A0A077YXA0_TRITR Loading...

R3H-associated N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A077YXA0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 226 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	35.8	Very low	37.2	Very low	227 Å²	227	158.6 Å²	158.6	100%	1.118	83%	0.833	S	S	*	*				0	92.1	0	-59.4	179.3	-169.7	0	0	111.5
2	E	33.5	Very low	37.6	Very low	180 Å²	180	162 Å²	162	84%	0.841	84%	0.841	S	S	*	*			cis	-157.4	163.5	-31.9	-137.2	112.3	142.5	0	0	106.9
3	A	42.2	Very low	38	Very low	96 Å²	96	162 Å²	162	79%	0.793	83%	0.831	S	S	*	*			trans	-97.5	159	-170.1	0	0	0	0	0	113.3
4	D	35.9	Very low	38.5	Very low	164 Å²	164	157.5 Å²	157.5	88%	0.877	82%	0.819	S	S	*	*			trans	-143.2	144.9	161.6	-152.1	-14.1	0	0	0	109.2
5	N	42.6	Very low	39.2	Very low	157 Å²	157	156.7 Å²	156.7	84%	0.84	82%	0.824	S	S	*	*			trans	-152.9	127.6	-163.2	-139.9	-11.7	0	0	0	111.9
6	F	34	Very low	39.6	Very low	154 Å²	154	151.7 Å²	151.7	68%	0.675	79%	0.793	S	S	*	*			trans	-149.4	110.9	-165.7	-163.8	-89.5	0	0	0	116.5	K8	F6-K8 HydrophobicContact CE1-CD 3.77Å; F6-K8 HydrophobicContact CE1-CG 3.81Å; F6-K8 HydrophobicContact CZ-CD 4.23Å; F6-K8 HydrophobicContact CZ-CG 4.14Å
7	R	41.1	Very low	40.9	Very low	236 Å²	236	146 Å²	146	89%	0.891	78%	0.78	S	S	*	*			trans	-170.4	114.8	153.2	-107.4	163.1	175.4	168.5	-1.5	107.7
8	K	36.7	Very low	42.4	Very low	180 Å²	180	142.2 Å²	142.2	78%	0.783	77%	0.767	S	S	*	*				61.6	120.8	64.3	-78.7	-163.8	173.1	-178.8	0	115.2	F6	F6-K8 HydrophobicContact CE1-CD 3.77Å; F6-K8 HydrophobicContact CE1-CG 3.81Å; F6-K8 HydrophobicContact CZ-CD 4.23Å; F6-K8 HydrophobicContact CZ-CG 4.14Å
9	G	33.3	Very low	43.3	Very low	79 Å²	79	145.4 Å²	145.4	81%	0.814	77%	0.767	S	S	*	*			trans	-137.9	173.7	165	0	0	0	0	0	111.6
10	S	38.4	Very low	43.7	Very low	112 Å²	112	144.2 Å²	144.2	78%	0.783	76%	0.755	S	S	*	*			trans	-113.2	119.6	-175.4	50.2	0	0	0	0	110.8
11	E	35.1	Very low	44.8	Very low	160 Å²	160	140 Å²	140	75%	0.748	73%	0.732	S	S	*	*				82.4	83.9	76.6	-74.6	-162.7	136.8	0	0	116.1
12	Q	42.7	Very low	46.6	Very low	199 Å²	199	136.2 Å²	136.2	93%	0.93	71%	0.706	S	S	*	*			trans	-134.1	120.5	135.7	-81.2	-171.8	-15.6	0	0	107.8
13	K	42.3	Very low	48	Very low	162 Å²	162	136.4 Å²	136.4	70%	0.704	70%	0.699	S	S	*	*			trans	-119.4	102.5	-176	-79.8	-179.9	176.3	169.1	0	111.9	T15	K13-T15 PolarHBondContact O-N 3.15Å
14	C	44.8	Very low	48.6	Very low	99 Å²	99	135.8 Å²	135.8	67%	0.669	68%	0.681	S	S	*	*			trans	-63	124.9	161.4	-69.3	0	0	0	0	109.6	F16	C14-F16 HydrophobicContact CB-CE2 4.14Å; C14-F16 HydrophobicContact CB-CZ 4.12Å; C14-F16 PolarHBondContact O-N 2.7Å
15	T	50.1	Low	49.9	Very low	145 Å²	145	132.4 Å²	132.4	89%	0.89	66%	0.66	S	S	*	*			trans	-79.1	78.3	-169.9	46.7	0	0	0	0	112.7	K13	K13-T15 PolarHBondContact O-N 3.15Å
16	F	44.7	Very low	50.9	Low	77 Å²	77	130 Å²	130	34%	0.338	65%	0.647	S	S	.	*			trans	-72.9	130.9	171.8	-61.4	-56.5	0	0	0	111.6	C14 K20 L24	C14-F16 HydrophobicContact CB-CE2 4.14Å; C14-F16 HydrophobicContact CB-CZ 4.12Å; C14-F16 PolarHBondContact O-N 2.7Å; F16-K20 HydrophobicContact CB-CB 4.15Å; F16-K20 HydrophobicContact CB-CD 4.32Å; F16-K20 HydrophobicContact CB-CG 4.03Å; F16-K20 HydrophobicContact CD1-CD 3.64Å; F16-K20 VanDerWaalsContact CD1-CE 3.48Å; F16-K20 HydrophobicContact CD1-CG 4.19Å; F16-K20 HydrophobicContact CE1-CD 4.25Å; F16-K20 HydrophobicContact CG-CD 4.13Å; F16-K20 HydrophobicContact CG-CG 4.16Å; F16-L24 HydrophobicContact CD2-CD1 3.72Å; F16-L24 HydrophobicContact CE2-CD1 3.5Å; F16-L24 HydrophobicContact CZ-CD1 4.45Å
17	G	61.8	Low	52	Low	55 Å²	55	124.7 Å²	124.7	57%	0.567	63%	0.632	S	S	*	*			trans	-58.2	148.3	175.8	0	0	0	0	0	112.5	R19 K20 M21	G17-R19 VanDerWaalsContact C-N 3.26Å; G17-R19 PolarHBondContact O-N 2.74Å; G17-K20 WeakPolarHBondContact O-CA 3.34Å; G17-K20 PolarHBondContact O-N 3.39Å; G17-M21 PolarHBondContact O-N 3.43Å
18	S	68.1	Low	53.1	Low	78 Å²	78	116 Å²	116	55%	0.545	61%	0.611	S	S	.	*	H	α-helix	trans	-47.3	-33.2	-163.3	-178.4	0	0	0	0	117	R22	S18-R22 PolarHBondContact O-N 2.94Å; S18-R22 VanDerWaalsContact O-N 3.17Å; S18-R22 PolarHBondContact O-NE 3.35Å; S18-R22 PolarHBondContact OG-NH2 2.69Å
19	R	59.4	Low	54.5	Low	203 Å²	203	113.5 Å²	113.5	77%	0.766	60%	0.6	S	S	*	*	H	α-helix	trans	-74	-34.2	175.5	-172.7	-178.7	-73.4	-162.8	-1.4	112.9	G17 R23	G17-R19 VanDerWaalsContact C-N 3.26Å; G17-R19 PolarHBondContact O-N 2.74Å; R19-R23 WeakPolarHBondContact O-CG 3.3Å; R19-R23 PolarHBondContact O-N 3.45Å
20	K	51.8	Low	55.6	Low	121 Å²	121	115.2 Å²	115.2	53%	0.526	59%	0.59	S	S	.	*	H	α-helix	trans	-79.3	-34.4	174.4	-176	172	175.8	178.5	0	111.4	F16 G17 R23 L24	F16-K20 HydrophobicContact CB-CB 4.15Å; F16-K20 HydrophobicContact CB-CD 4.32Å; F16-K20 HydrophobicContact CB-CG 4.03Å; F16-K20 HydrophobicContact CD1-CD 3.64Å; F16-K20 VanDerWaalsContact CD1-CE 3.48Å; F16-K20 HydrophobicContact CD1-CG 4.19Å; F16-K20 HydrophobicContact CE1-CD 4.25Å; F16-K20 HydrophobicContact CG-CD 4.13Å; F16-K20 HydrophobicContact CG-CG 4.16Å; G17-K20 WeakPolarHBondContact O-CA 3.34Å; G17-K20 PolarHBondContact O-N 3.39Å; K20-R23 PolarHBondContact O-N 3.42Å; K20-L24 PolarHBondContact O-N 2.91Å; K20-L24 VanDerWaalsContact O-N 3.09Å
21	M	67.2	Low	56.3	Low	57 Å²	57	116.1 Å²	116.1	28%	0.281	59%	0.585	S	S	.	*	H	α-helix	trans	-57.7	-53.6	171.2	-167.7	68	-168.3	0	0	111	G17 R23 L24 E25	G17-M21 PolarHBondContact O-N 3.43Å; M21-R23 VanDerWaalsContact C-N 3.28Å; M21-R23 PolarHBondContact O-N 3.43Å; M21-L24 CarbonylContact O-C 3.53Å; M21-L24 WeakPolarHBondContact O-CA 3.48Å; M21-L24 WeakPolarHBondContact O-CB 3.29Å; M21-L24 PolarHBondContact O-N 2.8Å; M21-E25 HydrophobicContact CE-CG 4.1Å; M21-E25 WeakPolarHBondContact CE-OE1 3.33Å; M21-E25 HydrophobicContact CG-CG 4.37Å; M21-E25 WeakPolarHBondContact CG-OE1 3.22Å; M21-E25 WeakPolarHBondContact O-CG 3.46Å; M21-E25 PolarHBondContact O-N 2.88Å
22	R	71.7	Confident	57.8	Low	147 Å²	147	112.7 Å²	112.7	56%	0.555	58%	0.579	S	S	*	*	H	α-helix	trans	-58.7	-32.6	176	-86.9	177.2	-78.9	-178.9	-12.9	114.8	S18 L24 E25 N26	S18-R22 PolarHBondContact O-N 2.94Å; S18-R22 VanDerWaalsContact O-N 3.17Å; S18-R22 PolarHBondContact O-NE 3.35Å; S18-R22 PolarHBondContact OG-NH2 2.69Å; R22-L24 VanDerWaalsContact C-N 3.34Å; R22-E25 VanDerWaalsContact CA-OE2 3.29Å; R22-E25 WeakPolarHBondContact CA-OE2 3.44Å; R22-E25 WeakPolarHBondContact CG-OE2 3.29Å; R22-E25 PolarHBondContact N-OE2 3.47Å; R22-N26 VanDerWaalsContact O-CB 3.31Å; R22-N26 WeakPolarHBondContact O-CB 3.2Å; R22-N26 PolarHBondContact O-N 2.66Å; R22-N26 PolarHBondContact O-OD1 3.17Å; R22-N26 VanDerWaalsContact O-OD1 3.08Å
23	R	63.3	Low	58.4	Low	184 Å²	184	108.4 Å²	108.4	69%	0.694	56%	0.562	S	S	*	*	H	α-helix	trans	-65.8	-38.4	172.1	-78.3	178.1	173.4	-170.3	-3.7	112.1	R19 K20 M21 A27	R19-R23 WeakPolarHBondContact O-CG 3.3Å; R19-R23 PolarHBondContact O-N 3.45Å; K20-R23 PolarHBondContact O-N 3.42Å; M21-R23 VanDerWaalsContact C-N 3.28Å; M21-R23 PolarHBondContact O-N 3.43Å; R23-A27 VanDerWaalsContact O-CB 3.27Å; R23-A27 WeakPolarHBondContact O-CB 3.41Å; R23-A27 PolarHBondContact O-N 3.25Å
24	L	55.3	Low	58.9	Low	82 Å²	82	102.9 Å²	102.9	43%	0.429	55%	0.546	S	S	.	.	H	α-helix	trans	-75.3	-38.9	180	-160.5	155.2	0	0	0	111.1	F16 K20 M21 R22 A27 A28	F16-L24 HydrophobicContact CD2-CD1 3.72Å; F16-L24 HydrophobicContact CE2-CD1 3.5Å; F16-L24 HydrophobicContact CZ-CD1 4.45Å; K20-L24 PolarHBondContact O-N 2.91Å; K20-L24 VanDerWaalsContact O-N 3.09Å; M21-L24 CarbonylContact O-C 3.53Å; M21-L24 WeakPolarHBondContact O-CA 3.48Å; M21-L24 WeakPolarHBondContact O-CB 3.29Å; M21-L24 PolarHBondContact O-N 2.8Å; R22-L24 VanDerWaalsContact C-N 3.34Å; L24-A27 PolarHBondContact O-N 2.6Å; L24-A28 VanDerWaalsContact O-CB 3.3Å; L24-A28 WeakPolarHBondContact O-CB 3.27Å; L24-A28 PolarHBondContact O-N 3.46Å
25	E	63.6	Low	58.9	Low	93 Å²	93	105.2 Å²	105.2	44%	0.435	54%	0.541	S	S	.	.	H	α-helix	trans	-60.9	-48.2	171.4	-68.3	163	157.8	0	0	111.2	M21 R22 A27 A28 F29	M21-E25 HydrophobicContact CE-CG 4.1Å; M21-E25 WeakPolarHBondContact CE-OE1 3.33Å; M21-E25 HydrophobicContact CG-CG 4.37Å; M21-E25 WeakPolarHBondContact CG-OE1 3.22Å; M21-E25 WeakPolarHBondContact O-CG 3.46Å; M21-E25 PolarHBondContact O-N 2.88Å; R22-E25 VanDerWaalsContact CA-OE2 3.29Å; R22-E25 WeakPolarHBondContact CA-OE2 3.44Å; R22-E25 WeakPolarHBondContact CG-OE2 3.29Å; R22-E25 PolarHBondContact N-OE2 3.47Å; E25-A27 PolarHBondContact O-N 3.34Å; E25-A28 PolarHBondContact O-N 3.09Å; E25-F29 WeakPolarHBondContact O-CB 3.41Å; E25-F29 PolarHBondContact O-N 3.43Å
26	N	63.9	Low	58.9	Low	106 Å²	106	107.1 Å²	107.1	57%	0.567	54%	0.54	S	S	*	.	H	α-helix	trans	-62.1	-40.9	174.7	-74.3	23.6	0	0	0	112.6	R22 F29 L30	R22-N26 VanDerWaalsContact O-CB 3.31Å; R22-N26 WeakPolarHBondContact O-CB 3.2Å; R22-N26 PolarHBondContact O-N 2.66Å; R22-N26 PolarHBondContact O-OD1 3.17Å; R22-N26 VanDerWaalsContact O-OD1 3.08Å; N26-F29 PolarHBondContact O-N 2.85Å; N26-L30 VanDerWaalsContact O-CG 3.32Å; N26-L30 WeakPolarHBondContact O-CG 3.32Å; N26-L30 PolarHBondContact O-N 3.24Å
27	A	57.3	Low	59.4	Low	44 Å²	44	110.3 Å²	110.3	36%	0.364	56%	0.556	S	S	.	*	H	α-helix	trans	-67.7	-41.9	178.4	0	0	0	0	0	112	R23 L24 E25 F29 L30 L31	R23-A27 VanDerWaalsContact O-CB 3.27Å; R23-A27 WeakPolarHBondContact O-CB 3.41Å; R23-A27 PolarHBondContact O-N 3.25Å; L24-A27 PolarHBondContact O-N 2.6Å; E25-A27 PolarHBondContact O-N 3.34Å; A27-F29 VanDerWaalsContact C-N 3.33Å; A27-F29 PolarHBondContact O-N 2.85Å; A27-L30 PolarHBondContact O-N 3.22Å; A27-L31 WeakPolarHBondContact O-CB 3.33Å; A27-L31 VanDerWaalsContact O-CG 3.29Å; A27-L31 WeakPolarHBondContact O-CG 3.45Å; A27-L31 PolarHBondContact O-N 2.88Å
28	A	64	Low	58.8	Low	53 Å²	53	112.6 Å²	112.6	44%	0.438	56%	0.555	S	S	.	*	H	α-helix	trans	-63.6	-39	174.9	0	0	0	0	0	111.8	L24 E25 S32	L24-A28 VanDerWaalsContact O-CB 3.3Å; L24-A28 WeakPolarHBondContact O-CB 3.27Å; L24-A28 PolarHBondContact O-N 3.46Å; E25-A28 PolarHBondContact O-N 3.09Å; A28-S32 WeakPolarHBondContact O-CB 3.49Å; A28-S32 PolarHBondContact O-N 3.44Å; A28-S32 PolarHBondContact O-OG 2.92Å
29	F	66.1	Low	57.7	Low	127 Å²	127	112.2 Å²	112.2	56%	0.557	55%	0.55	S	S	*	.	H	α-helix	trans	-61.6	-50.6	172.8	176.1	-108.2	0	0	0	111.8	E25 N26 A27 L31 S32 L33	E25-F29 WeakPolarHBondContact O-CB 3.41Å; E25-F29 PolarHBondContact O-N 3.43Å; N26-F29 PolarHBondContact O-N 2.85Å; A27-F29 VanDerWaalsContact C-N 3.33Å; A27-F29 PolarHBondContact O-N 2.85Å; F29-L31 VanDerWaalsContact C-N 3.34Å; F29-L31 PolarHBondContact O-N 3.36Å; F29-S32 WeakPolarHBondContact CA-OG 3.48Å; F29-S32 PolarHBondContact O-N 2.92Å; F29-S32 VanDerWaalsContact O-N 3.09Å; F29-S32 PolarHBondContact O-OG 2.95Å; F29-L33 HydrophobicContact CD1-CD1 4.32Å; F29-L33 HydrophobicContact CE1-CD1 3.75Å; F29-L33 HydrophobicContact CE2-CD2 4.5Å; F29-L33 HydrophobicContact CZ-CD1 3.86Å; F29-L33 HydrophobicContact CZ-CD2 4.43Å; F29-L33 HydrophobicContact CZ-CG 4.38Å; F29-L33 PolarHBondContact O-N 3.09Å
30	L	56.4	Low	56.9	Low	115 Å²	115	105.7 Å²	105.7	60%	0.602	53%	0.534	S	S	*	.	H	α-helix	trans	-60.4	-41.7	177.9	-71	168.6	0	0	0	112.4	N26 A27 S32 L33 A34	N26-L30 VanDerWaalsContact O-CG 3.32Å; N26-L30 WeakPolarHBondContact O-CG 3.32Å; N26-L30 PolarHBondContact O-N 3.24Å; A27-L30 PolarHBondContact O-N 3.22Å; L30-S32 VanDerWaalsContact C-N 3.31Å; L30-S32 PolarHBondContact O-N 3.45Å; L30-L33 PolarHBondContact O-N 3.5Å; L30-L33 VanDerWaalsContact O-N 3.17Å; L30-A34 PolarHBondContact O-N 3.47Å
31	L	52.5	Low	56.3	Low	132 Å²	132	108.3 Å²	108.3	69%	0.691	55%	0.546	S	S	*	.	H	α-helix	trans	-66.9	-29.4	175.1	-70.9	169	0	0	0	112.8	A27 F29 L33 A34	A27-L31 WeakPolarHBondContact O-CB 3.33Å; A27-L31 VanDerWaalsContact O-CG 3.29Å; A27-L31 WeakPolarHBondContact O-CG 3.45Å; A27-L31 PolarHBondContact O-N 2.88Å; F29-L31 VanDerWaalsContact C-N 3.34Å; F29-L31 PolarHBondContact O-N 3.36Å; L31-L33 PolarHBondContact O-N 3.42Å; L31-A34 PolarHBondContact O-N 2.97Å
32	S	66.6	Low	55.1	Low	88 Å²	88	110.3 Å²	110.3	62%	0.615	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-7.6	173.6	70.6	0	0	0	0	114.6	A28 F29 L30	A28-S32 WeakPolarHBondContact O-CB 3.49Å; A28-S32 PolarHBondContact O-N 3.44Å; A28-S32 PolarHBondContact O-OG 2.92Å; F29-S32 WeakPolarHBondContact CA-OG 3.48Å; F29-S32 PolarHBondContact O-N 2.92Å; F29-S32 VanDerWaalsContact O-N 3.09Å; F29-S32 PolarHBondContact O-OG 2.95Å; L30-S32 VanDerWaalsContact C-N 3.31Å; L30-S32 PolarHBondContact O-N 3.45Å
33	L	56.1	Low	53.4	Low	108 Å²	108	111.7 Å²	111.7	57%	0.565	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-21	171.6	-64.1	176	0	0	0	112.7	F29 L30 L31	F29-L33 HydrophobicContact CD1-CD1 4.32Å; F29-L33 HydrophobicContact CE1-CD1 3.75Å; F29-L33 HydrophobicContact CE2-CD2 4.5Å; F29-L33 HydrophobicContact CZ-CD1 3.86Å; F29-L33 HydrophobicContact CZ-CD2 4.43Å; F29-L33 HydrophobicContact CZ-CG 4.38Å; F29-L33 PolarHBondContact O-N 3.09Å; L30-L33 PolarHBondContact O-N 3.5Å; L30-L33 VanDerWaalsContact O-N 3.17Å; L31-L33 PolarHBondContact O-N 3.42Å
34	A	51.1	Low	52.3	Low	46 Å²	46	104.7 Å²	104.7	38%	0.38	54%	0.543	S	S	.	.	S	Bend	trans	-78.4	130.2	172.1	0	0	0	0	0	109.7	L30 L31	L30-A34 PolarHBondContact O-N 3.47Å; L31-A34 PolarHBondContact O-N 2.97Å
35	R	46.7	Very low	51.7	Low	148 Å²	148	105.5 Å²	105.5	56%	0.558	55%	0.547	S	S	*	.			trans	-82.5	159	174.5	-55.5	165.8	65.4	143.2	-7.6	108.9	E37 D38	R35-E37 HydrophobicContact CB-CG 3.78Å; R35-E37 IonicContact CZ-OE1 2.63Å; R35-E37 IonicContact NE-OE1 2.64Å; R35-E37 PolarHBondContact NE-OE1 3.36Å; R35-E37 IonicContact NH2-OE1 3.52Å; R35-E37 PolarHBondContact NH2-OE1 3.41Å; R35-E37 IonicContact NH2-OE2 3.31Å; R35-E37 PolarHBondContact O-N 2.95Å; R35-E37 VanDerWaalsContact O-N 3.15Å; R35-D38 WeakPolarHBondContact CB-OD2 3.29Å; R35-D38 WeakPolarHBondContact CG-OD2 3.44Å; R35-D38 PolarHBondContact N-OD2 3.26Å; R35-D38 WeakPolarHBondContact O-CB 3.43Å; R35-D38 PolarHBondContact O-N 2.98Å
36	E	50.1	Low	50.5	Low	186 Å²	186	107 Å²	107	87%	0.869	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-21.4	178.2	-165.2	164.8	-155.6	0	0	112.3
37	E	53.5	Low	49.2	Very low	144 Å²	144	108.2 Å²	108.2	67%	0.673	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-10.2	172.3	64.1	-153.1	120.4	0	0	114.6	R35	R35-E37 HydrophobicContact CB-CG 3.78Å; R35-E37 IonicContact CZ-OE1 2.63Å; R35-E37 IonicContact NE-OE1 2.64Å; R35-E37 PolarHBondContact NE-OE1 3.36Å; R35-E37 IonicContact NH2-OE1 3.52Å; R35-E37 PolarHBondContact NH2-OE1 3.41Å; R35-E37 IonicContact NH2-OE2 3.31Å; R35-E37 PolarHBondContact O-N 2.95Å; R35-E37 VanDerWaalsContact O-N 3.15Å
38	D	49.3	Very low	48.2	Very low	102 Å²	102	108.3 Å²	108.3	55%	0.545	56%	0.561	S	S	.	*	S	Bend	trans	-91.7	-6.3	176.3	-60.4	-39.8	0	0	0	112.9	R35	R35-D38 WeakPolarHBondContact CB-OD2 3.29Å; R35-D38 WeakPolarHBondContact CG-OD2 3.44Å; R35-D38 PolarHBondContact N-OD2 3.26Å; R35-D38 WeakPolarHBondContact O-CB 3.43Å; R35-D38 PolarHBondContact O-N 2.98Å
