; M112-K116 HydrophobicContact CG-CD 4.37Å; M112-K116 WeakPolarHBondContact O-CG 3.34Å; M112-K116 PolarHBondContact O-N 3.32Å; K116-N118 VanDerWaalsContact C-N 3.33Å; K116-N118 PolarHBondContact O-N 2.8Å; K116-P120 WeakPolarHBondContact O-CD 3.38Å
117	S	80	Confident	71.8	Confident	72 Å²	72	58 Å²	58	50%	0.503	31%	0.313	S	S	.	.	H	α-helix	trans	-67.2	-31.9	-177.1	61	0	0	0	0	113.4	H113 T114 A115	H113-S117 WeakPolarHBondContact O-CB 3.05Å; H113-S117 PolarHBondContact O-N 2.92Å; H113-S117 PolarHBondContact O-OG 3.31Å; H113-S117 VanDerWaalsContact O-OG 3.09Å; T114-S117 PolarHBondContact O-OG 2.79Å; T114-S117 VanDerWaalsContact O-OG 3.13Å; A115-S117 PolarHBondContact O-N 2.73Å
118	N	76.2	Confident	71.6	Confident	21 Å²	21	61.7 Å²	61.7	11%	0.112	33%	0.33	C	S	.	.	H	α-helix	trans	-94.9	-16	-177.8	-68.3	-77.6	0	0	0	113.9	T114 A115 K116 C121 L122 A191	T114-N118 WeakPolarHBondContact O-CB 3.43Å; T114-N118 PolarHBondContact O-N 3.41Å; T114-N118 VanDerWaalsContact O-N 3.17Å; T114-N118 PolarHBondContact O-ND2 3Å; A115-N118 PolarHBondContact O-N 3.5Å; K116-N118 VanDerWaalsContact C-N 3.33Å; K116-N118 PolarHBondContact O-N 2.8Å; N118-C121 PolarHBondContact O-N 2.96Å; N118-L122 HydrophobicContact CB-CD1 4.28Å; N118-L122 WeakPolarHBondContact O-CB 3.08Å; N118-L122 WeakPolarHBondContact O-CG 3.43Å; N118-L122 PolarHBondContact O-N 2.91Å; N118-A191 HydrophobicContact CB-CB 3.94Å; N118-A191 WeakPolarHBondContact OD1-CB 3.4Å; N118-A191 PolarHBondContact OD1-N 3.22Å
119	T	73.2	Confident	71	Confident	19 Å²	19	63.4 Å²	63.4	12%	0.117	33%	0.333	C	S	.	.	H	α-helix	trans	-55.3	-45.1	-176.7	-70.7	0	0	0	0	113.2	L66 A115 C121 L122 K123	L66-T119 HydrophobicContact CB-CG2 4.1Å; A115-T119 WeakPolarHBondContact O-CB 3.15Å; A115-T119 PolarHBondContact O-N 3.07Å; A115-T119 PolarHBondContact O-OG1 3.39Å; T119-C121 PolarHBondContact O-N 3.47Å; T119-L122 PolarHBondContact O-N 3.12Å; T119-K123 VanDerWaalsContact O-CB 3.27Å; T119-K123 WeakPolarHBondContact O-CB 3.4Å; T119-K123 PolarHBondContact O-N 3.35Å
120	P	75.7	Confident	69.9	Low	81 Å²	81	62.1 Å²	62.1	53%	0.526	33%	0.328	S	S	.	.	H	α-helix	trans	-58.5	-44.4	178.8	-25.9	35.5	0	0	0	113.2	K116 Q124	K116-P120 WeakPolarHBondContact O-CD 3.38Å; P120-Q124 PolarHBondContact O-N 3.49Å; P120-Q124 VanDerWaalsContact O-N 3.13Å
121	C	79	Confident	69.2	Low	37 Å²	37	65.7 Å²	65.7	25%	0.25	34%	0.339	C	S	.	.	H	α-helix	trans	-68.7	-46.5	178.2	-175.6	0	0	0	0	111.7	N118 T119 K123 Q124 L125 R186 C187	N118-C121 PolarHBondContact O-N 2.96Å; T119-C121 PolarHBondContact O-N 3.47Å; C121-K123 VanDerWaalsContact C-N 3.28Å; C121-K123 PolarHBondContact O-N 3.19Å; C121-Q124 PolarHBondContact O-N 3Å; C121-L125 WeakPolarHBondContact O-CB 3.48Å; C121-L125 PolarHBondContact O-N 3.46Å; C121-R186 PolarHBondContact SG-O 3.05Å; C121-R186 VanDerWaalsContact SG-O 3.41Å; C121-C187 HydrophobicContact CB-CB 3.77Å; C121-C187 WeakPolarHBondContact CB-SG 3.22Å; C121-C187 WeakPolarHBondContact SG-CA 3.49Å; C121-C187 WeakPolarHBondContact SG-CB 3.18Å; C121-C187 CovalentContact SG-SG 2.04Å; C121-C187 PolarHBondContact SG-SG 3.23Å
122	L	71.6	Confident	68.8	Low	18 Å²	18	68 Å²	68	9%	0.094	35%	0.351	C	S	.	.	H	α-helix	trans	-56.8	-44.6	177.5	-75	177.6	0	0	0	110.9	N118 T119 Q124 L125 F126 V183 A191	N118-L122 HydrophobicContact CB-CD1 4.28Å; N118-L122 WeakPolarHBondContact O-CB 3.08Å; N118-L122 WeakPolarHBondContact O-CG 3.43Å; N118-L122 PolarHBondContact O-N 2.91Å; T119-L122 PolarHBondContact O-N 3.12Å; L122-Q124 PolarHBondContact O-N 3.28Å; L122-L125 WeakPolarHBondContact O-CB 3.32Å; L122-L125 PolarHBondContact O-N 2.85Å; L122-F126 HydrophobicContact CB-CD2 4.23Å; L122-F126 HydrophobicContact CB-CE2 4.03Å; L122-F126 HydrophobicContact CD2-CE2 4.45Å; L122-F126 WeakPolarHBondContact O-CB 3.45Å; L122-F126 WeakPolarHBondContact O-CD2 3.08Å; L122-F126 WeakPolarHBondContact O-CG 3.44Å; L122-F126 PolarHBondContact O-N 2.95Å; L122-V183 HydrophobicContact CD2-CG1 3.66Å; L122-V183 HydrophobicContact CD2-CG2 4.08Å; L122-A191 HydrophobicContact CD2-CB 4.27Å; L122-A191 HydrophobicContact CG-CB 4.46Å
123	K	69.1	Low	68.6	Low	65 Å²	65	64.6 Å²	64.6	28%	0.283	34%	0.335	S	S	.	.	H	α-helix	trans	-59	-47.1	176.5	-171.6	179	-173.5	179.3	0	112.1	G61 N65 T119 C121 L125 F126 N127	G61-K123 VanDerWaalsContact O-CE 3.27Å; G61-K123 WeakPolarHBondContact O-CE 3.06Å; N65-K123 PolarHBondContact OD1-NZ 3Å; T119-K123 VanDerWaalsContact O-CB 3.27Å; T119-K123 WeakPolarHBondContact O-CB 3.4Å; T119-K123 PolarHBondContact O-N 3.35Å; C121-K123 VanDerWaalsContact C-N 3.28Å; C121-K123 PolarHBondContact O-N 3.19Å; K123-L125 VanDerWaalsContact C-N 3.3Å; K123-L125 PolarHBondContact O-N 3.37Å; K123-F126 PolarHBondContact O-N 2.7Å; K123-N127 PolarHBondContact O-N 3.31Å; K123-N127 PolarHBondContact O-ND2 2.88Å
124	Q	72.7	Confident	68	Low	122 Å²	122	60.1 Å²	60.1	57%	0.57	32%	0.315	S	S	*	.	H	α-helix	trans	-61	-40.9	176.1	-170.6	-179.1	8.9	0	0	111.5	P120 C121 L122 N127 Q128	P120-Q124 PolarHBondContact O-N 3.49Å; P120-Q124 VanDerWaalsContact O-N 3.13Å; C121-Q124 PolarHBondContact O-N 3Å; L122-Q124 PolarHBondContact O-N 3.28Å; Q124-N127 PolarHBondContact O-N 3.41Å; Q124-Q128 WeakPolarHBondContact O-CG 3.26Å; Q124-Q128 PolarHBondContact O-N 3.25Å
125	L	67.9	Low	67.9	Low	10 Å²	10	63.2 Å²	63.2	5%	0.052	33%	0.334	C	S	.	.	H	α-helix	trans	-67.6	-40.8	178	-173.1	62.7	0	0	0	112.4	C121 L122 K123 N127 Q128 R129 F179 T182 V183	C121-L125 WeakPolarHBondContact O-CB 3.48Å; C121-L125 PolarHBondContact O-N 3.46Å; L122-L125 WeakPolarHBondContact O-CB 3.32Å; L122-L125 PolarHBondContact O-N 2.85Å; K123-L125 VanDerWaalsContact C-N 3.3Å; K123-L125 PolarHBondContact O-N 3.37Å; L125-N127 VanDerWaalsContact C-N 3.3Å; L125-N127 PolarHBondContact O-N 2.72Å; L125-Q128 CarbonylContact O-C 3.52Å; L125-Q128 PolarHBondContact O-N 3.06Å; L125-Q128 VanDerWaalsContact O-N 3.14Å; L125-R129 PolarHBondContact O-N 3.46Å; L125-R129 VanDerWaalsContact O-N 3.11Å; L125-F179 HydrophobicContact CD2-CE2 3.93Å; L125-F179 HydrophobicContact CD2-CZ 3.81Å; L125-F179 HydrophobicContact CG-CE2 3.94Å; L125-F179 HydrophobicContact CG-CZ 4.03Å; L125-T182 HydrophobicContact CD1-CG2 4Å; L125-T182 HydrophobicContact CD2-CG2 4.44Å; L125-V183 HydrophobicContact CD2-CB 4.23Å; L125-V183 HydrophobicContact CD2-CG2 3.61Å
126	F	65.6	Low	68.1	Low	46 Å²	46	69.8 Å²	69.8	20%	0.202	36%	0.362	C	S	.	.	H	α-helix	trans	-62.8	-36.6	174.6	-77.1	-62.5	0	0	0	111.9	I60 L122 K123 Q128 R129 F179	I60-F126 HydrophobicContact CG2-CB 4.21Å; I60-F126 HydrophobicContact CG2-CD1 3.87Å; I60-F126 HydrophobicContact CG2-CG 4.13Å; L122-F126 HydrophobicContact CB-CD2 4.23Å; L122-F126 HydrophobicContact CB-CE2 4.03Å; L122-F126 HydrophobicContact CD2-CE2 4.45Å; L122-F126 WeakPolarHBondContact O-CB 3.45Å; L122-F126 WeakPolarHBondContact O-CD2 3.08Å; L122-F126 WeakPolarHBondContact O-CG 3.44Å; L122-F126 PolarHBondContact O-N 2.95Å; K123-F126 PolarHBondContact O-N 2.7Å; F126-Q128 VanDerWaalsContact C-N 3.3Å; F126-Q128 PolarHBondContact O-N 3.34Å; F126-R129 VanDerWaalsContact CE1-NH1 3.26Å; F126-R129 WeakPolarHBondContact O-CB 3.43Å; F126-R129 PolarHBondContact O-N 2.92Å; F126-F179 HydrophobicContact CD1-CE1 4.27Å; F126-F179 HydrophobicContact CD1-CE2 4.39Å; F126-F179 AromaticContact CD1-CZ 3.71Å; F126-F179 HydrophobicContact CD1-CZ 3.71Å; F126-F179 HydrophobicContact CE1-CD1 4.37Å; F126-F179 AromaticContact CE1-CE1 3.4Å; F126-F179 HydrophobicContact CE1-CE1 3.4Å; F126-F179 VanDerWaalsContact CE1-CE1 3.4Å; F126-F179 HydrophobicContact CE1-CE2 4.22Å; F126-F179 AromaticContact CE1-CZ 3.3Å; F126-F179 HydrophobicContact CE1-CZ 3.3Å; F126-F179 HydrophobicContact CE2-CE1 4.35Å; F126-F179 HydrophobicContact CE2-CZ 4.32Å; F126-F179 HydrophobicContact CG-CZ 4.33Å; F126-F179 AromaticContact CZ-CE1 3.44Å; F126-F179 HydrophobicContact CZ-CE1 3.44Å; F126-F179 VanDerWaalsContact CZ-CE1 3.44Å; F126-F179 AromaticContact CZ-CZ 3.65Å; F126-F179 HydrophobicContact CZ-CZ 3.65Å
127	N	60.6	Low	68.3	Low	81 Å²	81	67 Å²	67	43%	0.433	35%	0.35	S	S	.	.	H	α-helix	trans	-66.3	-30.9	173.3	-77.5	-33.6	0	0	0	113	G61 S62 K123 Q124 L125 R129	G61-N127 WeakPolarHBondContact CA-OD1 3.31Å; G61-N127 PolarHBondContact N-OD1 3.03Å; G61-N127 PolarHBondContact O-ND2 3.39Å; G61-N127 PolarHBondContact O-OD1 3.35Å; S62-N127 PolarHBondContact N-OD1 3.14Å; K123-N127 PolarHBondContact O-N 3.31Å; K123-N127 PolarHBondContact O-ND2 2.88Å; Q124-N127 PolarHBondContact O-N 3.41Å; L125-N127 VanDerWaalsContact C-N 3.3Å; L125-N127 PolarHBondContact O-N 2.72Å; N127-R129 VanDerWaalsContact C-N 3.35Å
128	Q	62.1	Low	68.2	Low	109 Å²	109	72.3 Å²	72.3	51%	0.509	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-6	176	-66	177.3	9.5	0	0	113.6	Q124 L125 F126 G130	Q124-Q128 WeakPolarHBondContact O-CG 3.26Å; Q124-Q128 PolarHBondContact O-N 3.25Å; L125-Q128 CarbonylContact O-C 3.52Å; L125-Q128 PolarHBondContact O-N 3.06Å; L125-Q128 VanDerWaalsContact O-N 3.14Å; F126-Q128 VanDerWaalsContact C-N 3.3Å; F126-Q128 PolarHBondContact O-N 3.34Å; Q128-G130 VanDerWaalsContact C-N 3.33Å; Q128-G130 PolarHBondContact O-N 2.85Å
129	R	54.8	Low	68.5	Low	56 Å²	56	78.6 Å²	78.6	21%	0.211	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-67.1	-24.2	-163.8	-169	172.7	-175.9	-162.1	7.6	115.4	L125 F126 N127 K131 F179	L125-R129 PolarHBondContact O-N 3.46Å; L125-R129 VanDerWaalsContact O-N 3.11Å; F126-R129 VanDerWaalsContact CE1-NH1 3.26Å; F126-R129 WeakPolarHBondContact O-CB 3.43Å; F126-R129 PolarHBondContact O-N 2.92Å; N127-R129 VanDerWaalsContact C-N 3.35Å; R129-K131 PolarHBondContact O-N 2.94Å; R129-F179 HydrophobicContact CG-CD2 4.31Å; R129-F179 HydrophobicContact CG-CE2 4Å
