A0A5K4FDC1_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FDC1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 548 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	30.4	Very low	26.6	Very low	233 Å²	233	154.2 Å²	154.2	100%	1.148	79%	0.794	S	S	*	*				0	152.4	0	-80.9	-58.1	-171.2	0	0	108.7
2	N	25	Very low	26.6	Very low	151 Å²	151	153.7 Å²	153.7	81%	0.807	79%	0.794	S	S	*	*			trans	-69.4	169.4	-176.9	-44.4	-25.3	0	0	0	109.9
3	T	28.2	Very low	26.6	Very low	131 Å²	131	150.1 Å²	150.1	80%	0.804	78%	0.783	S	S	*	*			cis	-148.2	171.9	27.3	41.3	0	0	0	0	112.8
4	I	25.4	Very low	26.7	Very low	147 Å²	147	148.4 Å²	148.4	75%	0.754	78%	0.776	S	S	*	*			trans	-116.1	138.1	162.8	-64	166.4	0	0	0	107.9	V6	I4-V6 HydrophobicContact CG2-CG2 4.02Å
5	P	25.7	Very low	26.9	Very low	115 Å²	115	147.8 Å²	147.8	75%	0.747	77%	0.767	S	S	*	*			trans	-94.3	131.9	155.1	33.7	-27	0	0	0	110.5
6	V	25.2	Very low	27	Very low	101 Å²	101	145.4 Å²	145.4	61%	0.612	76%	0.762	S	S	*	*			trans	-104.3	139.9	175.3	175.8	0	0	0	0	108.9	I4 F8	I4-V6 HydrophobicContact CG2-CG2 4.02Å; V6-F8 HydrophobicContact CG1-CD2 3.8Å; V6-F8 HydrophobicContact CG1-CE2 4.23Å
7	Y	29	Very low	27.3	Very low	230 Å²	230	142.3 Å²	142.3	90%	0.902	75%	0.75	S	S	*	*			trans	-121.1	122	159.7	-90.2	-87.4	0	0	0	110
8	F	24.8	Very low	27.7	Very low	161 Å²	161	142.3 Å²	142.3	71%	0.706	74%	0.742	S	S	*	*			trans	-99.4	133.9	165.2	-99.2	-96	0	0	0	108	V6	V6-F8 HydrophobicContact CG1-CD2 3.8Å; V6-F8 HydrophobicContact CG1-CE2 4.23Å
9	N	25.6	Very low	28	Very low	134 Å²	134	140.3 Å²	140.3	72%	0.717	73%	0.733	S	S	*	*				168.5	118.6	123.9	-85.6	-15	0	0	0	110.2
10	D	27.5	Very low	28.1	Very low	166 Å²	166	138 Å²	138	89%	0.888	72%	0.718	S	S	*	*				-174.2	100.2	125.8	-96	-16.4	0	0	0	108.1
11	I	26	Very low	28.3	Very low	127 Å²	127	137.7 Å²	137.7	65%	0.651	71%	0.713	S	S	*	*			trans	-103.3	98.4	-173.7	-53.9	177.5	0	0	0	108.8	T13	I11-T13 HydrophobicContact CG2-CG2 3.73Å; I11-T13 PolarHBondContact O-N 3.22Å
12	N	26.1	Very low	28.3	Very low	148 Å²	148	133.6 Å²	133.6	79%	0.791	69%	0.689	S	S	*	*			trans	-90	97	173.1	-152.6	-26.2	0	0	0	110.3	N14	N12-N14 PolarHBondContact O-N 3.17Å
13	T	26.4	Very low	28.7	Very low	107 Å²	107	131.7 Å²	131.7	66%	0.656	68%	0.678	S	S	*	*			trans	-77.3	80.2	-168	53.7	0	0	0	0	113.4	I11	I11-T13 HydrophobicContact CG2-CG2 3.73Å; I11-T13 PolarHBondContact O-N 3.22Å
14	N	27.9	Very low	28.7	Very low	127 Å²	127	132 Å²	132	68%	0.679	66%	0.664	S	S	*	*			trans	-144.2	-3.4	176.7	-99.3	-51.2	0	0	0	117.8	N12	N12-N14 PolarHBondContact O-N 3.17Å
15	E	30.4	Very low	29	Very low	139 Å²	139	128 Å²	128	65%	0.65	65%	0.652	S	S	*	*	S	Bend	trans	-102.4	-11.9	-177.6	-66.2	-132.4	101.2	0	0	115.6	V17 K18	E15-V17 VanDerWaalsContact C-N 3.34Å; E15-V17 PolarHBondContact O-N 2.87Å; E15-K18 IonicContact OE1-NZ 3.39Å; E15-K18 PolarHBondContact OE1-NZ 2.85Å
16	T	29.1	Very low	29.2	Very low	110 Å²	110	128.9 Å²	128.9	68%	0.675	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-34.5	-176.7	45.4	0	0	0	0	113.7	K18 N19	T16-K18 VanDerWaalsContact C-N 3.3Å; T16-K18 PolarHBondContact O-N 2.78Å; T16-N19 PolarHBondContact O-N 3.36Å
17	V	31.9	Very low	29.3	Very low	92 Å²	92	130.1 Å²	130.1	56%	0.558	64%	0.644	S	S	*	*	H	α-helix	trans	-64.5	-29.6	-175	-176.1	0	0	0	0	113	E15 N19	E15-V17 VanDerWaalsContact C-N 3.34Å; E15-V17 PolarHBondContact O-N 2.87Å; V17-N19 VanDerWaalsContact C-N 3.28Å; V17-N19 PolarHBondContact O-N 2.97Å
18	K	33.7	Very low	29.4	Very low	142 Å²	142	122.6 Å²	122.6	62%	0.617	62%	0.624	S	S	*	*	H	α-helix	trans	-70	-23.9	-178	-65.8	173.8	-169.8	161.2	0	113	E15 T16	E15-K18 IonicContact OE1-NZ 3.39Å; E15-K18 PolarHBondContact OE1-NZ 2.85Å; T16-K18 VanDerWaalsContact C-N 3.3Å; T16-K18 PolarHBondContact O-N 2.78Å