39	V	46.5	Very low	47.1	Very low	71 Å²	71	109.5 Å²	109.5	43%	0.43	56%	0.564	S	S	.	*			trans	-103.1	105.3	-175.6	-177.9	0	0	0	0	110	F41	V39-F41 HydrophobicContact CB-CE2 4.13Å; V39-F41 HydrophobicContact CB-CZ 4.41Å; V39-F41 HydrophobicContact CG1-CD2 4.4Å; V39-F41 HydrophobicContact CG1-CE1 4.25Å; V39-F41 HydrophobicContact CG1-CE2 3.8Å; V39-F41 HydrophobicContact CG1-CZ 3.73Å; V39-F41 WeakPolarHBondContact O-CD2 3.32Å; V39-F41 WeakPolarHBondContact O-CE2 3.44Å
40	C	41.5	Very low	45.9	Very low	66 Å²	66	109.3 Å²	109.3	45%	0.446	58%	0.578	S	S	.	*			trans	-78.9	140.4	174.1	-111.6	0	0	0	0	111.5	D45	C40-D45 HydrophobicContact CB-CB 3.92Å; C40-D45 WeakPolarHBondContact CB-OD1 3.44Å
41	F	40.4	Very low	45.7	Very low	175 Å²	175	107.1 Å²	107.1	77%	0.768	57%	0.565	S	S	*	*	S	Bend	trans	-117.2	-5.7	-174.3	-72.7	-84.2	0	0	0	113.9	V39	V39-F41 HydrophobicContact CB-CE2 4.13Å; V39-F41 HydrophobicContact CB-CZ 4.41Å; V39-F41 HydrophobicContact CG1-CD2 4.4Å; V39-F41 HydrophobicContact CG1-CE1 4.25Å; V39-F41 HydrophobicContact CG1-CE2 3.8Å; V39-F41 HydrophobicContact CG1-CZ 3.73Å; V39-F41 WeakPolarHBondContact O-CD2 3.32Å; V39-F41 WeakPolarHBondContact O-CE2 3.44Å
42	D	40.9	Very low	45.5	Very low	99 Å²	99	103.1 Å²	103.1	53%	0.529	55%	0.548	S	S	.	.	S	Bend	trans	-98.3	1.5	-179.4	67.3	-19.4	0	0	0	113.2	S44	D42-S44 VanDerWaalsContact C-N 3.27Å; D42-S44 VanDerWaalsContact CG-OG 3.24Å; D42-S44 PolarHBondContact O-N 3.09Å; D42-S44 VanDerWaalsContact OD1-CB 3.32Å; D42-S44 WeakPolarHBondContact OD1-CB 3.43Å; D42-S44 PolarHBondContact OD1-N 2.9Å; D42-S44 PolarHBondContact OD1-OG 2.87Å; D42-S44 VanDerWaalsContact OD2-CB 3.29Å; D42-S44 WeakPolarHBondContact OD2-CB 3.31Å; D42-S44 PolarHBondContact OD2-OG 2.98Å
43	W	37	Very low	44.5	Very low	176 Å²	176	100 Å²	100	67%	0.667	53%	0.527	S	S	*	.	S	Bend	trans	65.9	9.7	-168.3	-44.3	91.3	0	0	0	115.4	D45 L46 I47	W43-D45 VanDerWaalsContact C-OD1 3.26Å; W43-D45 WeakPolarHBondContact CA-OD1 2.86Å; W43-D45 PolarHBondContact O-N 3.5Å; W43-L46 HydrophobicContact CE3-CB 4.45Å; W43-L46 HydrophobicContact CE3-CD1 4.39Å; W43-L46 HydrophobicContact CE3-CD2 4.22Å; W43-L46 HydrophobicContact CZ3-CD2 4.37Å; W43-L46 CarbonylContact O-C 3.58Å; W43-L46 PolarHBondContact O-N 2.72Å; W43-I47 CarbonylContact O-C 3.48Å; W43-I47 VanDerWaalsContact O-C 3.24Å; W43-I47 PolarHBondContact O-N 2.87Å; W43-I47 VanDerWaalsContact O-O 3.07Å
44	S	40.4	Very low	43.9	Very low	38 Å²	38	95.1 Å²	95.1	27%	0.266	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.5	-177.3	-78.1	0	0	0	0	114	D42 S48	D42-S44 VanDerWaalsContact C-N 3.27Å; D42-S44 VanDerWaalsContact CG-OG 3.24Å; D42-S44 PolarHBondContact O-N 3.09Å; D42-S44 VanDerWaalsContact OD1-CB 3.32Å; D42-S44 WeakPolarHBondContact OD1-CB 3.43Å; D42-S44 PolarHBondContact OD1-N 2.9Å; D42-S44 PolarHBondContact OD1-OG 2.87Å; D42-S44 VanDerWaalsContact OD2-CB 3.29Å; D42-S44 WeakPolarHBondContact OD2-CB 3.31Å; D42-S44 PolarHBondContact OD2-OG 2.98Å; S44-S48 PolarHBondContact O-N 2.86Å; S44-S48 PolarHBondContact O-OG 2.63Å
45	D	42.2	Very low	43.7	Very low	99 Å²	99	95.7 Å²	95.7	53%	0.529	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-16.6	175.3	62.1	-31.9	0	0	0	115	C40 W43	C40-D45 HydrophobicContact CB-CB 3.92Å; C40-D45 WeakPolarHBondContact CB-OD1 3.44Å; W43-D45 VanDerWaalsContact C-OD1 3.26Å; W43-D45 WeakPolarHBondContact CA-OD1 2.86Å; W43-D45 PolarHBondContact O-N 3.5Å
46	L	38.7	Very low	43.7	Very low	124 Å²	124	90.5 Å²	90.5	65%	0.649	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-38.6	170.9	-83.9	90	0	0	0	113.2	W43	W43-L46 HydrophobicContact CE3-CB 4.45Å; W43-L46 HydrophobicContact CE3-CD1 4.39Å; W43-L46 HydrophobicContact CE3-CD2 4.22Å; W43-L46 HydrophobicContact CZ3-CD2 4.37Å; W43-L46 CarbonylContact O-C 3.58Å; W43-L46 PolarHBondContact O-N 2.72Å
47	I	36	Very low	43.5	Very low	132 Å²	132	82.6 Å²	82.6	68%	0.677	45%	0.445	S	S	*	.	S	Bend	trans	-150.3	90.4	-177.2	-51.2	178.5	0	0	0	107.5	W43	W43-I47 CarbonylContact O-C 3.48Å; W43-I47 VanDerWaalsContact O-C 3.24Å; W43-I47 PolarHBondContact O-N 2.87Å; W43-I47 VanDerWaalsContact O-O 3.07Å
48	S	36.5	Very low	42.9	Very low	45 Å²	45	81.3 Å²	81.3	32%	0.315	44%	0.443	S	S	.	.			trans	-55.4	146.4	171.5	-43.4	0	0	0	0	111.2	S44	S44-S48 PolarHBondContact O-N 2.86Å; S44-S48 PolarHBondContact O-OG 2.63Å
49	P	39.5	Very low	42.7	Very low	78 Å²	78	80.2 Å²	80.2	51%	0.506	45%	0.448	S	S	.	.			trans	-55.5	147.5	-167.4	19.3	-33.1	0	0	0	113.6	E51	P49-E51 VanDerWaalsContact C-N 3.27Å; P49-E51 PolarHBondContact O-N 2.64Å
50	S	42.9	Very low	42.3	Very low	123 Å²	123	79.3 Å²	79.3	86%	0.86	44%	0.44	S	S	*	.			trans	-77.2	74	-176.7	61	0	0	0	0	112.2
51	E	50.4	Low	42.5	Very low	70 Å²	70	80.9 Å²	80.9	33%	0.327	45%	0.45	S	S	.	.			trans	-91.9	114.4	162.6	-82.3	-162.5	-180	0	0	109.6	P49 T55 K56	P49-E51 VanDerWaalsContact C-N 3.27Å; P49-E51 PolarHBondContact O-N 2.64Å; E51-T55 WeakPolarHBondContact CA-OG1 3.09Å; E51-T55 HydrophobicContact CB-CG2 4.36Å; E51-T55 HydrophobicContact CG-CG2 3.94Å; E51-K56 WeakPolarHBondContact OE2-CE 3.08Å; E51-K56 WeakPolarHBondContact OE2-CG 3.37Å
52	S	48.6	Very low	42.5	Very low	47 Å²	47	79.1 Å²	79.1	33%	0.329	44%	0.444	S	S	.	.			trans	-131.6	172.2	-167.1	87.9	0	0	0	0	112	F54 T55 E175	S52-F54 CarbonylContact O-C 3.24Å; S52-F54 PolarHBondContact O-N 3.12Å; S52-F54 VanDerWaalsContact O-N 3.11Å; S52-T55 PolarHBondContact N-OG1 2.99Å; S52-T55 PolarHBondContact O-N 2.9Å; S52-T55 PolarHBondContact O-OG1 2.81Å; S52-E175 VanDerWaalsContact CB-CD 3.44Å; S52-E175 WeakPolarHBondContact CB-OE1 3.45Å; S52-E175 WeakPolarHBondContact CB-OE2 3.16Å; S52-E175 PolarHBondContact OG-OE2 2.68Å
53	A	46.3	Very low	42.6	Very low	22 Å²	22	78 Å²	78	18%	0.182	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	34.4	-173.4	0	0	0	0	0	113.4	E172 E175	A53-E172 HydrophobicContact CB-CB 4.24Å; A53-E172 HydrophobicContact CB-CG 4.35Å; A53-E175 WeakPolarHBondContact CA-OE2 3.37Å; A53-E175 WeakPolarHBondContact CB-OE2 3.38Å; A53-E175 PolarHBondContact N-OE1 2.7Å; A53-E175 PolarHBondContact N-OE2 3.16Å
54	F	42.2	Very low	42.6	Very low	6 Å²	6	74.1 Å²	74.1	3%	0.026	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	59.8	-164.3	-34.4	-88.6	0	0	0	114.6	S52 K56 L57 F150 L153 L161 W168 L171 W209	S52-F54 CarbonylContact O-C 3.24Å; S52-F54 PolarHBondContact O-N 3.12Å; S52-F54 VanDerWaalsContact O-N 3.11Å; F54-K56 PolarHBondContact O-N 2.84Å; F54-L57 HydrophobicContact CB-CB 3.4Å; F54-L57 HydrophobicContact CB-CD1 4.47Å; F54-L57 HydrophobicContact CD2-CD1 4.42Å; F54-L57 HydrophobicContact CG-CB 4.21Å; F54-L57 HydrophobicContact CG-CD1 4.45Å; F54-L57 WeakPolarHBondContact O-CB 3.46Å; F54-L57 PolarHBondContact O-N 3.11Å; F54-F150 HydrophobicContact CD1-CD2 4.39Å; F54-F150 HydrophobicContact CE1-CD2 4.25Å; F54-F150 HydrophobicContact CE1-CE2 4.4Å; F54-L153 HydrophobicContact CE1-CD1 3.69Å; F54-L153 HydrophobicContact CZ-CD1 4.3Å; F54-L161 HydrophobicContact CE1-CD1 3.96Å; F54-L161 HydrophobicContact CE2-CD1 4.45Å; F54-L161 HydrophobicContact CE2-CD2 3.89Å; F54-L161 HydrophobicContact CZ-CD1 3.49Å; F54-L161 VanDerWaalsContact CZ-CD1 3.49Å; F54-L161 HydrophobicContact CZ-CD2 3.7Å; F54-L161 HydrophobicContact CZ-CG 4.22Å; F54-W168 HydrophobicContact CD2-CE3 4.42Å; F54-W168 HydrophobicContact CD2-CZ3 4.31Å; F54-W168 HydrophobicContact CE2-CE3 4.28Å; F54-W168 AromaticContact CE2-CZ3 3.93Å; F54-W168 HydrophobicContact CE2-CZ3 3.93Å; F54-L171 HydrophobicContact CD2-CD2 3.85Å; F54-L171 HydrophobicContact CE2-CD1 3.61Å; F54-L171 HydrophobicContact CE2-CD2 3.45Å; F54-L171 VanDerWaalsContact CE2-CD2 3.45Å; F54-L171 HydrophobicContact CE2-CG 4.18Å; F54-L171 HydrophobicContact CZ-CD1 4.21Å; F54-L171 HydrophobicContact CZ-CD2 4.36Å; F54-W209 HydrophobicContact CD1-CE3 4.24Å; F54-W209 HydrophobicContact CD1-CH2 4.38Å; F54-W209 HydrophobicContact CD1-CZ3 4.12Å; F54-W209 HydrophobicContact CE1-CE3 4.24Å; F54-W209 HydrophobicContact CE1-CZ3 4.47Å
55	T	48.7	Very low	42.3	Very low	58 Å²	58	75.5 Å²	75.5	36%	0.356	43%	0.433	S	S	.	.	H	α-helix	trans	-51	-30.2	164.7	-38.9	0	0	0	0	111	E51 S52 L58 A59	E51-T55 WeakPolarHBondContact CA-OG1 3.09Å; E51-T55 HydrophobicContact CB-CG2 4.36Å; E51-T55 HydrophobicContact CG-CG2 3.94Å; S52-T55 PolarHBondContact N-OG1 2.99Å; S52-T55 PolarHBondContact O-N 2.9Å; S52-T55 PolarHBondContact O-OG1 2.81Å; T55-L58 PolarHBondContact O-N 3.32Å; T55-A59 PolarHBondContact O-N 3Å
56	K	45.5	Very low	42	Very low	39 Å²	39	75.6 Å²	75.6	17%	0.17	44%	0.437	C	S	.	.	H	α-helix	trans	-89.6	3.8	174.6	-55.5	-156.4	-170.8	164.1	0	117.3	E51 F54 K63 P143 E146	E51-K56 WeakPolarHBondContact OE2-CE 3.08Å; E51-K56 WeakPolarHBondContact OE2-CG 3.37Å; F54-K56 PolarHBondContact O-N 2.84Å; K56-K63 WeakPolarHBondContact O-CD 3.11Å; K56-K63 WeakPolarHBondContact O-CE 3.43Å; K56-P143 PolarHBondContact NZ-O 3.26Å; K56-P143 VanDerWaalsContact NZ-O 3.12Å; K56-E146 HydrophobicContact CB-CB 4.48Å; K56-E146 HydrophobicContact CD-CB 3.79Å; K56-E146 HydrophobicContact CD-CG 4.01Å; K56-E146 VanDerWaalsContact CE-OE2 3.31Å; K56-E146 WeakPolarHBondContact CE-OE2 3.37Å; K56-E146 HydrophobicContact CG-CB 4.24Å; K56-E146 HydrophobicContact CG-CG 4.24Å; K56-E146 IonicContact NZ-OE2 2.62Å; K56-E146 PolarHBondContact NZ-OE2 2.73Å
57	L	46.5	Very low	42	Very low	20 Å²	20	73.7 Å²	73.7	11%	0.105	43%	0.426	C	S	.	.	H	α-helix	trans	-72.3	-19.2	156.7	-176.4	144	0	0	0	110.5	F54 W168	F54-L57 HydrophobicContact CB-CB 3.4Å; F54-L57 HydrophobicContact CB-CD1 4.47Å; F54-L57 HydrophobicContact CD2-CD1 4.42Å; F54-L57 HydrophobicContact CG-CB 4.21Å; F54-L57 HydrophobicContact CG-CD1 4.45Å; F54-L57 WeakPolarHBondContact O-CB 3.46Å; F54-L57 PolarHBondContact O-N 3.11Å; L57-W168 HydrophobicContact CD1-CH2 3.54Å; L57-W168 HydrophobicContact CD1-CZ2 3.47Å; L57-W168 VanDerWaalsContact CD1-CZ2 3.47Å; L57-W168 HydrophobicContact CD1-CZ3 4.36Å; L57-W168 HydrophobicContact CD2-CZ2 3.76Å; L57-W168 HydrophobicContact CG-CZ2 4.31Å
58	L	39.8	Very low	41.6	Very low	118 Å²	118	73.3 Å²	73.3	62%	0.618	43%	0.425	S	S	*	.	H	α-helix	trans	-118.6	-12.8	-164.8	-62.7	165.8	0	0	0	114.3	T55 D60	T55-L58 PolarHBondContact O-N 3.32Å; L58-D60 PolarHBondContact O-N 2.86Å
59	A	46.3	Very low	41.4	Very low	78 Å²	78	72.9 Å²	72.9	65%	0.645	43%	0.427	S	S	*	.	S	Bend	trans	-73.3	-2.1	176.8	0	0	0	0	0	114.5	T55	T55-A59 PolarHBondContact O-N 3Å
60	D	37.8	Very low	41	Very low	52 Å²	52	79.7 Å²	79.7	28%	0.278	45%	0.449	S	S	.	.			trans	-144.7	119	-160.9	178.8	-7.1	0	0	0	111.5	L58 E62 K63	L58-D60 PolarHBondContact O-N 2.86Å; D60-E62 VanDerWaalsContact C-N 3.27Å; D60-E62 PolarHBondContact O-N 2.87Å; D60-E62 PolarHBondContact OD1-N 3.22Å; D60-K63 HydrophobicContact CB-CD 4.04Å; D60-K63 HydrophobicContact CB-CG 4.05Å; D60-K63 IonicContact OD2-NZ 3.2Å; D60-K63 PolarHBondContact OD2-NZ 3.11Å
61	P	46	Very low	40.5	Very low	100 Å²	100	77.4 Å²	77.4	65%	0.649	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-16.6	-178.6	30.4	-35.6	0	0	0	114	L64	P61-L64 WeakPolarHBondContact O-CB 3.24Å; P61-L64 PolarHBondContact O-N 3.4Å
62	E	39.2	Very low	39.5	Very low	137 Å²	137	75 Å²	75	64%	0.64	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-18.6	-179.5	-62	-154	145.7	0	0	113.6	D60 L64 T65 V66	D60-E62 VanDerWaalsContact C-N 3.27Å; D60-E62 PolarHBondContact O-N 2.87Å; D60-E62 PolarHBondContact OD1-N 3.22Å; E62-L64 PolarHBondContact O-N 3.11Å; E62-L64 VanDerWaalsContact O-N 3.11Å; E62-T65 VanDerWaalsContact CA-OG1 3.27Å; E62-T65 WeakPolarHBondContact CA-OG1 3.06Å; E62-T65 PolarHBondContact O-N 2.78Å; E62-T65 PolarHBondContact O-OG1 2.82Å; E62-T65 VanDerWaalsContact O-OG1 3.09Å; E62-V66 PolarHBondContact O-N 3.05Å
63	K	43.7	Very low	38.8	Very low	77 Å²	77	77.3 Å²	77.3	34%	0.335	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.1	165	-67	-176	177.8	75.5	0	112.1	K56 D60 M67	K56-K63 WeakPolarHBondContact O-CD 3.11Å; K56-K63 WeakPolarHBondContact O-CE 3.43Å; D60-K63 HydrophobicContact CB-CD 4.04Å; D60-K63 HydrophobicContact CB-CG 4.05Å; D60-K63 IonicContact OD2-NZ 3.2Å; D60-K63 PolarHBondContact OD2-NZ 3.11Å; K63-M67 WeakPolarHBondContact O-CE 3.27Å
64	L	37.7	Very low	38.4	Very low	93 Å²	93	76.8 Å²	76.8	49%	0.487	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-18.4	169.5	-65.3	124.7	0	0	0	114.1	P61 E62 L68	P61-L64 WeakPolarHBondContact O-CB 3.24Å; P61-L64 PolarHBondContact O-N 3.4Å; E62-L64 PolarHBondContact O-N 3.11Å; E62-L64 VanDerWaalsContact O-N 3.11Å; L64-L68 WeakPolarHBondContact O-CD1 3.43Å; L64-L68 VanDerWaalsContact O-CG 3.24Å; L64-L68 WeakPolarHBondContact O-CG 3.42Å; L64-L68 PolarHBondContact O-N 3.44Å
65	T	34	Very low	38	Very low	68 Å²	68	81.9 Å²	81.9	42%	0.417	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-23	-172.9	55	0	0	0	0	115.4	E62 M67 L68 G69	E62-T65 VanDerWaalsContact CA-OG1 3.27Å; E62-T65 WeakPolarHBondContact CA-OG1 3.06Å; E62-T65 PolarHBondContact O-N 2.78Å; E62-T65 PolarHBondContact O-OG1 2.82Å; E62-T65 VanDerWaalsContact O-OG1 3.09Å; T65-M67 VanDerWaalsContact C-N 3.28Å; T65-L68 CarbonylContact O-C 3.51Å; T65-L68 WeakPolarHBondContact O-CA 3.45Å; T65-L68 PolarHBondContact O-N 3.43Å; T65-G69 PolarHBondContact O-N 3.3Å; T65-G69 VanDerWaalsContact O-N 3.11Å
66	V	36.5	Very low	37.4	Very low	101 Å²	101	83.4 Å²	83.4	61%	0.612	46%	0.458	S	S	*	.	S	Bend	trans	-68.8	-31.9	164	178.5	0	0	0	0	110.5	E62 L68	E62-V66 PolarHBondContact O-N 3.05Å; V66-L68 VanDerWaalsContact C-N 3.26Å; V66-L68 PolarHBondContact O-N 2.89Å
67	M	37.4	Very low	36.8	Very low	84 Å²	84	84.5 Å²	84.5	41%	0.414	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-23.2	166.2	-64.8	-162	-101.8	0	0	113.3	K63 T65 L162	K63-M67 WeakPolarHBondContact O-CE 3.27Å; T65-M67 VanDerWaalsContact C-N 3.28Å; M67-L162 VanDerWaalsContact CG-O 3.27Å; M67-L162 WeakPolarHBondContact CG-O 3.3Å; M67-L162 VanDerWaalsContact SD-O 3.36Å
68	L	28.9	Very low	36.2	Very low	124 Å²	124	91.3 Å²	91.3	65%	0.649	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	40.6	176.6	-63.1	167.4	0	0	0	111.8	L64 T65 V66 K70	L64-L68 WeakPolarHBondContact O-CD1 3.43Å; L64-L68 VanDerWaalsContact O-CG 3.24Å; L64-L68 WeakPolarHBondContact O-CG 3.42Å; L64-L68 PolarHBondContact O-N 3.44Å; T65-L68 CarbonylContact O-C 3.51Å; T65-L68 WeakPolarHBondContact O-CA 3.45Å; T65-L68 PolarHBondContact O-N 3.43Å; V66-L68 VanDerWaalsContact C-N 3.26Å; V66-L68 PolarHBondContact O-N 2.89Å; L68-K70 PolarHBondContact O-N 3Å
69	G	32.1	Very low	35.9	Very low	36 Å²	36	87.3 Å²	87.3	37%	0.371	48%	0.475	S	S	.	.			trans	-56.7	88.9	-170	0	0	0	0	0	115.4	T65 G71 G72	T65-G69 PolarHBondContact O-N 3.3Å; T65-G69 VanDerWaalsContact O-N 3.11Å; G69-G71 PolarHBondContact O-N 2.9Å; G69-G72 PolarHBondContact O-N 3.17Å
70	K	30.4	Very low	35.3	Very low	220 Å²	220	86.6 Å²	86.6	96%	0.957	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	59.6	168.5	-76.8	-171.7	173.9	179.4	0	111.4	L68	L68-K70 PolarHBondContact O-N 3Å
71	G	31.6	Very low	35.2	Very low	75 Å²	75	85.3 Å²	85.3	77%	0.773	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	169	-18.8	-176	0	0	0	0	0	115.5	G69	G69-G71 PolarHBondContact O-N 2.9Å
72	G	29.3	Very low	34.7	Very low	21 Å²	21	89.2 Å²	89.2	22%	0.216	45%	0.454	C	S	.	.			trans	148	134.5	171.2	0	0	0	0	0	115.8	G69	G69-G72 PolarHBondContact O-N 3.17Å