130	G	48.6	Very low	68.7	Low	53 Å²	53	79.6 Å²	79.6	55%	0.546	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-57.8	-11.8	-155.6	0	0	0	0	0	118	Q128 L134	Q128-G130 VanDerWaalsContact C-N 3.33Å; Q128-G130 PolarHBondContact O-N 2.85Å; G130-L134 VanDerWaalsContact O-CD1 3.28Å; G130-L134 WeakPolarHBondContact O-CD1 3.36Å
131	K	56.4	Low	68.6	Low	180 Å²	180	77.9 Å²	77.9	78%	0.783	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-126	-25.3	-173.6	-64.6	-176.3	-179.9	178.8	0	116.3	R129 T135	R129-K131 PolarHBondContact O-N 2.94Å; K131-T135 PolarHBondContact O-OG1 3.31Å; K131-T135 VanDerWaalsContact O-OG1 3.12Å
132	F	62.3	Low	68.4	Low	126 Å²	126	82.1 Å²	82.1	55%	0.553	39%	0.389	S	S	*	.	H	α-helix	trans	-76.1	-54.5	-167.2	-175.2	-107.3	0	0	0	113.5	C178	F132-C178 VanDerWaalsContact CD1-SG 3.55Å
133	C	69	Low	68.6	Low	4 Å²	4	85 Å²	85	3%	0.027	40%	0.401	C	S	.	.	H	α-helix	trans	-81.5	-30.3	-175.2	-64.6	0	0	0	0	113.6	T135 K136 C137 M175 C178	C133-T135 VanDerWaalsContact C-N 3.26Å; C133-T135 PolarHBondContact O-N 2.96Å; C133-K136 PolarHBondContact O-N 2.9Å; C133-K136 VanDerWaalsContact O-N 3.13Å; C133-C137 WeakPolarHBondContact O-CB 3.46Å; C133-C137 PolarHBondContact O-N 3.41Å; C133-M175 HydrophobicContact CB-CE 3.93Å; C133-M175 HydrophobicContact CB-SD 3.76Å; C133-C178 WeakPolarHBondContact CA-SG 3.25Å; C133-C178 HydrophobicContact CB-CB 3.7Å; C133-C178 WeakPolarHBondContact CB-SG 3.48Å; C133-C178 VanDerWaalsContact SG-C 3.55Å; C133-C178 WeakPolarHBondContact SG-CB 3.44Å; C133-C178 CovalentContact SG-SG 2.04Å; C133-C178 PolarHBondContact SG-SG 3.21Å
134	L	66	Low	68.7	Low	55 Å²	55	82.3 Å²	82.3	29%	0.288	39%	0.39	S	S	.	.	H	α-helix	trans	-56.6	-42.8	178.4	-67.7	-177.1	0	0	0	111.3	G130 K136 C137 R138 Y171 M175	G130-L134 VanDerWaalsContact O-CD1 3.28Å; G130-L134 WeakPolarHBondContact O-CD1 3.36Å; L134-K136 PolarHBondContact O-N 3.41Å; L134-C137 CarbonylContact O-C 3.51Å; L134-C137 PolarHBondContact O-N 3.45Å; L134-R138 WeakPolarHBondContact O-CA 3.07Å; L134-R138 WeakPolarHBondContact O-CB 3.27Å; L134-R138 PolarHBondContact O-N 2.9Å; L134-Y171 WeakPolarHBondContact CD2-OH 3.27Å; L134-M175 HydrophobicContact CD2-CE 4.27Å; L134-M175 HydrophobicContact CD2-SD 4.43Å
135	T	72.1	Confident	68.4	Low	107 Å²	107	78.5 Å²	78.5	66%	0.656	37%	0.372	S	S	*	.	H	α-helix	trans	-60.6	-43.3	178.4	-53.4	0	0	0	0	112.2	K131 C133	K131-T135 PolarHBondContact O-OG1 3.31Å; K131-T135 VanDerWaalsContact O-OG1 3.12Å; C133-T135 VanDerWaalsContact C-N 3.26Å; C133-T135 PolarHBondContact O-N 2.96Å
136	K	74.8	Confident	68.6	Low	143 Å²	143	82.5 Å²	82.5	62%	0.622	39%	0.39	S	S	*	.	H	α-helix	trans	-70	-35.1	178.4	-69.6	-172.1	176.1	-173	0	112.6	C133 L134	C133-K136 PolarHBondContact O-N 2.9Å; C133-K136 VanDerWaalsContact O-N 3.13Å; L134-K136 PolarHBondContact O-N 3.41Å
137	C	77.5	Confident	68.6	Low	1 Å²	1	81 Å²	81	1%	0.007	39%	0.385	C	S	.	.	H	α-helix	trans	-97.1	3.9	-175.6	-61.6	0	0	0	0	114.2	C133 L134 K139 N140 E141 Y171 C174 M175	C133-C137 WeakPolarHBondContact O-CB 3.46Å; C133-C137 PolarHBondContact O-N 3.41Å; L134-C137 CarbonylContact O-C 3.51Å; L134-C137 PolarHBondContact O-N 3.45Å; C137-K139 PolarHBondContact O-N 2.99Å; C137-K139 VanDerWaalsContact O-N 3.12Å; C137-N140 PolarHBondContact O-N 3.13Å; C137-E141 PolarHBondContact O-N 3.12Å; C137-Y171 HydrophobicContact CB-CD2 4.36Å; C137-Y171 HydrophobicContact CB-CE2 4.15Å; C137-C174 WeakPolarHBondContact CA-SG 3.2Å; C137-C174 HydrophobicContact CB-CB 3.88Å; C137-C174 WeakPolarHBondContact CB-SG 3.39Å; C137-C174 WeakPolarHBondContact SG-CB 3.43Å; C137-C174 PolarHBondContact SG-O 3.44Å; C137-C174 VanDerWaalsContact SG-O 3.35Å; C137-C174 CovalentContact SG-SG 2.04Å; C137-C174 PolarHBondContact SG-SG 3.39Å; C137-M175 HydrophobicContact CB-CG 4.48Å; C137-M175 HydrophobicContact CB-SD 3.99Å
138	R	77.6	Confident	68.7	Low	184 Å²	184	77.2 Å²	77.2	69%	0.694	37%	0.366	S	S	*	.	H	α-helix	trans	-52.4	-38.1	-174.7	-170	176.4	-178.9	-178.2	0.6	113.6	L134 E141 F142	L134-R138 WeakPolarHBondContact O-CA 3.07Å; L134-R138 WeakPolarHBondContact O-CB 3.27Å; L134-R138 PolarHBondContact O-N 2.9Å; R138-E141 PolarHBondContact O-N 3.23Å; R138-F142 WeakPolarHBondContact O-CB 3.29Å; R138-F142 PolarHBondContact O-N 3.48Å
139	K	82.2	Confident	68.7	Low	154 Å²	154	77.6 Å²	77.6	67%	0.67	37%	0.367	S	S	*	.	H	α-helix	trans	-63.8	-41.5	177.5	-173.9	178.4	-177.5	177.3	0	112.2	C137 K143	C137-K139 PolarHBondContact O-N 2.99Å; C137-K139 VanDerWaalsContact O-N 3.12Å; K139-K143 WeakPolarHBondContact O-CG 3.19Å; K139-K143 PolarHBondContact O-N 3.23Å
140	N	76.9	Confident	68.9	Low	40 Å²	40	78 Å²	78	21%	0.214	37%	0.373	C	S	.	.	H	α-helix	trans	-75.5	-34.4	177.9	-69.2	-22.1	0	0	0	111.2	C137 K143 L144 Y171	C137-N140 PolarHBondContact O-N 3.13Å; N140-K143 PolarHBondContact O-N 3.15Å; N140-L144 WeakPolarHBondContact O-CB 3.35Å; N140-L144 PolarHBondContact O-N 2.72Å; N140-Y171 HydrophobicContact CB-CD2 4.26Å
141	E	73.4	Confident	69.4	Low	44 Å²	44	77.1 Å²	77.1	21%	0.206	35%	0.354	C	S	.	.	H	α-helix	trans	-60.6	-47.7	172.5	-169.6	-172.9	178	0	0	111.5	C137 R138 K143 L144 Q145 Y171	C137-E141 PolarHBondContact O-N 3.12Å; R138-E141 PolarHBondContact O-N 3.23Å; E141-K143 PolarHBondContact O-N 3.13Å; E141-L144 WeakPolarHBondContact O-CB 3.36Å; E141-L144 PolarHBondContact O-N 3.43Å; E141-Q145 WeakPolarHBondContact O-CG 2.86Å; E141-Q145 PolarHBondContact O-N 2.88Å; E141-Q145 PolarHBondContact OE1-NE2 2.64Å; E141-Y171 HydrophobicContact CB-CD2 3.97Å; E141-Y171 HydrophobicContact CB-CE2 3.67Å; E141-Y171 HydrophobicContact CG-CE2 4.03Å
142	F	74.4	Confident	69.3	Low	126 Å²	126	71 Å²	71	55%	0.553	33%	0.33	S	S	*	.	H	α-helix	trans	-59.4	-46.8	177.7	-178.2	-92.9	0	0	0	111.6	R138 L144 Q145 E146	R138-F142 WeakPolarHBondContact O-CB 3.29Å; R138-F142 PolarHBondContact O-N 3.48Å; F142-L144 VanDerWaalsContact C-N 3.31Å; F142-L144 PolarHBondContact O-N 2.89Å; F142-Q145 PolarHBondContact O-N 3.47Å; F142-E146 WeakPolarHBondContact O-CB 2.98Å; F142-E146 PolarHBondContact O-N 3.38Å
143	K	75.8	Confident	69.1	Low	79 Å²	79	72.4 Å²	72.4	34%	0.343	34%	0.342	S	S	.	.	H	α-helix	trans	-60.6	-40.1	176.4	-74.1	-177.8	175.8	-165.9	0	112.8	K139 N140 E141 S147 N167	K139-K143 WeakPolarHBondContact O-CG 3.19Å; K139-K143 PolarHBondContact O-N 3.23Å; N140-K143 PolarHBondContact O-N 3.15Å; E141-K143 PolarHBondContact O-N 3.13Å; K143-S147 WeakPolarHBondContact O-CB 3.44Å; K143-S147 PolarHBondContact O-N 3.34Å; K143-S147 PolarHBondContact O-OG 3.18Å; K143-N167 PolarHBondContact O-ND2 3.33Å; K143-N167 VanDerWaalsContact O-ND2 3.17Å
144	L	71.3	Confident	68.5	Low	8 Å²	8	75.8 Å²	75.8	4%	0.042	36%	0.36	C	S	.	.	H	α-helix	trans	-60.6	-53	173.9	174.1	58.1	0	0	0	110.1	N140 E141 F142 E146 S147 S148 N167 V168 Y171	N140-L144 WeakPolarHBondContact O-CB 3.35Å; N140-L144 PolarHBondContact O-N 2.72Å; E141-L144 WeakPolarHBondContact O-CB 3.36Å; E141-L144 PolarHBondContact O-N 3.43Å; F142-L144 VanDerWaalsContact C-N 3.31Å; F142-L144 PolarHBondContact O-N 2.89Å; L144-E146 VanDerWaalsContact C-N 3.33Å; L144-E146 PolarHBondContact O-N 3.45Å; L144-S147 PolarHBondContact O-N 2.67Å; L144-S147 PolarHBondContact O-OG 2.02Å; L144-S148 VanDerWaalsContact O-CB 3.31Å; L144-S148 WeakPolarHBondContact O-CB 3.3Å; L144-S148 PolarHBondContact O-N 3.26Å; L144-S148 PolarHBondContact O-OG 3.45Å; L144-N167 HydrophobicContact CB-CB 4.24Å; L144-N167 HydrophobicContact CD1-CB 4.26Å; L144-V168 HydrophobicContact CD1-CB 4.36Å; L144-V168 HydrophobicContact CD1-CG2 3.45Å; L144-V168 VanDerWaalsContact CD1-CG2 3.45Å; L144-Y171 HydrophobicContact CD2-CD1 3.76Å; L144-Y171 HydrophobicContact CD2-CE1 4.46Å; L144-Y171 HydrophobicContact CD2-CG 4.08Å
145	Q	67	Low	67.8	Low	43 Å²	43	81.1 Å²	81.1	20%	0.201	38%	0.376	C	S	.	.	H	α-helix	trans	-57.2	-45.2	179.4	-70.2	178.9	0.4	0	0	112.3	E141 F142 S148 Q149	E141-Q145 WeakPolarHBondContact O-CG 2.86Å; E141-Q145 PolarHBondContact O-N 2.88Å; E141-Q145 PolarHBondContact OE1-NE2 2.64Å; F142-Q145 PolarHBondContact O-N 3.47Å; Q145-S148 PolarHBondContact O-N 3.44Å; Q145-Q149 WeakPolarHBondContact O-CB 3.28Å; Q145-Q149 VanDerWaalsContact O-CG 3.29Å; Q145-Q149 WeakPolarHBondContact O-CG 3.36Å; Q145-Q149 PolarHBondContact O-N 3.18Å
146	E	71.4	Confident	66.9	Low	93 Å²	93	84.6 Å²	84.6	44%	0.435	39%	0.385	S	S	.	.	H	α-helix	trans	-61.4	-53	177	-177.6	178.4	-153.5	0	0	111.4	F142 L144 S148 Q149 I150	F142-E146 WeakPolarHBondContact O-CB 2.98Å; F142-E146 PolarHBondContact O-N 3.38Å; L144-E146 VanDerWaalsContact C-N 3.33Å; L144-E146 PolarHBondContact O-N 3.45Å; E146-S148 VanDerWaalsContact C-N 3.27Å; E146-S148 PolarHBondContact O-N 3.39Å; E146-Q149 PolarHBondContact O-N 3.4Å; E146-I150 HydrophobicContact CG-CD1 4Å; E146-I150 VanDerWaalsContact O-CG1 3.29Å; E146-I150 WeakPolarHBondContact O-CG1 3.38Å; E146-I150 PolarHBondContact O-N 2.63Å
147	S	66.1	Low	66	Low	14 Å²	14	78.9 Å²	78.9	10%	0.098	36%	0.364	C	S	.	.	H	α-helix	trans	-62	-36.5	179.2	59.8	0	0	0	0	112.8	K143 L144 I150 F151 V164 N167	K143-S147 WeakPolarHBondContact O-CB 3.44Å; K143-S147 PolarHBondContact O-N 3.34Å; K143-S147 PolarHBondContact O-OG 3.18Å; L144-S147 PolarHBondContact O-N 2.67Å; L144-S147 PolarHBondContact O-OG 2.02Å; S147-I150 PolarHBondContact O-N 2.94Å; S147-F151 WeakPolarHBondContact O-CB 3.08Å; S147-F151 PolarHBondContact O-N 2.02Å; S147-V164 VanDerWaalsContact O-CG2 3.27Å; S147-V164 WeakPolarHBondContact O-CG2 3.5Å; S147-N167 WeakPolarHBondContact CB-ND2 3.1Å; S147-N167 PolarHBondContact OG-ND2 2.84Å