19	N	33	Very low	29.6	Very low	105 Å²	105	120.2 Å²	120.2	56%	0.561	61%	0.613	S	S	*	*	H	α-helix	trans	-88.7	-31.9	-176.9	-71.6	-40.4	0	0	0	113.6	T16 V17 H21 F22 I23	T16-N19 PolarHBondContact O-N 3.36Å; V17-N19 VanDerWaalsContact C-N 3.28Å; V17-N19 PolarHBondContact O-N 2.97Å; N19-H21 VanDerWaalsContact C-N 3.35Å; N19-H21 PolarHBondContact O-N 3.35Å; N19-F22 WeakPolarHBondContact O-CB 3.45Å; N19-F22 PolarHBondContact O-N 2.9Å; N19-F22 VanDerWaalsContact O-N 3.13Å; N19-I23 WeakPolarHBondContact O-CG1 3.38Å; N19-I23 PolarHBondContact O-N 2.75Å; N19-I23 VanDerWaalsContact O-N 3.09Å
20	E	31	Very low	29.7	Very low	94 Å²	94	120.9 Å²	120.9	44%	0.439	61%	0.61	S	S	.	*	H	α-helix	trans	-57.7	-44.8	177.4	-82	-146.8	118.6	0	0	112.6	F22 I23 R24	E20-F22 VanDerWaalsContact C-N 3.26Å; E20-F22 PolarHBondContact O-N 2.79Å; E20-I23 PolarHBondContact O-N 3.36Å; E20-R24 VanDerWaalsContact CD-NH2 3.34Å; E20-R24 WeakPolarHBondContact O-CB 3.06Å; E20-R24 WeakPolarHBondContact O-CG 3.12Å; E20-R24 PolarHBondContact O-N 2.78Å; E20-R24 IonicContact OE1-CZ 3.47Å; E20-R24 IonicContact OE1-NH1 2.7Å; E20-R24 PolarHBondContact OE1-NH1 2.87Å; E20-R24 IonicContact OE1-NH2 3.38Å; E20-R24 PolarHBondContact OE1-NH2 2.93Å; E20-R24 IonicContact OE2-CZ 2.66Å; E20-R24 IonicContact OE2-NH1 2.71Å; E20-R24 PolarHBondContact OE2-NH1 2.93Å; E20-R24 IonicContact OE2-NH2 3.35Å; E20-R24 PolarHBondContact OE2-NH2 2.8Å
21	H	31.6	Very low	29.7	Very low	132 Å²	132	119 Å²	119	61%	0.611	60%	0.596	S	S	*	*	H	α-helix	trans	-63.4	-32.7	178.6	-78.9	-79.8	0	0	0	112.6	N19 A25	N19-H21 VanDerWaalsContact C-N 3.35Å; N19-H21 PolarHBondContact O-N 3.35Å; H21-A25 WeakPolarHBondContact O-CB 3.15Å; H21-A25 PolarHBondContact O-N 3.14Å
22	F	30.8	Very low	29.9	Very low	146 Å²	146	118.9 Å²	118.9	64%	0.64	60%	0.596	S	S	*	*	H	α-helix	trans	-70.7	-38.3	176.9	-137.9	-88.5	0	0	0	111.8	N19 E20 F26	N19-F22 WeakPolarHBondContact O-CB 3.45Å; N19-F22 PolarHBondContact O-N 2.9Å; N19-F22 VanDerWaalsContact O-N 3.13Å; E20-F22 VanDerWaalsContact C-N 3.26Å; E20-F22 PolarHBondContact O-N 2.79Å; F22-F26 HydrophobicContact CD1-CD2 4.47Å; F22-F26 HydrophobicContact CE1-CE2 4.31Å; F22-F26 PolarHBondContact O-N 3.04Å
23	I	32.5	Very low	30.1	Very low	112 Å²	112	119.6 Å²	119.6	57%	0.574	59%	0.593	S	S	*	*	H	α-helix	trans	-73	-46.5	178.1	-64.8	167.3	0	0	0	110.9	N19 E20 A25 F26 H27	N19-I23 WeakPolarHBondContact O-CG1 3.38Å; N19-I23 PolarHBondContact O-N 2.75Å; N19-I23 VanDerWaalsContact O-N 3.09Å; E20-I23 PolarHBondContact O-N 3.36Å; I23-A25 VanDerWaalsContact C-N 3.3Å; I23-A25 PolarHBondContact O-N 3.02Å; I23-F26 WeakPolarHBondContact O-CB 3.5Å; I23-F26 PolarHBondContact O-N 2.76Å; I23-H27 PolarHBondContact O-N 3.19Å
24	R	28.6	Very low	30.1	Very low	138 Å²	138	118.5 Å²	118.5	52%	0.521	59%	0.589	S	S	.	*	H	α-helix	trans	-60	-38.1	174.9	-72.3	-173.9	178.7	109.2	15	112.1	E20 F26 H27 C28	E20-R24 VanDerWaalsContact CD-NH2 3.34Å; E20-R24 WeakPolarHBondContact O-CB 3.06Å; E20-R24 WeakPolarHBondContact O-CG 3.12Å; E20-R24 PolarHBondContact O-N 2.78Å; E20-R24 IonicContact OE1-CZ 3.47Å; E20-R24 IonicContact OE1-NH1 2.7Å; E20-R24 PolarHBondContact OE1-NH1 2.87Å; E20-R24 IonicContact OE1-NH2 3.38Å; E20-R24 PolarHBondContact OE1-NH2 2.93Å; E20-R24 IonicContact OE2-CZ 2.66Å; E20-R24 IonicContact OE2-NH1 2.71Å; E20-R24 PolarHBondContact OE2-NH1 2.93Å; E20-R24 IonicContact OE2-NH2 3.35Å; E20-R24 PolarHBondContact OE2-NH2 2.8Å; R24-F26 VanDerWaalsContact C-N 3.32Å; R24-F26 PolarHBondContact O-N 2.29Å; R24-H27 PolarHBondContact O-N 3.29Å; R24-C28 WeakPolarHBondContact O-CB 3.16Å; R24-C28 PolarHBondContact O-N 2.78Å; R24-C28 VanDerWaalsContact O-N 3.11Å
25	A	32.2	Very low	30	Very low	61 Å²	61	120.7 Å²	120.7	50%	0.504	59%	0.593	S	S	.	*	H	α-helix	trans	-64.6	-33.2	174.3	0	0	0	0	0	113.2	H21 I23 F29	H21-A25 WeakPolarHBondContact O-CB 3.15Å; H21-A25 PolarHBondContact O-N 3.14Å; I23-A25 VanDerWaalsContact C-N 3.3Å; I23-A25 PolarHBondContact O-N 3.02Å; A25-F29 PolarHBondContact O-N 3.44Å