73	Q	34.4	Very low	34.7	Very low	94 Å²	94	84.4 Å²	84.4	44%	0.439	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-75.3	-156.7	178.3	-54.1	170	64.4	0	0	111.9	F125 A126 Y127 C128	Q73-F125 HydrophobicContact CB-CD2 3.32Å; Q73-F125 HydrophobicContact CB-CE2 3.7Å; Q73-F125 HydrophobicContact CB-CG 3.99Å; Q73-F125 HydrophobicContact CG-CD2 4.14Å; Q73-F125 HydrophobicContact CG-CE2 4.45Å; Q73-F125 PolarHBondContact N-O 2.76Å; Q73-F125 VanDerWaalsContact OE1-CD2 3.26Å; Q73-A126 CarbonylContact O-C 3.6Å; Q73-Y127 CarbonylContact O-C 3.4Å; Q73-Y127 WeakPolarHBondContact O-CA 3.09Å; Q73-Y127 PolarHBondContact O-N 2.75Å; Q73-C128 PolarHBondContact O-N 3.45Å
74	C	37.5	Very low	34.3	Very low	12 Å²	12	86.8 Å²	86.8	8%	0.081	45%	0.45	C	S	.	.	S	Bend	trans	-83.9	-179.7	-176.7	-129.4	0	0	0	0	116.1	F125 A126 C128	C74-F125 HydrophobicContact CB-CD1 3.74Å; C74-F125 HydrophobicContact CB-CE1 3.37Å; C74-F125 HydrophobicContact CB-CZ 3.91Å; C74-F125 CarbonylContact O-C 3.47Å; C74-F125 WeakPolarHBondContact O-CB 3.41Å; C74-F125 WeakPolarHBondContact O-CD1 3.07Å; C74-F125 WeakPolarHBondContact O-CG 3.37Å; C74-A126 CarbonylContact O-C 3.02Å; C74-A126 PolarHBondContact O-N 2.66Å; C74-C128 VanDerWaalsContact CA-SG 3.52Å; C74-C128 HydrophobicContact CB-CB 3.84Å; C74-C128 WeakPolarHBondContact CB-SG 3.05Å; C74-C128 WeakPolarHBondContact SG-CB 3.17Å; C74-C128 PolarHBondContact SG-O 3.3Å; C74-C128 VanDerWaalsContact SG-O 3.39Å; C74-C128 CovalentContact SG-SG 2.04Å; C74-C128 PolarHBondContact SG-SG 3.36Å
75	R	35.2	Very low	34.1	Very low	113 Å²	113	88.1 Å²	88.1	43%	0.426	45%	0.449	S	S	.	.			trans	-76.8	143.3	-176.5	-80.4	-165.8	-164.7	126.4	6.8	114.5	A126 L129 A130	R75-A126 WeakPolarHBondContact CG-O 3.47Å; R75-L129 HydrophobicContact CB-CB 3.75Å; R75-L129 HydrophobicContact CB-CD2 4.14Å; R75-L129 HydrophobicContact CG-CB 3.53Å; R75-L129 HydrophobicContact CG-CD2 4.39Å; R75-L129 PolarHBondContact NH1-O 3.14Å; R75-L129 PolarHBondContact NH2-O 2.72Å; R75-A130 VanDerWaalsContact NH2-CA 3.34Å; R75-A130 VanDerWaalsContact NH2-CB 3.34Å
76	R	34.7	Very low	34.2	Very low	89 Å²	89	87 Å²	87	34%	0.336	45%	0.447	S	S	.	.	S	Bend	trans	-85.4	-26.2	-130.7	-34.9	-173.5	99.8	-167.2	-1.2	119.4	R80 G123 D124 F125	R76-R80 WeakPolarHBondContact O-CD 3.4Å; R76-R80 PolarHBondContact O-NH1 3.36Å; R76-G123 PolarHBondContact NH2-O 3.45Å; R76-D124 WeakPolarHBondContact CB-OD1 3.31Å; R76-D124 WeakPolarHBondContact CD-OD1 3.48Å; R76-D124 WeakPolarHBondContact CD-OD2 3.23Å; R76-D124 WeakPolarHBondContact CG-OD1 3.37Å; R76-D124 VanDerWaalsContact CZ-CB 3.41Å; R76-D124 IonicContact CZ-OD1 3.13Å; R76-D124 IonicContact CZ-OD2 3.58Å; R76-D124 IonicContact NE-OD1 2.74Å; R76-D124 PolarHBondContact NE-OD1 3.08Å; R76-D124 IonicContact NE-OD2 2.7Å; R76-D124 PolarHBondContact NE-OD2 3.4Å; R76-D124 IonicContact NH1-OD2 2.66Å; R76-D124 PolarHBondContact NH1-OD2 3.35Å; R76-F125 HydrophobicContact CB-CB 3.7Å; R76-F125 HydrophobicContact CG-CB 3.86Å; R76-F125 PolarHBondContact NE-O 3.19Å; R76-F125 PolarHBondContact NH2-O 2.78Å
77	H	33.6	Very low	34	Very low	63 Å²	63	84.3 Å²	84.3	29%	0.292	43%	0.426	S	S	.	.	S	Bend	trans	-124.2	-47	-175.2	-67.9	104.2	0	0	0	117.8	R80 E119 D124	H77-R80 PolarHBondContact O-N 3.08Å; H77-E119 IonicContact CE1-OE1 3.72Å; H77-E119 IonicContact CE1-OE2 3.31Å; H77-E119 PolarHBondContact CE1-OE2 3.39Å; H77-E119 VanDerWaalsContact CE1-OE2 3.31Å; H77-E119 WeakPolarHBondContact NE2-CB 2.99Å; H77-E119 VanDerWaalsContact NE2-CD 3.29Å; H77-E119 WeakPolarHBondContact NE2-CG 3.36Å; H77-E119 IonicContact NE2-OE2 3.26Å; H77-E119 PolarHBondContact NE2-OE2 2.69Å; H77-D124 IonicContact CE1-OD1 3.23Å; H77-D124 PolarHBondContact CE1-OD1 3.17Å; H77-D124 VanDerWaalsContact CE1-OD1 3.23Å; H77-D124 IonicContact NE2-OD1 3.74Å
78	H	33.9	Very low	33.8	Very low	162 Å²	162	82.4 Å²	82.4	75%	0.75	42%	0.424	S	S	*	.	H	α-helix	trans	-73.8	-27.6	-176.3	-85.8	3.4	0	0	0	114.5	R82	H78-R82 WeakPolarHBondContact O-CB 3.16Å; H78-R82 PolarHBondContact O-N 2.99Å; H78-R82 VanDerWaalsContact O-N 3.09Å
79	V	33.8	Very low	33.9	Very low	34 Å²	34	80.4 Å²	80.4	21%	0.206	42%	0.419	C	S	.	.	H	α-helix	trans	-65.6	-40.7	172.6	-177.6	0	0	0	0	110.3	A81 R82 V83	V79-A81 PolarHBondContact O-N 3.19Å; V79-R82 CarbonylContact O-C 3.59Å; V79-R82 PolarHBondContact O-N 3.03Å; V79-R82 VanDerWaalsContact O-N 3.09Å; V79-V83 HydrophobicContact CG1-CG2 3.86Å; V79-V83 WeakPolarHBondContact O-CG2 2.92Å; V79-V83 PolarHBondContact O-N 2.87Å
80	R	34	Very low	34.1	Very low	63 Å²	63	81 Å²	81	24%	0.238	42%	0.421	C	S	.	.	H	α-helix	trans	-60.4	-41.7	-179	-72.3	-174.2	163.2	143.1	-8.5	113.6	R76 H77 D124	R76-R80 WeakPolarHBondContact O-CD 3.4Å; R76-R80 PolarHBondContact O-NH1 3.36Å; H77-R80 PolarHBondContact O-N 3.08Å; R80-D124 VanDerWaalsContact CZ-O 3.27Å; R80-D124 VanDerWaalsContact NH1-C 3.29Å; R80-D124 PolarHBondContact NH1-O 3.41Å; R80-D124 PolarHBondContact NH2-O 3.47Å
81	A	34.5	Very low	34.2	Very low	26 Å²	26	72.2 Å²	72.2	22%	0.215	39%	0.387	C	S	.	.	H	α-helix	trans	-74.9	-32.8	173.7	0	0	0	0	0	112.6	V79 Y85	V79-A81 PolarHBondContact O-N 3.19Å; A81-Y85 WeakPolarHBondContact O-CB 3.47Å; A81-Y85 PolarHBondContact O-N 2.6Å; A81-Y85 VanDerWaalsContact O-N 3.12Å
82	R	36.9	Very low	34.1	Very low	182 Å²	182	77.7 Å²	77.7	69%	0.687	39%	0.392	S	S	*	.	H	α-helix	trans	-79.6	-27.2	-179.3	-80.3	-175.1	164.7	-174.4	-4.2	115.1	H78 V79 L84 Y85 A86	H78-R82 WeakPolarHBondContact O-CB 3.16Å; H78-R82 PolarHBondContact O-N 2.99Å; H78-R82 VanDerWaalsContact O-N 3.09Å; V79-R82 CarbonylContact O-C 3.59Å; V79-R82 PolarHBondContact O-N 3.03Å; V79-R82 VanDerWaalsContact O-N 3.09Å; R82-L84 VanDerWaalsContact C-N 3.26Å; R82-L84 PolarHBondContact O-N 3.04Å; R82-Y85 PolarHBondContact O-N 3.22Å; R82-A86 WeakPolarHBondContact O-CB 3.49Å; R82-A86 PolarHBondContact O-N 3.24Å
83	V	38.3	Very low	34	Very low	36 Å²	36	82.7 Å²	82.7	22%	0.218	41%	0.405	C	S	.	.	H	α-helix	trans	-63.2	-38	170.5	169.9	0	0	0	0	110.2	V79 D159 V160	V79-V83 HydrophobicContact CG1-CG2 3.86Å; V79-V83 WeakPolarHBondContact O-CG2 2.92Å; V79-V83 PolarHBondContact O-N 2.87Å; V83-D159 HydrophobicContact CG2-CB 3.92Å; V83-D159 WeakPolarHBondContact CG2-OD2 3.23Å; V83-V160 HydrophobicContact CG1-CG2 3.81Å
84	L	36.2	Very low	33.9	Very low	126 Å²	126	80.8 Å²	80.8	66%	0.66	40%	0.397	S	S	*	.	H	α-helix	trans	-67.2	-42.8	173	-63.2	169.7	0	0	0	112.4	R82	R82-L84 VanDerWaalsContact C-N 3.26Å; R82-L84 PolarHBondContact O-N 3.04Å
85	Y	32.7	Very low	33.5	Very low	121 Å²	121	83.4 Å²	83.4	48%	0.475	41%	0.413	S	S	.	.	H	α-helix	trans	-83.9	-40.8	-174.2	-174.3	-97.1	0	0	0	115	A81 R82 Y87 A88 C89 W100	A81-Y85 WeakPolarHBondContact O-CB 3.47Å; A81-Y85 PolarHBondContact O-N 2.6Å; A81-Y85 VanDerWaalsContact O-N 3.12Å; R82-Y85 PolarHBondContact O-N 3.22Å; Y85-Y87 VanDerWaalsContact C-N 3.29Å; Y85-Y87 PolarHBondContact O-N 2.85Å; Y85-A88 PolarHBondContact O-N 2.74Å; Y85-C89 HydrophobicContact CE1-CB 4.31Å; Y85-C89 WeakPolarHBondContact O-CB 3.4Å; Y85-C89 PolarHBondContact O-N 3.06Å; Y85-W100 HydrophobicContact CD2-CH2 4.02Å; Y85-W100 AromaticContact CD2-CZ2 3.57Å; Y85-W100 HydrophobicContact CD2-CZ2 3.57Å; Y85-W100 HydrophobicContact CE2-CZ2 4.03Å
86	A	36.9	Very low	33.4	Very low	45 Å²	45	81.2 Å²	81.2	37%	0.372	41%	0.411	S	S	.	.	H	α-helix	trans	-65.7	-34.3	-177.4	0	0	0	0	0	111.6	R82 C89 A90	R82-A86 WeakPolarHBondContact O-CB 3.49Å; R82-A86 PolarHBondContact O-N 3.24Å; A86-C89 PolarHBondContact O-N 3.43Å; A86-A90 VanDerWaalsContact O-CB 3.28Å; A86-A90 WeakPolarHBondContact O-CB 3.24Å; A86-A90 PolarHBondContact O-N 2.73Å
87	Y	32.5	Very low	33.3	Very low	45 Å²	45	80.2 Å²	80.2	18%	0.176	41%	0.413	C	S	.	.	H	α-helix	trans	-67.2	-36.9	175.2	-143.8	-86.1	0	0	0	113	Y85 L157 L201 R204	Y85-Y87 VanDerWaalsContact C-N 3.29Å; Y85-Y87 PolarHBondContact O-N 2.85Å; Y87-L157 HydrophobicContact CE2-CB 3.96Å; Y87-L157 HydrophobicContact CE2-CD1 3.73Å; Y87-L157 HydrophobicContact CE2-CG 3.7Å; Y87-L157 VanDerWaalsContact OH-CD1 3.25Å; Y87-L157 WeakPolarHBondContact OH-CD1 3.29Å; Y87-L201 HydrophobicContact CD1-CB 4.43Å; Y87-L201 HydrophobicContact CD1-CD1 4.46Å; Y87-L201 HydrophobicContact CD2-CD1 4.21Å; Y87-L201 HydrophobicContact CE1-CB 3.68Å; Y87-L201 HydrophobicContact CE1-CD1 3.83Å; Y87-L201 HydrophobicContact CE1-CG 4.32Å; Y87-L201 HydrophobicContact CE2-CD1 3.57Å; Y87-L201 PolarHBondContact OH-O 2.83Å; Y87-R204 WeakPolarHBondContact OH-CB 3.47Å; Y87-R204 VanDerWaalsContact OH-CD 3.31Å; Y87-R204 WeakPolarHBondContact OH-CD 3.36Å; Y87-R204 WeakPolarHBondContact OH-CG 3.31Å; Y87-R204 PolarHBondContact OH-NH1 3.44Å
88	A	32	Very low	33.3	Very low	44 Å²	44	83.6 Å²	83.6	36%	0.364	43%	0.433	S	S	.	.	H	α-helix	trans	-67.3	-41.3	172.6	0	0	0	0	0	111.9	Y85 V96	Y85-A88 PolarHBondContact O-N 2.74Å; A88-V96 HydrophobicContact CB-CG2 3.92Å
89	C	32.2	Very low	33.5	Very low	82 Å²	82	82.7 Å²	82.7	55%	0.554	43%	0.432	S	S	*	.	H	α-helix	trans	-74.1	-36.2	-174.4	-153.3	0	0	0	0	113.4	Y85 A86 S91	Y85-C89 HydrophobicContact CE1-CB 4.31Å; Y85-C89 WeakPolarHBondContact O-CB 3.4Å; Y85-C89 PolarHBondContact O-N 3.06Å; A86-C89 PolarHBondContact O-N 3.43Å; C89-S91 VanDerWaalsContact C-N 3.26Å; C89-S91 PolarHBondContact O-N 3.43Å; C89-S91 VanDerWaalsContact O-N 3.09Å
90	A	36.6	Very low	33.9	Very low	49 Å²	49	84.1 Å²	84.1	41%	0.405	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	11.9	-170.2	0	0	0	0	0	116.3	A86 R204	A86-A90 VanDerWaalsContact O-CB 3.28Å; A86-A90 WeakPolarHBondContact O-CB 3.24Å; A86-A90 PolarHBondContact O-N 2.73Å; A90-R204 PolarHBondContact O-NH2 2.83Å
91	S	31.7	Very low	34.1	Very low	34 Å²	34	86.1 Å²	86.1	24%	0.238	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-149	17.8	173.9	-83.5	0	0	0	0	116.9	C89 R93 R204	C89-S91 VanDerWaalsContact C-N 3.26Å; C89-S91 PolarHBondContact O-N 3.43Å; C89-S91 VanDerWaalsContact O-N 3.09Å; S91-R93 PolarHBondContact O-N 3.38Å; S91-R204 PolarHBondContact OG-NE 2.83Å
92	Q	28.3	Very low	34.5	Very low	191 Å²	191	91.6 Å²	91.6	89%	0.893	46%	0.463	S	S	*	.	S	Bend	trans	56.9	16.7	157.9	-149.7	175	44.8	0	0	116.5
93	R	29.2	Very low	34.9	Very low	125 Å²	125	84.9 Å²	84.9	47%	0.472	44%	0.439	S	S	.	.			trans	-172	103.6	178.7	-111.8	157.3	146.9	156.5	3.1	108.1	S91 S216 C218	S91-R93 PolarHBondContact O-N 3.38Å; R93-S216 PolarHBondContact O-OG 3.1Å; R93-C218 HydrophobicContact CG-CB 4.17Å; R93-C218 PolarHBondContact NE-O 2.86Å; R93-C218 PolarHBondContact NH2-O 2.93Å
94	I	31	Very low	35.3	Very low	55 Å²	55	87.1 Å²	87.1	28%	0.282	45%	0.449	S	S	.	.				-169.8	136.6	125.6	-78.3	-128.3	0	0	0	107.7	V96 R200	I94-V96 WeakPolarHBondContact O-CG2 3.19Å; I94-V96 PolarHBondContact O-N 3.27Å; I94-R200 VanDerWaalsContact CD1-NH2 3.26Å
95	V	28.4	Very low	35.8	Very low	67 Å²	67	88.1 Å²	88.1	41%	0.406	45%	0.45	S	S	.	.			trans	-50.8	119	167	164.3	0	0	0	0	110.2	D97 D220	V95-D97 WeakPolarHBondContact CA-OD1 3.38Å; V95-D97 HydrophobicContact CG1-CB 3.74Å; V95-D220 VanDerWaalsContact CG2-OD1 3.31Å; V95-D220 WeakPolarHBondContact CG2-OD1 3.29Å
96	V	33.7	Very low	36.5	Very low	66 Å²	66	85.2 Å²	85.2	40%	0.4	44%	0.441	S	S	.	.			trans	-107.9	20.3	171.5	-155.8	0	0	0	0	109.4	A88 I94 D98 W100	A88-V96 HydrophobicContact CB-CG2 3.92Å; I94-V96 WeakPolarHBondContact O-CG2 3.19Å; I94-V96 PolarHBondContact O-N 3.27Å; V96-D98 PolarHBondContact O-N 3.19Å; V96-W100 HydrophobicContact CB-CB 4.15Å; V96-W100 HydrophobicContact CG1-CB 3.68Å; V96-W100 HydrophobicContact CG1-CG 4.45Å; V96-W100 WeakPolarHBondContact O-CB 3.25Å; V96-W100 PolarHBondContact O-N 3.19Å
97	D	32.8	Very low	36.9	Very low	68 Å²	68	86.3 Å²	86.3	36%	0.364	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-8.2	-138.4	-59.4	5	0	0	0	115.5	V95 Y101	V95-D97 WeakPolarHBondContact CA-OD1 3.38Å; V95-D97 HydrophobicContact CG1-CB 3.74Å; D97-Y101 VanDerWaalsContact CA-CD2 3.46Å; D97-Y101 HydrophobicContact CB-CD2 4.16Å; D97-Y101 HydrophobicContact CB-CE2 3.85Å; D97-Y101 VanDerWaalsContact O-CB 3.23Å; D97-Y101 WeakPolarHBondContact O-CB 3.27Å; D97-Y101 WeakPolarHBondContact O-CD2 3.24Å
98	D	34.3	Very low	37.4	Very low	135 Å²	135	89.9 Å²	89.9	72%	0.722	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-63.9	176.2	-55.7	-48.5	0	0	0	111	V96 Y101 E102	V96-D98 PolarHBondContact O-N 3.19Å; D98-Y101 PolarHBondContact O-N 3.13Å; D98-E102 WeakPolarHBondContact O-CB 3.03Å; D98-E102 PolarHBondContact O-N 3.29Å
99	I	36.6	Very low	38.5	Very low	143 Å²	143	94 Å²	94	73%	0.733	48%	0.478	S	S	*	.	H	α-helix	trans	-77.1	-32.4	-168.8	-55.8	175	0	0	0	112.4	F103	I99-F103 WeakPolarHBondContact O-CB 3.19Å; I99-F103 PolarHBondContact O-N 3.15Å
100	W	42.7	Very low	39.4	Very low	64 Å²	64	93.3 Å²	93.3	24%	0.242	47%	0.468	C	S	.	.	H	α-helix	trans	-74.5	-30.9	174.9	175.8	-104.6	0	0	0	111.8	Y85 V96 F103 I104	Y85-W100 HydrophobicContact CD2-CH2 4.02Å; Y85-W100 AromaticContact CD2-CZ2 3.57Å; Y85-W100 HydrophobicContact CD2-CZ2 3.57Å; Y85-W100 HydrophobicContact CE2-CZ2 4.03Å; V96-W100 HydrophobicContact CB-CB 4.15Å; V96-W100 HydrophobicContact CG1-CB 3.68Å; V96-W100 HydrophobicContact CG1-CG 4.45Å; V96-W100 WeakPolarHBondContact O-CB 3.25Å; V96-W100 PolarHBondContact O-N 3.19Å; W100-F103 AromaticContact CE3-CD1 3.97Å; W100-F103 HydrophobicContact CE3-CD1 3.97Å; W100-F103 AromaticContact CZ3-CD1 3.84Å; W100-F103 HydrophobicContact CZ3-CD1 3.84Å; W100-F103 AromaticContact CZ3-CE1 3.99Å; W100-F103 HydrophobicContact CZ3-CE1 3.99Å; W100-F103 PolarHBondContact O-N 2.78Å; W100-I104 HydrophobicContact CZ2-CD1 3.81Å; W100-I104 HydrophobicContact CZ2-CG1 4.47Å; W100-I104 WeakPolarHBondContact O-CB 3.41Å; W100-I104 WeakPolarHBondContact O-CG2 3.12Å; W100-I104 PolarHBondContact O-N 2.85Å
101	Y	38.6	Very low	39.8	Very low	104 Å²	104	92.9 Å²	92.9	41%	0.408	46%	0.458	S	S	.	.	H	α-helix	trans	-75.9	-47.2	179.5	-74.2	-127.5	0	0	0	109.9	D97 D98 F103 I104 E105	D97-Y101 VanDerWaalsContact CA-CD2 3.46Å; D97-Y101 HydrophobicContact CB-CD2 4.16Å; D97-Y101 HydrophobicContact CB-CE2 3.85Å; D97-Y101 VanDerWaalsContact O-CB 3.23Å; D97-Y101 WeakPolarHBondContact O-CB 3.27Å; D97-Y101 WeakPolarHBondContact O-CD2 3.24Å; D98-Y101 PolarHBondContact O-N 3.13Å; Y101-F103 PolarHBondContact O-N 3.36Å; Y101-F103 VanDerWaalsContact O-N 3.1Å; Y101-I104 PolarHBondContact O-N 3.25Å; Y101-E105 VanDerWaalsContact O-CB 3.28Å; Y101-E105 WeakPolarHBondContact O-CB 3.42Å; Y101-E105 VanDerWaalsContact O-CG 3.29Å; Y101-E105 WeakPolarHBondContact O-CG 3.49Å; Y101-E105 PolarHBondContact O-N 2.87Å
102	E	42.4	Very low	40.5	Very low	141 Å²	141	96.4 Å²	96.4	66%	0.659	47%	0.472	S	S	*	.	H	α-helix	trans	-57	-28.4	172.5	-171.8	176	-145.4	0	0	112.4	D98 Q106	D98-E102 WeakPolarHBondContact O-CB 3.03Å; D98-E102 PolarHBondContact O-N 3.29Å; E102-Q106 VanDerWaalsContact O-CG 3.29Å; E102-Q106 WeakPolarHBondContact O-CG 3.42Å; E102-Q106 PolarHBondContact O-NE2 2.85Å