148	S	64.1	Low	65	Low	3 Å²	3	83.5 Å²	83.5	2%	0.021	39%	0.394	C	S	.	.	H	α-helix	trans	-68.4	-41.6	177.2	-67.5	0	0	0	0	111.6	H48 L144 Q145 E146 I150 F151 L152	H48-S148 PolarHBondContact CD2-OG 3.26Å; H48-S148 PolarHBondContact CE1-OG 3.48Å; H48-S148 WeakPolarHBondContact NE2-CB 3.4Å; H48-S148 PolarHBondContact NE2-OG 2.9Å; L144-S148 VanDerWaalsContact O-CB 3.31Å; L144-S148 WeakPolarHBondContact O-CB 3.3Å; L144-S148 PolarHBondContact O-N 3.26Å; L144-S148 PolarHBondContact O-OG 3.45Å; Q145-S148 PolarHBondContact O-N 3.44Å; E146-S148 VanDerWaalsContact C-N 3.27Å; E146-S148 PolarHBondContact O-N 3.39Å; S148-I150 VanDerWaalsContact C-N 3.32Å; S148-I150 PolarHBondContact O-N 3.07Å; S148-F151 PolarHBondContact O-N 3.38Å; S148-L152 WeakPolarHBondContact O-CB 2.93Å; S148-L152 WeakPolarHBondContact O-CG 3.43Å; S148-L152 PolarHBondContact O-N 2.9Å
149	Q	60.3	Low	64.4	Low	116 Å²	116	80.6 Å²	80.6	54%	0.542	39%	0.393	S	S	.	.	H	α-helix	trans	-60.2	-43.8	173.3	-76.3	175.8	2.1	0	0	111.4	Q145 E146 L152 L153	Q145-Q149 WeakPolarHBondContact O-CB 3.28Å; Q145-Q149 VanDerWaalsContact O-CG 3.29Å; Q145-Q149 WeakPolarHBondContact O-CG 3.36Å; Q145-Q149 PolarHBondContact O-N 3.18Å; E146-Q149 PolarHBondContact O-N 3.4Å; Q149-L152 WeakPolarHBondContact O-CB 3.46Å; Q149-L152 PolarHBondContact O-N 2.75Å; Q149-L153 WeakPolarHBondContact O-CG 3.37Å; Q149-L153 PolarHBondContact O-N 3.41Å
150	I	60.2	Low	63.5	Low	66 Å²	66	76.4 Å²	76.4	34%	0.338	38%	0.377	S	S	.	.	H	α-helix	trans	-62.7	-46.4	177.7	-65.6	166.6	0	0	0	110.8	E146 S147 S148 L152 L153 D154 M160	E146-I150 HydrophobicContact CG-CD1 4Å; E146-I150 VanDerWaalsContact O-CG1 3.29Å; E146-I150 WeakPolarHBondContact O-CG1 3.38Å; E146-I150 PolarHBondContact O-N 2.63Å; S147-I150 PolarHBondContact O-N 2.94Å; S148-I150 VanDerWaalsContact C-N 3.32Å; S148-I150 PolarHBondContact O-N 3.07Å; I150-L152 VanDerWaalsContact C-N 3.27Å; I150-L152 PolarHBondContact O-N 2.95Å; I150-L153 PolarHBondContact O-N 3.09Å; I150-L153 VanDerWaalsContact O-N 3.12Å; I150-D154 PolarHBondContact O-N 3.45Å; I150-M160 HydrophobicContact CG2-CE 3.21Å; I150-M160 HydrophobicContact CG2-CG 4.5Å; I150-M160 HydrophobicContact CG2-SD 3.46Å; I150-M160 WeakPolarHBondContact CG2-SD 2.9Å
151	F	58.7	Low	62.9	Low	33 Å²	33	78.4 Å²	78.4	15%	0.145	38%	0.383	C	S	.	.	H	α-helix	trans	-62	-33.4	175.9	177.3	-101.5	0	0	0	113.1	A44 S147 S148 L153 D154 R155 M160 K161 V164	A44-F151 HydrophobicContact CB-CE1 4.42Å; S147-F151 WeakPolarHBondContact O-CB 3.08Å; S147-F151 PolarHBondContact O-N 2.02Å; S148-F151 PolarHBondContact O-N 3.38Å; F151-L153 VanDerWaalsContact C-N 3.34Å; F151-D154 CarbonylContact O-C 3.58Å; F151-R155 PolarHBondContact O-N 3.18Å; F151-M160 HydrophobicContact CB-CB 4.44Å; F151-M160 HydrophobicContact CD2-CB 3.91Å; F151-K161 HydrophobicContact CD2-CB 4.49Å; F151-K161 HydrophobicContact CE2-CB 3.89Å; F151-K161 HydrophobicContact CE2-CG 4.49Å; F151-V164 HydrophobicContact CB-CG2 3.47Å; F151-V164 VanDerWaalsContact CB-CG2 3.47Å; F151-V164 HydrophobicContact CD2-CG2 4.49Å; F151-V164 HydrophobicContact CG-CG2 3.94Å
152	L	54.5	Low	62.7	Low	51 Å²	51	79.7 Å²	79.7	27%	0.267	39%	0.389	S	S	.	.	H	α-helix	trans	-68	-34.7	174.9	-72.7	173.9	0	0	0	112.7	K45 S148 Q149 I150	K45-L152 HydrophobicContact CB-CD2 3.96Å; K45-L152 HydrophobicContact CD-CD2 3.34Å; K45-L152 HydrophobicContact CG-CD2 3.5Å; S148-L152 WeakPolarHBondContact O-CB 2.93Å; S148-L152 WeakPolarHBondContact O-CG 3.43Å; S148-L152 PolarHBondContact O-N 2.9Å; Q149-L152 WeakPolarHBondContact O-CB 3.46Å; Q149-L152 PolarHBondContact O-N 2.75Å; I150-L152 VanDerWaalsContact C-N 3.27Å; I150-L152 PolarHBondContact O-N 2.95Å
153	L	58.5	Low	62.5	Low	156 Å²	156	75.1 Å²	75.1	82%	0.817	38%	0.378	S	S	*	.	H	α-helix	trans	-77.3	-37.3	178	-68.2	169.8	0	0	0	111.8	Q149 I150 F151	Q149-L153 WeakPolarHBondContact O-CG 3.37Å; Q149-L153 PolarHBondContact O-N 3.41Å; I150-L153 PolarHBondContact O-N 3.09Å; I150-L153 VanDerWaalsContact O-N 3.12Å; F151-L153 VanDerWaalsContact C-N 3.34Å
154	D	55.6	Low	62.1	Low	75 Å²	75	71.9 Å²	71.9	40%	0.401	36%	0.364	S	S	.	.			trans	-123.6	80.6	179.7	-170.6	1.9	0	0	0	111.7	I150 F151 Q156	I150-D154 PolarHBondContact O-N 3.45Å; F151-D154 CarbonylContact O-C 3.58Å; D154-Q156 PolarHBondContact O-N 2.74Å
155	R	51.7	Low	62.1	Low	167 Å²	167	71.5 Å²	71.5	63%	0.63	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-14.2	-173	-63.6	-174.1	-176.7	-174.4	2.7	114.4	F151	F151-R155 PolarHBondContact O-N 3.18Å
156	Q	53.7	Low	62.6	Low	180 Å²	180	73.2 Å²	73.2	84%	0.841	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-13.8	-166.9	-65.1	-171.4	9	0	0	113.7	D154 P158	D154-Q156 PolarHBondContact O-N 2.74Å; Q156-P158 VanDerWaalsContact O-CD 3.22Å; Q156-P158 WeakPolarHBondContact O-CD 2.86Å
157	A	54.7	Low	62.8	Low	23 Å²	23	70 Å²	70	19%	0.19	36%	0.355	C	S	.	.			trans	-75.5	113.9	179.2	0	0	0	0	0	111.5	D159 M160	A157-D159 PolarHBondContact O-N 2.82Å; A157-M160 HydrophobicContact CB-CB 4.18Å; A157-M160 HydrophobicContact CB-CG 3.59Å; A157-M160 WeakPolarHBondContact O-CB 3.1Å; A157-M160 PolarHBondContact O-N 3.33Å; A157-M160 VanDerWaalsContact O-N 3.08Å
158	P	58.1	Low	63.1	Low	98 Å²	98	70 Å²	70	64%	0.636	36%	0.355	S	S	*	.	H	α-helix	trans	-58	-37.2	178.6	-22.6	34.5	0	0	0	112.7	Q156 M160 K161 Q162	Q156-P158 VanDerWaalsContact O-CD 3.22Å; Q156-P158 WeakPolarHBondContact O-CD 2.86Å; P158-M160 PolarHBondContact O-N 3.43Å; P158-K161 WeakPolarHBondContact O-CB 3.08Å; P158-K161 PolarHBondContact O-N 3.07Å; P158-K161 VanDerWaalsContact O-N 3.15Å; P158-Q162 PolarHBondContact O-N 3.46Å
159	D	64.7	Low	63.7	Low	124 Å²	124	69.9 Å²	69.9	66%	0.663	35%	0.354	S	S	*	.	H	α-helix	trans	-60.9	-30.4	178.7	-58.9	-19.7	0	0	0	112.2	A157 G163	A157-D159 PolarHBondContact O-N 2.82Å; D159-G163 PolarHBondContact O-N 2.87Å
160	M	63.3	Low	64.7	Low	66 Å²	66	68 Å²	68	33%	0.325	34%	0.344	S	S	.	.	H	α-helix	trans	-73.3	-37.8	178.7	-64.6	-63.8	-164.6	0	0	111.7	I150 F151 A157 P158 Q162 G163 V164	I150-M160 HydrophobicContact CG2-CE 3.21Å; I150-M160 HydrophobicContact CG2-CG 4.5Å; I150-M160 HydrophobicContact CG2-SD 3.46Å; I150-M160 WeakPolarHBondContact CG2-SD 2.9Å; F151-M160 HydrophobicContact CB-CB 4.44Å; F151-M160 HydrophobicContact CD2-CB 3.91Å; A157-M160 HydrophobicContact CB-CB 4.18Å; A157-M160 HydrophobicContact CB-CG 3.59Å; A157-M160 WeakPolarHBondContact O-CB 3.1Å; A157-M160 PolarHBondContact O-N 3.33Å; A157-M160 VanDerWaalsContact O-N 3.08Å; P158-M160 PolarHBondContact O-N 3.43Å; M160-Q162 VanDerWaalsContact C-N 3.29Å; M160-Q162 PolarHBondContact O-N 2.89Å; M160-G163 PolarHBondContact O-N 3.4Å; M160-V164 WeakPolarHBondContact O-CG2 3.31Å; M160-V164 PolarHBondContact O-N 2.96Å
161	K	63.8	Low	65.4	Low	82 Å²	82	65.6 Å²	65.6	36%	0.357	33%	0.33	S	S	.	.	H	α-helix	trans	-59.3	-43.7	174.8	-177.6	-179	174.5	-171.3	0	110.4	F151 P158 A165 F210	F151-K161 HydrophobicContact CD2-CB 4.49Å; F151-K161 HydrophobicContact CE2-CB 3.89Å; F151-K161 HydrophobicContact CE2-CG 4.49Å; P158-K161 WeakPolarHBondContact O-CB 3.08Å; P158-K161 PolarHBondContact O-N 3.07Å; P158-K161 VanDerWaalsContact O-N 3.15Å; K161-A165 WeakPolarHBondContact O-CB 3.45Å; K161-A165 PolarHBondContact O-N 3.43Å; K161-F210 HydrophobicContact CD-CD1 4.22Å; K161-F210 VanDerWaalsContact CE-CD1 3.42Å; K161-F210 HydrophobicContact CG-CD1 3.7Å; K161-F210 HydrophobicContact CG-CE1 4Å
162	Q	68	Low	66.1	Low	71 Å²	71	65.6 Å²	65.6	33%	0.332	33%	0.333	S	S	.	.	H	α-helix	trans	-66	-43.3	175.9	-73.9	178.1	-23.9	0	0	112.1	P158 M160 V164 A165 K166 E216	P158-Q162 PolarHBondContact O-N 3.46Å; M160-Q162 VanDerWaalsContact C-N 3.29Å; M160-Q162 PolarHBondContact O-N 2.89Å; Q162-V164 PolarHBondContact O-N 3.24Å; Q162-A165 PolarHBondContact O-N 2.91Å; Q162-K166 WeakPolarHBondContact O-CB 3.49Å; Q162-K166 PolarHBondContact O-N 3.38Å; Q162-E216 WeakPolarHBondContact CB-OE1 3.47Å; Q162-E216 WeakPolarHBondContact CG-OE2 3.37Å; Q162-E216 PolarHBondContact NE2-OE2 3.12Å; Q162-E216 PolarHBondContact OE1-OE1 3.38Å
163	G	70.2	Confident	67.4	Low	30 Å²	30	64.5 Å²	64.5	31%	0.309	33%	0.326	S	S	.	.	H	α-helix	trans	-58	-45.7	175.8	0	0	0	0	0	113.4	D159 M160 N167	D159-G163 PolarHBondContact O-N 2.87Å; M160-G163 PolarHBondContact O-N 3.4Å; G163-N167 PolarHBondContact O-N 3.25Å; G163-N167 VanDerWaalsContact O-N 3.12Å; G163-N167 PolarHBondContact O-ND2 2.85Å
164	V	69.1	Low	68.4	Low	10 Å²	10	58 Å²	58	6%	0.061	29%	0.294	C	S	.	.	H	α-helix	trans	-62.7	-48.7	174.5	173	0	0	0	0	110.7	S147 F151 M160 Q162 K166 N167 V168	S147-V164 VanDerWaalsContact O-CG2 3.27Å; S147-V164 WeakPolarHBondContact O-CG2 3.5Å; F151-V164 HydrophobicContact CB-CG2 3.47Å; F151-V164 VanDerWaalsContact CB-CG2 3.47Å; F151-V164 HydrophobicContact CD2-CG2 4.49Å; F151-V164 HydrophobicContact CG-CG2 3.94Å; M160-V164 WeakPolarHBondContact O-CG2 3.31Å; M160-V164 PolarHBondContact O-N 2.96Å; Q162-V164 PolarHBondContact O-N 3.24Å; V164-K166 VanDerWaalsContact C-N 3.3Å; V164-K166 PolarHBondContact O-N 3.2Å; V164-N167 PolarHBondContact O-N 3.15Å; V164-V168 HydrophobicContact CG1-CG2 4.24Å; V164-V168 WeakPolarHBondContact O-CG2 3.17Å; V164-V168 PolarHBondContact O-N 3.25Å