26	F	29.3	Very low	29.7	Very low	134 Å²	134	120 Å²	120	59%	0.588	60%	0.6	S	S	*	*	H	α-helix	trans	-72.6	-42.3	174.3	-107.7	-92.4	0	0	0	112.6	F22 I23 R24 F29 F30	F22-F26 HydrophobicContact CD1-CD2 4.47Å; F22-F26 HydrophobicContact CE1-CE2 4.31Å; F22-F26 PolarHBondContact O-N 3.04Å; I23-F26 WeakPolarHBondContact O-CB 3.5Å; I23-F26 PolarHBondContact O-N 2.76Å; R24-F26 VanDerWaalsContact C-N 3.32Å; R24-F26 PolarHBondContact O-N 2.29Å; F26-F29 PolarHBondContact O-N 3.45Å; F26-F30 PolarHBondContact O-N 3.48Å
27	H	28.1	Very low	29.5	Very low	127 Å²	127	122.7 Å²	122.7	59%	0.588	61%	0.609	S	S	*	*	H	α-helix	trans	-60.7	-50.1	178.4	-123	-97.4	0	0	0	111.8	I23 R24 F29 F30 E31	I23-H27 PolarHBondContact O-N 3.19Å; R24-H27 PolarHBondContact O-N 3.29Å; H27-F29 PolarHBondContact O-N 3.15Å; H27-F29 VanDerWaalsContact O-N 3.17Å; H27-F30 PolarHBondContact O-N 3.34Å; H27-E31 PolarHBondContact O-N 3.17Å
28	C	30.3	Very low	29.2	Very low	72 Å²	72	123.1 Å²	123.1	49%	0.486	62%	0.616	S	S	.	*	H	α-helix	trans	-62.3	-26.1	179.6	-162.7	0	0	0	0	112.7	R24 L32	R24-C28 WeakPolarHBondContact O-CB 3.16Å; R24-C28 PolarHBondContact O-N 2.78Å; R24-C28 VanDerWaalsContact O-N 3.11Å; C28-L32 WeakPolarHBondContact O-CD1 3.46Å; C28-L32 WeakPolarHBondContact O-CG 3.12Å
29	F	29	Very low	28.7	Very low	111 Å²	111	123.6 Å²	123.6	49%	0.487	63%	0.625	S	S	.	*	H	α-helix	trans	-76.2	-18.7	175.3	-136.8	-80.5	0	0	0	113.9	A25 F26 H27 F33	A25-F29 PolarHBondContact O-N 3.44Å; F26-F29 PolarHBondContact O-N 3.45Å; H27-F29 PolarHBondContact O-N 3.15Å; H27-F29 VanDerWaalsContact O-N 3.17Å; F29-F33 HydrophobicContact CD1-CD2 4.33Å; F29-F33 HydrophobicContact CD1-CE2 4.19Å; F29-F33 HydrophobicContact CE1-CD2 4.28Å; F29-F33 AromaticContact CE1-CE2 3.72Å; F29-F33 HydrophobicContact CE1-CE2 3.72Å; F29-F33 HydrophobicContact CZ-CE2 4.33Å; F29-F33 WeakPolarHBondContact O-CD2 3.23Å
30	F	28.1	Very low	28.2	Very low	149 Å²	149	125.6 Å²	125.6	65%	0.654	64%	0.636	S	S	*	*	H	α-helix	trans	-89.2	-40.1	177.4	-103.6	-91.4	0	0	0	112.8	F26 H27 L32 F33 S34	F26-F30 PolarHBondContact O-N 3.48Å; H27-F30 PolarHBondContact O-N 3.34Å; F30-L32 PolarHBondContact O-N 3.25Å; F30-F33 PolarHBondContact O-N 2.89Å; F30-S34 PolarHBondContact O-N 2.59Å; F30-S34 PolarHBondContact O-OG 2.85Å
31	E	28.1	Very low	27.8	Very low	125 Å²	125	129.4 Å²	129.4	58%	0.584	65%	0.654	S	S	*	*	H	α-helix	trans	-64.9	-40.2	-179.7	-67.1	-179.7	160.7	0	0	112.3	H27 F33 S34	H27-E31 PolarHBondContact O-N 3.17Å; E31-F33 PolarHBondContact O-N 3.42Å; E31-F33 VanDerWaalsContact O-N 3.16Å; E31-S34 PolarHBondContact O-N 3.43Å; E31-S34 VanDerWaalsContact O-N 3.14Å
32	L	30.6	Very low	27.4	Very low	125 Å²	125	129.6 Å²	129.6	65%	0.654	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-17.5	-179.2	-72	174	0	0	0	114.3	C28 F30	C28-L32 WeakPolarHBondContact O-CD1 3.46Å; C28-L32 WeakPolarHBondContact O-CG 3.12Å; F30-L32 PolarHBondContact O-N 3.25Å
33	F	29.5	Very low	27	Very low	164 Å²	164	130.9 Å²	130.9	72%	0.719	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.4	2	176.6	-74.8	-83.7	0	0	0	113.8	F29 F30 E31	F29-F33 HydrophobicContact CD1-CD2 4.33Å; F29-F33 HydrophobicContact CD1-CE2 4.19Å; F29-F33 HydrophobicContact CE1-CD2 4.28Å; F29-F33 AromaticContact CE1-CE2 3.72Å; F29-F33 HydrophobicContact CE1-CE2 3.72Å; F29-F33 HydrophobicContact CZ-CE2 4.33Å; F29-F33 WeakPolarHBondContact O-CD2 3.23Å; F30-F33 PolarHBondContact O-N 2.89Å; E31-F33 PolarHBondContact O-N 3.42Å; E31-F33 VanDerWaalsContact O-N 3.16Å
34	S	26.9	Very low	26.6	Very low	84 Å²	84	132.1 Å²	132.1	59%	0.587	67%	0.672	S	S	*	*			trans	-100.1	2.8	-177.2	-60.6	0	0	0	0	114.4	F30 E31 P36	F30-S34 PolarHBondContact O-N 2.59Å; F30-S34 PolarHBondContact O-OG 2.85Å; E31-S34 PolarHBondContact O-N 3.43Å; E31-S34 VanDerWaalsContact O-N 3.14Å; S34-P36 WeakPolarHBondContact O-CD 3.31Å
35	K	25.7	Very low	26.3	Very low	173 Å²	173	134.8 Å²	134.8	75%	0.752	69%	0.687	S	S	*	*			trans	-77.8	119.9	179	-66.4	-167.4	175.3	-170.8	0	111	I37	K35-I37 PolarHBondContact O-N 3.44Å
36	P	23.4	Very low	25.9	Very low	124 Å²	124	140.6 Å²	140.6	81%	0.805	70%	0.697	S	S	*	*			trans	-71.5	123.9	177	29	-33.2	0	0	0	110.2	S34 S38	S34-P36 WeakPolarHBondContact O-CD 3.31Å; P36-S38 PolarHBondContact O-N 2.92Å