103	F	46.4	Very low	41.7	Very low	42 Å²	42	93.1 Å²	93.1	18%	0.184	46%	0.457	C	S	.	.	H	α-helix	trans	-79.9	-46.7	173.5	176.5	-103.7	0	0	0	114	I99 W100 Y101 Q106 Q111 I114 L115	I99-F103 WeakPolarHBondContact O-CB 3.19Å; I99-F103 PolarHBondContact O-N 3.15Å; W100-F103 AromaticContact CE3-CD1 3.97Å; W100-F103 HydrophobicContact CE3-CD1 3.97Å; W100-F103 AromaticContact CZ3-CD1 3.84Å; W100-F103 HydrophobicContact CZ3-CD1 3.84Å; W100-F103 AromaticContact CZ3-CE1 3.99Å; W100-F103 HydrophobicContact CZ3-CE1 3.99Å; W100-F103 PolarHBondContact O-N 2.78Å; Y101-F103 PolarHBondContact O-N 3.36Å; Y101-F103 VanDerWaalsContact O-N 3.1Å; F103-Q106 WeakPolarHBondContact O-CB 3.49Å; F103-Q106 WeakPolarHBondContact O-CG 3.33Å; F103-Q106 PolarHBondContact O-N 3.27Å; F103-Q111 HydrophobicContact CE2-CB 4.43Å; F103-Q111 HydrophobicContact CZ-CB 4.28Å; F103-Q111 HydrophobicContact CZ-CG 4.46Å; F103-I114 HydrophobicContact CD2-CD1 4.03Å; F103-I114 HydrophobicContact CD2-CG2 4.09Å; F103-I114 HydrophobicContact CE2-CB 4.08Å; F103-I114 HydrophobicContact CE2-CD1 4.29Å; F103-I114 HydrophobicContact CE2-CG2 3.79Å; F103-L115 HydrophobicContact CZ-CD1 4.5Å; F103-L115 HydrophobicContact CZ-CD2 4.45Å; F103-L115 HydrophobicContact CZ-CG 4.3Å
104	I	45.8	Very low	42.9	Very low	83 Å²	83	90 Å²	90	43%	0.426	45%	0.449	S	S	.	.	H	α-helix	trans	-78.9	-21.5	-175.1	-154.9	178.4	0	0	0	113.1	W100 Y101 Q106 Q111	W100-I104 HydrophobicContact CZ2-CD1 3.81Å; W100-I104 HydrophobicContact CZ2-CG1 4.47Å; W100-I104 WeakPolarHBondContact O-CB 3.41Å; W100-I104 WeakPolarHBondContact O-CG2 3.12Å; W100-I104 PolarHBondContact O-N 2.85Å; Y101-I104 PolarHBondContact O-N 3.25Å; I104-Q106 PolarHBondContact O-N 3.5Å; I104-Q111 PolarHBondContact O-NE2 2.78Å
105	E	46.4	Very low	43.8	Very low	147 Å²	147	89.7 Å²	89.7	69%	0.687	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-7.5	172.7	-68.6	-179.8	-177.5	0	0	112.7	Y101	Y101-E105 VanDerWaalsContact O-CB 3.28Å; Y101-E105 WeakPolarHBondContact O-CB 3.42Å; Y101-E105 VanDerWaalsContact O-CG 3.29Å; Y101-E105 WeakPolarHBondContact O-CG 3.49Å; Y101-E105 PolarHBondContact O-N 2.87Å
106	Q	47	Very low	44.7	Very low	59 Å²	59	91.3 Å²	91.3	28%	0.276	45%	0.451	S	S	.	.	S	Bend	trans	-72	145	169.8	-57.5	-52.1	-46.9	0	0	111.2	E102 F103 I104 I110 Q111 I114	E102-Q106 VanDerWaalsContact O-CG 3.29Å; E102-Q106 WeakPolarHBondContact O-CG 3.42Å; E102-Q106 PolarHBondContact O-NE2 2.85Å; F103-Q106 WeakPolarHBondContact O-CB 3.49Å; F103-Q106 WeakPolarHBondContact O-CG 3.33Å; F103-Q106 PolarHBondContact O-N 3.27Å; I104-Q106 PolarHBondContact O-N 3.5Å; Q106-I110 HydrophobicContact CB-CB 3.99Å; Q106-I110 HydrophobicContact CB-CG2 3.79Å; Q106-I110 HydrophobicContact CG-CG2 3.87Å; Q106-Q111 HydrophobicContact CB-CG 3.98Å; Q106-Q111 PolarHBondContact O-NE2 3.35Å; Q106-I114 HydrophobicContact CG-CD1 4.24Å
107	P	46.4	Very low	45.7	Very low	69 Å²	69	91 Å²	91	45%	0.448	45%	0.454	S	S	.	.			trans	-55.2	151.4	167.1	-22.8	32.3	0	0	0	112.3	E109 I110 Q111	P107-E109 PolarHBondContact O-N 2.97Å; P107-E109 VanDerWaalsContact O-N 3.1Å; P107-I110 HydrophobicContact CG-CD1 4.44Å; P107-I110 CarbonylContact O-C 3.23Å; P107-I110 WeakPolarHBondContact O-CA 3.38Å; P107-I110 PolarHBondContact O-N 3.33Å; P107-Q111 PolarHBondContact O-N 2.92Å
108	D	43.7	Very low	46.3	Very low	119 Å²	119	94.8 Å²	94.8	64%	0.636	47%	0.465	S	S	*	.	H	α-helix	trans	-49.2	-39.1	178.2	-69.5	14.3	0	0	0	112.6	I110 Q111 M112	D108-I110 VanDerWaalsContact C-N 3.32Å; D108-I110 PolarHBondContact O-N 3.23Å; D108-Q111 PolarHBondContact O-N 3.38Å; D108-M112 WeakPolarHBondContact O-CB 3.22Å; D108-M112 VanDerWaalsContact O-CG 3.22Å; D108-M112 WeakPolarHBondContact O-CG 3Å; D108-M112 PolarHBondContact O-N 3.35Å
109	E	53.4	Low	46.8	Very low	131 Å²	131	90 Å²	90	61%	0.612	44%	0.438	S	S	*	.	H	α-helix	trans	-65.6	-32.2	176.8	-63.1	79.4	-174.8	0	0	113	P107 Q113	P107-E109 PolarHBondContact O-N 2.97Å; P107-E109 VanDerWaalsContact O-N 3.1Å; E109-Q113 WeakPolarHBondContact O-CB 3.36Å; E109-Q113 WeakPolarHBondContact O-CG 3.32Å; E109-Q113 PolarHBondContact O-N 2.76Å; E109-Q113 PolarHBondContact O-NE2 3.12Å
110	I	51.2	Low	47.4	Very low	67 Å²	67	92.3 Å²	92.3	34%	0.344	44%	0.443	S	S	.	.	H	α-helix	trans	-83	-38.7	177.1	-64.9	-174.6	0	0	0	110.3	Q106 P107 D108 M112 Q113 I114	Q106-I110 HydrophobicContact CB-CB 3.99Å; Q106-I110 HydrophobicContact CB-CG2 3.79Å; Q106-I110 HydrophobicContact CG-CG2 3.87Å; P107-I110 HydrophobicContact CG-CD1 4.44Å; P107-I110 CarbonylContact O-C 3.23Å; P107-I110 WeakPolarHBondContact O-CA 3.38Å; P107-I110 PolarHBondContact O-N 3.33Å; D108-I110 VanDerWaalsContact C-N 3.32Å; D108-I110 PolarHBondContact O-N 3.23Å; I110-M112 VanDerWaalsContact C-N 3.32Å; I110-M112 PolarHBondContact O-N 3.12Å; I110-Q113 PolarHBondContact O-N 3.47Å; I110-Q113 VanDerWaalsContact O-N 3.13Å; I110-I114 HydrophobicContact CG2-CD1 3.99Å; I110-I114 HydrophobicContact CG2-CG1 4.43Å; I110-I114 VanDerWaalsContact O-CG1 3.31Å; I110-I114 WeakPolarHBondContact O-CG1 3.46Å; I110-I114 PolarHBondContact O-N 3.15Å
111	Q	44.6	Very low	47.5	Very low	40 Å²	40	96.9 Å²	96.9	19%	0.187	46%	0.464	C	S	.	.	H	α-helix	trans	-57	-47.4	169.4	-63.8	-174.9	27.9	0	0	110.7	F103 I104 Q106 P107 D108 Q113 I114 L115	F103-Q111 HydrophobicContact CE2-CB 4.43Å; F103-Q111 HydrophobicContact CZ-CB 4.28Å; F103-Q111 HydrophobicContact CZ-CG 4.46Å; I104-Q111 PolarHBondContact O-NE2 2.78Å; Q106-Q111 HydrophobicContact CB-CG 3.98Å; Q106-Q111 PolarHBondContact O-NE2 3.35Å; P107-Q111 PolarHBondContact O-N 2.92Å; D108-Q111 PolarHBondContact O-N 3.38Å; Q111-Q113 VanDerWaalsContact C-N 3.35Å; Q111-Q113 PolarHBondContact O-N 3.16Å; Q111-I114 PolarHBondContact O-N 2.83Å; Q111-L115 WeakPolarHBondContact O-CB 3.28Å; Q111-L115 VanDerWaalsContact O-CG 3.28Å; Q111-L115 WeakPolarHBondContact O-CG 3.46Å; Q111-L115 PolarHBondContact O-N 3.27Å
112	M	47.7	Very low	47.5	Very low	108 Å²	108	96.9 Å²	96.9	53%	0.532	47%	0.468	S	S	.	.	H	α-helix	trans	-62.5	-36.5	174.2	-76.7	-77.7	-77.6	0	0	112.5	D108 I110 H116	D108-M112 WeakPolarHBondContact O-CB 3.22Å; D108-M112 VanDerWaalsContact O-CG 3.22Å; D108-M112 WeakPolarHBondContact O-CG 3Å; D108-M112 PolarHBondContact O-N 3.35Å; I110-M112 VanDerWaalsContact C-N 3.32Å; I110-M112 PolarHBondContact O-N 3.12Å; M112-H116 VanDerWaalsContact O-CB 3.24Å; M112-H116 WeakPolarHBondContact O-CB 3.36Å; M112-H116 PolarHBondContact O-N 2.89Å
113	Q	52.6	Low	47	Very low	122 Å²	122	92.6 Å²	92.6	57%	0.57	46%	0.462	S	S	*	.	H	α-helix	trans	-68.7	-38	173.4	-81.6	167.5	85.1	0	0	113	E109 I110 Q111 A117	E109-Q113 WeakPolarHBondContact O-CB 3.36Å; E109-Q113 WeakPolarHBondContact O-CG 3.32Å; E109-Q113 PolarHBondContact O-N 2.76Å; E109-Q113 PolarHBondContact O-NE2 3.12Å; I110-Q113 PolarHBondContact O-N 3.47Å; I110-Q113 VanDerWaalsContact O-N 3.13Å; Q111-Q113 VanDerWaalsContact C-N 3.35Å; Q111-Q113 PolarHBondContact O-N 3.16Å; Q113-A117 WeakPolarHBondContact O-CB 3.18Å; Q113-A117 PolarHBondContact O-N 3.09Å
114	I	55.1	Low	46.7	Very low	61 Å²	61	92.3 Å²	92.3	31%	0.313	46%	0.462	S	S	.	.	H	α-helix	trans	-65.9	-44	175.2	-68	164.2	0	0	0	109.8	F103 Q106 I110 Q111 A117 Y118	F103-I114 HydrophobicContact CD2-CD1 4.03Å; F103-I114 HydrophobicContact CD2-CG2 4.09Å; F103-I114 HydrophobicContact CE2-CB 4.08Å; F103-I114 HydrophobicContact CE2-CD1 4.29Å; F103-I114 HydrophobicContact CE2-CG2 3.79Å; Q106-I114 HydrophobicContact CG-CD1 4.24Å; I110-I114 HydrophobicContact CG2-CD1 3.99Å; I110-I114 HydrophobicContact CG2-CG1 4.43Å; I110-I114 VanDerWaalsContact O-CG1 3.31Å; I110-I114 WeakPolarHBondContact O-CG1 3.46Å; I110-I114 PolarHBondContact O-N 3.15Å; Q111-I114 PolarHBondContact O-N 2.83Å; I114-A117 PolarHBondContact O-N 3.37Å; I114-Y118 PolarHBondContact O-N 2.86Å
115	L	49.2	Very low	46.3	Very low	47 Å²	47	89.6 Å²	89.6	25%	0.246	45%	0.447	C	S	.	.	H	α-helix	trans	-64.2	-47.9	175.3	-69.7	169.3	0	0	0	111.9	F103 Q111 A117 Y118 E119	F103-L115 HydrophobicContact CZ-CD1 4.5Å; F103-L115 HydrophobicContact CZ-CD2 4.45Å; F103-L115 HydrophobicContact CZ-CG 4.3Å; Q111-L115 WeakPolarHBondContact O-CB 3.28Å; Q111-L115 VanDerWaalsContact O-CG 3.28Å; Q111-L115 WeakPolarHBondContact O-CG 3.46Å; Q111-L115 PolarHBondContact O-N 3.27Å; L115-A117 VanDerWaalsContact C-N 3.33Å; L115-A117 PolarHBondContact O-N 2.91Å; L115-Y118 WeakPolarHBondContact O-CB 3.32Å; L115-Y118 PolarHBondContact O-N 3.36Å; L115-E119 WeakPolarHBondContact O-CB 3.5Å; L115-E119 PolarHBondContact O-N 3.2Å
116	H	48.9	Very low	45.7	Very low	102 Å²	102	84.1 Å²	84.1	47%	0.472	43%	0.427	S	S	.	.	H	α-helix	trans	-62.8	-35.9	173.9	-94.1	-47.6	0	0	0	112.2	M112 Y118 E119 K120	M112-H116 VanDerWaalsContact O-CB 3.24Å; M112-H116 WeakPolarHBondContact O-CB 3.36Å; M112-H116 PolarHBondContact O-N 2.89Å; H116-Y118 VanDerWaalsContact C-N 3.35Å; H116-E119 IonicContact CE1-OE2 3.38Å; H116-E119 PolarHBondContact CE1-OE2 2.6Å; H116-E119 IonicContact CG-OE2 3.72Å; H116-E119 IonicContact ND1-OE2 2.65Å; H116-E119 PolarHBondContact ND1-OE2 2.78Å; H116-E119 PolarHBondContact O-N 2.04Å; H116-K120 WeakPolarHBondContact O-CB 3.35Å; H116-K120 PolarHBondContact O-N 2.95Å
117	A	53.6	Low	45	Very low	58 Å²	58	86.5 Å²	86.5	48%	0.479	43%	0.434	S	S	.	.	H	α-helix	trans	-66.4	-39.4	175.7	0	0	0	0	0	111.1	Q113 I114 L115 K121	Q113-A117 WeakPolarHBondContact O-CB 3.18Å; Q113-A117 PolarHBondContact O-N 3.09Å; I114-A117 PolarHBondContact O-N 3.37Å; L115-A117 VanDerWaalsContact C-N 3.33Å; L115-A117 PolarHBondContact O-N 2.91Å; A117-K121 WeakPolarHBondContact O-CB 3.29Å; A117-K121 PolarHBondContact O-N 3.42Å; A117-K121 VanDerWaalsContact O-N 3.13Å
118	Y	46.1	Very low	44.4	Very low	148 Å²	148	85.2 Å²	85.2	58%	0.58	43%	0.427	S	S	*	.	H	α-helix	trans	-64.8	-49.6	171.6	-107.3	-82.1	0	0	0	112.2	I114 L115 H116 K121 H122	I114-Y118 PolarHBondContact O-N 2.86Å; L115-Y118 WeakPolarHBondContact O-CB 3.32Å; L115-Y118 PolarHBondContact O-N 3.36Å; H116-Y118 VanDerWaalsContact C-N 3.35Å; Y118-K121 CarbonylContact O-C 3.58Å; Y118-K121 PolarHBondContact O-N 2.88Å; Y118-H122 AromaticContact CD1-CD2 3.89Å; Y118-H122 WeakPolarHBondContact O-CB 3.44Å; Y118-H122 PolarHBondContact O-CD2 3.4Å; Y118-H122 PolarHBondContact O-N 2.96Å
119	E	44.9	Very low	43.9	Very low	35 Å²	35	83.3 Å²	83.3	16%	0.164	42%	0.416	C	S	.	.	H	α-helix	trans	-54.4	-54.6	176.2	179.3	-157	160	0	0	111.8	H77 L115 H116 K121 H122 G123 D124	H77-E119 IonicContact CE1-OE1 3.72Å; H77-E119 IonicContact CE1-OE2 3.31Å; H77-E119 PolarHBondContact CE1-OE2 3.39Å; H77-E119 VanDerWaalsContact CE1-OE2 3.31Å; H77-E119 WeakPolarHBondContact NE2-CB 2.99Å; H77-E119 VanDerWaalsContact NE2-CD 3.29Å; H77-E119 WeakPolarHBondContact NE2-CG 3.36Å; H77-E119 IonicContact NE2-OE2 3.26Å; H77-E119 PolarHBondContact NE2-OE2 2.69Å; L115-E119 WeakPolarHBondContact O-CB 3.5Å; L115-E119 PolarHBondContact O-N 3.2Å; H116-E119 IonicContact CE1-OE2 3.38Å; H116-E119 PolarHBondContact CE1-OE2 2.6Å; H116-E119 IonicContact CG-OE2 3.72Å; H116-E119 IonicContact ND1-OE2 2.65Å; H116-E119 PolarHBondContact ND1-OE2 2.78Å; H116-E119 PolarHBondContact O-N 2.04Å; E119-K121 PolarHBondContact O-N 3.37Å; E119-H122 CarbonylContact O-C 3.53Å; E119-H122 PolarHBondContact O-N 2.96Å; E119-G123 PolarHBondContact O-N 3.01Å; E119-D124 HydrophobicContact CG-CB 3.68Å; E119-D124 PolarHBondContact O-N 2.84Å
120	K	49.2	Very low	42.7	Very low	191 Å²	191	78.4 Å²	78.4	83%	0.83	40%	0.398	S	S	*	.	H	α-helix	trans	-61.4	-27.7	-179.8	-177	176.6	179.8	177.9	0	112.4	H116	H116-K120 WeakPolarHBondContact O-CB 3.35Å; H116-K120 PolarHBondContact O-N 2.95Å
121	K	43.2	Very low	41.7	Very low	161 Å²	161	80.8 Å²	80.8	70%	0.7	41%	0.408	S	S	*	.	H	α-helix	trans	-84.1	-29.8	174.8	-174.9	-176.8	178.2	-169.9	0	113	A117 Y118 E119	A117-K121 WeakPolarHBondContact O-CB 3.29Å; A117-K121 PolarHBondContact O-N 3.42Å; A117-K121 VanDerWaalsContact O-N 3.13Å; Y118-K121 CarbonylContact O-C 3.58Å; Y118-K121 PolarHBondContact O-N 2.88Å; E119-K121 PolarHBondContact O-N 3.37Å
122	H	39.5	Very low	41.1	Very low	103 Å²	103	83 Å²	83	48%	0.477	43%	0.432	S	S	.	.	H	α-helix	trans	-110.3	12.6	-174.4	-75.3	-88.6	0	0	0	114.9	Y118 E119	Y118-H122 AromaticContact CD1-CD2 3.89Å; Y118-H122 WeakPolarHBondContact O-CB 3.44Å; Y118-H122 PolarHBondContact O-CD2 3.4Å; Y118-H122 PolarHBondContact O-N 2.96Å; E119-H122 CarbonylContact O-C 3.53Å; E119-H122 PolarHBondContact O-N 2.96Å
123	G	31.5	Very low	40.2	Very low	52 Å²	52	83 Å²	83	54%	0.536	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	31	172.1	0	0	0	0	0	113.6	R76 E119	R76-G123 PolarHBondContact NH2-O 3.45Å; E119-G123 PolarHBondContact O-N 3.01Å
124	D	40.4	Very low	38.8	Very low	35 Å²	35	84.4 Å²	84.4	19%	0.187	45%	0.45	C	S	.	.			trans	58.4	-145.5	-179.5	-163	2.7	0	0	0	106.9	R76 H77 R80 E119	R76-D124 WeakPolarHBondContact CB-OD1 3.31Å; R76-D124 WeakPolarHBondContact CD-OD1 3.48Å; R76-D124 WeakPolarHBondContact CD-OD2 3.23Å; R76-D124 WeakPolarHBondContact CG-OD1 3.37Å; R76-D124 VanDerWaalsContact CZ-CB 3.41Å; R76-D124 IonicContact CZ-OD1 3.13Å; R76-D124 IonicContact CZ-OD2 3.58Å; R76-D124 IonicContact NE-OD1 2.74Å; R76-D124 PolarHBondContact NE-OD1 3.08Å; R76-D124 IonicContact NE-OD2 2.7Å; R76-D124 PolarHBondContact NE-OD2 3.4Å; R76-D124 IonicContact NH1-OD2 2.66Å; R76-D124 PolarHBondContact NH1-OD2 3.35Å; H77-D124 IonicContact CE1-OD1 3.23Å; H77-D124 PolarHBondContact CE1-OD1 3.17Å; H77-D124 VanDerWaalsContact CE1-OD1 3.23Å; H77-D124 IonicContact NE2-OD1 3.74Å; R80-D124 VanDerWaalsContact CZ-O 3.27Å; R80-D124 VanDerWaalsContact NH1-C 3.29Å; R80-D124 PolarHBondContact NH1-O 3.41Å; R80-D124 PolarHBondContact NH2-O 3.47Å; E119-D124 HydrophobicContact CG-CB 3.68Å; E119-D124 PolarHBondContact O-N 2.84Å
125	F	37.9	Very low	37.6	Very low	26 Å²	26	87.9 Å²	87.9	11%	0.114	48%	0.478	C	S	.	.			trans	-134.1	-95.5	177	-146.6	-159.2	0	0	0	113.6	Q73 C74 R76	Q73-F125 HydrophobicContact CB-CD2 3.32Å; Q73-F125 HydrophobicContact CB-CE2 3.7Å; Q73-F125 HydrophobicContact CB-CG 3.99Å; Q73-F125 HydrophobicContact CG-CD2 4.14Å; Q73-F125 HydrophobicContact CG-CE2 4.45Å; Q73-F125 PolarHBondContact N-O 2.76Å; Q73-F125 VanDerWaalsContact OE1-CD2 3.26Å; C74-F125 HydrophobicContact CB-CD1 3.74Å; C74-F125 HydrophobicContact CB-CE1 3.37Å; C74-F125 HydrophobicContact CB-CZ 3.91Å; C74-F125 CarbonylContact O-C 3.47Å; C74-F125 WeakPolarHBondContact O-CB 3.41Å; C74-F125 WeakPolarHBondContact O-CD1 3.07Å; C74-F125 WeakPolarHBondContact O-CG 3.37Å; R76-F125 HydrophobicContact CB-CB 3.7Å; R76-F125 HydrophobicContact CG-CB 3.86Å; R76-F125 PolarHBondContact NE-O 3.19Å; R76-F125 PolarHBondContact NH2-O 2.78Å
126	A	33.1	Very low	36.6	Very low	32 Å²	32	91 Å²	91	26%	0.264	50%	0.504	S	S	.	.	B	Isolated β-bridge	trans	166.5	-82.2	140.8	0	0	0	0	0	115.2	Q73 C74 R75	Q73-A126 CarbonylContact O-C 3.6Å; C74-A126 CarbonylContact O-C 3.02Å; C74-A126 PolarHBondContact O-N 2.66Å; R75-A126 WeakPolarHBondContact CG-O 3.47Å
127	Y	33.2	Very low	35.7	Very low	109 Å²	109	93.5 Å²	93.5	43%	0.427	52%	0.521	S	S	.	.	S	Bend	trans	-119.6	-41.7	-144.5	173.8	-116.3	0	0	0	115.1	Q73 L129 A130 E131	Q73-Y127 CarbonylContact O-C 3.4Å; Q73-Y127 WeakPolarHBondContact O-CA 3.09Å; Q73-Y127 PolarHBondContact O-N 2.75Å; Y127-L129 CarbonylContact O-C 3.46Å; Y127-L129 PolarHBondContact O-N 3.48Å; Y127-A130 HydrophobicContact CD2-CB 3.67Å; Y127-A130 HydrophobicContact CE2-CB 3.53Å; Y127-A130 HydrophobicContact CG-CB 4.39Å; Y127-A130 WeakPolarHBondContact O-CB 3.18Å; Y127-A130 PolarHBondContact O-N 2.94Å; Y127-E131 VanDerWaalsContact CE1-CD 3.46Å; Y127-E131 HydrophobicContact CE1-CG 3.76Å; Y127-E131 WeakPolarHBondContact CE1-OE1 3.1Å