165	A	70.9	Confident	69.4	Low	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.3	-43.4	-178.9	0	0	0	0	0	112.1	K161 Q162 N167 V168 C169 F206 F210 L212	K161-A165 WeakPolarHBondContact O-CB 3.45Å; K161-A165 PolarHBondContact O-N 3.43Å; Q162-A165 PolarHBondContact O-N 2.91Å; A165-N167 VanDerWaalsContact C-N 3.35Å; A165-N167 PolarHBondContact O-N 3.33Å; A165-V168 PolarHBondContact O-N 3.38Å; A165-C169 PolarHBondContact O-N 3.33Å; A165-C169 PolarHBondContact O-SG 3.38Å; A165-C169 VanDerWaalsContact O-SG 3.38Å; A165-F206 HydrophobicContact CB-CE1 3.8Å; A165-F206 HydrophobicContact CB-CZ 4.06Å; A165-F210 HydrophobicContact CB-CB 4.13Å; A165-F210 HydrophobicContact CB-CD1 3.81Å; A165-F210 HydrophobicContact CB-CG 4.03Å; A165-L212 HydrophobicContact CB-CD1 4.13Å; A165-L212 HydrophobicContact CB-CD2 3.78Å; A165-L212 HydrophobicContact CB-CG 4.46Å
166	K	76.6	Confident	70.6	Confident	80 Å²	80	47.3 Å²	47.3	35%	0.348	25%	0.249	S	C	.	.	H	α-helix	trans	-58.4	-43.7	173.8	178.3	165.2	-170.2	168.7	0	112.4	Q162 V164 C169 K170 I219	Q162-K166 WeakPolarHBondContact O-CB 3.49Å; Q162-K166 PolarHBondContact O-N 3.38Å; V164-K166 VanDerWaalsContact C-N 3.3Å; V164-K166 PolarHBondContact O-N 3.2Å; K166-C169 PolarHBondContact O-N 3.24Å; K166-K170 HydrophobicContact CG-CD 4.4Å; K166-K170 WeakPolarHBondContact O-CG 3.44Å; K166-K170 PolarHBondContact O-N 3.34Å; K166-I219 HydrophobicContact CD-CD1 3.93Å; K166-I219 HydrophobicContact CG-CD1 4.02Å; K166-I219 HydrophobicContact CG-CG2 4.37Å
167	N	75.4	Confident	72	Confident	25 Å²	25	40.5 Å²	40.5	13%	0.134	22%	0.224	C	C	.	.	H	α-helix	trans	-72.4	-35.3	179.1	-72.7	-28	0	0	0	112.7	K143 L144 S147 G163 V164 A165 C169 K170 Y171	K143-N167 PolarHBondContact O-ND2 3.33Å; K143-N167 VanDerWaalsContact O-ND2 3.17Å; L144-N167 HydrophobicContact CB-CB 4.24Å; L144-N167 HydrophobicContact CD1-CB 4.26Å; S147-N167 WeakPolarHBondContact CB-ND2 3.1Å; S147-N167 PolarHBondContact OG-ND2 2.84Å; G163-N167 PolarHBondContact O-N 3.25Å; G163-N167 VanDerWaalsContact O-N 3.12Å; G163-N167 PolarHBondContact O-ND2 2.85Å; V164-N167 PolarHBondContact O-N 3.15Å; A165-N167 VanDerWaalsContact C-N 3.35Å; A165-N167 PolarHBondContact O-N 3.33Å; N167-C169 VanDerWaalsContact C-N 3.32Å; N167-C169 PolarHBondContact O-N 3Å; N167-K170 PolarHBondContact O-N 3.4Å; N167-Y171 VanDerWaalsContact O-CB 3.3Å; N167-Y171 WeakPolarHBondContact O-CB 3.35Å; N167-Y171 PolarHBondContact O-N 3.18Å
168	V	73.4	Confident	73.1	Confident	15 Å²	15	40.1 Å²	40.1	9%	0.091	22%	0.22	C	C	.	.	H	α-helix	trans	-57.4	-49.6	170.1	170.5	0	0	0	0	109.3	L144 V164 A165 K170 Y171 T172 F206	L144-V168 HydrophobicContact CD1-CB 4.36Å; L144-V168 HydrophobicContact CD1-CG2 3.45Å; L144-V168 VanDerWaalsContact CD1-CG2 3.45Å; V164-V168 HydrophobicContact CG1-CG2 4.24Å; V164-V168 WeakPolarHBondContact O-CG2 3.17Å; V164-V168 PolarHBondContact O-N 3.25Å; A165-V168 PolarHBondContact O-N 3.38Å; V168-K170 PolarHBondContact O-N 2.88Å; V168-Y171 PolarHBondContact O-N 3.48Å; V168-T172 WeakPolarHBondContact O-CB 3.36Å; V168-T172 PolarHBondContact O-N 3.15Å; V168-T172 PolarHBondContact O-OG1 2.96Å; V168-F206 HydrophobicContact CB-CE1 4.05Å; V168-F206 HydrophobicContact CB-CE2 4.3Å; V168-F206 HydrophobicContact CB-CZ 3.64Å; V168-F206 HydrophobicContact CG1-CD2 4.37Å; V168-F206 HydrophobicContact CG1-CE1 3.96Å; V168-F206 HydrophobicContact CG1-CE2 3.78Å; V168-F206 HydrophobicContact CG1-CZ 3.56Å; V168-F206 HydrophobicContact CG2-CE2 4.41Å; V168-F206 HydrophobicContact CG2-CZ 3.93Å
169	C	76.6	Confident	74.2	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.8	-42.2	-177.1	-69	0	0	0	0	112.9	A165 K166 N167 Y171 T172 K173 M203 I219 C220	A165-C169 PolarHBondContact O-N 3.33Å; A165-C169 PolarHBondContact O-SG 3.38Å; A165-C169 VanDerWaalsContact O-SG 3.38Å; K166-C169 PolarHBondContact O-N 3.24Å; N167-C169 VanDerWaalsContact C-N 3.32Å; N167-C169 PolarHBondContact O-N 3Å; C169-Y171 PolarHBondContact O-N 3.21Å; C169-T172 PolarHBondContact O-N 2.87Å; C169-K173 WeakPolarHBondContact O-CB 3.37Å; C169-K173 WeakPolarHBondContact O-CG 3.42Å; C169-K173 PolarHBondContact O-N 3.39Å; C169-M203 HydrophobicContact CB-CE 3.57Å; C169-M203 WeakPolarHBondContact SG-CE 3.28Å; C169-I219 HydrophobicContact CB-CG2 3.85Å; C169-C220 HydrophobicContact CB-CB 3.97Å; C169-C220 WeakPolarHBondContact CB-SG 3.43Å; C169-C220 WeakPolarHBondContact SG-CB 3.31Å; C169-C220 CovalentContact SG-SG 2.02Å; C169-C220 PolarHBondContact SG-SG 2.95Å
170	K	81.4	Confident	75	Confident	77 Å²	77	30.4 Å²	30.4	34%	0.335	16%	0.162	S	C	.	.	H	α-helix	trans	-61.8	-42.3	174.2	-74.3	178.2	178.2	-173.9	0	112.9	K166 N167 V168 C174 I219	K166-K170 HydrophobicContact CG-CD 4.4Å; K166-K170 WeakPolarHBondContact O-CG 3.44Å; K166-K170 PolarHBondContact O-N 3.34Å; N167-K170 PolarHBondContact O-N 3.4Å; V168-K170 PolarHBondContact O-N 2.88Å; K170-C174 PolarHBondContact O-N 2.98Å; K170-C174 VanDerWaalsContact O-N 3.1Å; K170-I219 HydrophobicContact CG-CG2 4.21Å
171	Y	75.2	Confident	76	Confident	14 Å²	14	29.7 Å²	29.7	6%	0.055	16%	0.162	C	C	.	.	H	α-helix	trans	-65.5	-47.7	177.6	177.1	-112.8	0	0	0	111.3	L55 L134 C137 N140 E141 L144 N167 V168 C169 K173 C174 M175	L55-Y171 HydrophobicContact CD1-CE1 4.38Å; L134-Y171 WeakPolarHBondContact CD2-OH 3.27Å; C137-Y171 HydrophobicContact CB-CD2 4.36Å; C137-Y171 HydrophobicContact CB-CE2 4.15Å; N140-Y171 HydrophobicContact CB-CD2 4.26Å; E141-Y171 HydrophobicContact CB-CD2 3.97Å; E141-Y171 HydrophobicContact CB-CE2 3.67Å; E141-Y171 HydrophobicContact CG-CE2 4.03Å; L144-Y171 HydrophobicContact CD2-CD1 3.76Å; L144-Y171 HydrophobicContact CD2-CE1 4.46Å; L144-Y171 HydrophobicContact CD2-CG 4.08Å; N167-Y171 VanDerWaalsContact O-CB 3.3Å; N167-Y171 WeakPolarHBondContact O-CB 3.35Å; N167-Y171 PolarHBondContact O-N 3.18Å; V168-Y171 PolarHBondContact O-N 3.48Å; C169-Y171 PolarHBondContact O-N 3.21Å; Y171-K173 PolarHBondContact O-N 3.17Å; Y171-C174 WeakPolarHBondContact O-CB 3.39Å; Y171-C174 PolarHBondContact O-N 3.2Å; Y171-M175 HydrophobicContact CD1-CG 4.47Å; Y171-M175 HydrophobicContact CD2-CG 4.24Å; Y171-M175 HydrophobicContact CE1-CG 4.05Å; Y171-M175 HydrophobicContact CE2-CG 3.76Å; Y171-M175 HydrophobicContact CE2-SD 4.1Å; Y171-M175 WeakPolarHBondContact O-CG 3.48Å; Y171-M175 PolarHBondContact O-N 3.01Å
172	T	73.2	Confident	76.9	Confident	34 Å²	34	27.2 Å²	27.2	21%	0.209	15%	0.154	C	C	.	.	H	α-helix	trans	-60.7	-44	178.4	-59.2	0	0	0	0	111.9	V168 C169 C174 M175 A176 L199 M203	V168-T172 WeakPolarHBondContact O-CB 3.36Å; V168-T172 PolarHBondContact O-N 3.15Å; V168-T172 PolarHBondContact O-OG1 2.96Å; C169-T172 PolarHBondContact O-N 2.87Å; T172-C174 PolarHBondContact O-N 3.47Å; T172-M175 PolarHBondContact O-N 3.27Å; T172-A176 WeakPolarHBondContact O-CB 3.36Å; T172-A176 PolarHBondContact O-N 3.36Å; T172-L199 HydrophobicContact CG2-CD2 4.07Å; T172-M203 HydrophobicContact CG2-CG 4.18Å; T172-M203 HydrophobicContact CG2-SD 3.5Å; T172-M203 WeakPolarHBondContact CG2-SD 3.42Å
173	K	81.8	Confident	77.5	Confident	28 Å²	28	23.9 Å²	23.9	12%	0.122	14%	0.138	C	C	.	.	H	α-helix	trans	-56.9	-49.3	173.7	-76.6	-168.3	170.6	-168.8	0	111.4	C169 Y171 M175 A176 A177 I219 Q221 Y222 D226 L227	C169-K173 WeakPolarHBondContact O-CB 3.37Å; C169-K173 WeakPolarHBondContact O-CG 3.42Å; C169-K173 PolarHBondContact O-N 3.39Å; Y171-K173 PolarHBondContact O-N 3.17Å; K173-M175 VanDerWaalsContact C-N 3.32Å; K173-M175 PolarHBondContact O-N 3.21Å; K173-A176 WeakPolarHBondContact O-CB 3.47Å; K173-A176 PolarHBondContact O-N 2.95Å; K173-A176 VanDerWaalsContact O-N 3.08Å; K173-A177 PolarHBondContact O-N 2.67Å; K173-I219 WeakPolarHBondContact CE-O 3.26Å; K173-I219 PolarHBondContact NZ-O 3.19Å; K173-Q221 WeakPolarHBondContact CE-O 3.49Å; K173-Q221 PolarHBondContact NZ-O 3.06Å; K173-Y222 HydrophobicContact CG-CD2 4.17Å; K173-D226 WeakPolarHBondContact CE-OD2 3.23Å; K173-D226 IonicContact NZ-OD2 3.7Å; K173-D226 PolarHBondContact NZ-OD2 2.94Å; K173-L227 HydrophobicContact CB-CD1 4.01Å; K173-L227 WeakPolarHBondContact O-CD1 3.41Å
174	C	78.6	Confident	78.2	Confident	19 Å²	19	25.5 Å²	25.5	13%	0.128	14%	0.14	C	C	.	.	H	α-helix	trans	-57.9	-46.6	179.5	-175.6	0	0	0	0	111.7	C137 K170 Y171 T172 A176 A177 C178 L227	C137-C174 WeakPolarHBondContact CA-SG 3.2Å; C137-C174 HydrophobicContact CB-CB 3.88Å; C137-C174 WeakPolarHBondContact CB-SG 3.39Å; C137-C174 WeakPolarHBondContact SG-CB 3.43Å; C137-C174 PolarHBondContact SG-O 3.44Å; C137-C174 VanDerWaalsContact SG-O 3.35Å; C137-C174 CovalentContact SG-SG 2.04Å; C137-C174 PolarHBondContact SG-SG 3.39Å; K170-C174 PolarHBondContact O-N 2.98Å; K170-C174 VanDerWaalsContact O-N 3.1Å; Y171-C174 WeakPolarHBondContact O-CB 3.39Å; Y171-C174 PolarHBondContact O-N 3.2Å; T172-C174 PolarHBondContact O-N 3.47Å; C174-A176 VanDerWaalsContact C-N 3.3Å; C174-A176 PolarHBondContact O-N 3.5Å; C174-A177 PolarHBondContact O-N 3.44Å; C174-C178 PolarHBondContact O-N 2.84Å; C174-C178 VanDerWaalsContact O-N 3.14Å; C174-L227 VanDerWaalsContact CA-CD1 3.5Å