37	I	26.2	Very low	25.5	Very low	166 Å²	166	141 Å²	141	85%	0.851	71%	0.706	S	S	*	*			trans	-80.3	113.3	164.1	-61.3	175.8	0	0	0	106.6	K35 N39	K35-I37 PolarHBondContact O-N 3.44Å; I37-N39 PolarHBondContact O-N 3.12Å
38	S	24.1	Very low	25.3	Very low	101 Å²	101	140.2 Å²	140.2	71%	0.706	71%	0.71	S	S	*	*			trans	-63.4	115.8	175.9	55.5	0	0	0	0	111	P36	P36-S38 PolarHBondContact O-N 2.92Å
39	N	23.9	Very low	25	Very low	152 Å²	152	145 Å²	145	81%	0.813	72%	0.722	S	S	*	*			trans	-168.4	131.4	144.3	-95	-26.4	0	0	0	110.2	I37	I37-N39 PolarHBondContact O-N 3.12Å
40	N	22.9	Very low	24.9	Very low	147 Å²	147	148.9 Å²	148.9	79%	0.786	74%	0.735	S	S	*	*			trans	11.7	120.9	171	-58.6	2.6	0	0	0	119.7
41	E	21.8	Very low	24.7	Very low	175 Å²	175	148.6 Å²	148.6	82%	0.818	74%	0.74	S	S	*	*			trans	37.4	94.9	137	-56.4	-174.2	164.2	0	0	118.4
42	N	23.7	Very low	24.5	Very low	135 Å²	135	147.2 Å²	147.2	72%	0.722	74%	0.744	S	S	*	*				171.1	123.9	113.6	-96.9	-79.2	0	0	0	113.2
43	K	23.1	Very low	24.4	Very low	174 Å²	174	150.1 Å²	150.1	76%	0.757	75%	0.751	S	S	*	*			trans	37.5	89.3	155.4	-68.7	172.4	177.6	163.8	0	118.4	F45	K43-F45 PolarHBondContact O-N 3.38Å
44	L	22.9	Very low	24.2	Very low	138 Å²	138	151.7 Å²	151.7	72%	0.723	76%	0.758	S	S	*	*			trans	-70.3	116	157.7	-93.4	78.5	0	0	0	111.2	Y46	L44-Y46 HydrophobicContact CB-CD2 4.45Å; L44-Y46 HydrophobicContact CB-CE2 4.27Å; L44-Y46 HydrophobicContact CD2-CE2 3.68Å
45	F	21.8	Very low	24.1	Very low	194 Å²	194	155.8 Å²	155.8	85%	0.851	77%	0.768	S	S	*	*			trans	-89.6	100.1	162.4	-91.2	-90.2	0	0	0	110.2	K43	K43-F45 PolarHBondContact O-N 3.38Å
46	Y	24.3	Very low	24	Very low	182 Å²	182	152.4 Å²	152.4	71%	0.714	77%	0.766	S	S	*	*			trans	-71.6	133.9	167.7	-80.7	-77.4	0	0	0	111	L44 T48	L44-Y46 HydrophobicContact CB-CD2 4.45Å; L44-Y46 HydrophobicContact CB-CE2 4.27Å; L44-Y46 HydrophobicContact CD2-CE2 3.68Å; Y46-T48 VanDerWaalsContact C-N 3.34Å; Y46-T48 PolarHBondContact O-N 2.89Å
47	N	22	Very low	24.1	Very low	143 Å²	143	156.5 Å²	156.5	77%	0.765	77%	0.771	S	S	*	*			trans	-86.4	72.8	-174.6	-162.7	-11.4	0	0	0	111	K49	N47-K49 PolarHBondContact O-N 3.26Å
48	T	23.6	Very low	24.1	Very low	110 Å²	110	152.5 Å²	152.5	68%	0.675	76%	0.758	S	S	*	*			trans	-62.6	13.6	-168.8	48.9	0	0	0	0	116.8	Y46 Y50	Y46-T48 VanDerWaalsContact C-N 3.34Å; Y46-T48 PolarHBondContact O-N 2.89Å; T48-Y50 PolarHBondContact O-N 2.97Å
49	K	24.2	Very low	24.1	Very low	172 Å²	172	153.2 Å²	153.2	75%	0.748	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	9.2	-162	-141.2	167.6	-169.8	166.4	0	116.6	N47	N47-K49 PolarHBondContact O-N 3.26Å
50	Y	25.4	Very low	24.2	Very low	193 Å²	193	154.8 Å²	154.8	76%	0.757	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.6	-4.2	-179.3	-84.9	-81.8	0	0	0	115.4	T48	T48-Y50 PolarHBondContact O-N 2.97Å
51	L	25.2	Very low	24.4	Very low	144 Å²	144	154.7 Å²	154.7	75%	0.754	76%	0.762	S	S	*	*	S	Bend	trans	-89.2	-30.9	-177.6	-74.3	163.7	0	0	0	113.8	K53	L51-K53 PolarHBondContact O-N 3.19Å
52	S	24.1	Very low	24.6	Very low	95 Å²	95	153.1 Å²	153.1	66%	0.664	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	43.2	-170.6	72.8	0	0	0	0	114.8
53	K	27.4	Very low	24.8	Very low	187 Å²	187	150.9 Å²	150.9	81%	0.813	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.3	10.1	-179.7	-133.2	-167.9	177.2	-158.8	0	118	L51	L51-K53 PolarHBondContact O-N 3.19Å
54	F	25.4	Very low	25	Very low	196 Å²	196	147 Å²	147	86%	0.86	74%	0.744	S	S	*	*	S	Bend	trans	-102.4	-10.5	167.3	-96	-93.3	0	0	0	113.2	S56	F54-S56 PolarHBondContact O-N 3.43Å
55	E	24.9	Very low	25.1	Very low	170 Å²	170	146.6 Å²	146.6	79%	0.794	74%	0.741	S	S	*	*			trans	-76.6	63.3	177.3	-61.5	167.1	138.6	0	0	111.7
56	S	23.9	Very low	25.3	Very low	103 Å²	103	143.1 Å²	143.1	72%	0.72	73%	0.731	S	S	*	*	S	Bend	trans	178.1	72.6	163.1	31	0	0	0	0	113.1	F54	F54-S56 PolarHBondContact O-N 3.43Å
57	K	25.2	Very low	25.4	Very low	209 Å²	209	139.6 Å²	139.6	91%	0.909	73%	0.725	S	S	*	*	S	Bend	trans	166.8	67.8	149.9	-93.5	166.3	-179.2	-168.5	0	112.2