128	C	34.2	Very low	34.7	Very low	43 Å²	43	97.2 Å²	97.2	29%	0.291	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	8.1	-165.5	120.6	0	0	0	0	118.7	Q73 C74	Q73-C128 PolarHBondContact O-N 3.45Å; C74-C128 VanDerWaalsContact CA-SG 3.52Å; C74-C128 HydrophobicContact CB-CB 3.84Å; C74-C128 WeakPolarHBondContact CB-SG 3.05Å; C74-C128 WeakPolarHBondContact SG-CB 3.17Å; C74-C128 PolarHBondContact SG-O 3.3Å; C74-C128 VanDerWaalsContact SG-O 3.39Å; C74-C128 CovalentContact SG-SG 2.04Å; C74-C128 PolarHBondContact SG-SG 3.36Å
129	L	31.8	Very low	34.1	Very low	78 Å²	78	95.6 Å²	95.6	41%	0.408	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.7	14	160.6	-154.2	80.3	0	0	0	111.9	R75 Y127	R75-L129 HydrophobicContact CB-CB 3.75Å; R75-L129 HydrophobicContact CB-CD2 4.14Å; R75-L129 HydrophobicContact CG-CB 3.53Å; R75-L129 HydrophobicContact CG-CD2 4.39Å; R75-L129 PolarHBondContact NH1-O 3.14Å; R75-L129 PolarHBondContact NH2-O 2.72Å; Y127-L129 CarbonylContact O-C 3.46Å; Y127-L129 PolarHBondContact O-N 3.48Å
130	A	28.3	Very low	33.4	Very low	28 Å²	28	99.2 Å²	99.2	23%	0.231	58%	0.583	C	S	.	*	S	Bend	trans	-101.7	-32.8	-179.2	0	0	0	0	0	113.2	R75 Y127 A132	R75-A130 VanDerWaalsContact NH2-CA 3.34Å; R75-A130 VanDerWaalsContact NH2-CB 3.34Å; Y127-A130 HydrophobicContact CD2-CB 3.67Å; Y127-A130 HydrophobicContact CE2-CB 3.53Å; Y127-A130 HydrophobicContact CG-CB 4.39Å; Y127-A130 WeakPolarHBondContact O-CB 3.18Å; Y127-A130 PolarHBondContact O-N 2.94Å; A130-A132 VanDerWaalsContact C-N 3.35Å
131	E	30.4	Very low	32.6	Very low	118 Å²	118	94.2 Å²	94.2	55%	0.551	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-83.1	-14.1	-175.5	-66.1	170.6	134.2	0	0	112.5	Y127 T133	Y127-E131 VanDerWaalsContact CE1-CD 3.46Å; Y127-E131 HydrophobicContact CE1-CG 3.76Å; Y127-E131 WeakPolarHBondContact CE1-OE1 3.1Å; E131-T133 VanDerWaalsContact C-N 3.27Å; E131-T133 PolarHBondContact O-N 2.97Å
132	A	32.1	Very low	32.6	Very low	85 Å²	85	89.1 Å²	89.1	70%	0.702	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-79.5	7.7	-174.4	0	0	0	0	0	115.5	A130	A130-A132 VanDerWaalsContact C-N 3.35Å
133	T	28.3	Very low	32.7	Very low	110 Å²	110	87.6 Å²	87.6	68%	0.675	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-131.1	-1.4	-169.3	51	0	0	0	0	116.8	E131	E131-T133 VanDerWaalsContact C-N 3.27Å; E131-T133 PolarHBondContact O-N 2.97Å
134	D	23.8	Very low	33.2	Very low	150 Å²	150	90.5 Å²	90.5	80%	0.802	58%	0.581	S	S	*	*			trans	-134.5	86.2	178.6	-97.5	-46.1	0	0	0	111.3
135	C	30	Very low	33.4	Very low	134 Å²	134	90.3 Å²	90.3	91%	0.905	58%	0.584	S	S	*	*			trans	-162	109.3	162	-114.3	0	0	0	0	110.9
136	S	29.2	Very low	33.6	Very low	113 Å²	113	89.4 Å²	89.4	79%	0.79	58%	0.58	S	S	*	*			trans	-126.4	149.7	171.3	-65.2	0	0	0	0	110.2
137	D	28.3	Very low	34.1	Very low	155 Å²	155	92 Å²	92	83%	0.829	59%	0.587	S	S	*	*			trans	54.8	95.4	163.3	-59.6	-24.5	0	0	0	119.1
138	S	33.7	Very low	34.6	Very low	136 Å²	136	91.5 Å²	91.5	95%	0.951	59%	0.591	S	S	*	*				-166.4	157.3	129.7	-86	0	0	0	0	112.9
139	S	34	Very low	35.1	Very low	113 Å²	113	92.4 Å²	92.4	79%	0.79	59%	0.588	S	S	*	*			trans	-103.3	136.4	-171	176	0	0	0	0	113.4
140	S	30.5	Very low	35.9	Very low	111 Å²	111	91.5 Å²	91.5	78%	0.776	58%	0.581	S	S	*	*				170.1	138	122.4	48.4	0	0	0	0	114.5
141	G	30.8	Very low	36.9	Very low	87 Å²	87	96 Å²	96	90%	0.897	60%	0.597	S	S	*	*			trans	87.1	36.6	136.9	0	0	0	0	0	122.1
142	G	43.4	Very low	37.7	Very low	54 Å²	54	97.7 Å²	97.7	56%	0.557	60%	0.599	S	S	*	*			trans	83	173.5	173.8	0	0	0	0	0	114.3
143	P	42.4	Very low	38.7	Very low	70 Å²	70	93.7 Å²	93.7	46%	0.455	57%	0.566	S	S	.	*			cis	-120.6	64.4	8.7	42.2	-27	0	0	0	112.5	K56 A145	K56-P143 PolarHBondContact NZ-O 3.26Å; K56-P143 VanDerWaalsContact NZ-O 3.12Å; P143-A145 VanDerWaalsContact C-N 3.32Å; P143-A145 PolarHBondContact O-N 3Å
144	L	41.9	Very low	39.8	Very low	114 Å²	114	91.2 Å²	91.2	60%	0.597	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-14.1	-156	-64.3	163.3	0	0	0	119.3	E146 L148	L144-E146 PolarHBondContact O-N 2.62Å; L144-L148 HydrophobicContact CB-CD1 4.45Å; L144-L148 WeakPolarHBondContact O-CG 3.42Å; L144-L148 PolarHBondContact O-N 2.87Å
145	A	43.5	Very low	41	Very low	30 Å²	30	90.8 Å²	90.8	25%	0.248	54%	0.541	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-23.6	-165.8	0	0	0	0	0	114.8	P143 R149	P143-A145 VanDerWaalsContact C-N 3.32Å; P143-A145 PolarHBondContact O-N 3Å; A145-R149 WeakPolarHBondContact O-CG 3.26Å; A145-R149 PolarHBondContact O-NE 2.97Å
146	E	42	Very low	41.8	Very low	8 Å²	8	85 Å²	85	4%	0.037	50%	0.504	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-30	-176.7	-76	60.7	-119	0	0	112.1	K56 L144 R149 F150 W209	K56-E146 HydrophobicContact CB-CB 4.48Å; K56-E146 HydrophobicContact CD-CB 3.79Å; K56-E146 HydrophobicContact CD-CG 4.01Å; K56-E146 VanDerWaalsContact CE-OE2 3.31Å; K56-E146 WeakPolarHBondContact CE-OE2 3.37Å; K56-E146 HydrophobicContact CG-CB 4.24Å; K56-E146 HydrophobicContact CG-CG 4.24Å; K56-E146 IonicContact NZ-OE2 2.62Å; K56-E146 PolarHBondContact NZ-OE2 2.73Å; L144-E146 PolarHBondContact O-N 2.62Å; E146-R149 CarbonylContact O-C 3.6Å; E146-R149 WeakPolarHBondContact O-CA 3.23Å; E146-R149 WeakPolarHBondContact O-CB 3.46Å; E146-R149 PolarHBondContact O-N 3.23Å; E146-R149 VanDerWaalsContact O-N 3.08Å; E146-R149 IonicContact OE1-CZ 3.93Å; E146-R149 VanDerWaalsContact OE1-CZ 3.31Å; E146-R149 IonicContact OE1-NE 3.48Å; E146-R149 IonicContact OE1-NH2 3.36Å; E146-R149 PolarHBondContact OE1-NH2 2.89Å; E146-F150 PolarHBondContact O-N 2.86Å; E146-W209 HydrophobicContact CB-CH2 3.95Å; E146-W209 HydrophobicContact CG-CH2 4.14Å; E146-W209 HydrophobicContact CG-CZ2 4.21Å
147	E	44.9	Very low	43	Very low	86 Å²	86	79.6 Å²	79.6	40%	0.402	47%	0.467	S	S	.	.	H	α-helix	trans	-64.5	-45.8	174.8	-72.6	148.1	-172.3	0	0	110	R149 F150 E151	E147-R149 PolarHBondContact O-N 3.2Å; E147-F150 WeakPolarHBondContact O-CB 3.37Å; E147-F150 PolarHBondContact O-N 2.78Å; E147-E151 PolarHBondContact O-N 3.11Å
148	L	44	Very low	44.3	Very low	99 Å²	99	75.5 Å²	75.5	52%	0.518	44%	0.44	S	S	.	.	H	α-helix	trans	-65.9	-13.7	171.5	-65.7	173.2	0	0	0	114	L144 R152	L144-L148 HydrophobicContact CB-CD1 4.45Å; L144-L148 WeakPolarHBondContact O-CG 3.42Å; L144-L148 PolarHBondContact O-N 2.87Å; L148-R152 WeakPolarHBondContact O-CD 3.24Å; L148-R152 VanDerWaalsContact O-CG 3.24Å; L148-R152 WeakPolarHBondContact O-CG 3.5Å
149	R	44.4	Very low	45	Very low	62 Å²	62	70.9 Å²	70.9	23%	0.234	40%	0.404	C	S	.	.	H	α-helix	trans	-86.7	-38.3	167.5	-72.5	-178.4	-121.4	-160.4	3.9	111.4	A145 E146 E147 R152 W209	A145-R149 WeakPolarHBondContact O-CG 3.26Å; A145-R149 PolarHBondContact O-NE 2.97Å; E146-R149 CarbonylContact O-C 3.6Å; E146-R149 WeakPolarHBondContact O-CA 3.23Å; E146-R149 WeakPolarHBondContact O-CB 3.46Å; E146-R149 PolarHBondContact O-N 3.23Å; E146-R149 VanDerWaalsContact O-N 3.08Å; E146-R149 IonicContact OE1-CZ 3.93Å; E146-R149 VanDerWaalsContact OE1-CZ 3.31Å; E146-R149 IonicContact OE1-NE 3.48Å; E146-R149 IonicContact OE1-NH2 3.36Å; E146-R149 PolarHBondContact OE1-NH2 2.89Å; E147-R149 PolarHBondContact O-N 3.2Å; R149-R152 PolarHBondContact O-N 3.46Å; R149-R152 VanDerWaalsContact O-N 3.15Å; R149-W209 HydrophobicContact CB-CD2 4.3Å; R149-W209 HydrophobicContact CB-CE3 3.65Å; R149-W209 HydrophobicContact CB-CH2 4.02Å; R149-W209 HydrophobicContact CB-CZ3 3.49Å; R149-W209 VanDerWaalsContact CB-CZ3 3.49Å
150	F	48.3	Very low	45.7	Very low	58 Å²	58	67 Å²	67	25%	0.254	38%	0.376	S	S	.	.	H	α-helix	trans	-62.9	-43.6	178.3	-170	-105.1	0	0	0	111.6	F54 E146 E147 R152 L153 R158 L162 W209	F54-F150 HydrophobicContact CD1-CD2 4.39Å; F54-F150 HydrophobicContact CE1-CD2 4.25Å; F54-F150 HydrophobicContact CE1-CE2 4.4Å; E146-F150 PolarHBondContact O-N 2.86Å; E147-F150 WeakPolarHBondContact O-CB 3.37Å; E147-F150 PolarHBondContact O-N 2.78Å; F150-R152 PolarHBondContact O-N 2.72Å; F150-L153 HydrophobicContact CD2-CD1 3.84Å; F150-L153 HydrophobicContact CE2-CD1 4.28Å; F150-L153 WeakPolarHBondContact O-CB 3.43Å; F150-L153 PolarHBondContact O-N 3.41Å; F150-L153 VanDerWaalsContact O-N 3.16Å; F150-R158 HydrophobicContact CD1-CG 4.37Å; F150-R158 HydrophobicContact CE1-CB 4.45Å; F150-R158 HydrophobicContact CE1-CG 3.94Å; F150-R158 HydrophobicContact CE2-CG 4.31Å; F150-R158 HydrophobicContact CZ-CB 4.25Å; F150-R158 HydrophobicContact CZ-CG 3.9Å; F150-R158 VanDerWaalsContact O-CD 3.22Å; F150-R158 WeakPolarHBondContact O-CD 3.25Å; F150-R158 PolarHBondContact O-NE 3.48Å; F150-L162 HydrophobicContact CE1-CD1 4.43Å; F150-L162 HydrophobicContact CZ-CD1 4.08Å; F150-L162 HydrophobicContact CZ-CD2 4.25Å; F150-L162 HydrophobicContact CZ-CG 4.2Å; F150-W209 HydrophobicContact CB-CZ3 4.29Å
151	E	48.5	Very low	46.8	Very low	123 Å²	123	62 Å²	62	58%	0.575	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.8	175	-68.1	-168.7	140.8	0	0	114	E147 L153 R158	E147-E151 PolarHBondContact O-N 3.11Å; E151-L153 VanDerWaalsContact C-N 3.34Å; E151-R158 PolarHBondContact O-NH2 3.49Å
152	R	48	Very low	47.7	Very low	154 Å²	154	61 Å²	61	58%	0.581	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-5.7	-179.1	-67.8	175.8	65.2	-169.4	-1.6	113.8	L148 R149 F150	L148-R152 WeakPolarHBondContact O-CD 3.24Å; L148-R152 VanDerWaalsContact O-CG 3.24Å; L148-R152 WeakPolarHBondContact O-CG 3.5Å; R149-R152 PolarHBondContact O-N 3.46Å; R149-R152 VanDerWaalsContact O-N 3.15Å; F150-R152 PolarHBondContact O-N 2.72Å
153	L	52.4	Low	47.8	Very low	1 Å²	1	62.2 Å²	62.2	1%	0.005	31%	0.313	C	S	.	.	S	Bend	trans	-72.4	137.9	161.4	-58.5	166	0	0	0	108	F54 F150 E151 E155 R158 L161 A205 Q208 W209	F54-L153 HydrophobicContact CE1-CD1 3.69Å; F54-L153 HydrophobicContact CZ-CD1 4.3Å; F150-L153 HydrophobicContact CD2-CD1 3.84Å; F150-L153 HydrophobicContact CE2-CD1 4.28Å; F150-L153 WeakPolarHBondContact O-CB 3.43Å; F150-L153 PolarHBondContact O-N 3.41Å; F150-L153 VanDerWaalsContact O-N 3.16Å; E151-L153 VanDerWaalsContact C-N 3.34Å; L153-E155 PolarHBondContact O-N 3.13Å; L153-R158 HydrophobicContact CB-CG 3.9Å; L153-R158 PolarHBondContact O-NE 3.36Å; L153-R158 PolarHBondContact O-NH2 3.43Å; L153-L161 HydrophobicContact CD1-CD1 3.86Å; L153-A205 WeakPolarHBondContact CD2-O 3.49Å; L153-Q208 HydrophobicContact CD2-CB 3.78Å; L153-W209 HydrophobicContact CD1-CE3 4.29Å; L153-W209 HydrophobicContact CD2-CB 4.32Å
154	D	52.6	Low	48	Very low	57 Å²	57	66.3 Å²	66.3	31%	0.305	33%	0.326	S	S	.	.			trans	-53.3	144.8	178.9	-60.8	-47.8	0	0	0	110.4	G156 L157 R158 R204 Q208	D154-G156 VanDerWaalsContact C-N 3.35Å; D154-G156 PolarHBondContact O-N 3.46Å; D154-L157 HydrophobicContact CB-CB 4.04Å; D154-L157 CarbonylContact O-C 3.6Å; D154-L157 VanDerWaalsContact O-CA 3.3Å; D154-L157 WeakPolarHBondContact O-CA 3.5Å; D154-L157 VanDerWaalsContact O-CB 3.23Å; D154-L157 WeakPolarHBondContact O-CB 3.37Å; D154-L157 PolarHBondContact O-N 3.36Å; D154-R158 PolarHBondContact O-N 2.81Å; D154-R204 IonicContact OD2-CZ 3.1Å; D154-R204 IonicContact OD2-NH1 2.68Å; D154-R204 PolarHBondContact OD2-NH1 2.87Å; D154-R204 IonicContact OD2-NH2 2.7Å; D154-R204 PolarHBondContact OD2-NH2 3.06Å; D154-Q208 PolarHBondContact OD2-NE2 2.87Å
155	E	47.5	Very low	48	Very low	141 Å²	141	67.6 Å²	67.6	66%	0.659	32%	0.323	S	S	*	.	H	α-helix	trans	-53.6	-49.6	-177.3	-172.3	177.7	-152.2	0	0	111.9	L153 L157 R158 D159	L153-E155 PolarHBondContact O-N 3.13Å; E155-L157 PolarHBondContact O-N 3.05Å; E155-R158 WeakPolarHBondContact O-CB 3.28Å; E155-R158 PolarHBondContact O-N 3.2Å; E155-R158 VanDerWaalsContact O-N 3.16Å; E155-D159 PolarHBondContact O-N 2.87Å
156	G	48.2	Very low	48.1	Very low	13 Å²	13	70.9 Å²	70.9	13%	0.134	34%	0.342	C	S	.	.	H	α-helix	trans	-67	-14.3	174	0	0	0	0	0	115	D154 V160	D154-G156 VanDerWaalsContact C-N 3.35Å; D154-G156 PolarHBondContact O-N 3.46Å; G156-V160 VanDerWaalsContact O-CG2 3.29Å; G156-V160 WeakPolarHBondContact O-CG2 3.39Å; G156-V160 PolarHBondContact O-N 3.28Å
157	L	53.2	Low	48.7	Very low	0 Å²	0	71.6 Å²	71.6	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-83.5	-44.8	171	-153.5	163.4	0	0	0	109.5	Y87 D154 E155 D159 V160 L161 L201 A205	Y87-L157 HydrophobicContact CE2-CB 3.96Å; Y87-L157 HydrophobicContact CE2-CD1 3.73Å; Y87-L157 HydrophobicContact CE2-CG 3.7Å; Y87-L157 VanDerWaalsContact OH-CD1 3.25Å; Y87-L157 WeakPolarHBondContact OH-CD1 3.29Å; D154-L157 HydrophobicContact CB-CB 4.04Å; D154-L157 CarbonylContact O-C 3.6Å; D154-L157 VanDerWaalsContact O-CA 3.3Å; D154-L157 WeakPolarHBondContact O-CA 3.5Å; D154-L157 VanDerWaalsContact O-CB 3.23Å; D154-L157 WeakPolarHBondContact O-CB 3.37Å; D154-L157 PolarHBondContact O-N 3.36Å; E155-L157 PolarHBondContact O-N 3.05Å; L157-D159 VanDerWaalsContact C-N 3.29Å; L157-D159 PolarHBondContact O-N 3.07Å; L157-V160 PolarHBondContact O-N 2.87Å; L157-V160 VanDerWaalsContact O-N 3.09Å; L157-L161 HydrophobicContact CD2-CD1 3.41Å; L157-L161 VanDerWaalsContact CD2-CD1 3.41Å; L157-L161 HydrophobicContact CD2-CD2 4.33Å; L157-L161 HydrophobicContact CD2-CG 3.74Å; L157-L161 VanDerWaalsContact O-CG 3.29Å; L157-L161 WeakPolarHBondContact O-CG 3.13Å; L157-L161 PolarHBondContact O-N 3.16Å; L157-L201 HydrophobicContact CG-CD1 4.35Å; L157-A205 HydrophobicContact CD1-CB 3.89Å; L157-A205 HydrophobicContact CD2-CB 3.38Å; L157-A205 HydrophobicContact CG-CB 4.23Å
158	R	56.3	Low	49.5	Very low	69 Å²	69	69.7 Å²	69.7	26%	0.26	34%	0.337	S	S	.	.	H	α-helix	trans	-55	-45.8	169.2	-72.1	-176	-100.3	155.6	-5.2	111	F150 E151 L153 D154 E155 V160 L161 L162	F150-R158 HydrophobicContact CD1-CG 4.37Å; F150-R158 HydrophobicContact CE1-CB 4.45Å; F150-R158 HydrophobicContact CE1-CG 3.94Å; F150-R158 HydrophobicContact CE2-CG 4.31Å; F150-R158 HydrophobicContact CZ-CB 4.25Å; F150-R158 HydrophobicContact CZ-CG 3.9Å; F150-R158 VanDerWaalsContact O-CD 3.22Å; F150-R158 WeakPolarHBondContact O-CD 3.25Å; F150-R158 PolarHBondContact O-NE 3.48Å; E151-R158 PolarHBondContact O-NH2 3.49Å; L153-R158 HydrophobicContact CB-CG 3.9Å; L153-R158 PolarHBondContact O-NE 3.36Å; L153-R158 PolarHBondContact O-NH2 3.43Å; D154-R158 PolarHBondContact O-N 2.81Å; E155-R158 WeakPolarHBondContact O-CB 3.28Å; E155-R158 PolarHBondContact O-N 3.2Å; E155-R158 VanDerWaalsContact O-N 3.16Å; R158-V160 VanDerWaalsContact C-N 3.31Å; R158-V160 PolarHBondContact O-N 3.32Å; R158-L161 PolarHBondContact O-N 3.33Å; R158-L162 VanDerWaalsContact O-CB 3.32Å; R158-L162 WeakPolarHBondContact O-CB 3.21Å; R158-L162 VanDerWaalsContact O-CG 3.24Å; R158-L162 WeakPolarHBondContact O-CG 3.49Å; R158-L162 PolarHBondContact O-N 2.84Å
159	D	48.7	Very low	50.6	Low	38 Å²	38	68.9 Å²	68.9	20%	0.203	34%	0.336	C	S	.	.	H	α-helix	trans	-56.7	-42.4	174.2	-77	-15.5	0	0	0	112.2	V83 E155 L157 L162 C163	V83-D159 HydrophobicContact CG2-CB 3.92Å; V83-D159 WeakPolarHBondContact CG2-OD2 3.23Å; E155-D159 PolarHBondContact O-N 2.87Å; L157-D159 VanDerWaalsContact C-N 3.29Å; L157-D159 PolarHBondContact O-N 3.07Å; D159-L162 PolarHBondContact O-N 2.65Å; D159-C163 WeakPolarHBondContact O-CA 3.29Å; D159-C163 WeakPolarHBondContact O-CB 3.44Å; D159-C163 PolarHBondContact O-N 3.23Å; D159-C163 PolarHBondContact O-SG 3.26Å