175	M	76.3	Confident	79	Confident	14 Å²	14	33.6 Å²	33.6	7%	0.069	17%	0.174	C	C	.	.	H	α-helix	trans	-61.8	-39.7	176.5	-71.1	-62.1	-72.4	0	0	111.5	C133 L134 C137 Y171 T172 K173 C178 F179	C133-M175 HydrophobicContact CB-CE 3.93Å; C133-M175 HydrophobicContact CB-SD 3.76Å; L134-M175 HydrophobicContact CD2-CE 4.27Å; L134-M175 HydrophobicContact CD2-SD 4.43Å; C137-M175 HydrophobicContact CB-CG 4.48Å; C137-M175 HydrophobicContact CB-SD 3.99Å; Y171-M175 HydrophobicContact CD1-CG 4.47Å; Y171-M175 HydrophobicContact CD2-CG 4.24Å; Y171-M175 HydrophobicContact CE1-CG 4.05Å; Y171-M175 HydrophobicContact CE2-CG 3.76Å; Y171-M175 HydrophobicContact CE2-SD 4.1Å; Y171-M175 WeakPolarHBondContact O-CG 3.48Å; Y171-M175 PolarHBondContact O-N 3.01Å; T172-M175 PolarHBondContact O-N 3.27Å; K173-M175 VanDerWaalsContact C-N 3.32Å; K173-M175 PolarHBondContact O-N 3.21Å; M175-C178 PolarHBondContact O-N 3.09Å; M175-F179 WeakPolarHBondContact O-CB 3.2Å; M175-F179 PolarHBondContact O-N 2.87Å
176	A	78.1	Confident	79.7	Confident	3 Å²	3	40.8 Å²	40.8	3%	0.025	20%	0.201	C	C	.	.	H	α-helix	trans	-63.2	-49.2	177.7	0	0	0	0	0	112.3	T172 K173 C174 C178 F179 I180 L199 Y222	T172-A176 WeakPolarHBondContact O-CB 3.36Å; T172-A176 PolarHBondContact O-N 3.36Å; K173-A176 WeakPolarHBondContact O-CB 3.47Å; K173-A176 PolarHBondContact O-N 2.95Å; K173-A176 VanDerWaalsContact O-N 3.08Å; C174-A176 VanDerWaalsContact C-N 3.3Å; C174-A176 PolarHBondContact O-N 3.5Å; A176-C178 VanDerWaalsContact C-N 3.26Å; A176-C178 PolarHBondContact O-N 3.48Å; A176-F179 PolarHBondContact O-N 3.4Å; A176-I180 HydrophobicContact CB-CD1 3.99Å; A176-I180 WeakPolarHBondContact O-CB 3.3Å; A176-I180 WeakPolarHBondContact O-CG1 3.32Å; A176-I180 PolarHBondContact O-N 3.36Å; A176-L199 HydrophobicContact CB-CD1 3.77Å; A176-Y222 HydrophobicContact CB-CD2 4.3Å; A176-Y222 HydrophobicContact CB-CE1 4.45Å; A176-Y222 HydrophobicContact CB-CE2 3.77Å
177	A	82.7	Confident	80	Confident	38 Å²	38	37.9 Å²	37.9	31%	0.314	19%	0.191	S	C	.	.	H	α-helix	trans	-65.4	-28.6	179.2	0	0	0	0	0	113.4	K173 C174 P181 L227	K173-A177 PolarHBondContact O-N 2.67Å; C174-A177 PolarHBondContact O-N 3.44Å; A177-P181 WeakPolarHBondContact O-CD 3.39Å; A177-P181 VanDerWaalsContact O-CG 3.27Å; A177-P181 WeakPolarHBondContact O-CG 3.28Å; A177-L227 HydrophobicContact CB-CB 3.78Å; A177-L227 HydrophobicContact CB-CD1 3.29Å; A177-L227 HydrophobicContact CB-CG 4.16Å
178	C	78.4	Confident	80.4	Confident	15 Å²	15	38.2 Å²	38.2	10%	0.101	20%	0.2	C	C	.	.	H	α-helix	trans	-78.8	-41.3	172.7	177.1	0	0	0	0	112.6	F132 C133 C174 M175 A176 T182	F132-C178 VanDerWaalsContact CD1-SG 3.55Å; C133-C178 WeakPolarHBondContact CA-SG 3.25Å; C133-C178 HydrophobicContact CB-CB 3.7Å; C133-C178 WeakPolarHBondContact CB-SG 3.48Å; C133-C178 VanDerWaalsContact SG-C 3.55Å; C133-C178 WeakPolarHBondContact SG-CB 3.44Å; C133-C178 CovalentContact SG-SG 2.04Å; C133-C178 PolarHBondContact SG-SG 3.21Å; C174-C178 PolarHBondContact O-N 2.84Å; C174-C178 VanDerWaalsContact O-N 3.14Å; M175-C178 PolarHBondContact O-N 3.09Å; A176-C178 VanDerWaalsContact C-N 3.26Å; A176-C178 PolarHBondContact O-N 3.48Å; C178-T182 PolarHBondContact O-OG1 3.26Å
179	F	80	Confident	81.1	Confident	9 Å²	9	41.9 Å²	41.9	4%	0.039	22%	0.222	C	C	.	.	H	α-helix	trans	-84.1	-42.8	-169.2	-169.1	-111	0	0	0	113	L125 F126 R129 M175 A176 T182 V183 T195	L125-F179 HydrophobicContact CD2-CE2 3.93Å; L125-F179 HydrophobicContact CD2-CZ 3.81Å; L125-F179 HydrophobicContact CG-CE2 3.94Å; L125-F179 HydrophobicContact CG-CZ 4.03Å; F126-F179 HydrophobicContact CD1-CE1 4.27Å; F126-F179 HydrophobicContact CD1-CE2 4.39Å; F126-F179 AromaticContact CD1-CZ 3.71Å; F126-F179 HydrophobicContact CD1-CZ 3.71Å; F126-F179 HydrophobicContact CE1-CD1 4.37Å; F126-F179 AromaticContact CE1-CE1 3.4Å; F126-F179 HydrophobicContact CE1-CE1 3.4Å; F126-F179 VanDerWaalsContact CE1-CE1 3.4Å; F126-F179 HydrophobicContact CE1-CE2 4.22Å; F126-F179 AromaticContact CE1-CZ 3.3Å; F126-F179 HydrophobicContact CE1-CZ 3.3Å; F126-F179 HydrophobicContact CE2-CE1 4.35Å; F126-F179 HydrophobicContact CE2-CZ 4.32Å; F126-F179 HydrophobicContact CG-CZ 4.33Å; F126-F179 AromaticContact CZ-CE1 3.44Å; F126-F179 HydrophobicContact CZ-CE1 3.44Å; F126-F179 VanDerWaalsContact CZ-CE1 3.44Å; F126-F179 AromaticContact CZ-CZ 3.65Å; F126-F179 HydrophobicContact CZ-CZ 3.65Å; R129-F179 HydrophobicContact CG-CD2 4.31Å; R129-F179 HydrophobicContact CG-CE2 4Å; M175-F179 WeakPolarHBondContact O-CB 3.2Å; M175-F179 PolarHBondContact O-N 2.87Å; A176-F179 PolarHBondContact O-N 3.4Å; F179-T182 CarbonylContact O-C 3.46Å; F179-T182 WeakPolarHBondContact O-CA 3.2Å; F179-T182 VanDerWaalsContact O-CB 3.29Å; F179-T182 WeakPolarHBondContact O-CB 3.34Å; F179-T182 PolarHBondContact O-N 3.19Å; F179-V183 HydrophobicContact CD1-CG2 3.55Å; F179-V183 HydrophobicContact CE1-CG2 3.29Å; F179-V183 HydrophobicContact CE2-CG2 4.43Å; F179-V183 HydrophobicContact CG-CG2 4.22Å; F179-V183 HydrophobicContact CZ-CG2 3.78Å; F179-V183 WeakPolarHBondContact O-CG2 3.2Å; F179-V183 PolarHBondContact O-N 2.8Å; F179-T195 HydrophobicContact CD1-CG2 4.35Å
180	I	82.8	Confident	81.3	Confident	8 Å²	8	43.5 Å²	43.5	4%	0.041	24%	0.239	C	C	.	.	H	α-helix	trans	-58.2	-45.2	-176.5	-69.9	165.4	0	0	0	112.4	A176 T182 V183 D184 A192 T195 K196 L199 Y222	A176-I180 HydrophobicContact CB-CD1 3.99Å; A176-I180 WeakPolarHBondContact O-CB 3.3Å; A176-I180 WeakPolarHBondContact O-CG1 3.32Å; A176-I180 PolarHBondContact O-N 3.36Å; I180-T182 PolarHBondContact O-N 3.15Å; I180-V183 WeakPolarHBondContact O-CB 2.88Å; I180-V183 PolarHBondContact O-N 3.34Å; I180-V183 VanDerWaalsContact O-N 3.15Å; I180-D184 PolarHBondContact O-N 3.05Å; I180-A192 HydrophobicContact CG2-CB 4.22Å; I180-T195 HydrophobicContact CG1-CG2 4.08Å; I180-K196 HydrophobicContact CD1-CB 4.14Å; I180-L199 HydrophobicContact CD1-CD1 4.01Å; I180-L199 HydrophobicContact CG1-CD1 4.4Å; I180-Y222 HydrophobicContact CD1-CE1 3.67Å; I180-Y222 WeakPolarHBondContact CD1-OH 3.16Å
181	P	83.7	Confident	81.3	Confident	51 Å²	51	39.9 Å²	39.9	33%	0.331	22%	0.223	S	C	.	.	H	α-helix	trans	-62.6	-27.8	175	-24.3	35.6	0	0	0	113.4	A177 K185	A177-P181 WeakPolarHBondContact O-CD 3.39Å; A177-P181 VanDerWaalsContact O-CG 3.27Å; A177-P181 WeakPolarHBondContact O-CG 3.28Å; P181-K185 WeakPolarHBondContact O-CB 3.3Å; P181-K185 VanDerWaalsContact O-CG 3.26Å; P181-K185 WeakPolarHBondContact O-CG 3.45Å; P181-K185 PolarHBondContact O-N 2.85Å
182	T	82.4	Confident	81.5	Confident	31 Å²	31	39.6 Å²	39.6	19%	0.19	22%	0.224	C	C	.	.	H	α-helix	trans	-75.4	-40.4	176	-54.3	0	0	0	0	110.8	L125 C178 F179 I180 K185 R186	L125-T182 HydrophobicContact CD1-CG2 4Å; L125-T182 HydrophobicContact CD2-CG2 4.44Å; C178-T182 PolarHBondContact O-OG1 3.26Å; F179-T182 CarbonylContact O-C 3.46Å; F179-T182 WeakPolarHBondContact O-CA 3.2Å; F179-T182 VanDerWaalsContact O-CB 3.29Å; F179-T182 WeakPolarHBondContact O-CB 3.34Å; F179-T182 PolarHBondContact O-N 3.19Å; I180-T182 PolarHBondContact O-N 3.15Å; T182-K185 PolarHBondContact O-N 3.4Å; T182-R186 WeakPolarHBondContact O-CB 3.43Å; T182-R186 WeakPolarHBondContact O-CG 3.43Å; T182-R186 PolarHBondContact O-N 3.2Å
183	V	80.9	Confident	82	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.7	-47.7	172.4	174.8	0	0	0	0	110.2	L122 L125 F179 I180 K185 R186 C187 G188 A191 A192	L122-V183 HydrophobicContact CD2-CG1 3.66Å; L122-V183 HydrophobicContact CD2-CG2 4.08Å; L125-V183 HydrophobicContact CD2-CB 4.23Å; L125-V183 HydrophobicContact CD2-CG2 3.61Å; F179-V183 HydrophobicContact CD1-CG2 3.55Å; F179-V183 HydrophobicContact CE1-CG2 3.29Å; F179-V183 HydrophobicContact CE2-CG2 4.43Å; F179-V183 HydrophobicContact CG-CG2 4.22Å; F179-V183 HydrophobicContact CZ-CG2 3.78Å; F179-V183 WeakPolarHBondContact O-CG2 3.2Å; F179-V183 PolarHBondContact O-N 2.8Å; I180-V183 WeakPolarHBondContact O-CB 2.88Å; I180-V183 PolarHBondContact O-N 3.34Å; I180-V183 VanDerWaalsContact O-N 3.15Å; V183-K185 PolarHBondContact O-N 3.13Å; V183-R186 PolarHBondContact O-N 3.29Å; V183-C187 HydrophobicContact CG1-CB 4.23Å; V183-C187 WeakPolarHBondContact O-CA 3.19Å; V183-C187 WeakPolarHBondContact O-CB 2.97Å; V183-C187 PolarHBondContact O-N 2.94Å; V183-G188 PolarHBondContact O-N 2.76Å; V183-A191 HydrophobicContact CG1-CB 3.51Å; V183-A192 HydrophobicContact CG1-CB 4.29Å
184	D	85.5	Confident	81.8	Confident	64 Å²	64	40.8 Å²	40.8	34%	0.342	23%	0.23	S	C	.	.	H	α-helix	trans	-56.2	-50.4	178.3	-177.1	35.2	0	0	0	111.5	I180 R186 G188 V189 A192	I180-D184 PolarHBondContact O-N 3.05Å; D184-R186 VanDerWaalsContact C-N 3.33Å; D184-R186 PolarHBondContact O-N 3.35Å; D184-G188 CarbonylContact O-C 3.6Å; D184-G188 WeakPolarHBondContact O-CA 3.46Å; D184-G188 PolarHBondContact O-N 3.28Å; D184-V189 WeakPolarHBondContact OD1-CA 3.35Å; D184-V189 WeakPolarHBondContact OD1-CG2 3.48Å; D184-V189 PolarHBondContact OD1-N 3.32Å; D184-A192 HydrophobicContact CB-CB 3.64Å
185	K	85.8	Confident	81.7	Confident	181 Å²	181	40.6 Å²	40.6	79%	0.787	23%	0.228	S	C	*	.	H	α-helix	trans	-65.5	-30.6	-179.6	-72.8	177.8	-177.2	-173.2	0	114.5	P181 T182 V183	P181-K185 WeakPolarHBondContact O-CB 3.3Å; P181-K185 VanDerWaalsContact O-CG 3.26Å; P181-K185 WeakPolarHBondContact O-CG 3.45Å; P181-K185 PolarHBondContact O-N 2.85Å; T182-K185 PolarHBondContact O-N 3.4Å; V183-K185 PolarHBondContact O-N 3.13Å
186	R	84.5	Confident	81.8	Confident	151 Å²	151	43 Å²	43	57%	0.57	24%	0.238	S	C	*	.	H	α-helix	trans	-107.4	-31.6	-170.4	-68.5	-174.6	173.3	-157.5	-1	114.4	C121 T182 V183 D184	C121-R186 PolarHBondContact SG-O 3.05Å; C121-R186 VanDerWaalsContact SG-O 3.41Å; T182-R186 WeakPolarHBondContact O-CB 3.43Å; T182-R186 WeakPolarHBondContact O-CG 3.43Å; T182-R186 PolarHBondContact O-N 3.2Å; V183-R186 PolarHBondContact O-N 3.29Å; D184-R186 VanDerWaalsContact C-N 3.33Å; D184-R186 PolarHBondContact O-N 3.35Å