58	S	26.4	Very low	25.7	Very low	83 Å²	83	139.6 Å²	139.6	58%	0.58	72%	0.724	S	S	*	*			trans	-157.1	35.4	168.7	64.8	0	0	0	0	112.7	F60	S58-F60 PolarHBondContact O-N 3.14Å
59	S	24.1	Very low	25.8	Very low	115 Å²	115	141.2 Å²	141.2	80%	0.804	73%	0.727	S	S	*	*			trans	-80.4	47.1	178.6	58.7	0	0	0	0	112.3
60	F	26.2	Very low	25.8	Very low	186 Å²	186	138 Å²	138	82%	0.816	72%	0.719	S	S	*	*	S	Bend	trans	-161.1	146.8	173.5	-128.8	-103.9	0	0	0	106.3	S58 Q62	S58-F60 PolarHBondContact O-N 3.14Å; F60-Q62 VanDerWaalsContact C-N 3.35Å; F60-Q62 PolarHBondContact O-N 3.43Å
61	L	27.5	Very low	25.9	Very low	144 Å²	144	134.8 Å²	134.8	75%	0.754	72%	0.715	S	S	*	*	S	Bend	trans	70.3	7.3	-174.1	-50.4	176.6	0	0	0	117.7	S63	L61-S63 VanDerWaalsContact C-N 3.32Å; L61-S63 PolarHBondContact O-N 3.24Å
62	Q	25.8	Very low	25.9	Very low	142 Å²	142	135.9 Å²	135.9	66%	0.664	72%	0.721	S	S	*	*	S	Bend	trans	-83.8	-0.2	177.9	-155.8	170.3	-1.8	0	0	114.4	F60	F60-Q62 VanDerWaalsContact C-N 3.35Å; F60-Q62 PolarHBondContact O-N 3.43Å
63	S	26.6	Very low	25.9	Very low	88 Å²	88	137.4 Å²	137.4	62%	0.615	73%	0.73	S	S	*	*	S	Bend	trans	-110	-7.5	-168.8	48.6	0	0	0	0	116.4	L61	L61-S63 VanDerWaalsContact C-N 3.32Å; L61-S63 PolarHBondContact O-N 3.24Å
64	S	27.3	Very low	25.7	Very low	92 Å²	92	136.7 Å²	136.7	64%	0.643	73%	0.727	S	S	*	*	S	Bend	trans	-112	-6.7	-175.6	-56.1	0	0	0	0	114.8
65	I	26.2	Very low	25.8	Very low	130 Å²	130	131.4 Å²	131.4	67%	0.667	72%	0.719	S	S	*	*	S	Bend	trans	-108.6	-16.9	-179.5	-63.9	174.2	0	0	0	111.5	N67	I65-N67 VanDerWaalsContact C-N 3.34Å; I65-N67 PolarHBondContact O-N 2.88Å
66	L	25.9	Very low	25.7	Very low	122 Å²	122	134.1 Å²	134.1	64%	0.639	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-4.6	-175.3	-143	72.7	0	0	0	114.7
67	N	27.2	Very low	25.7	Very low	108 Å²	108	136.5 Å²	136.5	58%	0.578	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	-13.1	-173.5	-68.5	0.5	0	0	0	114.3	I65	I65-N67 VanDerWaalsContact C-N 3.34Å; I65-N67 PolarHBondContact O-N 2.88Å
68	N	27	Very low	25.8	Very low	142 Å²	142	133.6 Å²	133.6	76%	0.759	72%	0.723	S	S	*	*	S	Bend	trans	-104.5	24.2	-171.9	-66.6	13.4	0	0	0	113.7
69	I	26.4	Very low	25.9	Very low	144 Å²	144	135.8 Å²	135.8	74%	0.738	73%	0.728	S	S	*	*	S	Bend	trans	-133.5	12.1	-177.4	-49.4	-178.8	0	0	0	111.2
70	N	24.8	Very low	26.1	Very low	106 Å²	106	136.3 Å²	136.3	57%	0.567	72%	0.722	S	S	*	*	S	Bend	trans	-108.6	-2.7	-167.6	-86.9	-29.6	0	0	0	116.7
71	D	25.7	Very low	26	Very low	125 Å²	125	134.6 Å²	134.6	67%	0.668	72%	0.72	S	S	*	*	S	Bend	trans	-110	-23.2	-163.6	-65.9	-50.5	0	0	0	116.6	C73	D71-C73 PolarHBondContact O-N 3.28Å
72	D	25.7	Very low	26	Very low	167 Å²	167	134.1 Å²	134.1	89%	0.893	72%	0.723	S	S	*	*	S	Bend	trans	-92.3	16	-173.2	-77	-43.2	0	0	0	115.9
73	C	24.1	Very low	25.9	Very low	126 Å²	126	131.1 Å²	131.1	85%	0.851	72%	0.723	S	S	*	*			trans	-139.1	60.5	-177.2	-82.8	0	0	0	0	113.7	D71	D71-C73 PolarHBondContact O-N 3.28Å
74	K	24.5	Very low	25.8	Very low	173 Å²	173	133 Å²	133	75%	0.752	73%	0.73	S	S	*	*			trans	-144.7	90.4	171.7	-69.9	177.5	-172.7	144.9	0	113.5
75	A	25.4	Very low	25.7	Very low	84 Å²	84	133.7 Å²	133.7	69%	0.694	74%	0.736	S	S	*	*	S	Bend	trans	-169.9	145.9	146.5	0	0	0	0	0	111.4
76	Y	24.9	Very low	25.8	Very low	228 Å²	228	132 Å²	132	89%	0.894	74%	0.735	S	S	*	*			trans	57.5	70.6	165	-58.4	-70	0	0	0	119
77	D	23.9	Very low	25.7	Very low	153 Å²	153	131.9 Å²	131.9	82%	0.818	74%	0.74	S	S	*	*				-82.1	137	124.5	-92.3	-47.1	0	0	0	108.4
78	N	27.1	Very low	25.6	Very low	147 Å²	147	131.8 Å²	131.8	79%	0.786	75%	0.747	S	S	*	*			trans	170.1	128.1	135.9	-88	-24.5	0	0	0	113
79	N	27.7	Very low	25.5	Very low	129 Å²	129	131 Å²	131	69%	0.69	75%	0.748	S	S	*	*			trans	78.3	117.2	145.6	-61.5	18.3	0	0	0	122
80	D	28	Very low	25.5	Very low	127 Å²	127	129.9 Å²	129.9	68%	0.679	75%	0.748	S	S	*	*				73.6	87.5	127.3	-53	-27.1	0	0	0	122.1
81	I	24.5	Very low	25.7	Very low	149 Å²	149	131.4 Å²	131.4	76%	0.764	76%	0.761	S	S	*	*				27.2	108.1	113.4	-46	166.8	0	0	0	116.4