160	V	49.3	Very low	51.8	Low	33 Å²	33	68.6 Å²	68.6	20%	0.2	34%	0.336	C	S	.	.	H	α-helix	trans	-66.5	-43.8	176.7	165.3	0	0	0	0	111.8	V83 G156 L157 R158 L162 Q164 L201	V83-V160 HydrophobicContact CG1-CG2 3.81Å; G156-V160 VanDerWaalsContact O-CG2 3.29Å; G156-V160 WeakPolarHBondContact O-CG2 3.39Å; G156-V160 PolarHBondContact O-N 3.28Å; L157-V160 PolarHBondContact O-N 2.87Å; L157-V160 VanDerWaalsContact O-N 3.09Å; R158-V160 VanDerWaalsContact C-N 3.31Å; R158-V160 PolarHBondContact O-N 3.32Å; V160-L162 VanDerWaalsContact C-N 3.28Å; V160-L162 PolarHBondContact O-N 3.35Å; V160-Q164 PolarHBondContact O-N 3.26Å; V160-L201 HydrophobicContact CG1-CD1 4.13Å; V160-L201 HydrophobicContact CG1-CD2 4.15Å
161	L	52.2	Low	52.9	Low	4 Å²	4	66 Å²	66	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-64.9	-31	178	-65.9	165.5	0	0	0	112.8	F54 L153 L157 R158 W168 L171	F54-L161 HydrophobicContact CE1-CD1 3.96Å; F54-L161 HydrophobicContact CE2-CD1 4.45Å; F54-L161 HydrophobicContact CE2-CD2 3.89Å; F54-L161 HydrophobicContact CZ-CD1 3.49Å; F54-L161 VanDerWaalsContact CZ-CD1 3.49Å; F54-L161 HydrophobicContact CZ-CD2 3.7Å; F54-L161 HydrophobicContact CZ-CG 4.22Å; L153-L161 HydrophobicContact CD1-CD1 3.86Å; L157-L161 HydrophobicContact CD2-CD1 3.41Å; L157-L161 VanDerWaalsContact CD2-CD1 3.41Å; L157-L161 HydrophobicContact CD2-CD2 4.33Å; L157-L161 HydrophobicContact CD2-CG 3.74Å; L157-L161 VanDerWaalsContact O-CG 3.29Å; L157-L161 WeakPolarHBondContact O-CG 3.13Å; L157-L161 PolarHBondContact O-N 3.16Å; R158-L161 PolarHBondContact O-N 3.33Å; L161-W168 HydrophobicContact CD2-CH2 4.25Å; L161-W168 HydrophobicContact CD2-CZ3 3.73Å; L161-L171 HydrophobicContact CD2-CD1 3.88Å
162	L	50.7	Low	54.2	Low	68 Å²	68	65.1 Å²	65.1	36%	0.356	32%	0.321	S	S	.	.	H	α-helix	trans	-93	-29.6	-178.9	-67	170.9	0	0	0	113.2	M67 F150 R158 D159 V160	M67-L162 VanDerWaalsContact CG-O 3.27Å; M67-L162 WeakPolarHBondContact CG-O 3.3Å; M67-L162 VanDerWaalsContact SD-O 3.36Å; F150-L162 HydrophobicContact CE1-CD1 4.43Å; F150-L162 HydrophobicContact CZ-CD1 4.08Å; F150-L162 HydrophobicContact CZ-CD2 4.25Å; F150-L162 HydrophobicContact CZ-CG 4.2Å; R158-L162 VanDerWaalsContact O-CB 3.32Å; R158-L162 WeakPolarHBondContact O-CB 3.21Å; R158-L162 VanDerWaalsContact O-CG 3.24Å; R158-L162 WeakPolarHBondContact O-CG 3.49Å; R158-L162 PolarHBondContact O-N 2.84Å; D159-L162 PolarHBondContact O-N 2.65Å; V160-L162 VanDerWaalsContact C-N 3.28Å; V160-L162 PolarHBondContact O-N 3.35Å
163	C	44	Very low	55.8	Low	78 Å²	78	62.5 Å²	62.5	53%	0.527	32%	0.316	S	S	.	.	H	α-helix	trans	-92.3	-17.5	-177.3	-65.5	0	0	0	0	113.8	D159	D159-C163 WeakPolarHBondContact O-CA 3.29Å; D159-C163 WeakPolarHBondContact O-CB 3.44Å; D159-C163 PolarHBondContact O-N 3.23Å; D159-C163 PolarHBondContact O-SG 3.26Å
164	Q	48.4	Very low	57.1	Low	157 Å²	157	63.4 Å²	63.4	73%	0.734	32%	0.32	S	S	*	.			trans	-153.7	139.6	176.7	-142.2	174.3	27.8	0	0	115.7	V160	V160-Q164 PolarHBondContact O-N 3.26Å
165	W	40.1	Very low	58.5	Low	140 Å²	140	60.9 Å²	60.9	53%	0.53	31%	0.306	S	S	.	.			trans	-120.7	137.2	163	-153.6	51.7	0	0	0	108	W168	W165-W168 AromaticContact CD1-CD2 3.64Å; W165-W168 AromaticContact CD1-CE2 3.42Å; W165-W168 VanDerWaalsContact CD1-CE2 3.42Å; W165-W168 AromaticContact CD1-CH2 3.94Å; W165-W168 AromaticContact CD1-CZ2 3.58Å; W165-W168 AromaticContact CD1-NE1 3.86Å; W165-W168 AromaticContact CD2-NE1 3.96Å; W165-W168 AromaticContact CE2-CD1 3.23Å; W165-W168 AromaticContact CE2-CD2 3.81Å; W165-W168 AromaticContact CE2-CE2 3.8Å; W165-W168 AromaticContact CE2-CG 3.39Å; W165-W168 VanDerWaalsContact CE2-N 3.27Å; W165-W168 AromaticContact CE2-NE1 3.46Å; W165-W168 HydrophobicContact CG-CZ2 4.27Å; W165-W168 AromaticContact CH2-CD1 3.93Å; W165-W168 HydrophobicContact CZ2-CB 3.61Å; W165-W168 AromaticContact CZ2-CD1 3.14Å; W165-W168 HydrophobicContact CZ2-CD2 4.32Å; W165-W168 AromaticContact CZ2-CG 3.41Å; W165-W168 HydrophobicContact CZ2-CG 3.41Å; W165-W168 VanDerWaalsContact CZ2-CG 3.41Å; W165-W168 VanDerWaalsContact CZ2-N 3.26Å; W165-W168 AromaticContact CZ2-NE1 3.83Å; W165-W168 AromaticContact NE1-CD1 3.31Å; W165-W168 VanDerWaalsContact NE1-CD1 3.31Å; W165-W168 AromaticContact NE1-CD2 3.01Å; W165-W168 AromaticContact NE1-CE2 3.17Å; W165-W168 AromaticContact NE1-CE3 3.62Å; W165-W168 AromaticContact NE1-CG 3.04Å; W165-W168 AromaticContact NE1-CZ2 3.84Å; W165-W168 AromaticContact NE1-NE1 3.36Å
166	P	46.8	Very low	59.9	Low	100 Å²	100	59.2 Å²	59.2	65%	0.649	30%	0.302	S	S	*	.	S	Bend		-150.6	110.8	71.9	36	-14.1	0	0	0	116.8
167	S	54.4	Low	61.6	Low	23 Å²	23	63.6 Å²	63.6	16%	0.161	32%	0.318	C	S	.	.			trans	-177.7	79.9	130.6	64.2	0	0	0	0	112.5	V169 K170 L171 F198	S167-V169 PolarHBondContact O-N 3.38Å; S167-K170 PolarHBondContact O-N 2.77Å; S167-K170 VanDerWaalsContact O-N 3.14Å; S167-L171 PolarHBondContact O-N 3.43Å; S167-F198 WeakPolarHBondContact OG-CE1 3.3Å
168	W	61.7	Low	62.6	Low	46 Å²	46	63.8 Å²	63.8	17%	0.174	32%	0.319	C	S	.	.	H	α-helix	trans	-58.5	-32.4	165.6	-59.5	138.2	0	0	0	109	F54 L57 L161 W165 K170 L171 E172	F54-W168 HydrophobicContact CD2-CE3 4.42Å; F54-W168 HydrophobicContact CD2-CZ3 4.31Å; F54-W168 HydrophobicContact CE2-CE3 4.28Å; F54-W168 AromaticContact CE2-CZ3 3.93Å; F54-W168 HydrophobicContact CE2-CZ3 3.93Å; L57-W168 HydrophobicContact CD1-CH2 3.54Å; L57-W168 HydrophobicContact CD1-CZ2 3.47Å; L57-W168 VanDerWaalsContact CD1-CZ2 3.47Å; L57-W168 HydrophobicContact CD1-CZ3 4.36Å; L57-W168 HydrophobicContact CD2-CZ2 3.76Å; L57-W168 HydrophobicContact CG-CZ2 4.31Å; L161-W168 HydrophobicContact CD2-CH2 4.25Å; L161-W168 HydrophobicContact CD2-CZ3 3.73Å; W165-W168 AromaticContact CD1-CD2 3.64Å; W165-W168 AromaticContact CD1-CE2 3.42Å; W165-W168 VanDerWaalsContact CD1-CE2 3.42Å; W165-W168 AromaticContact CD1-CH2 3.94Å; W165-W168 AromaticContact CD1-CZ2 3.58Å; W165-W168 AromaticContact CD1-NE1 3.86Å; W165-W168 AromaticContact CD2-NE1 3.96Å; W165-W168 AromaticContact CE2-CD1 3.23Å; W165-W168 AromaticContact CE2-CD2 3.81Å; W165-W168 AromaticContact CE2-CE2 3.8Å; W165-W168 AromaticContact CE2-CG 3.39Å; W165-W168 VanDerWaalsContact CE2-N 3.27Å; W165-W168 AromaticContact CE2-NE1 3.46Å; W165-W168 HydrophobicContact CG-CZ2 4.27Å; W165-W168 AromaticContact CH2-CD1 3.93Å; W165-W168 HydrophobicContact CZ2-CB 3.61Å; W165-W168 AromaticContact CZ2-CD1 3.14Å; W165-W168 HydrophobicContact CZ2-CD2 4.32Å; W165-W168 AromaticContact CZ2-CG 3.41Å; W165-W168 HydrophobicContact CZ2-CG 3.41Å; W165-W168 VanDerWaalsContact CZ2-CG 3.41Å; W165-W168 VanDerWaalsContact CZ2-N 3.26Å; W165-W168 AromaticContact CZ2-NE1 3.83Å; W165-W168 AromaticContact NE1-CD1 3.31Å; W165-W168 VanDerWaalsContact NE1-CD1 3.31Å; W165-W168 AromaticContact NE1-CD2 3.01Å; W165-W168 AromaticContact NE1-CE2 3.17Å; W165-W168 AromaticContact NE1-CE3 3.62Å; W165-W168 AromaticContact NE1-CG 3.04Å; W165-W168 AromaticContact NE1-CZ2 3.84Å; W165-W168 AromaticContact NE1-NE1 3.36Å; W168-K170 VanDerWaalsContact C-N 3.28Å; W168-K170 PolarHBondContact O-N 3.31Å; W168-L171 HydrophobicContact CE3-CD1 4.2Å; W168-L171 HydrophobicContact CZ3-CD1 4.23Å; W168-L171 CarbonylContact O-C 3.47Å; W168-L171 WeakPolarHBondContact O-CA 3.41Å; W168-L171 WeakPolarHBondContact O-CB 3.44Å; W168-L171 PolarHBondContact O-N 2.85Å; W168-E172 VanDerWaalsContact O-CB 3.25Å; W168-E172 WeakPolarHBondContact O-CB 3.47Å; W168-E172 PolarHBondContact O-N 3.06Å
169	V	67	Low	63.6	Low	81 Å²	81	63.3 Å²	63.3	49%	0.491	32%	0.324	S	S	.	.	H	α-helix	trans	-47.7	-45.3	172.5	-178.4	0	0	0	0	112.9	S167 Q173	S167-V169 PolarHBondContact O-N 3.38Å; V169-Q173 WeakPolarHBondContact O-CB 3.29Å; V169-Q173 WeakPolarHBondContact O-CG 3.39Å; V169-Q173 PolarHBondContact O-N 3.13Å; V169-Q173 PolarHBondContact O-OE1 2.65Å
170	K	69.4	Low	64.8	Low	56 Å²	56	65.7 Å²	65.7	24%	0.243	34%	0.344	C	S	.	.	H	α-helix	trans	-72.4	-31.8	175.9	-71.6	-169.4	172.4	-172.3	0	112.3	S167 W168 F174 E196 D199	S167-K170 PolarHBondContact O-N 2.77Å; S167-K170 VanDerWaalsContact O-N 3.14Å; W168-K170 VanDerWaalsContact C-N 3.28Å; W168-K170 PolarHBondContact O-N 3.31Å; K170-F174 HydrophobicContact CB-CE2 4.45Å; K170-F174 WeakPolarHBondContact O-CB 2.94Å; K170-F174 WeakPolarHBondContact O-CD2 3.44Å; K170-F174 VanDerWaalsContact O-CG 3.3Å; K170-F174 WeakPolarHBondContact O-CG 3.4Å; K170-F174 PolarHBondContact O-N 3.24Å; K170-E196 IonicContact NZ-OE1 3.91Å; K170-E196 IonicContact NZ-OE2 2.77Å; K170-E196 PolarHBondContact NZ-OE2 3.37Å; K170-D199 VanDerWaalsContact CD-OD1 3.26Å; K170-D199 WeakPolarHBondContact CD-OD1 3Å; K170-D199 WeakPolarHBondContact CE-OD1 3.31Å; K170-D199 IonicContact NZ-OD1 2.65Å; K170-D199 PolarHBondContact NZ-OD1 3Å; K170-D199 IonicContact NZ-OD2 3.79Å
171	L	70.7	Confident	66.1	Low	4 Å²	4	66.8 Å²	66.8	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-75.2	-44.8	-177.8	-166.9	143.8	0	0	0	111.7	F54 L161 S167 W168 F174 E175 M202 A205 V206	F54-L171 HydrophobicContact CD2-CD2 3.85Å; F54-L171 HydrophobicContact CE2-CD1 3.61Å; F54-L171 HydrophobicContact CE2-CD2 3.45Å; F54-L171 VanDerWaalsContact CE2-CD2 3.45Å; F54-L171 HydrophobicContact CE2-CG 4.18Å; F54-L171 HydrophobicContact CZ-CD1 4.21Å; F54-L171 HydrophobicContact CZ-CD2 4.36Å; L161-L171 HydrophobicContact CD2-CD1 3.88Å; S167-L171 PolarHBondContact O-N 3.43Å; W168-L171 HydrophobicContact CE3-CD1 4.2Å; W168-L171 HydrophobicContact CZ3-CD1 4.23Å; W168-L171 CarbonylContact O-C 3.47Å; W168-L171 WeakPolarHBondContact O-CA 3.41Å; W168-L171 WeakPolarHBondContact O-CB 3.44Å; W168-L171 PolarHBondContact O-N 2.85Å; L171-F174 PolarHBondContact O-N 2.84Å; L171-E175 PolarHBondContact O-N 3.07Å; L171-M202 HydrophobicContact CB-SD 4.37Å; L171-M202 HydrophobicContact CD1-SD 3.86Å; L171-A205 HydrophobicContact CD1-CB 4.37Å; L171-V206 HydrophobicContact CD2-CG2 3.94Å; L171-V206 HydrophobicContact CG-CG2 3.62Å; L171-V206 VanDerWaalsContact O-CG2 3.28Å; L171-V206 WeakPolarHBondContact O-CG2 3.37Å
172	E	76.1	Confident	67.1	Low	104 Å²	104	68.8 Å²	68.8	49%	0.486	35%	0.353	S	S	.	.	H	α-helix	trans	-59.3	-48.5	169	-174	176.4	-145.5	0	0	110.5	A53 W168 F174 E175 D176	A53-E172 HydrophobicContact CB-CB 4.24Å; A53-E172 HydrophobicContact CB-CG 4.35Å; W168-E172 VanDerWaalsContact O-CB 3.25Å; W168-E172 WeakPolarHBondContact O-CB 3.47Å; W168-E172 PolarHBondContact O-N 3.06Å; E172-F174 PolarHBondContact O-N 2.82Å; E172-E175 PolarHBondContact O-N 3.48Å; E172-D176 PolarHBondContact O-N 3.21Å
173	Q	81.8	Confident	68.4	Low	100 Å²	100	71.2 Å²	71.2	47%	0.467	37%	0.37	S	S	.	.	H	α-helix	trans	-56.8	-47.5	172.9	-79.1	165.5	-3.6	0	0	113	V169 E175 E177	V169-Q173 WeakPolarHBondContact O-CB 3.29Å; V169-Q173 WeakPolarHBondContact O-CG 3.39Å; V169-Q173 PolarHBondContact O-N 3.13Å; V169-Q173 PolarHBondContact O-OE1 2.65Å; Q173-E175 PolarHBondContact O-N 3.11Å; Q173-E177 WeakPolarHBondContact O-CB 3.15Å; Q173-E177 WeakPolarHBondContact O-CG 3.31Å; Q173-E177 PolarHBondContact O-N 2.96Å
174	F	80.4	Confident	69.7	Low	20 Å²	20	71.2 Å²	71.2	9%	0.088	37%	0.372	C	S	.	.	H	α-helix	trans	-64.4	-30.5	176.3	-75	-43.6	0	0	0	112.3	K170 L171 E172 L178 L194 D199 M202 L203 V206	K170-F174 HydrophobicContact CB-CE2 4.45Å; K170-F174 WeakPolarHBondContact O-CB 2.94Å; K170-F174 WeakPolarHBondContact O-CD2 3.44Å; K170-F174 VanDerWaalsContact O-CG 3.3Å; K170-F174 WeakPolarHBondContact O-CG 3.4Å; K170-F174 PolarHBondContact O-N 3.24Å; L171-F174 PolarHBondContact O-N 2.84Å; E172-F174 PolarHBondContact O-N 2.82Å; F174-L178 VanDerWaalsContact O-CB 3.29Å; F174-L178 WeakPolarHBondContact O-CB 3.46Å; F174-L178 WeakPolarHBondContact O-CD1 3.1Å; F174-L178 WeakPolarHBondContact O-CG 3.47Å; F174-L178 PolarHBondContact O-N 3.2Å; F174-L178 VanDerWaalsContact O-N 3.12Å; F174-L194 HydrophobicContact CE1-CD1 4.28Å; F174-L194 HydrophobicContact CE1-CD2 3.93Å; F174-L194 HydrophobicContact CZ-CD1 4.01Å; F174-L194 HydrophobicContact CZ-CD2 3.87Å; F174-D199 HydrophobicContact CE2-CB 4.25Å; F174-D199 WeakPolarHBondContact CE2-O 3.21Å; F174-D199 HydrophobicContact CZ-CB 3.99Å; F174-M202 HydrophobicContact CD2-CB 3.93Å; F174-M202 HydrophobicContact CE2-CB 3.97Å; F174-L203 HydrophobicContact CB-CD1 4Å; F174-L203 HydrophobicContact CD1-CB 4.29Å; F174-L203 HydrophobicContact CD1-CD1 3.83Å; F174-L203 HydrophobicContact CD2-CB 3.94Å; F174-L203 HydrophobicContact CE1-CB 4.43Å; F174-L203 HydrophobicContact CE2-CB 4.08Å; F174-L203 HydrophobicContact CG-CB 4.07Å; F174-L203 HydrophobicContact CG-CD1 3.91Å; F174-L203 HydrophobicContact CZ-CB 4.34Å; F174-V206 HydrophobicContact CB-CB 4.4Å; F174-V206 HydrophobicContact CB-CG2 4Å
175	E	81.1	Confident	71	Confident	3 Å²	3	69.4 Å²	69.4	1%	0.014	36%	0.361	C	S	.	.	H	α-helix	trans	-74.8	-48.4	176.6	-159.3	-168.2	-122.7	0	0	112	S52 A53 L171 E172 Q173 E177 L178 V179 V206 W209 L210	S52-E175 VanDerWaalsContact CB-CD 3.44Å; S52-E175 WeakPolarHBondContact CB-OE1 3.45Å; S52-E175 WeakPolarHBondContact CB-OE2 3.16Å; S52-E175 PolarHBondContact OG-OE2 2.68Å; A53-E175 WeakPolarHBondContact CA-OE2 3.37Å; A53-E175 WeakPolarHBondContact CB-OE2 3.38Å; A53-E175 PolarHBondContact N-OE1 2.7Å; A53-E175 PolarHBondContact N-OE2 3.16Å; L171-E175 PolarHBondContact O-N 3.07Å; E172-E175 PolarHBondContact O-N 3.48Å; Q173-E175 PolarHBondContact O-N 3.11Å; E175-E177 VanDerWaalsContact C-N 3.31Å; E175-E177 PolarHBondContact O-N 2.83Å; E175-L178 PolarHBondContact O-N 2.79Å; E175-L178 VanDerWaalsContact O-N 3.15Å; E175-V179 HydrophobicContact CG-CG2 4.04Å; E175-V179 WeakPolarHBondContact O-CB 3.11Å; E175-V179 VanDerWaalsContact O-CG2 3.32Å; E175-V179 WeakPolarHBondContact O-CG2 3.33Å; E175-V179 PolarHBondContact O-N 3.38Å; E175-V206 VanDerWaalsContact CA-CG1 3.47Å; E175-V206 HydrophobicContact CB-CG1 3.61Å; E175-V206 HydrophobicContact CG-CG1 3.77Å; E175-W209 PolarHBondContact OE1-NE1 2.85Å; E175-L210 HydrophobicContact CG-CD1 3.82Å; E175-L210 HydrophobicContact CG-CD2 3.92Å; E175-L210 HydrophobicContact CG-CG 4.06Å
176	D	77.1	Confident	72.4	Confident	107 Å²	107	67.9 Å²	67.9	57%	0.572	37%	0.37	S	S	*	.	H	α-helix	trans	-54.5	-46.6	173.5	-89.4	-22	0	0	0	111.4	E172 L178 S180	E172-D176 PolarHBondContact O-N 3.21Å; D176-L178 PolarHBondContact O-N 3.17Å; D176-S180 WeakPolarHBondContact O-CB 3.31Å; D176-S180 PolarHBondContact O-N 2.76Å
177	E	83.7	Confident	73.5	Confident	104 Å²	104	75 Å²	75	49%	0.486	38%	0.383	S	S	.	.	H	α-helix	trans	-62.7	-40.9	177.7	-77.8	-172	-158.3	0	0	112.5	Q173 E175 Y181 W190	Q173-E177 WeakPolarHBondContact O-CB 3.15Å; Q173-E177 WeakPolarHBondContact O-CG 3.31Å; Q173-E177 PolarHBondContact O-N 2.96Å; E175-E177 VanDerWaalsContact C-N 3.31Å; E175-E177 PolarHBondContact O-N 2.83Å; E177-Y181 WeakPolarHBondContact O-CB 3.02Å; E177-Y181 PolarHBondContact O-N 3.29Å; E177-Y181 VanDerWaalsContact O-N 3.12Å; E177-W190 WeakPolarHBondContact OE2-CZ2 3.24Å