187	C	82.8	Confident	81.7	Confident	19 Å²	19	44.9 Å²	44.9	13%	0.128	25%	0.246	C	C	.	.	H	α-helix	trans	-116	-3.6	-178.6	-59.8	0	0	0	0	112.9	C121 V183 A191	C121-C187 HydrophobicContact CB-CB 3.77Å; C121-C187 WeakPolarHBondContact CB-SG 3.22Å; C121-C187 WeakPolarHBondContact SG-CA 3.49Å; C121-C187 WeakPolarHBondContact SG-CB 3.18Å; C121-C187 CovalentContact SG-SG 2.04Å; C121-C187 PolarHBondContact SG-SG 3.23Å; V183-C187 HydrophobicContact CG1-CB 4.23Å; V183-C187 WeakPolarHBondContact O-CA 3.19Å; V183-C187 WeakPolarHBondContact O-CB 2.97Å; V183-C187 PolarHBondContact O-N 2.94Å; C187-A191 HydrophobicContact CB-CB 3.46Å; C187-A191 VanDerWaalsContact CB-CB 3.46Å
188	G	85.1	Confident	81.2	Confident	31 Å²	31	45.3 Å²	45.3	32%	0.32	24%	0.243	S	C	.	.			trans	88.1	167.6	177.2	0	0	0	0	0	114	V183 D184 G190 A191 A192	V183-G188 PolarHBondContact O-N 2.76Å; D184-G188 CarbonylContact O-C 3.6Å; D184-G188 WeakPolarHBondContact O-CA 3.46Å; D184-G188 PolarHBondContact O-N 3.28Å; G188-G190 VanDerWaalsContact C-N 3.27Å; G188-G190 PolarHBondContact O-N 3.04Å; G188-A191 PolarHBondContact O-N 3.08Å; G188-A191 VanDerWaalsContact O-N 3.15Å; G188-A192 PolarHBondContact O-N 3.4Å
189	V	86.9	Confident	80.9	Confident	93 Å²	93	46.4 Å²	46.4	56%	0.564	25%	0.247	S	C	*	.	H	α-helix	trans	-57	-39.6	-175.1	-179.7	0	0	0	0	112	D184 A191 A192 I193	D184-V189 WeakPolarHBondContact OD1-CA 3.35Å; D184-V189 WeakPolarHBondContact OD1-CG2 3.48Å; D184-V189 PolarHBondContact OD1-N 3.32Å; V189-A191 PolarHBondContact O-N 3.14Å; V189-A192 PolarHBondContact O-N 2.95Å; V189-I193 HydrophobicContact CG1-CD1 3.75Å; V189-I193 HydrophobicContact CG1-CG1 4.24Å; V189-I193 WeakPolarHBondContact O-CG1 3.33Å; V189-I193 PolarHBondContact O-N 2.95Å
190	G	81.7	Confident	80.7	Confident	34 Å²	34	49.3 Å²	49.3	35%	0.351	26%	0.261	S	S	.	.	H	α-helix	trans	-60.4	-44	178.5	0	0	0	0	0	113.1	G188 A192 L194	G188-G190 VanDerWaalsContact C-N 3.27Å; G188-G190 PolarHBondContact O-N 3.04Å; G190-A192 VanDerWaalsContact C-N 3.33Å; G190-A192 PolarHBondContact O-N 3.5Å; G190-L194 WeakPolarHBondContact O-CB 3.39Å; G190-L194 PolarHBondContact O-N 3.11Å
191	A	80.3	Confident	80	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.5	-38.5	175.3	0	0	0	0	0	111.9	N118 L122 V183 C187 G188 V189 T195	N118-A191 HydrophobicContact CB-CB 3.94Å; N118-A191 WeakPolarHBondContact OD1-CB 3.4Å; N118-A191 PolarHBondContact OD1-N 3.22Å; L122-A191 HydrophobicContact CD2-CB 4.27Å; L122-A191 HydrophobicContact CG-CB 4.46Å; V183-A191 HydrophobicContact CG1-CB 3.51Å; C187-A191 HydrophobicContact CB-CB 3.46Å; C187-A191 VanDerWaalsContact CB-CB 3.46Å; G188-A191 PolarHBondContact O-N 3.08Å; G188-A191 VanDerWaalsContact O-N 3.15Å; V189-A191 PolarHBondContact O-N 3.14Å; A191-T195 VanDerWaalsContact O-CB 3.31Å; A191-T195 WeakPolarHBondContact O-CB 3.22Å; A191-T195 PolarHBondContact O-N 3.07Å; A191-T195 PolarHBondContact O-OG1 2.97Å
192	A	80.7	Confident	79.3	Confident	9 Å²	9	51.9 Å²	51.9	7%	0.074	27%	0.271	C	S	.	.	H	α-helix	trans	-67.7	-44.1	179.7	0	0	0	0	0	111.9	I180 V183 D184 G188 V189 G190 T195 K196	I180-A192 HydrophobicContact CG2-CB 4.22Å; V183-A192 HydrophobicContact CG1-CB 4.29Å; D184-A192 HydrophobicContact CB-CB 3.64Å; G188-A192 PolarHBondContact O-N 3.4Å; V189-A192 PolarHBondContact O-N 2.95Å; G190-A192 VanDerWaalsContact C-N 3.33Å; G190-A192 PolarHBondContact O-N 3.5Å; A192-T195 PolarHBondContact O-N 3.12Å; A192-K196 WeakPolarHBondContact O-CB 3.44Å; A192-K196 PolarHBondContact O-N 3.34Å
193	I	83.2	Confident	78.7	Confident	83 Å²	83	50.7 Å²	50.7	43%	0.426	26%	0.263	S	S	.	.	H	α-helix	trans	-60	-50	174	-68.8	170.6	0	0	0	110	V189 T195 K196 E197	V189-I193 HydrophobicContact CG1-CD1 3.75Å; V189-I193 HydrophobicContact CG1-CG1 4.24Å; V189-I193 WeakPolarHBondContact O-CG1 3.33Å; V189-I193 PolarHBondContact O-N 2.95Å; I193-T195 VanDerWaalsContact C-N 3.34Å; I193-T195 PolarHBondContact O-N 2.77Å; I193-K196 WeakPolarHBondContact O-CB 3.48Å; I193-K196 PolarHBondContact O-N 2.97Å; I193-E197 HydrophobicContact CG2-CG 4.33Å; I193-E197 WeakPolarHBondContact O-CG 3.22Å; I193-E197 PolarHBondContact O-N 3.12Å
194	L	77.5	Confident	78.2	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-57.8	-47.3	178.3	179.3	66.7	0	0	0	111.7	R111 T114 A115 G190 K196 E197 I198	R111-L194 HydrophobicContact CB-CD1 3.78Å; R111-L194 HydrophobicContact CG-CD1 3.94Å; T114-L194 HydrophobicContact CG2-CB 4.21Å; T114-L194 HydrophobicContact CG2-CD2 4.28Å; A115-L194 HydrophobicContact CB-CD2 4.09Å; G190-L194 WeakPolarHBondContact O-CB 3.39Å; G190-L194 PolarHBondContact O-N 3.11Å; L194-K196 VanDerWaalsContact C-N 3.31Å; L194-K196 PolarHBondContact O-N 3.44Å; L194-E197 PolarHBondContact O-N 3.34Å; L194-I198 HydrophobicContact CD1-CD1 3.96Å; L194-I198 HydrophobicContact CD1-CG1 4.27Å; L194-I198 HydrophobicContact CD2-CD1 4.43Å; L194-I198 HydrophobicContact CG-CD1 3.8Å; L194-I198 HydrophobicContact CG-CG1 4.46Å; L194-I198 WeakPolarHBondContact O-CB 3.34Å; L194-I198 VanDerWaalsContact O-CG1 3.25Å; L194-I198 WeakPolarHBondContact O-CG1 3.47Å; L194-I198 PolarHBondContact O-N 2.63Å
195	T	76.4	Confident	77.3	Confident	15 Å²	15	52.3 Å²	52.3	9%	0.092	28%	0.278	C	S	.	.	H	α-helix	trans	-60.3	-42.8	178.9	-58.8	0	0	0	0	111.1	F179 I180 A191 A192 I193 L199	F179-T195 HydrophobicContact CD1-CG2 4.35Å; I180-T195 HydrophobicContact CG1-CG2 4.08Å; A191-T195 VanDerWaalsContact O-CB 3.31Å; A191-T195 WeakPolarHBondContact O-CB 3.22Å; A191-T195 PolarHBondContact O-N 3.07Å; A191-T195 PolarHBondContact O-OG1 2.97Å; A192-T195 PolarHBondContact O-N 3.12Å; I193-T195 VanDerWaalsContact C-N 3.34Å; I193-T195 PolarHBondContact O-N 2.77Å; T195-L199 HydrophobicContact CG2-CD1 4.03Å; T195-L199 WeakPolarHBondContact O-CB 3.46Å; T195-L199 VanDerWaalsContact O-CG 3.27Å; T195-L199 WeakPolarHBondContact O-CG 3.28Å; T195-L199 PolarHBondContact O-N 3.4Å
196	K	77.4	Confident	76.4	Confident	65 Å²	65	45.4 Å²	45.4	28%	0.283	25%	0.248	S	C	.	.	H	α-helix	trans	-60.7	-50.5	176	170.5	175.5	174.9	-172.1	0	111.5	I180 A192 I193 L194 I198 L199 Q200 Y222 H224	I180-K196 HydrophobicContact CD1-CB 4.14Å; A192-K196 WeakPolarHBondContact O-CB 3.44Å; A192-K196 PolarHBondContact O-N 3.34Å; I193-K196 WeakPolarHBondContact O-CB 3.48Å; I193-K196 PolarHBondContact O-N 2.97Å; L194-K196 VanDerWaalsContact C-N 3.31Å; L194-K196 PolarHBondContact O-N 3.44Å; K196-I198 PolarHBondContact O-N 2.97Å; K196-L199 PolarHBondContact O-N 2.9Å; K196-Q200 HydrophobicContact CG-CG 4.5Å; K196-Q200 WeakPolarHBondContact O-CG 3.35Å; K196-Q200 PolarHBondContact O-N 2.77Å; K196-Y222 HydrophobicContact CG-CD1 4.41Å; K196-Y222 HydrophobicContact CG-CE1 4.05Å; K196-H224 HydrophobicContact CD-CB 4.49Å
197	E	77.3	Confident	75.5	Confident	41 Å²	41	38.7 Å²	38.7	19%	0.192	23%	0.226	C	C	.	.	H	α-helix	trans	-64.8	-40	-177.4	-68.5	173.9	157.2	0	0	112.2	F106 R111 I193 L194 Q200 K201	F106-E197 HydrophobicContact CE1-CB 4.08Å; F106-E197 HydrophobicContact CZ-CB 3.54Å; F106-E197 HydrophobicContact CZ-CG 4.35Å; F106-E197 WeakPolarHBondContact CZ-OE2 3.5Å; R111-E197 IonicContact CZ-OE1 2.63Å; R111-E197 IonicContact CZ-OE2 2.67Å; R111-E197 IonicContact NE-OE1 3.38Å; R111-E197 IonicContact NE-OE2 2.79Å; R111-E197 PolarHBondContact NE-OE2 2.95Å; R111-E197 VanDerWaalsContact NH2-CD 3.32Å; R111-E197 IonicContact NH2-OE1 3.18Å; R111-E197 PolarHBondContact NH2-OE1 3.5Å; R111-E197 IonicContact NH2-OE2 2.75Å; R111-E197 PolarHBondContact NH2-OE2 3.38Å; R111-E197 VanDerWaalsContact NH2-OE2 3.13Å; I193-E197 HydrophobicContact CG2-CG 4.33Å; I193-E197 WeakPolarHBondContact O-CG 3.22Å; I193-E197 PolarHBondContact O-N 3.12Å; L194-E197 PolarHBondContact O-N 3.34Å; E197-Q200 PolarHBondContact O-N 3.21Å; E197-K201 PolarHBondContact O-N 2.93Å
198	I	72.2	Confident	74.7	Confident	48 Å²	48	44.8 Å²	44.8	25%	0.246	25%	0.25	C	S	.	.	H	α-helix	trans	-59.5	-48.7	173.4	-69.6	169.3	0	0	0	110	F106 L107 L194 K196 Q200 K201 V202	F106-I198 HydrophobicContact CE1-CG1 4.2Å; L107-I198 HydrophobicContact CD2-CD1 3.67Å; L107-I198 HydrophobicContact CD2-CG1 3.83Å; L194-I198 HydrophobicContact CD1-CD1 3.96Å; L194-I198 HydrophobicContact CD1-CG1 4.27Å; L194-I198 HydrophobicContact CD2-CD1 4.43Å; L194-I198 HydrophobicContact CG-CD1 3.8Å; L194-I198 HydrophobicContact CG-CG1 4.46Å; L194-I198 WeakPolarHBondContact O-CB 3.34Å; L194-I198 VanDerWaalsContact O-CG1 3.25Å; L194-I198 WeakPolarHBondContact O-CG1 3.47Å; L194-I198 PolarHBondContact O-N 2.63Å; K196-I198 PolarHBondContact O-N 2.97Å; I198-Q200 PolarHBondContact O-N 3.4Å; I198-K201 PolarHBondContact O-N 3.26Å; I198-V202 HydrophobicContact CG2-CG2 4.16Å; I198-V202 WeakPolarHBondContact O-CB 3.43Å; I198-V202 VanDerWaalsContact O-CG2 3.26Å; I198-V202 WeakPolarHBondContact O-CG2 3.43Å; I198-V202 PolarHBondContact O-N 2.68Å
199	L	71	Confident	73.8	Confident	38 Å²	38	45.7 Å²	45.7	20%	0.199	25%	0.25	C	C	.	.	H	α-helix	trans	-62.3	-42.6	179.5	-74.5	168.7	0	0	0	112	T172 A176 I180 T195 K196 K201 V202 M203	T172-L199 HydrophobicContact CG2-CD2 4.07Å; A176-L199 HydrophobicContact CB-CD1 3.77Å; I180-L199 HydrophobicContact CD1-CD1 4.01Å; I180-L199 HydrophobicContact CG1-CD1 4.4Å; T195-L199 HydrophobicContact CG2-CD1 4.03Å; T195-L199 WeakPolarHBondContact O-CB 3.46Å; T195-L199 VanDerWaalsContact O-CG 3.27Å; T195-L199 WeakPolarHBondContact O-CG 3.28Å; T195-L199 PolarHBondContact O-N 3.4Å; K196-L199 PolarHBondContact O-N 2.9Å; L199-K201 VanDerWaalsContact C-N 3.34Å; L199-K201 PolarHBondContact O-N 3.49Å; L199-V202 PolarHBondContact O-N 3.23Å; L199-M203 VanDerWaalsContact O-CB 3.27Å; L199-M203 WeakPolarHBondContact O-CB 3.26Å; L199-M203 WeakPolarHBondContact O-CG 3.2Å; L199-M203 PolarHBondContact O-N 2.55Å