82	T	26.9	Very low	25.8	Very low	135 Å²	135	132.1 Å²	132.1	83%	0.828	77%	0.765	S	S	*	*				-173.9	139	117.2	19.8	0	0	0	0	115.4
83	A	24.4	Very low	25.9	Very low	79 Å²	79	130 Å²	130	65%	0.653	75%	0.754	S	S	*	*			trans	50.1	116	135.7	0	0	0	0	0	124
84	T	24.5	Very low	26.1	Very low	126 Å²	126	130.5 Å²	130.5	77%	0.773	75%	0.748	S	S	*	*				74.4	132.1	126.1	56.6	0	0	0	0	124
85	S	25.5	Very low	26.4	Very low	108 Å²	108	131.1 Å²	131.1	76%	0.755	75%	0.751	S	S	*	*			trans	68	145.5	143.6	47.5	0	0	0	0	120.8
86	S	26.7	Very low	26.6	Very low	95 Å²	95	133.3 Å²	133.3	66%	0.664	75%	0.751	S	S	*	*			cis	-169.5	148.9	-14.3	47	0	0	0	0	113.3
87	T	24.8	Very low	26.7	Very low	118 Å²	118	129.8 Å²	129.8	72%	0.724	74%	0.742	S	S	*	*			trans	56.5	134	145.8	52.2	0	0	0	0	123.2
88	S	24.9	Very low	26.9	Very low	106 Å²	106	129.7 Å²	129.7	74%	0.741	73%	0.731	S	S	*	*			trans	71.8	149.1	139.8	71	0	0	0	0	119
89	T	25.9	Very low	26.9	Very low	127 Å²	127	126.5 Å²	126.5	78%	0.779	71%	0.713	S	S	*	*			cis	-152.6	165.3	-1.1	-7.6	0	0	0	0	113.4
90	T	24.6	Very low	27	Very low	120 Å²	120	125.9 Å²	125.9	74%	0.736	71%	0.71	S	S	*	*			trans	-40.2	141.1	170.8	50.6	0	0	0	0	119.8
91	T	30.6	Very low	27	Very low	137 Å²	137	128.9 Å²	128.9	84%	0.84	72%	0.718	S	S	*	*				-166.9	153.3	118.2	34.6	0	0	0	0	108.1
92	N	28	Very low	27.1	Very low	141 Å²	141	127.4 Å²	127.4	75%	0.754	71%	0.711	S	S	*	*			cis	138.6	135.2	-7.9	-124.7	8.4	0	0	0	108.6
93	N	28	Very low	27.1	Very low	121 Å²	121	127.6 Å²	127.6	65%	0.647	71%	0.712	S	S	*	*			trans	99.4	93.2	155.6	-58.1	-22.8	0	0	0	123.1
94	N	28.1	Very low	27.1	Very low	137 Å²	137	130 Å²	130	73%	0.733	71%	0.714	S	S	*	*				95.2	143.1	108.6	-66.7	-24.6	0	0	0	124.7
95	K	30.9	Very low	27.2	Very low	186 Å²	186	131 Å²	131	81%	0.809	72%	0.715	S	S	*	*			trans	79.8	122.1	165.8	-65.6	165.6	-177.4	-179	0	115.9
96	N	27.8	Very low	27.1	Very low	131 Å²	131	136.1 Å²	136.1	70%	0.701	72%	0.719	S	S	*	*				79.5	136.5	55.2	-70.6	31.8	0	0	0	111.2
97	E	27.9	Very low	27	Very low	153 Å²	153	138.5 Å²	138.5	72%	0.715	72%	0.723	S	S	*	*			cis	-165.9	178.7	15.7	-108.1	151.5	-136.8	0	0	107.5
98	R	27.1	Very low	26.9	Very low	152 Å²	152	138.7 Å²	138.7	57%	0.574	72%	0.719	S	S	*	*			cis	-178.1	146.6	-34.7	-117	-171.3	172.4	147.3	-5.6	108
99	N	28.7	Very low	26.9	Very low	79 Å²	79	140.3 Å²	140.3	42%	0.422	72%	0.715	S	S	.	*			trans	73.7	130.3	140.9	-64	6.2	0	0	0	126.2
100	N	29	Very low	26.7	Very low	117 Å²	117	142 Å²	142	63%	0.626	71%	0.714	S	S	*	*			trans	64.3	154.6	135.3	-56.8	-2.9	0	0	0	120.4
101	F	28.3	Very low	26.6	Very low	190 Å²	190	140.8 Å²	140.8	83%	0.833	71%	0.711	S	S	*	*			cis	-138.6	171.1	24.7	-79.2	-110.7	0	0	0	112.3
102	N	26.4	Very low	26.3	Very low	118 Å²	118	139.3 Å²	139.3	63%	0.631	71%	0.705	S	S	*	*			cis	121.8	84.9	-7.6	-171.9	99.5	0	0	0	116.9
103	T	27.9	Very low	26	Very low	138 Å²	138	139.5 Å²	139.5	85%	0.847	71%	0.706	S	S	*	*			trans	-148.3	140	162.7	35.7	0	0	0	0	109.6
104	N	23.4	Very low	25.8	Very low	130 Å²	130	140.2 Å²	140.2	70%	0.695	72%	0.715	S	S	*	*			cis	102	147.5	20.3	-79.1	-7.9	0	0	0	116.8
105	N	26.7	Very low	25.7	Very low	148 Å²	148	144.1 Å²	144.1	79%	0.791	72%	0.721	S	S	*	*			trans	98.4	117.7	-177	-55.1	-9.8	0	0	0	113.9
106	Y	22.6	Very low	25.3	Very low	215 Å²	215	141.3 Å²	141.3	84%	0.843	72%	0.715	S	S	*	*			cis	74.5	76.3	-0.3	-107.4	-62.4	0	0	0	118.7
107	I	26.5	Very low	25.1	Very low	144 Å²	144	141.6 Å²	141.6	74%	0.738	72%	0.716	S	S	*	*			trans	-148.1	123.4	153.8	-54.7	-177.3	0	0	0	104
108	N	22.4	Very low	25	Very low	122 Å²	122	140.6 Å²	140.6	65%	0.652	72%	0.72	S	S	*	*			cis	87.9	153.7	45.5	-73.7	4.4	0	0	0	114.6
109	H	23.5	Very low	24.9	Very low	140 Å²	140	142.1 Å²	142.1	65%	0.648	73%	0.734	S	S	*	*			trans	75	123.8	-178	-65	-78.6	0	0	0	114.9
110	E	22.9	Very low	24.6	Very low	163 Å²	163	147.8 Å²	147.8	76%	0.762	76%	0.758	S	S	*	*				76.8	143.7	62.2	-75.3	172.9	-165.1	0	0	112.3
111	S	23	Very low	24.3	Very low	95 Å²	95	146.9 Å²	146.9	66%	0.664	76%	0.76	S	S	*	*			cis	-165.1	178	-2.4	46.4	0	0	0	0	110.1