178	L	74.8	Confident	74.2	Confident	4 Å²	4	74.9 Å²	74.9	2%	0.021	39%	0.386	C	S	.	.	H	α-helix	trans	-73.5	-47.5	178.9	-73.6	171.6	0	0	0	111.8	F174 E175 D176 Y181 F182 W190 L203 V206 L210 L212	F174-L178 VanDerWaalsContact O-CB 3.29Å; F174-L178 WeakPolarHBondContact O-CB 3.46Å; F174-L178 WeakPolarHBondContact O-CD1 3.1Å; F174-L178 WeakPolarHBondContact O-CG 3.47Å; F174-L178 PolarHBondContact O-N 3.2Å; F174-L178 VanDerWaalsContact O-N 3.12Å; E175-L178 PolarHBondContact O-N 2.79Å; E175-L178 VanDerWaalsContact O-N 3.15Å; D176-L178 PolarHBondContact O-N 3.17Å; L178-Y181 PolarHBondContact O-N 3.46Å; L178-F182 HydrophobicContact CD2-CD2 4.37Å; L178-F182 HydrophobicContact CD2-CE2 3.92Å; L178-F182 WeakPolarHBondContact O-CB 3.45Å; L178-F182 VanDerWaalsContact O-CD2 3.24Å; L178-F182 WeakPolarHBondContact O-CD2 3.43Å; L178-F182 PolarHBondContact O-N 3.04Å; L178-W190 HydrophobicContact CD2-CB 4.14Å; L178-W190 HydrophobicContact CD2-CD2 3.75Å; L178-W190 HydrophobicContact CD2-CE3 4.09Å; L178-W190 HydrophobicContact CD2-CG 3.81Å; L178-L203 HydrophobicContact CD1-CD1 3.64Å; L178-L203 HydrophobicContact CG-CD1 4.24Å; L178-V206 HydrophobicContact CD1-CB 4.33Å; L178-V206 HydrophobicContact CD1-CG1 3.7Å; L178-L210 HydrophobicContact CB-CD1 3.7Å; L178-L210 HydrophobicContact CD1-CD1 4.25Å; L178-L212 HydrophobicContact CB-CD1 4.05Å; L178-L212 HydrophobicContact CD1-CD1 4.02Å; L178-L212 HydrophobicContact CD2-CD1 4.09Å; L178-L212 HydrophobicContact CG-CD1 4.29Å
179	V	76.7	Confident	75.2	Confident	60 Å²	60	77.7 Å²	77.7	36%	0.364	41%	0.408	S	S	.	.	H	α-helix	trans	-60.7	-51.6	178.2	171.5	0	0	0	0	110	E175 Y181 F182 V183 L210	E175-V179 HydrophobicContact CG-CG2 4.04Å; E175-V179 WeakPolarHBondContact O-CB 3.11Å; E175-V179 VanDerWaalsContact O-CG2 3.32Å; E175-V179 WeakPolarHBondContact O-CG2 3.33Å; E175-V179 PolarHBondContact O-N 3.38Å; V179-Y181 VanDerWaalsContact C-N 3.32Å; V179-Y181 PolarHBondContact O-N 3.09Å; V179-F182 PolarHBondContact O-N 3.1Å; V179-V183 HydrophobicContact CG1-CG2 4.18Å; V179-V183 WeakPolarHBondContact O-CB 3.28Å; V179-V183 VanDerWaalsContact O-CG2 3.23Å; V179-V183 WeakPolarHBondContact O-CG2 3.47Å; V179-V183 PolarHBondContact O-N 3.09Å; V179-L210 HydrophobicContact CG2-CD1 3.84Å; V179-L210 HydrophobicContact CG2-CD2 3.87Å
180	S	75.3	Confident	76	Confident	87 Å²	87	76.1 Å²	76.1	61%	0.608	39%	0.393	S	S	*	.	H	α-helix	trans	-56.9	-44.3	177.4	-176.8	0	0	0	0	112	D176 S184	D176-S180 WeakPolarHBondContact O-CB 3.31Å; D176-S180 PolarHBondContact O-N 2.76Å; S180-S184 PolarHBondContact O-N 3.37Å
181	Y	75	Confident	76.8	Confident	57 Å²	57	81.8 Å²	81.8	22%	0.224	42%	0.418	C	S	.	.	H	α-helix	trans	-63.1	-52.2	175.8	-179.2	-86	0	0	0	112.4	E177 L178 V179 S184 K185 V189 W190	E177-Y181 WeakPolarHBondContact O-CB 3.02Å; E177-Y181 PolarHBondContact O-N 3.29Å; E177-Y181 VanDerWaalsContact O-N 3.12Å; L178-Y181 PolarHBondContact O-N 3.46Å; V179-Y181 VanDerWaalsContact C-N 3.32Å; V179-Y181 PolarHBondContact O-N 3.09Å; Y181-S184 PolarHBondContact O-N 3.36Å; Y181-S184 VanDerWaalsContact O-N 3.13Å; Y181-S184 PolarHBondContact O-OG 3.42Å; Y181-K185 HydrophobicContact CE1-CB 4.26Å; Y181-K185 HydrophobicContact CE2-CD 4.41Å; Y181-K185 PolarHBondContact O-N 3.49Å; Y181-V189 VanDerWaalsContact OH-C 3.24Å; Y181-V189 PolarHBondContact OH-N 3.28Å; Y181-V189 VanDerWaalsContact OH-N 3.07Å; Y181-V189 PolarHBondContact OH-O 3.22Å; Y181-W190 HydrophobicContact CD1-CB 3.88Å; Y181-W190 HydrophobicContact CD1-CG 4.46Å; Y181-W190 AromaticContact CD2-CD1 3.75Å; Y181-W190 HydrophobicContact CE1-CB 3.93Å; Y181-W190 HydrophobicContact CG-CB 4.2Å; Y181-W190 AromaticContact CG-CD1 3.62Å; Y181-W190 HydrophobicContact CG-CG 4.32Å
182	F	74	Confident	77.5	Confident	46 Å²	46	84.1 Å²	84.1	20%	0.202	44%	0.438	C	S	.	.	H	α-helix	trans	-74.6	-26	-173.2	-79.3	-71	0	0	0	113.4	L178 V179 S184 K185 P186 G188 W190 L212	L178-F182 HydrophobicContact CD2-CD2 4.37Å; L178-F182 HydrophobicContact CD2-CE2 3.92Å; L178-F182 WeakPolarHBondContact O-CB 3.45Å; L178-F182 VanDerWaalsContact O-CD2 3.24Å; L178-F182 WeakPolarHBondContact O-CD2 3.43Å; L178-F182 PolarHBondContact O-N 3.04Å; V179-F182 PolarHBondContact O-N 3.1Å; F182-S184 VanDerWaalsContact C-N 3.34Å; F182-K185 WeakPolarHBondContact CD1-O 3.5Å; F182-K185 CarbonylContact O-C 3.56Å; F182-K185 VanDerWaalsContact O-C 3.23Å; F182-K185 PolarHBondContact O-N 2.81Å; F182-P186 VanDerWaalsContact O-CA 3.23Å; F182-P186 WeakPolarHBondContact O-CA 3.28Å; F182-P186 WeakPolarHBondContact O-CD 3.22Å; F182-G188 WeakPolarHBondContact CE1-O 3.46Å; F182-W190 HydrophobicContact CE2-CB 4.06Å; F182-W190 HydrophobicContact CZ-CB 4.24Å; F182-L212 HydrophobicContact CD1-CD2 4.39Å; F182-L212 HydrophobicContact CD2-CD1 3.74Å; F182-L212 HydrophobicContact CD2-CD2 3.8Å; F182-L212 HydrophobicContact CD2-CG 4.46Å; F182-L212 HydrophobicContact CE1-CD2 4.38Å; F182-L212 HydrophobicContact CE2-CD1 3.71Å; F182-L212 HydrophobicContact CE2-CD2 3.83Å; F182-L212 HydrophobicContact CE2-CG 4.37Å; F182-L212 HydrophobicContact CG-CD2 4.12Å; F182-L212 HydrophobicContact CZ-CD2 4.12Å
183	V	77.6	Confident	77.8	Confident	118 Å²	118	85.9 Å²	85.9	72%	0.715	46%	0.455	S	S	*	.	H	α-helix	trans	-60.4	-44.3	165.1	167.1	0	0	0	0	110.5	V179	V179-V183 HydrophobicContact CG1-CG2 4.18Å; V179-V183 WeakPolarHBondContact O-CB 3.28Å; V179-V183 VanDerWaalsContact O-CG2 3.23Å; V179-V183 WeakPolarHBondContact O-CG2 3.47Å; V179-V183 PolarHBondContact O-N 3.09Å
184	S	71.7	Confident	77.7	Confident	79 Å²	79	82.9 Å²	82.9	55%	0.552	44%	0.442	S	S	*	.	H	α-helix	trans	-71.1	-31.9	176.6	82.7	0	0	0	0	113.5	S180 Y181 F182	S180-S184 PolarHBondContact O-N 3.37Å; Y181-S184 PolarHBondContact O-N 3.36Å; Y181-S184 VanDerWaalsContact O-N 3.13Å; Y181-S184 PolarHBondContact O-OG 3.42Å; F182-S184 VanDerWaalsContact C-N 3.34Å
185	K	74.9	Confident	77.2	Confident	118 Å²	118	90.9 Å²	90.9	51%	0.513	48%	0.477	S	S	.	.			trans	-145.1	77.3	-170	-71.2	171.8	-174	163.8	0	111	Y181 F182 R187 G188	Y181-K185 HydrophobicContact CE1-CB 4.26Å; Y181-K185 HydrophobicContact CE2-CD 4.41Å; Y181-K185 PolarHBondContact O-N 3.49Å; F182-K185 WeakPolarHBondContact CD1-O 3.5Å; F182-K185 CarbonylContact O-C 3.56Å; F182-K185 VanDerWaalsContact O-C 3.23Å; F182-K185 PolarHBondContact O-N 2.81Å; K185-R187 PolarHBondContact O-N 3.45Å; K185-G188 PolarHBondContact O-N 3.3Å
186	P	70	Confident	76.4	Confident	109 Å²	109	95.6 Å²	95.6	71%	0.708	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-5.3	-175.8	26.1	-35.9	0	0	0	114.8	F182	F182-P186 VanDerWaalsContact O-CA 3.23Å; F182-P186 WeakPolarHBondContact O-CA 3.28Å; F182-P186 WeakPolarHBondContact O-CD 3.22Å
187	R	70.6	Confident	75.8	Confident	248 Å²	248	94.7 Å²	94.7	94%	0.936	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.8	20	169.5	-66.5	-176.1	173.6	-179.7	-2.4	112.6	K185	K185-R187 PolarHBondContact O-N 3.45Å
188	G	69.4	Low	75	Confident	22 Å²	22	93.2 Å²	93.2	23%	0.227	49%	0.493	C	S	.	.			trans	-72.8	176	174.7	0	0	0	0	0	112.5	F182 K185	F182-G188 WeakPolarHBondContact CE1-O 3.46Å; K185-G188 PolarHBondContact O-N 3.3Å
189	V	82.2	Confident	74.7	Confident	104 Å²	104	94 Å²	94	63%	0.63	50%	0.497	S	S	*	.			trans	-130	100.2	169.6	-179.7	0	0	0	0	106.8	Y181 K191	Y181-V189 VanDerWaalsContact OH-C 3.24Å; Y181-V189 PolarHBondContact OH-N 3.28Å; Y181-V189 VanDerWaalsContact OH-N 3.07Å; Y181-V189 PolarHBondContact OH-O 3.22Å; V189-K191 HydrophobicContact CG1-CG 4.24Å
190	W	83.8	Confident	74.6	Confident	48 Å²	48	93.5 Å²	93.5	18%	0.182	49%	0.489	C	S	.	.			trans	-66.7	145.3	172	-172.4	101.3	0	0	0	109.8	E177 L178 Y181 F182 A192 L203	E177-W190 WeakPolarHBondContact OE2-CZ2 3.24Å; L178-W190 HydrophobicContact CD2-CB 4.14Å; L178-W190 HydrophobicContact CD2-CD2 3.75Å; L178-W190 HydrophobicContact CD2-CE3 4.09Å; L178-W190 HydrophobicContact CD2-CG 3.81Å; Y181-W190 HydrophobicContact CD1-CB 3.88Å; Y181-W190 HydrophobicContact CD1-CG 4.46Å; Y181-W190 AromaticContact CD2-CD1 3.75Å; Y181-W190 HydrophobicContact CE1-CB 3.93Å; Y181-W190 HydrophobicContact CG-CB 4.2Å; Y181-W190 AromaticContact CG-CD1 3.62Å; Y181-W190 HydrophobicContact CG-CG 4.32Å; F182-W190 HydrophobicContact CE2-CB 4.06Å; F182-W190 HydrophobicContact CZ-CB 4.24Å; W190-A192 HydrophobicContact CE3-CB 4.42Å; W190-A192 HydrophobicContact CH2-CB 3.29Å; W190-A192 HydrophobicContact CZ2-CB 4.03Å; W190-A192 HydrophobicContact CZ3-CB 3.49Å; W190-A192 VanDerWaalsContact CZ3-CB 3.49Å; W190-L203 HydrophobicContact CH2-CD1 3.93Å; W190-L203 HydrophobicContact CH2-CD2 3.81Å; W190-L203 HydrophobicContact CZ3-CD1 4.01Å; W190-L203 HydrophobicContact CZ3-CD2 3.47Å; W190-L203 VanDerWaalsContact CZ3-CD2 3.47Å; W190-L203 HydrophobicContact CZ3-CG 4.4Å
191	K	87	Confident	74.3	Confident	176 Å²	176	90.5 Å²	90.5	77%	0.765	47%	0.466	S	S	*	.			trans	-148.9	131.9	-177	-62.2	-177.2	-177.3	-178.8	0	110.2	V189	V189-K191 HydrophobicContact CG1-CG 4.24Å
192	A	84.9	Confident	74.2	Confident	52 Å²	52	88.2 Å²	88.2	43%	0.43	46%	0.457	S	S	.	.			trans	-134.9	159.7	169.5	0	0	0	0	0	111.1	W190 L194	W190-A192 HydrophobicContact CE3-CB 4.42Å; W190-A192 HydrophobicContact CH2-CB 3.29Å; W190-A192 HydrophobicContact CZ2-CB 4.03Å; W190-A192 HydrophobicContact CZ3-CB 3.49Å; W190-A192 VanDerWaalsContact CZ3-CB 3.49Å; A192-L194 HydrophobicContact CB-CD2 4.25Å; A192-L194 HydrophobicContact CB-CG 4.29Å
193	V	82.8	Confident	74.2	Confident	142 Å²	142	86.4 Å²	86.4	86%	0.861	45%	0.45	S	S	*	.			trans	-109.3	83.4	175.3	-177.3	0	0	0	0	108.3
194	L	78.4	Confident	74.1	Confident	36 Å²	36	81.3 Å²	81.3	19%	0.188	42%	0.418	C	S	.	.			trans	-83.2	120.8	-178.2	-61.7	-179.6	0	0	0	110.6	F174 A192 D199 R200 L203	F174-L194 HydrophobicContact CE1-CD1 4.28Å; F174-L194 HydrophobicContact CE1-CD2 3.93Å; F174-L194 HydrophobicContact CZ-CD1 4.01Å; F174-L194 HydrophobicContact CZ-CD2 3.87Å; A192-L194 HydrophobicContact CB-CD2 4.25Å; A192-L194 HydrophobicContact CB-CG 4.29Å; L194-D199 HydrophobicContact CB-CB 4.1Å; L194-D199 HydrophobicContact CD1-CB 3.95Å; L194-D199 HydrophobicContact CD2-CB 4.13Å; L194-D199 HydrophobicContact CG-CB 4.28Å; L194-R200 HydrophobicContact CB-CG 3.63Å; L194-R200 HydrophobicContact CD1-CG 3.95Å; L194-R200 HydrophobicContact CG-CG 4.44Å; L194-R200 PolarHBondContact O-NH1 3.21Å; L194-L203 HydrophobicContact CD1-CB 3.95Å; L194-L203 HydrophobicContact CD1-CD2 3.47Å; L194-L203 VanDerWaalsContact CD1-CD2 3.47Å; L194-L203 HydrophobicContact CD1-CG 4.35Å
195	K	70.7	Confident	74.1	Confident	188 Å²	188	77.6 Å²	77.6	82%	0.817	39%	0.391	S	S	*	.			trans	-80.7	-40.2	-179	-65.4	179.1	-177.9	174.9	0	112.5	R200	K195-R200 PolarHBondContact O-NH1 3.36Å
196	E	64.5	Low	73.9	Confident	102 Å²	102	72 Å²	72	48%	0.477	37%	0.368	S	S	.	.	S	Bend	trans	-80.6	142.7	-176.3	-62.4	172.1	-158.7	0	0	111.3	K170 F198 D199 R200	K170-E196 IonicContact NZ-OE1 3.91Å; K170-E196 IonicContact NZ-OE2 2.77Å; K170-E196 PolarHBondContact NZ-OE2 3.37Å; E196-F198 VanDerWaalsContact C-N 3.29Å; E196-D199 HydrophobicContact CB-CB 4.22Å; E196-R200 VanDerWaalsContact C-CZ 3.5Å; E196-R200 PolarHBondContact O-N 3.33Å; E196-R200 PolarHBondContact O-NE 2.97Å; E196-R200 PolarHBondContact O-NH1 3.44Å
197	S	64.2	Low	74.1	Confident	88 Å²	88	67.1 Å²	67.1	62%	0.615	34%	0.336	S	S	*	.	H	α-helix	trans	-64.2	-37.9	171.7	45.7	0	0	0	0	111.5	R200 L201	S197-R200 VanDerWaalsContact CA-NH2 3.28Å; S197-R200 PolarHBondContact O-N 2.96Å; S197-L201 PolarHBondContact O-N 3.12Å
198	F	65.8	Low	74	Confident	74 Å²	74	57.3 Å²	57.3	33%	0.325	30%	0.3	S	S	.	.	H	α-helix	trans	-61.5	-43.8	177.6	-172.3	-93.2	0	0	0	112.7	S167 E196 R200 L201 M202	S167-F198 WeakPolarHBondContact OG-CE1 3.3Å; E196-F198 VanDerWaalsContact C-N 3.29Å; F198-R200 VanDerWaalsContact C-N 3.3Å; F198-R200 PolarHBondContact O-N 2.79Å; F198-L201 HydrophobicContact CD2-CD2 3.92Å; F198-L201 HydrophobicContact CE2-CD2 4.25Å; F198-L201 CarbonylContact O-C 3.59Å; F198-L201 WeakPolarHBondContact O-CA 3.2Å; F198-L201 VanDerWaalsContact O-CB 3.31Å; F198-L201 WeakPolarHBondContact O-CB 3.14Å; F198-L201 PolarHBondContact O-N 2.75Å; F198-L201 VanDerWaalsContact O-N 3.1Å; F198-M202 HydrophobicContact CD1-CG 3.83Å; F198-M202 HydrophobicContact CE1-CE 4.42Å; F198-M202 HydrophobicContact CE1-CG 3.36Å; F198-M202 HydrophobicContact CE1-SD 3.85Å; F198-M202 HydrophobicContact CE2-CE 4.1Å; F198-M202 HydrophobicContact CZ-CE 3.84Å; F198-M202 HydrophobicContact CZ-CG 3.78Å; F198-M202 HydrophobicContact CZ-SD 3.69Å; F198-M202 WeakPolarHBondContact O-CG 3.4Å; F198-M202 PolarHBondContact O-N 2.77Å
199	D	70.2	Confident	74	Confident	19 Å²	19	56.7 Å²	56.7	10%	0.102	29%	0.291	C	S	.	.	H	α-helix	trans	-59	-42	176.3	-69.5	-11.8	0	0	0	112.2	K170 F174 L194 E196 L201 M202 L203	K170-D199 VanDerWaalsContact CD-OD1 3.26Å; K170-D199 WeakPolarHBondContact CD-OD1 3Å; K170-D199 WeakPolarHBondContact CE-OD1 3.31Å; K170-D199 IonicContact NZ-OD1 2.65Å; K170-D199 PolarHBondContact NZ-OD1 3Å; K170-D199 IonicContact NZ-OD2 3.79Å; F174-D199 HydrophobicContact CE2-CB 4.25Å; F174-D199 WeakPolarHBondContact CE2-O 3.21Å; F174-D199 HydrophobicContact CZ-CB 3.99Å; L194-D199 HydrophobicContact CB-CB 4.1Å; L194-D199 HydrophobicContact CD1-CB 3.95Å; L194-D199 HydrophobicContact CD2-CB 4.13Å; L194-D199 HydrophobicContact CG-CB 4.28Å; E196-D199 HydrophobicContact CB-CB 4.22Å; D199-L201 VanDerWaalsContact C-N 3.3Å; D199-L201 PolarHBondContact O-N 2.84Å; D199-M202 PolarHBondContact O-N 3.09Å; D199-L203 VanDerWaalsContact O-CB 3.29Å; D199-L203 WeakPolarHBondContact O-CB 3.38Å; D199-L203 PolarHBondContact O-N 2.9Å
200	R	73	Confident	73.2	Confident	51 Å²	51	53.7 Å²	53.7	19%	0.192	27%	0.272	C	S	.	.	H	α-helix	trans	-68.6	-31.8	178.5	-64.7	177.2	-63.2	-117	10.2	111.6	I94 L194 K195 E196 S197 F198 R204 Y214	I94-R200 VanDerWaalsContact CD1-NH2 3.26Å; L194-R200 HydrophobicContact CB-CG 3.63Å; L194-R200 HydrophobicContact CD1-CG 3.95Å; L194-R200 HydrophobicContact CG-CG 4.44Å; L194-R200 PolarHBondContact O-NH1 3.21Å; K195-R200 PolarHBondContact O-NH1 3.36Å; E196-R200 VanDerWaalsContact C-CZ 3.5Å; E196-R200 PolarHBondContact O-N 3.33Å; E196-R200 PolarHBondContact O-NE 2.97Å; E196-R200 PolarHBondContact O-NH1 3.44Å; S197-R200 VanDerWaalsContact CA-NH2 3.28Å; S197-R200 PolarHBondContact O-N 2.96Å; F198-R200 VanDerWaalsContact C-N 3.3Å; F198-R200 PolarHBondContact O-N 2.79Å; R200-R204 WeakPolarHBondContact O-CB 3.44Å; R200-R204 PolarHBondContact O-N 3.25Å; R200-R204 VanDerWaalsContact O-N 3.13Å; R200-Y214 PolarHBondContact O-OH 3.26Å
201	L	69.6	Low	72.5	Confident	24 Å²	24	56.2 Å²	56.2	13%	0.126	29%	0.288	C	S	.	.	H	α-helix	trans	-66.2	-50	170.9	146.3	66.9	0	0	0	111.3	Y87 L157 V160 S197 F198 D199 R204 A205	Y87-L201 HydrophobicContact CD1-CB 4.43Å; Y87-L201 HydrophobicContact CD1-CD1 4.46Å; Y87-L201 HydrophobicContact CD2-CD1 4.21Å; Y87-L201 HydrophobicContact CE1-CB 3.68Å; Y87-L201 HydrophobicContact CE1-CD1 3.83Å; Y87-L201 HydrophobicContact CE1-CG 4.32Å; Y87-L201 HydrophobicContact CE2-CD1 3.57Å; Y87-L201 PolarHBondContact OH-O 2.83Å; L157-L201 HydrophobicContact CG-CD1 4.35Å; V160-L201 HydrophobicContact CG1-CD1 4.13Å; V160-L201 HydrophobicContact CG1-CD2 4.15Å; S197-L201 PolarHBondContact O-N 3.12Å; F198-L201 HydrophobicContact CD2-CD2 3.92Å; F198-L201 HydrophobicContact CE2-CD2 4.25Å; F198-L201 CarbonylContact O-C 3.59Å; F198-L201 WeakPolarHBondContact O-CA 3.2Å; F198-L201 VanDerWaalsContact O-CB 3.31Å; F198-L201 WeakPolarHBondContact O-CB 3.14Å; F198-L201 PolarHBondContact O-N 2.75Å; F198-L201 VanDerWaalsContact O-N 3.1Å; D199-L201 VanDerWaalsContact C-N 3.3Å; D199-L201 PolarHBondContact O-N 2.84Å; L201-R204 PolarHBondContact O-N 3.46Å; L201-A205 PolarHBondContact O-N 3.13Å