200	Q	75.9	Confident	72.7	Confident	70 Å²	70	42.7 Å²	42.7	33%	0.327	23%	0.229	S	C	.	.	H	α-helix	trans	-59.5	-44.8	175.9	-73.5	178	-38.9	0	0	111.8	K196 E197 I198 S204 Y222	K196-Q200 HydrophobicContact CG-CG 4.5Å; K196-Q200 WeakPolarHBondContact O-CG 3.35Å; K196-Q200 PolarHBondContact O-N 2.77Å; E197-Q200 PolarHBondContact O-N 3.21Å; I198-Q200 PolarHBondContact O-N 3.4Å; Q200-S204 WeakPolarHBondContact O-CB 3.36Å; Q200-S204 PolarHBondContact O-N 3.35Å; Q200-Y222 HydrophobicContact CG-CD1 3.98Å; Q200-Y222 WeakPolarHBondContact CG-O 3.46Å; Q200-Y222 PolarHBondContact NE2-O 3.22Å
201	K	68.9	Low	72	Confident	62 Å²	62	46.8 Å²	46.8	27%	0.27	24%	0.243	S	C	.	.	H	α-helix	trans	-66.3	-48.1	177	-77.4	174.7	-178.6	-98.8	0	112	L103 F106 E197 I198 L199 M203 S204 V205	L103-K201 HydrophobicContact CD1-CB 3.82Å; L103-K201 HydrophobicContact CD1-CD 4.41Å; F106-K201 HydrophobicContact CB-CD 3.83Å; F106-K201 HydrophobicContact CD1-CD 3.39Å; F106-K201 HydrophobicContact CD2-CD 3.98Å; F106-K201 HydrophobicContact CE1-CD 3.84Å; F106-K201 HydrophobicContact CE2-CD 4.35Å; F106-K201 HydrophobicContact CG-CD 3.44Å; F106-K201 VanDerWaalsContact CG-CD 3.44Å; F106-K201 HydrophobicContact CZ-CD 4.27Å; E197-K201 PolarHBondContact O-N 2.93Å; I198-K201 PolarHBondContact O-N 3.26Å; L199-K201 VanDerWaalsContact C-N 3.34Å; L199-K201 PolarHBondContact O-N 3.49Å; K201-M203 VanDerWaalsContact C-N 3.27Å; K201-M203 PolarHBondContact O-N 2.83Å; K201-S204 WeakPolarHBondContact O-CB 3.38Å; K201-S204 PolarHBondContact O-N 2.83Å; K201-S204 VanDerWaalsContact O-N 3.15Å; K201-V205 WeakPolarHBondContact O-CG2 3.29Å; K201-V205 PolarHBondContact O-N 2.84Å
202	V	69.2	Low	71.5	Confident	50 Å²	50	47.6 Å²	47.6	30%	0.303	25%	0.247	S	C	.	.	H	α-helix	trans	-56.7	-43.5	177.7	168.8	0	0	0	0	111	L103 I198 L199 V205 F206	L103-V202 HydrophobicContact CD1-CG2 4.27Å; L103-V202 HydrophobicContact CD2-CG2 3.81Å; I198-V202 HydrophobicContact CG2-CG2 4.16Å; I198-V202 WeakPolarHBondContact O-CB 3.43Å; I198-V202 VanDerWaalsContact O-CG2 3.26Å; I198-V202 WeakPolarHBondContact O-CG2 3.43Å; I198-V202 PolarHBondContact O-N 2.68Å; L199-V202 PolarHBondContact O-N 3.23Å; V202-V205 PolarHBondContact O-N 3.41Å; V202-F206 WeakPolarHBondContact O-CB 3.31Å; V202-F206 PolarHBondContact O-N 3.32Å
203	M	70.1	Confident	71	Confident	6 Å²	6	51.5 Å²	51.5	3%	0.03	27%	0.27	C	S	.	.	H	α-helix	trans	-69.8	-35.4	179.2	-68.3	-74	-64.8	0	0	112.7	C169 T172 L199 K201 F206 G207 C220	C169-M203 HydrophobicContact CB-CE 3.57Å; C169-M203 WeakPolarHBondContact SG-CE 3.28Å; T172-M203 HydrophobicContact CG2-CG 4.18Å; T172-M203 HydrophobicContact CG2-SD 3.5Å; T172-M203 WeakPolarHBondContact CG2-SD 3.42Å; L199-M203 VanDerWaalsContact O-CB 3.27Å; L199-M203 WeakPolarHBondContact O-CB 3.26Å; L199-M203 WeakPolarHBondContact O-CG 3.2Å; L199-M203 PolarHBondContact O-N 2.55Å; K201-M203 VanDerWaalsContact C-N 3.27Å; K201-M203 PolarHBondContact O-N 2.83Å; M203-F206 PolarHBondContact O-N 2.8Å; M203-G207 PolarHBondContact O-N 3.24Å; M203-C220 VanDerWaalsContact CB-O 3.29Å; M203-C220 WeakPolarHBondContact CB-O 3.28Å; M203-C220 HydrophobicContact CE-CB 3.81Å; M203-C220 WeakPolarHBondContact CE-O 3.19Å
204	S	69.6	Low	70.5	Confident	67 Å²	67	50.4 Å²	50.4	47%	0.469	28%	0.279	S	S	.	.	H	α-helix	trans	-63.3	-45.6	171.7	-177.6	0	0	0	0	111.5	Q200 K201 G207 K208	Q200-S204 WeakPolarHBondContact O-CB 3.36Å; Q200-S204 PolarHBondContact O-N 3.35Å; K201-S204 WeakPolarHBondContact O-CB 3.38Å; K201-S204 PolarHBondContact O-N 2.83Å; K201-S204 VanDerWaalsContact O-N 3.15Å; S204-G207 PolarHBondContact O-N 3.44Å; S204-K208 WeakPolarHBondContact O-CG 3.32Å; S204-K208 PolarHBondContact O-N 3.4Å; S204-K208 VanDerWaalsContact O-N 3.14Å
205	V	66.9	Low	70.2	Confident	32 Å²	32	57.8 Å²	57.8	19%	0.194	31%	0.314	C	S	.	.	H	α-helix	trans	-58.8	-49.3	173.4	173.6	0	0	0	0	110.1	A99 K201 V202 G207 K208 V209	A99-V205 HydrophobicContact CB-CB 4.14Å; A99-V205 HydrophobicContact CB-CG1 3.67Å; A99-V205 HydrophobicContact CB-CG2 3.74Å; K201-V205 WeakPolarHBondContact O-CG2 3.29Å; K201-V205 PolarHBondContact O-N 2.84Å; V202-V205 PolarHBondContact O-N 3.41Å; V205-G207 VanDerWaalsContact C-N 3.34Å; V205-G207 PolarHBondContact O-N 3.33Å; V205-K208 WeakPolarHBondContact O-CB 3.19Å; V205-K208 PolarHBondContact O-N 3.35Å; V205-K208 VanDerWaalsContact O-N 3.11Å; V205-V209 HydrophobicContact CG1-CG2 4.15Å; V205-V209 WeakPolarHBondContact O-CG2 3.27Å; V205-V209 PolarHBondContact O-N 2.97Å
206	F	67	Low	69.6	Low	35 Å²	35	59.2 Å²	59.2	15%	0.154	32%	0.319	C	S	.	.	H	α-helix	trans	-56	-47.4	178.7	-175.5	-93.8	0	0	0	112.1	A165 V168 V202 M203 K208 V209 F210	A165-F206 HydrophobicContact CB-CE1 3.8Å; A165-F206 HydrophobicContact CB-CZ 4.06Å; V168-F206 HydrophobicContact CB-CE1 4.05Å; V168-F206 HydrophobicContact CB-CE2 4.3Å; V168-F206 HydrophobicContact CB-CZ 3.64Å; V168-F206 HydrophobicContact CG1-CD2 4.37Å; V168-F206 HydrophobicContact CG1-CE1 3.96Å; V168-F206 HydrophobicContact CG1-CE2 3.78Å; V168-F206 HydrophobicContact CG1-CZ 3.56Å; V168-F206 HydrophobicContact CG2-CE2 4.41Å; V168-F206 HydrophobicContact CG2-CZ 3.93Å; V202-F206 WeakPolarHBondContact O-CB 3.31Å; V202-F206 PolarHBondContact O-N 3.32Å; M203-F206 PolarHBondContact O-N 2.8Å; F206-K208 VanDerWaalsContact C-N 3.29Å; F206-K208 PolarHBondContact O-N 3.13Å; F206-V209 PolarHBondContact O-N 2.75Å; F206-F210 HydrophobicContact CD1-CD2 4.21Å; F206-F210 AromaticContact CD2-CD2 3.79Å; F206-F210 HydrophobicContact CD2-CD2 3.79Å; F206-F210 AromaticContact CD2-CE2 3.65Å; F206-F210 HydrophobicContact CD2-CE2 3.65Å; F206-F210 AromaticContact CE1-CD2 3.95Å; F206-F210 HydrophobicContact CE1-CD2 3.95Å; F206-F210 HydrophobicContact CE1-CE2 4.34Å; F206-F210 HydrophobicContact CE1-CG 4.28Å; F206-F210 AromaticContact CE2-CD2 3.5Å; F206-F210 HydrophobicContact CE2-CD2 3.5Å; F206-F210 VanDerWaalsContact CE2-CD2 3.5Å; F206-F210 AromaticContact CE2-CE2 3.11Å; F206-F210 HydrophobicContact CE2-CE2 3.11Å; F206-F210 HydrophobicContact CE2-CG 4.43Å; F206-F210 AromaticContact CE2-CZ 3.78Å; F206-F210 HydrophobicContact CE2-CZ 3.78Å; F206-F210 HydrophobicContact CG-CD2 4.13Å; F206-F210 HydrophobicContact CG-CE2 4.44Å; F206-F210 HydrophobicContact CZ-CD1 4.46Å; F206-F210 AromaticContact CZ-CD2 3.57Å; F206-F210 HydrophobicContact CZ-CD2 3.57Å; F206-F210 HydrophobicContact CZ-CE1 4.4Å; F206-F210 AromaticContact CZ-CE2 3.5Å; F206-F210 HydrophobicContact CZ-CE2 3.5Å; F206-F210 HydrophobicContact CZ-CG 4.08Å; F206-F210 AromaticContact CZ-CZ 3.94Å; F206-F210 HydrophobicContact CZ-CZ 3.94Å; F206-F210 WeakPolarHBondContact O-CD2 3.2Å; F206-F210 PolarHBondContact O-N 3.48Å
207	G	65.4	Low	69.2	Low	11 Å²	11	57.6 Å²	57.6	11%	0.113	32%	0.318	C	S	.	.	H	α-helix	trans	-57.2	-41.1	176.7	0	0	0	0	0	113	M203 S204 V205 N211 L212	M203-G207 PolarHBondContact O-N 3.24Å; S204-G207 PolarHBondContact O-N 3.44Å; V205-G207 VanDerWaalsContact C-N 3.34Å; V205-G207 PolarHBondContact O-N 3.33Å; G207-N211 PolarHBondContact O-N 3.4Å; G207-N211 VanDerWaalsContact O-N 3.12Å; G207-L212 PolarHBondContact O-N 3.19Å
208	K	67	Low	69.1	Low	146 Å²	146	59 Å²	59	64%	0.635	33%	0.33	S	S	*	.	H	α-helix	trans	-66.1	-47.1	175.8	-68.5	178.9	-179.6	-172.2	0	112.5	S204 V205 F206 F210 N211	S204-K208 WeakPolarHBondContact O-CG 3.32Å; S204-K208 PolarHBondContact O-N 3.4Å; S204-K208 VanDerWaalsContact O-N 3.14Å; V205-K208 WeakPolarHBondContact O-CB 3.19Å; V205-K208 PolarHBondContact O-N 3.35Å; V205-K208 VanDerWaalsContact O-N 3.11Å; F206-K208 VanDerWaalsContact C-N 3.29Å; F206-K208 PolarHBondContact O-N 3.13Å; K208-F210 VanDerWaalsContact C-N 3.26Å; K208-F210 PolarHBondContact O-N 3.48Å; K208-N211 PolarHBondContact O-N 2.7Å
209	V	64.5	Low	69.2	Low	51 Å²	51	58.3 Å²	58.3	31%	0.309	33%	0.326	S	S	.	.	H	α-helix	trans	-61.7	-36.3	179.8	176.8	0	0	0	0	112	I96 V205 F206 N211	I96-V209 HydrophobicContact CB-CG2 4.47Å; I96-V209 HydrophobicContact CD1-CG1 4.25Å; I96-V209 HydrophobicContact CG1-CB 4.44Å; I96-V209 HydrophobicContact CG1-CG1 4.14Å; I96-V209 HydrophobicContact CG1-CG2 3.73Å; V205-V209 HydrophobicContact CG1-CG2 4.15Å; V205-V209 WeakPolarHBondContact O-CG2 3.27Å; V205-V209 PolarHBondContact O-N 2.97Å; F206-V209 PolarHBondContact O-N 2.75Å; V209-N211 VanDerWaalsContact C-N 3.3Å