112	C	23	Very low	24.1	Very low	106 Å²	106	144.8 Å²	144.8	72%	0.716	76%	0.757	S	S	*	*			trans	68.7	134.3	172.5	-56.7	0	0	0	0	115.3
113	D	21.7	Very low	24	Very low	144 Å²	144	147.5 Å²	147.5	77%	0.77	76%	0.764	S	S	*	*			cis	81.2	140.7	39.6	-68.4	-56.8	0	0	0	115
114	T	24	Very low	23.7	Very low	136 Å²	136	147 Å²	147	83%	0.834	77%	0.766	S	S	*	*			trans	70.3	150.3	-176.2	75.6	0	0	0	0	115.2
115	Y	25	Very low	23.7	Very low	219 Å²	219	146 Å²	146	86%	0.859	77%	0.769	S	S	*	*			cis	-136.8	159.5	2	-160.9	-108	0	0	0	111.4
116	N	23.8	Very low	23.6	Very low	128 Å²	128	142.6 Å²	142.6	68%	0.684	77%	0.769	S	S	*	*			trans	-94.5	169.5	-174.2	-108.4	-37.4	0	0	0	113.2
117	N	23.6	Very low	23.7	Very low	137 Å²	137	140.6 Å²	140.6	73%	0.733	77%	0.772	S	S	*	*			trans	72.6	121.1	160.2	-53.6	-40.3	0	0	0	119.1
118	T	24.5	Very low	23.4	Very low	131 Å²	131	141.4 Å²	141.4	80%	0.804	77%	0.773	S	S	*	*				-162.6	167.1	107.6	16	0	0	0	0	110.7
119	H	26.7	Very low	23.4	Very low	185 Å²	185	143.9 Å²	143.9	86%	0.856	78%	0.778	S	S	*	*			trans	64.3	58	177.9	-65.6	-75.8	0	0	0	117.9
120	Q	22.4	Very low	23.3	Very low	197 Å²	197	143 Å²	143	92%	0.921	78%	0.782	S	S	*	*			trans	-124.2	85.7	150.5	-170.4	-179.6	19.2	0	0	110.9
121	S	22.9	Very low	23.3	Very low	98 Å²	98	145.7 Å²	145.7	69%	0.685	79%	0.792	S	S	*	*			trans	-164.4	162.2	166.9	59.5	0	0	0	0	110.5
122	L	23.9	Very low	23.2	Very low	146 Å²	146	151.9 Å²	151.9	76%	0.764	80%	0.801	S	S	*	*			trans	66.4	117.9	179.4	-48.8	179.9	0	0	0	114.1
123	F	23.9	Very low	23.2	Very low	175 Å²	175	153.6 Å²	153.6	77%	0.768	80%	0.803	S	S	*	*			cis	-135.2	145.7	4.9	-100.9	-91.5	0	0	0	111.6
124	S	21.2	Very low	23.2	Very low	128 Å²	128	154.5 Å²	154.5	90%	0.895	80%	0.802	S	S	*	*			trans	-136.2	89.9	170.9	-74.7	0	0	0	0	111.2
125	S	24.1	Very low	23.2	Very low	109 Å²	109	156.3 Å²	156.3	76%	0.762	80%	0.799	S	S	*	*			trans	-173.4	139.6	169.2	51.7	0	0	0	0	109.6
126	G	23.6	Very low	23.1	Very low	77 Å²	77	154.1 Å²	154.1	79%	0.794	80%	0.8	S	S	*	*			trans	154.1	49.4	176.5	0	0	0	0	0	118.1
127	L	24.4	Very low	23	Very low	172 Å²	172	154.9 Å²	154.9	90%	0.901	80%	0.802	S	S	*	*			trans	29	129	155.7	-76.8	160.6	0	0	0	122
128	Q	21.3	Very low	23.2	Very low	162 Å²	162	153.7 Å²	153.7	76%	0.757	80%	0.803	S	S	*	*			trans	-51.2	138.9	163.6	-47.8	160.5	-0.5	0	0	113.1
129	K	22.3	Very low	23.2	Very low	173 Å²	173	155.9 Å²	155.9	75%	0.752	80%	0.803	S	S	*	*				171.7	150.9	108.2	-92	155.3	-172.5	172.2	0	113.6
130	T	21	Very low	23.1	Very low	122 Å²	122	158.1 Å²	158.1	75%	0.748	81%	0.806	S	S	*	*			trans	33.5	99.8	153.3	56.6	0	0	0	0	119.1
131	F	22.4	Very low	23.1	Very low	220 Å²	220	153.3 Å²	153.3	97%	0.965	80%	0.8	S	S	*	*				-153.5	142.7	113	-103.1	-71.2	0	0	0	110.1
132	R	21	Very low	23.2	Very low	224 Å²	224	153.7 Å²	153.7	85%	0.845	80%	0.802	S	S	*	*			trans	-98.8	146.9	-179.4	-119.5	176.5	-179.8	166.1	-0.7	109.5
133	N	22.7	Very low	23.3	Very low	142 Å²	142	157.1 Å²	157.1	76%	0.759	81%	0.807	S	S	*	*	S	Bend	trans	75.4	55.4	165.8	-47.1	-21.5	0	0	0	117.8
134	H	23.1	Very low	23.3	Very low	163 Å²	163	158.1 Å²	158.1	76%	0.755	82%	0.816	S	S	*	*			trans	-151.9	161.8	147.5	-109.6	-80.9	0	0	0	111.7
135	F	22.5	Very low	23.6	Very low	175 Å²	175	160.7 Å²	160.7	77%	0.768	81%	0.811	S	S	*	*			trans	17.5	124.9	169.9	-62.2	-73.1	0	0	0	121
136	I	23.9	Very low	23.7	Very low	173 Å²	173	161.3 Å²	161.3	89%	0.887	81%	0.814	S	S	*	*			trans	-129.8	107.2	152.6	-62.8	-177.5	0	0	0	109
137	I	21.4	Very low	23.8	Very low	143 Å²	143	165.5 Å²	165.5	73%	0.733	81%	0.813	S	S	*	*			trans	-91.8	-179.6	154.5	12.9	174.4	0	0	0	107.2
138	P	28	Very low	24	Very low	113 Å²	113	166.1 Å²	166.1	73%	0.734	81%	0.809	S	S	*	*			cis	-103	-143.2	-12.1	16.5	8.3	0	0	0	109.2
139	Q	25.6	Very low	24.3	Very low	176 Å²	176	168 Å²	168	82%	0.822	82%	0.815	S	S	*	*			cis	-146.8	164.6	7.4	-63.8	170.6	-86.6	0	0	110.9
140	Y	24.1	Very low	24.5	Very low	233 Å²	233	167.7 Å²	167.7	91%	0.914	82%	0.821	S	S	*	*			trans	-100.3	-177.6	157.4	-92.3	-108.7	0	0	0	110