202	M	73	Confident	71.4	Confident	8 Å²	8	49.9 Å²	49.9	4%	0.039	26%	0.262	C	S	.	.	H	α-helix	trans	-63.8	-49	177.8	-65.6	-69.5	99.2	0	0	112.3	L171 F174 F198 D199 R204 A205 V206	L171-M202 HydrophobicContact CB-SD 4.37Å; L171-M202 HydrophobicContact CD1-SD 3.86Å; F174-M202 HydrophobicContact CD2-CB 3.93Å; F174-M202 HydrophobicContact CE2-CB 3.97Å; F198-M202 HydrophobicContact CD1-CG 3.83Å; F198-M202 HydrophobicContact CE1-CE 4.42Å; F198-M202 HydrophobicContact CE1-CG 3.36Å; F198-M202 HydrophobicContact CE1-SD 3.85Å; F198-M202 HydrophobicContact CE2-CE 4.1Å; F198-M202 HydrophobicContact CZ-CE 3.84Å; F198-M202 HydrophobicContact CZ-CG 3.78Å; F198-M202 HydrophobicContact CZ-SD 3.69Å; F198-M202 WeakPolarHBondContact O-CG 3.4Å; F198-M202 PolarHBondContact O-N 2.77Å; D199-M202 PolarHBondContact O-N 3.09Å; M202-R204 PolarHBondContact O-N 2.79Å; M202-A205 WeakPolarHBondContact O-CB 3.38Å; M202-A205 PolarHBondContact O-N 3Å; M202-A205 VanDerWaalsContact O-N 3.07Å; M202-V206 WeakPolarHBondContact O-CG2 3.44Å; M202-V206 PolarHBondContact O-N 3.47Å
203	L	74.7	Confident	70.6	Confident	8 Å²	8	59.6 Å²	59.6	4%	0.042	29%	0.288	C	S	.	.	H	α-helix	trans	-59.9	-35.8	177.5	177.4	65.9	0	0	0	112	F174 L178 W190 L194 D199 S207 Y214	F174-L203 HydrophobicContact CB-CD1 4Å; F174-L203 HydrophobicContact CD1-CB 4.29Å; F174-L203 HydrophobicContact CD1-CD1 3.83Å; F174-L203 HydrophobicContact CD2-CB 3.94Å; F174-L203 HydrophobicContact CE1-CB 4.43Å; F174-L203 HydrophobicContact CE2-CB 4.08Å; F174-L203 HydrophobicContact CG-CB 4.07Å; F174-L203 HydrophobicContact CG-CD1 3.91Å; F174-L203 HydrophobicContact CZ-CB 4.34Å; L178-L203 HydrophobicContact CD1-CD1 3.64Å; L178-L203 HydrophobicContact CG-CD1 4.24Å; W190-L203 HydrophobicContact CH2-CD1 3.93Å; W190-L203 HydrophobicContact CH2-CD2 3.81Å; W190-L203 HydrophobicContact CZ3-CD1 4.01Å; W190-L203 HydrophobicContact CZ3-CD2 3.47Å; W190-L203 VanDerWaalsContact CZ3-CD2 3.47Å; W190-L203 HydrophobicContact CZ3-CG 4.4Å; L194-L203 HydrophobicContact CD1-CB 3.95Å; L194-L203 HydrophobicContact CD1-CD2 3.47Å; L194-L203 VanDerWaalsContact CD1-CD2 3.47Å; L194-L203 HydrophobicContact CD1-CG 4.35Å; D199-L203 VanDerWaalsContact O-CB 3.29Å; D199-L203 WeakPolarHBondContact O-CB 3.38Å; D199-L203 PolarHBondContact O-N 2.9Å; L203-S207 VanDerWaalsContact O-CB 3.28Å; L203-S207 WeakPolarHBondContact O-CB 3.38Å; L203-S207 PolarHBondContact O-N 3.38Å; L203-S207 PolarHBondContact O-OG 3.11Å; L203-Y214 HydrophobicContact CB-CE2 4.4Å; L203-Y214 HydrophobicContact CD2-CD2 4.43Å; L203-Y214 HydrophobicContact CD2-CE2 3.71Å; L203-Y214 HydrophobicContact CG-CD2 4.28Å; L203-Y214 HydrophobicContact CG-CE2 3.84Å
204	R	73.9	Confident	70.2	Confident	12 Å²	12	55.4 Å²	55.4	5%	0.045	26%	0.257	C	S	.	.	H	α-helix	trans	-67.8	-37.6	175.5	-179.6	170.2	179.2	-71.4	-6.2	112	Y87 A90 S91 D154 R200 L201 M202 S207 Q208 Y214	Y87-R204 WeakPolarHBondContact OH-CB 3.47Å; Y87-R204 VanDerWaalsContact OH-CD 3.31Å; Y87-R204 WeakPolarHBondContact OH-CD 3.36Å; Y87-R204 WeakPolarHBondContact OH-CG 3.31Å; Y87-R204 PolarHBondContact OH-NH1 3.44Å; A90-R204 PolarHBondContact O-NH2 2.83Å; S91-R204 PolarHBondContact OG-NE 2.83Å; D154-R204 IonicContact OD2-CZ 3.1Å; D154-R204 IonicContact OD2-NH1 2.68Å; D154-R204 PolarHBondContact OD2-NH1 2.87Å; D154-R204 IonicContact OD2-NH2 2.7Å; D154-R204 PolarHBondContact OD2-NH2 3.06Å; R200-R204 WeakPolarHBondContact O-CB 3.44Å; R200-R204 PolarHBondContact O-N 3.25Å; R200-R204 VanDerWaalsContact O-N 3.13Å; L201-R204 PolarHBondContact O-N 3.46Å; M202-R204 PolarHBondContact O-N 2.79Å; R204-S207 PolarHBondContact O-N 3.41Å; R204-Q208 WeakPolarHBondContact O-CB 3.35Å; R204-Q208 WeakPolarHBondContact O-CG 3.42Å; R204-Q208 PolarHBondContact O-N 3.21Å; R204-Y214 HydrophobicContact CB-CD1 3.82Å; R204-Y214 HydrophobicContact CB-CD2 4.42Å; R204-Y214 HydrophobicContact CB-CE1 3.76Å; R204-Y214 HydrophobicContact CB-CE2 4.38Å; R204-Y214 HydrophobicContact CB-CG 4.16Å; R204-Y214 HydrophobicContact CG-CD1 3.67Å; R204-Y214 HydrophobicContact CG-CE1 3.95Å; R204-Y214 HydrophobicContact CG-CG 4.21Å
205	A	71.6	Confident	69.8	Low	0 Å²	0	60 Å²	60	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58.4	-53.8	171.9	0	0	0	0	0	111.5	L153 L157 L171 L201 M202 S207 Q208 W209	L153-A205 WeakPolarHBondContact CD2-O 3.49Å; L157-A205 HydrophobicContact CD1-CB 3.89Å; L157-A205 HydrophobicContact CD2-CB 3.38Å; L157-A205 HydrophobicContact CG-CB 4.23Å; L171-A205 HydrophobicContact CD1-CB 4.37Å; L201-A205 PolarHBondContact O-N 3.13Å; M202-A205 WeakPolarHBondContact O-CB 3.38Å; M202-A205 PolarHBondContact O-N 3Å; M202-A205 VanDerWaalsContact O-N 3.07Å; A205-S207 VanDerWaalsContact C-N 3.34Å; A205-S207 PolarHBondContact O-N 3.32Å; A205-Q208 PolarHBondContact O-N 3.34Å; A205-W209 WeakPolarHBondContact O-CB 3.37Å; A205-W209 PolarHBondContact O-N 3.18Å
206	V	71.3	Confident	69.7	Low	2 Å²	2	51.4 Å²	51.4	1%	0.012	25%	0.245	C	C	.	.	H	α-helix	trans	-61	-43.1	178.6	179.4	0	0	0	0	111.5	L171 F174 E175 L178 M202 Q208 W209 L210	L171-V206 HydrophobicContact CD2-CG2 3.94Å; L171-V206 HydrophobicContact CG-CG2 3.62Å; L171-V206 VanDerWaalsContact O-CG2 3.28Å; L171-V206 WeakPolarHBondContact O-CG2 3.37Å; F174-V206 HydrophobicContact CB-CB 4.4Å; F174-V206 HydrophobicContact CB-CG2 4Å; E175-V206 VanDerWaalsContact CA-CG1 3.47Å; E175-V206 HydrophobicContact CB-CG1 3.61Å; E175-V206 HydrophobicContact CG-CG1 3.77Å; L178-V206 HydrophobicContact CD1-CB 4.33Å; L178-V206 HydrophobicContact CD1-CG1 3.7Å; M202-V206 WeakPolarHBondContact O-CG2 3.44Å; M202-V206 PolarHBondContact O-N 3.47Å; V206-Q208 VanDerWaalsContact C-N 3.31Å; V206-Q208 PolarHBondContact O-N 3.4Å; V206-W209 PolarHBondContact O-N 3.37Å; V206-L210 HydrophobicContact CG1-CD1 3.86Å; V206-L210 HydrophobicContact CG1-CG 4.19Å; V206-L210 WeakPolarHBondContact O-CB 3.5Å; V206-L210 WeakPolarHBondContact O-CG 3.29Å; V206-L210 PolarHBondContact O-N 3.21Å
207	S	74.3	Confident	69.7	Low	6 Å²	6	51.1 Å²	51.1	4%	0.042	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-41.1	177.8	-61	0	0	0	0	111.5	L203 R204 A205 L211 L212	L203-S207 VanDerWaalsContact O-CB 3.28Å; L203-S207 WeakPolarHBondContact O-CB 3.38Å; L203-S207 PolarHBondContact O-N 3.38Å; L203-S207 PolarHBondContact O-OG 3.11Å; R204-S207 PolarHBondContact O-N 3.41Å; A205-S207 VanDerWaalsContact C-N 3.34Å; A205-S207 PolarHBondContact O-N 3.32Å; S207-L211 PolarHBondContact O-N 3.45Å; S207-L212 WeakPolarHBondContact O-CA 3.21Å; S207-L212 PolarHBondContact O-N 2.9Å
208	Q	69.6	Low	69.3	Low	41 Å²	41	48 Å²	48	19%	0.192	22%	0.223	C	C	.	.	H	α-helix	trans	-64.9	-44.8	174.1	-76	178.6	-12.7	0	0	111.8	L153 D154 R204 A205 V206 L210 L211	L153-Q208 HydrophobicContact CD2-CB 3.78Å; D154-Q208 PolarHBondContact OD2-NE2 2.87Å; R204-Q208 WeakPolarHBondContact O-CB 3.35Å; R204-Q208 WeakPolarHBondContact O-CG 3.42Å; R204-Q208 PolarHBondContact O-N 3.21Å; A205-Q208 PolarHBondContact O-N 3.34Å; V206-Q208 VanDerWaalsContact C-N 3.31Å; V206-Q208 PolarHBondContact O-N 3.4Å; Q208-L210 PolarHBondContact O-N 3.1Å; Q208-L211 PolarHBondContact O-N 2.81Å; Q208-L211 VanDerWaalsContact O-N 3.11Å
209	W	68.8	Low	68.7	Low	10 Å²	10	50.6 Å²	50.6	4%	0.038	25%	0.245	C	C	.	.	H	α-helix	trans	-59.3	-44.8	177.5	179.4	-103.5	0	0	0	113	F54 E146 R149 F150 L153 E175 A205 V206 L211	F54-W209 HydrophobicContact CD1-CE3 4.24Å; F54-W209 HydrophobicContact CD1-CH2 4.38Å; F54-W209 HydrophobicContact CD1-CZ3 4.12Å; F54-W209 HydrophobicContact CE1-CE3 4.24Å; F54-W209 HydrophobicContact CE1-CZ3 4.47Å; E146-W209 HydrophobicContact CB-CH2 3.95Å; E146-W209 HydrophobicContact CG-CH2 4.14Å; E146-W209 HydrophobicContact CG-CZ2 4.21Å; R149-W209 HydrophobicContact CB-CD2 4.3Å; R149-W209 HydrophobicContact CB-CE3 3.65Å; R149-W209 HydrophobicContact CB-CH2 4.02Å; R149-W209 HydrophobicContact CB-CZ3 3.49Å; R149-W209 VanDerWaalsContact CB-CZ3 3.49Å; F150-W209 HydrophobicContact CB-CZ3 4.29Å; L153-W209 HydrophobicContact CD1-CE3 4.29Å; L153-W209 HydrophobicContact CD2-CB 4.32Å; E175-W209 PolarHBondContact OE1-NE1 2.85Å; A205-W209 WeakPolarHBondContact O-CB 3.37Å; A205-W209 PolarHBondContact O-N 3.18Å; V206-W209 PolarHBondContact O-N 3.37Å; W209-L211 PolarHBondContact O-N 3.47Å
210	L	65.7	Low	67.5	Low	41 Å²	41	53.7 Å²	53.7	22%	0.215	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	5	176.2	-63.6	-178.2	0	0	0	114.1	E175 L178 V179 V206 Q208 L212	E175-L210 HydrophobicContact CG-CD1 3.82Å; E175-L210 HydrophobicContact CG-CD2 3.92Å; E175-L210 HydrophobicContact CG-CG 4.06Å; L178-L210 HydrophobicContact CB-CD1 3.7Å; L178-L210 HydrophobicContact CD1-CD1 4.25Å; V179-L210 HydrophobicContact CG2-CD1 3.84Å; V179-L210 HydrophobicContact CG2-CD2 3.87Å; V206-L210 HydrophobicContact CG1-CD1 3.86Å; V206-L210 HydrophobicContact CG1-CG 4.19Å; V206-L210 WeakPolarHBondContact O-CB 3.5Å; V206-L210 WeakPolarHBondContact O-CG 3.29Å; V206-L210 PolarHBondContact O-N 3.21Å; Q208-L210 PolarHBondContact O-N 3.1Å; L210-L212 HydrophobicContact CB-CD1 3.79Å; L210-L212 HydrophobicContact CB-CG 3.83Å; L210-L212 HydrophobicContact CD1-CD1 3.87Å; L210-L212 PolarHBondContact O-N 3.42Å
211	L	68.3	Low	65.8	Low	100 Å²	100	61.3 Å²	61.3	52%	0.524	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	23.8	-178.1	-44.8	-172.5	0	0	0	114.8	S207 Q208 W209	S207-L211 PolarHBondContact O-N 3.45Å; Q208-L211 PolarHBondContact O-N 2.81Å; Q208-L211 VanDerWaalsContact O-N 3.11Å; W209-L211 PolarHBondContact O-N 3.47Å
212	L	64	Low	64	Low	44 Å²	44	65.7 Å²	65.7	23%	0.23	32%	0.322	C	S	.	.			trans	-84.6	147.7	-179.4	-60.8	172	0	0	0	112	L178 F182 S207 L210 Y214	L178-L212 HydrophobicContact CB-CD1 4.05Å; L178-L212 HydrophobicContact CD1-CD1 4.02Å; L178-L212 HydrophobicContact CD2-CD1 4.09Å; L178-L212 HydrophobicContact CG-CD1 4.29Å; F182-L212 HydrophobicContact CD1-CD2 4.39Å; F182-L212 HydrophobicContact CD2-CD1 3.74Å; F182-L212 HydrophobicContact CD2-CD2 3.8Å; F182-L212 HydrophobicContact CD2-CG 4.46Å; F182-L212 HydrophobicContact CE1-CD2 4.38Å; F182-L212 HydrophobicContact CE2-CD1 3.71Å; F182-L212 HydrophobicContact CE2-CD2 3.83Å; F182-L212 HydrophobicContact CE2-CG 4.37Å; F182-L212 HydrophobicContact CG-CD2 4.12Å; F182-L212 HydrophobicContact CZ-CD2 4.12Å; S207-L212 WeakPolarHBondContact O-CA 3.21Å; S207-L212 PolarHBondContact O-N 2.9Å; L210-L212 HydrophobicContact CB-CD1 3.79Å; L210-L212 HydrophobicContact CB-CG 3.83Å; L210-L212 HydrophobicContact CD1-CD1 3.87Å; L210-L212 PolarHBondContact O-N 3.42Å; L212-Y214 PolarHBondContact O-N 2.99Å; L212-Y214 VanDerWaalsContact O-N 3.11Å
213	R	69.2	Low	61.9	Low	256 Å²	256	72.3 Å²	72.3	97%	0.966	35%	0.353	S	S	*	.			trans	-80.2	92.8	174.9	-71.5	-172.4	175.7	-164.4	-2.1	111.1
214	Y	72.5	Confident	59.7	Low	54 Å²	54	76.3 Å²	76.3	21%	0.212	38%	0.381	C	S	.	.			trans	-69.2	145.4	170.9	-173.9	-106.6	0	0	0	112.5	R200 L203 R204 L212	R200-Y214 PolarHBondContact O-OH 3.26Å; L203-Y214 HydrophobicContact CB-CE2 4.4Å; L203-Y214 HydrophobicContact CD2-CD2 4.43Å; L203-Y214 HydrophobicContact CD2-CE2 3.71Å; L203-Y214 HydrophobicContact CG-CD2 4.28Å; L203-Y214 HydrophobicContact CG-CE2 3.84Å; R204-Y214 HydrophobicContact CB-CD1 3.82Å; R204-Y214 HydrophobicContact CB-CD2 4.42Å; R204-Y214 HydrophobicContact CB-CE1 3.76Å; R204-Y214 HydrophobicContact CB-CE2 4.38Å; R204-Y214 HydrophobicContact CB-CG 4.16Å; R204-Y214 HydrophobicContact CG-CD1 3.67Å; R204-Y214 HydrophobicContact CG-CE1 3.95Å; R204-Y214 HydrophobicContact CG-CG 4.21Å; L212-Y214 PolarHBondContact O-N 2.99Å; L212-Y214 VanDerWaalsContact O-N 3.11Å
215	L	70.5	Confident	57.6	Low	131 Å²	131	80.4 Å²	80.4	69%	0.686	42%	0.418	S	S	*	.			trans	-147	112.4	168.8	179.7	62.9	0	0	0	110.1	I217	L215-I217 HydrophobicContact CD2-CD1 4.16Å; L215-I217 HydrophobicContact CD2-CG1 4.36Å; L215-I217 HydrophobicContact CG-CG1 4.17Å
216	S	69.3	Low	55.8	Low	9 Å²	9	91 Å²	91	6%	0.063	48%	0.482	C	S	.	.			trans	-76.1	137	168.7	-178.8	0	0	0	0	110	R93	R93-S216 PolarHBondContact O-OG 3.1Å
217	I	65.1	Low	55.1	Low	96 Å²	96	95.5 Å²	95.5	49%	0.492	51%	0.505	S	S	.	.			trans	-128.8	103.7	170.9	-67.3	-175.6	0	0	0	108.4	L215 V219	L215-I217 HydrophobicContact CD2-CD1 4.16Å; L215-I217 HydrophobicContact CD2-CG1 4.36Å; L215-I217 HydrophobicContact CG-CG1 4.17Å; I217-V219 HydrophobicContact CG2-CG2 4.02Å; I217-V219 PolarHBondContact O-N 2.83Å
218	C	54.8	Low	54.1	Low	21 Å²	21	100.2 Å²	100.2	14%	0.142	53%	0.53	C	S	.	.			trans	-65.1	128.4	156.7	-112.3	0	0	0	0	108.8	R93 D220	R93-C218 HydrophobicContact CG-CB 4.17Å; R93-C218 PolarHBondContact NE-O 2.86Å; R93-C218 PolarHBondContact NH2-O 2.93Å; C218-D220 WeakPolarHBondContact CB-OD1 3.01Å; C218-D220 WeakPolarHBondContact CB-OD2 3.23Å; C218-D220 PolarHBondContact SG-OD1 3.45Å
219	V	53.8	Low	53.2	Low	130 Å²	130	103.4 Å²	103.4	79%	0.788	55%	0.548	S	S	*	.			trans	-109	76.6	160.2	-176.1	0	0	0	0	105.3	I217	I217-V219 HydrophobicContact CG2-CG2 4.02Å; I217-V219 PolarHBondContact O-N 2.83Å
220	D	45.3	Very low	52.3	Low	84 Å²	84	108.9 Å²	108.9	45%	0.449	58%	0.579	S	S	.	*			trans	-63.1	143	173.8	-49	-58.3	0	0	0	108.1	V95 C218 C222	V95-D220 VanDerWaalsContact CG2-OD1 3.31Å; V95-D220 WeakPolarHBondContact CG2-OD1 3.29Å; C218-D220 WeakPolarHBondContact CB-OD1 3.01Å; C218-D220 WeakPolarHBondContact CB-OD2 3.23Å; C218-D220 PolarHBondContact SG-OD1 3.45Å; D220-C222 PolarHBondContact O-N 2.9Å
221	R	36.5	Very low	51.4	Low	210 Å²	210	113.2 Å²	113.2	79%	0.792	60%	0.601	S	S	*	*			trans	-71.7	101.3	-171.6	-66	-159.9	-167.3	-175.4	5.4	110.6	E223	R221-E223 HydrophobicContact CB-CG 4.29Å; R221-E223 WeakPolarHBondContact CD-OE1 3.28Å; R221-E223 IonicContact CZ-OE1 3.59Å; R221-E223 IonicContact NE-OE1 3.72Å; R221-E223 IonicContact NH1-OE1 2.68Å; R221-E223 PolarHBondContact NH1-OE1 2.93Å; R221-E223 PolarHBondContact O-N 2.68Å
222	C	30.9	Very low	50.3	Low	117 Å²	117	114.1 Å²	114.1	79%	0.791	61%	0.606	S	S	*	*			trans	-67.7	68.8	151.1	-64.1	0	0	0	0	109.7	D220 S224	D220-C222 PolarHBondContact O-N 2.9Å; C222-S224 PolarHBondContact O-N 2.84Å
223	E	29.7	Very low	49.3	Very low	147 Å²	147	119.1 Å²	119.1	69%	0.687	63%	0.633	S	S	*	*			trans	-73.4	68.9	156.5	-82.2	175.4	-155.9	0	0	107.8	R221	R221-E223 HydrophobicContact CB-CG 4.29Å; R221-E223 WeakPolarHBondContact CD-OE1 3.28Å; R221-E223 IonicContact CZ-OE1 3.59Å; R221-E223 IonicContact NE-OE1 3.72Å; R221-E223 IonicContact NH1-OE1 2.68Å; R221-E223 PolarHBondContact NH1-OE1 2.93Å; R221-E223 PolarHBondContact O-N 2.68Å
224	S	29.6	Very low	47.8	Very low	92 Å²	92	108.5 Å²	108.5	64%	0.643	61%	0.608	S	S	*	*			trans	-88.8	117.5	-179.3	-60.1	0	0	0	0	110.4	C222	C222-S224 PolarHBondContact O-N 2.84Å
225	A	29.4	Very low	45.7	Very low	98 Å²	98	113.1 Å²	113.1	81%	0.81	64%	0.641	S	S	*	*			trans	57.7	106	160.3	0	0	0	0	0	118.1
226	V	34	Very low	43.5	Very low	222 Å²	222	111.5 Å²	111.5	100%	1.345	64%	0.637	S	S	*	*			trans	-121	0	135.7	-179.7	0	0	0	0	107

Retrieved 226 of 226 residues in 349.4 ms (Link to these results)

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