210	F	65	Low	69.1	Low	30 Å²	30	56.8 Å²	56.8	13%	0.132	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-0.8	178.3	-77.4	-97.1	0	0	0	113.6	A44 K161 A165 F206 K208 L212	A44-F210 HydrophobicContact CB-CE1 4.45Å; A44-F210 HydrophobicContact CB-CZ 4.1Å; K161-F210 HydrophobicContact CD-CD1 4.22Å; K161-F210 VanDerWaalsContact CE-CD1 3.42Å; K161-F210 HydrophobicContact CG-CD1 3.7Å; K161-F210 HydrophobicContact CG-CE1 4Å; A165-F210 HydrophobicContact CB-CB 4.13Å; A165-F210 HydrophobicContact CB-CD1 3.81Å; A165-F210 HydrophobicContact CB-CG 4.03Å; F206-F210 HydrophobicContact CD1-CD2 4.21Å; F206-F210 AromaticContact CD2-CD2 3.79Å; F206-F210 HydrophobicContact CD2-CD2 3.79Å; F206-F210 AromaticContact CD2-CE2 3.65Å; F206-F210 HydrophobicContact CD2-CE2 3.65Å; F206-F210 AromaticContact CE1-CD2 3.95Å; F206-F210 HydrophobicContact CE1-CD2 3.95Å; F206-F210 HydrophobicContact CE1-CE2 4.34Å; F206-F210 HydrophobicContact CE1-CG 4.28Å; F206-F210 AromaticContact CE2-CD2 3.5Å; F206-F210 HydrophobicContact CE2-CD2 3.5Å; F206-F210 VanDerWaalsContact CE2-CD2 3.5Å; F206-F210 AromaticContact CE2-CE2 3.11Å; F206-F210 HydrophobicContact CE2-CE2 3.11Å; F206-F210 HydrophobicContact CE2-CG 4.43Å; F206-F210 AromaticContact CE2-CZ 3.78Å; F206-F210 HydrophobicContact CE2-CZ 3.78Å; F206-F210 HydrophobicContact CG-CD2 4.13Å; F206-F210 HydrophobicContact CG-CE2 4.44Å; F206-F210 HydrophobicContact CZ-CD1 4.46Å; F206-F210 AromaticContact CZ-CD2 3.57Å; F206-F210 HydrophobicContact CZ-CD2 3.57Å; F206-F210 HydrophobicContact CZ-CE1 4.4Å; F206-F210 AromaticContact CZ-CE2 3.5Å; F206-F210 HydrophobicContact CZ-CE2 3.5Å; F206-F210 HydrophobicContact CZ-CG 4.08Å; F206-F210 AromaticContact CZ-CZ 3.94Å; F206-F210 HydrophobicContact CZ-CZ 3.94Å; F206-F210 WeakPolarHBondContact O-CD2 3.2Å; F206-F210 PolarHBondContact O-N 3.48Å; K208-F210 VanDerWaalsContact C-N 3.26Å; K208-F210 PolarHBondContact O-N 3.48Å; F210-L212 HydrophobicContact CB-CD1 4.49Å; F210-L212 HydrophobicContact CB-CD2 3.94Å; F210-L212 HydrophobicContact CB-CG 3.9Å; F210-L212 PolarHBondContact O-N 3.3Å
211	N	67	Low	69.2	Low	120 Å²	120	58.7 Å²	58.7	64%	0.642	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	44.9	-175.2	-165.7	33.7	0	0	0	112.4	G207 K208 V209 V213	G207-N211 PolarHBondContact O-N 3.4Å; G207-N211 VanDerWaalsContact O-N 3.12Å; K208-N211 PolarHBondContact O-N 2.7Å; V209-N211 VanDerWaalsContact C-N 3.3Å; N211-V213 PolarHBondContact O-N 3.5Å
212	L	68.8	Low	69.1	Low	17 Å²	17	56.3 Å²	56.3	9%	0.089	32%	0.317	C	S	.	.			trans	-72.6	129.6	178.2	-56.9	-177.3	0	0	0	109.2	A165 G207 F210 E216 C220	A165-L212 HydrophobicContact CB-CD1 4.13Å; A165-L212 HydrophobicContact CB-CD2 3.78Å; A165-L212 HydrophobicContact CB-CG 4.46Å; G207-L212 PolarHBondContact O-N 3.19Å; F210-L212 HydrophobicContact CB-CD1 4.49Å; F210-L212 HydrophobicContact CB-CD2 3.94Å; F210-L212 HydrophobicContact CB-CG 3.9Å; F210-L212 PolarHBondContact O-N 3.3Å; L212-E216 HydrophobicContact CB-CB 4.02Å; L212-E216 HydrophobicContact CD2-CB 4.19Å; L212-C220 HydrophobicContact CD1-CB 4.44Å; L212-C220 WeakPolarHBondContact CD1-SG 3.38Å
213	V	71.3	Confident	69.1	Low	91 Å²	91	60 Å²	60	55%	0.552	33%	0.33	S	S	*	.			trans	-127	157.3	-179.5	-65.6	0	0	0	0	110.5	N211 E215 E216	N211-V213 PolarHBondContact O-N 3.5Å; V213-E215 PolarHBondContact O-N 2.91Å; V213-E216 WeakPolarHBondContact O-CB 3.42Å; V213-E216 PolarHBondContact O-N 3.24Å
214	G	73.2	Confident	68.3	Low	59 Å²	59	65.7 Å²	65.7	61%	0.608	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	-132.7	177.3	0	0	0	0	0	113.5	E216 A217 T218	G214-E216 PolarHBondContact O-N 2.76Å; G214-A217 WeakPolarHBondContact O-CB 3.46Å; G214-A217 PolarHBondContact O-N 3.13Å; G214-A217 VanDerWaalsContact O-N 3.17Å; G214-T218 PolarHBondContact O-N 3.19Å
215	E	70.1	Confident	67.5	Low	160 Å²	160	64.8 Å²	64.8	75%	0.748	36%	0.358	S	S	*	.	H	α-helix	trans	-59.1	-26.4	179.2	-65.1	-173.9	175.4	0	0	113.4	V213 T218 I219	V213-E215 PolarHBondContact O-N 2.91Å; E215-T218 PolarHBondContact O-N 3.47Å; E215-T218 PolarHBondContact O-OG1 2.81Å; E215-I219 WeakPolarHBondContact O-CD1 3.02Å; E215-I219 VanDerWaalsContact O-CG1 3.3Å; E215-I219 WeakPolarHBondContact O-CG1 3.16Å; E215-I219 PolarHBondContact O-N 3.4Å
216	E	64.2	Low	66.8	Low	44 Å²	44	66.4 Å²	66.4	21%	0.206	37%	0.365	C	S	.	.	H	α-helix	trans	-72.4	-36.5	179.2	-55.2	-170.4	145.1	0	0	111.8	Q162 L212 V213 G214 T218 I219	Q162-E216 WeakPolarHBondContact CB-OE1 3.47Å; Q162-E216 WeakPolarHBondContact CG-OE2 3.37Å; Q162-E216 PolarHBondContact NE2-OE2 3.12Å; Q162-E216 PolarHBondContact OE1-OE1 3.38Å; L212-E216 HydrophobicContact CB-CB 4.02Å; L212-E216 HydrophobicContact CD2-CB 4.19Å; V213-E216 WeakPolarHBondContact O-CB 3.42Å; V213-E216 PolarHBondContact O-N 3.24Å; G214-E216 PolarHBondContact O-N 2.76Å; E216-T218 VanDerWaalsContact C-N 3.34Å; E216-I219 PolarHBondContact O-N 3.42Å
217	A	68.9	Low	65.6	Low	31 Å²	31	68.5 Å²	68.5	26%	0.256	38%	0.378	S	S	.	.	H	α-helix	trans	-65	-40.4	174.7	0	0	0	0	0	111.1	G214 I219 C220 Q221	G214-A217 WeakPolarHBondContact O-CB 3.46Å; G214-A217 PolarHBondContact O-N 3.13Å; G214-A217 VanDerWaalsContact O-N 3.17Å; A217-I219 VanDerWaalsContact C-N 3.34Å; A217-I219 PolarHBondContact O-N 3.16Å; A217-C220 PolarHBondContact O-N 3.4Å; A217-C220 VanDerWaalsContact O-N 3.13Å; A217-Q221 PolarHBondContact O-N 3.37Å
218	T	76	Confident	64	Low	72 Å²	72	78.6 Å²	78.6	44%	0.442	43%	0.429	S	S	.	.	H	α-helix	trans	-69.7	-30.5	-179.8	63.5	0	0	0	0	112.3	G214 E215 E216 C220 Q221	G214-T218 PolarHBondContact O-N 3.19Å; E215-T218 PolarHBondContact O-N 3.47Å; E215-T218 PolarHBondContact O-OG1 2.81Å; E216-T218 VanDerWaalsContact C-N 3.34Å; T218-C220 PolarHBondContact O-N 3.28Å; T218-Q221 PolarHBondContact O-N 3.43Å; T218-Q221 VanDerWaalsContact O-N 3.15Å
219	I	72.9	Confident	63.9	Low	33 Å²	33	75.2 Å²	75.2	17%	0.169	42%	0.419	C	S	.	.	H	α-helix	trans	-59.3	-28.6	172.1	-70.1	158	0	0	0	111.6	K166 C169 K170 K173 E215 E216 A217	K166-I219 HydrophobicContact CD-CD1 3.93Å; K166-I219 HydrophobicContact CG-CD1 4.02Å; K166-I219 HydrophobicContact CG-CG2 4.37Å; C169-I219 HydrophobicContact CB-CG2 3.85Å; K170-I219 HydrophobicContact CG-CG2 4.21Å; K173-I219 WeakPolarHBondContact CE-O 3.26Å; K173-I219 PolarHBondContact NZ-O 3.19Å; E215-I219 WeakPolarHBondContact O-CD1 3.02Å; E215-I219 VanDerWaalsContact O-CG1 3.3Å; E215-I219 WeakPolarHBondContact O-CG1 3.16Å; E215-I219 PolarHBondContact O-N 3.4Å; E216-I219 PolarHBondContact O-N 3.42Å; A217-I219 VanDerWaalsContact C-N 3.34Å; A217-I219 PolarHBondContact O-N 3.16Å
220	C	70.2	Confident	63.8	Low	5 Å²	5	76.5 Å²	76.5	3%	0.034	43%	0.425	C	S	.	.	H	α-helix	trans	-94.3	-13.3	179.1	-58.5	0	0	0	0	114	C169 M203 L212 A217 T218 Y222	C169-C220 HydrophobicContact CB-CB 3.97Å; C169-C220 WeakPolarHBondContact CB-SG 3.43Å; C169-C220 WeakPolarHBondContact SG-CB 3.31Å; C169-C220 CovalentContact SG-SG 2.02Å; C169-C220 PolarHBondContact SG-SG 2.95Å; M203-C220 VanDerWaalsContact CB-O 3.29Å; M203-C220 WeakPolarHBondContact CB-O 3.28Å; M203-C220 HydrophobicContact CE-CB 3.81Å; M203-C220 WeakPolarHBondContact CE-O 3.19Å; L212-C220 HydrophobicContact CD1-CB 4.44Å; L212-C220 WeakPolarHBondContact CD1-SG 3.38Å; A217-C220 PolarHBondContact O-N 3.4Å; A217-C220 VanDerWaalsContact O-N 3.13Å; T218-C220 PolarHBondContact O-N 3.28Å; C220-Y222 PolarHBondContact O-N 3Å
221	Q	76.5	Confident	63.8	Low	110 Å²	110	79.1 Å²	79.1	51%	0.514	44%	0.441	S	S	.	.			trans	-68.7	118.7	172	-70.8	175.3	-10.2	0	0	109.3	K173 A217 T218	K173-Q221 WeakPolarHBondContact CE-O 3.49Å; K173-Q221 PolarHBondContact NZ-O 3.06Å; A217-Q221 PolarHBondContact O-N 3.37Å; T218-Q221 PolarHBondContact O-N 3.43Å; T218-Q221 VanDerWaalsContact O-N 3.15Å
222	Y	67.1	Low	63.6	Low	13 Å²	13	76.6 Å²	76.6	5%	0.051	43%	0.429	C	S	.	.			trans	-95.5	110.4	175.9	177.1	-109.1	0	0	0	110.4	K173 A176 I180 K196 Q200 C220	K173-Y222 HydrophobicContact CG-CD2 4.17Å; A176-Y222 HydrophobicContact CB-CD2 4.3Å; A176-Y222 HydrophobicContact CB-CE1 4.45Å; A176-Y222 HydrophobicContact CB-CE2 3.77Å; I180-Y222 HydrophobicContact CD1-CE1 3.67Å; I180-Y222 WeakPolarHBondContact CD1-OH 3.16Å; K196-Y222 HydrophobicContact CG-CD1 4.41Å; K196-Y222 HydrophobicContact CG-CE1 4.05Å; Q200-Y222 HydrophobicContact CG-CD1 3.98Å; Q200-Y222 WeakPolarHBondContact CG-O 3.46Å; Q200-Y222 PolarHBondContact NE2-O 3.22Å; C220-Y222 PolarHBondContact O-N 3Å
223	E	68.9	Low	63.2	Low	126 Å²	126	80.4 Å²	80.4	59%	0.589	45%	0.45	S	S	*	.			trans	-104.7	144.2	165.7	-61.4	-169.5	171.2	0	0	110.3	G225 D226	E223-G225 PolarHBondContact O-N 2.89Å; E223-G225 VanDerWaalsContact O-N 3.1Å; E223-D226 PolarHBondContact N-OD2 2.69Å; E223-D226 WeakPolarHBondContact O-CB 3.29Å; E223-D226 PolarHBondContact O-N 3.21Å
224	H	53.5	Low	62.7	Low	127 Å²	127	79.7 Å²	79.7	59%	0.588	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	108.7	177.3	-173	71.3	0	0	0	108.4	K196	K196-H224 HydrophobicContact CD-CB 4.49Å
225	G	54.1	Low	62	Low	48 Å²	48	81.1 Å²	81.1	50%	0.495	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	129.3	-13.5	-172.6	0	0	0	0	0	114	E223 L227 N228	E223-G225 PolarHBondContact O-N 2.89Å; E223-G225 VanDerWaalsContact O-N 3.1Å; G225-L227 PolarHBondContact O-N 3.39Å; G225-N228 PolarHBondContact O-N 3.19Å
226	D	51.1	Low	61.3	Low	65 Å²	65	75.1 Å²	75.1	35%	0.348	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-3.8	-177.1	-81.6	-5.1	0	0	0	116.5	K173 E223	K173-D226 WeakPolarHBondContact CE-OD2 3.23Å; K173-D226 IonicContact NZ-OD2 3.7Å; K173-D226 PolarHBondContact NZ-OD2 2.94Å; E223-D226 PolarHBondContact N-OD2 2.69Å; E223-D226 WeakPolarHBondContact O-CB 3.29Å; E223-D226 PolarHBondContact O-N 3.21Å
227	L	41.5	Very low	61.1	Low	79 Å²	79	77.7 Å²	77.7	41%	0.414	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.3	28	-172.9	-76.2	171	0	0	0	114.2	K173 C174 A177 G225	K173-L227 HydrophobicContact CB-CD1 4.01Å; K173-L227 WeakPolarHBondContact O-CD1 3.41Å; C174-L227 VanDerWaalsContact CA-CD1 3.5Å; A177-L227 HydrophobicContact CB-CB 3.78Å; A177-L227 HydrophobicContact CB-CD1 3.29Å; A177-L227 HydrophobicContact CB-CG 4.16Å; G225-L227 PolarHBondContact O-N 3.39Å
228	N	32.5	Very low	60.4	Low	223 Å²	223	81.9 Å²	81.9	100%	1.193	44%	0.44	S	S	*	.			trans	-77.5	0	156.9	-71.5	-25.5	0	0	0	110.4	G225	G225-N228 PolarHBondContact O-N 3.19Å

Retrieved 228 of 228 residues in 281.5 ms (Link to these results)

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