141	A	22.3	Very low	24.7	Very low	95 Å²	95	168.7 Å²	168.7	79%	0.785	82%	0.822	S	S	*	*			trans	69.8	74.6	175.3	0	0	0	0	0	116.7
142	S	24.5	Very low	24.9	Very low	106 Å²	106	164.7 Å²	164.7	74%	0.741	82%	0.815	S	S	*	*			trans	-161.3	148.6	149.3	-83.6	0	0	0	0	110.8
143	Y	26.6	Very low	25.3	Very low	218 Å²	218	162 Å²	162	86%	0.855	82%	0.817	S	S	*	*			trans	68.2	48.8	174.3	-54.7	-74.9	0	0	0	118.4
144	M	24.2	Very low	25.4	Very low	197 Å²	197	165 Å²	165	97%	0.97	82%	0.823	S	S	*	*			trans	-93.2	99.9	130.9	-82.3	-162	173.1	0	0	108.8
145	K	26.3	Very low	25.6	Very low	181 Å²	181	164.1 Å²	164.1	79%	0.787	82%	0.822	S	S	*	*			trans	-127.9	96.6	159.8	-87.2	-157.1	169.9	-157.4	0	107.8
146	C	26.1	Very low	25.7	Very low	123 Å²	123	163.7 Å²	163.7	83%	0.831	82%	0.823	S	S	*	*			trans	-131.2	100.1	166.1	-163.3	0	0	0	0	106.6	K148	C146-K148 PolarHBondContact O-N 2.79Å
147	E	25.4	Very low	26	Very low	164 Å²	164	163.5 Å²	163.5	77%	0.766	82%	0.818	S	S	*	*			trans	-74.1	91.1	-178	-69.7	150.2	178.9	0	0	108.9
148	K	29.4	Very low	26.3	Very low	185 Å²	185	163.4 Å²	163.4	80%	0.804	82%	0.819	S	S	*	*			trans	174.1	71	165.1	-98.5	154.4	-174.1	-179.6	0	111.3	C146	C146-K148 PolarHBondContact O-N 2.79Å
149	F	27.1	Very low	26.2	Very low	201 Å²	201	163.1 Å²	163.1	88%	0.882	82%	0.816	S	S	*	*			trans	-176	81	157.4	-106.3	-66.9	0	0	0	108.3
150	N	26.7	Very low	26.3	Very low	167 Å²	167	160.7 Å²	160.7	89%	0.893	81%	0.808	S	S	*	*			trans	-154.9	17.3	168.2	-116.8	7.3	0	0	0	112.2
151	D	26.4	Very low	26.5	Very low	144 Å²	144	156.6 Å²	156.6	77%	0.77	80%	0.797	S	S	*	*			trans	-95.7	151.9	165.7	-56.7	-63.5	0	0	0	107.9
152	V	26.7	Very low	26.8	Very low	135 Å²	135	159.2 Å²	159.2	82%	0.818	80%	0.797	S	S	*	*	S	Bend	trans	76.3	138.6	-166.7	-165.7	0	0	0	0	113
153	L	27.6	Very low	27.1	Very low	169 Å²	169	159.1 Å²	159.1	89%	0.885	79%	0.793	S	S	*	*			trans	74.4	55.5	-174.3	-49.9	-173.3	0	0	0	116.6
154	K	25.2	Very low	27.1	Very low	205 Å²	205	155.8 Å²	155.8	89%	0.891	79%	0.79	S	S	*	*			trans	-113.8	103.5	143.6	-84	-168.1	177.5	-174	0	109.6
155	I	27.3	Very low	27.1	Very low	143 Å²	143	152.3 Å²	152.3	73%	0.733	78%	0.775	S	S	*	*			trans	-146.8	104	161.8	-65	-172.7	0	0	0	101.2
156	E	26.2	Very low	27	Very low	166 Å²	166	150 Å²	150	78%	0.776	77%	0.771	S	S	*	*				64.1	127.5	96.3	-66.2	168.4	169.3	0	0	110.5
157	E	29.5	Very low	26.9	Very low	169 Å²	169	148.5 Å²	148.5	79%	0.79	76%	0.762	S	S	*	*			cis	-127.6	157.5	21.5	-93	141.4	173.1	0	0	111.4
158	N	26.5	Very low	27	Very low	141 Å²	141	147.6 Å²	147.6	75%	0.754	76%	0.761	S	S	*	*				48.5	132.2	74.6	-61.9	-27.9	0	0	0	112.4
159	T	26.6	Very low	26.7	Very low	108 Å²	108	143.5 Å²	143.5	66%	0.663	76%	0.755	S	S	*	*			cis	-154.3	161.1	13	27.9	0	0	0	0	110.4
160	N	28	Very low	26.6	Very low	125 Å²	125	138.6 Å²	138.6	67%	0.668	75%	0.746	S	S	*	*			trans	52.7	147.1	139.7	-56.7	20.5	0	0	0	120.1
161	E	29.2	Very low	26.5	Very low	146 Å²	146	137 Å²	137	68%	0.682	74%	0.737	S	S	*	*			cis	-162.3	135.9	-1	-118.3	163.8	-121.4	0	0	109.9
162	I	27.4	Very low	26.5	Very low	151 Å²	151	136.9 Å²	136.9	77%	0.774	74%	0.736	S	S	*	*			trans	64.3	148.6	146.6	-64.4	170.1	0	0	0	119.2
163	P	30.7	Very low	26.4	Very low	103 Å²	103	137.3 Å²	137.3	67%	0.669	73%	0.729	S	S	*	*			trans	-121.3	-156.6	-166	39.3	-20.4	0	0	0	114.7
164	L	26.1	Very low	26.5	Very low	148 Å²	148	137.5 Å²	137.5	78%	0.775	72%	0.722	S	S	*	*			trans	78.9	145.7	-175.5	-60.8	104.4	0	0	0	114.2
165	D	25.3	Very low	26.5	Very low	125 Å²	125	132 Å²	132	67%	0.668	71%	0.71	S	S	*	*			cis	-150.2	168.9	2.8	-141.8	-11.3	0	0	0	115.7
166	L	25.1	Very low	26.4	Very low	132 Å²	132	132.2 Å²	132.2	69%	0.691	71%	0.712	S	S	*	*			trans	32.9	108.6	148.8	-79	163.7	0	0	0	121.9
167	S	23.6	Very low	26.3	Very low	92 Å²	92	129.2 Å²	129.2	64%	0.643	71%	0.705	S	S	*	*				92.6	166.6	111	83.5	0	0	0	0	122.8
168	I	25.9	Very low	26.2	Very low	145 Å²	145	129.6 Å²	129.6	74%	0.744	71%	0.706	S	S	*	*			trans	70	81.2	160.1	-59.2	166.2	0	0	0	117.6
169	S	23	Very low	26.1	Very low	99 Å²	99	127.6 Å²	127.6	69%	0.692	70%	0.703	S	S	*	*				48.4	136.6	126.5	75.5	0	0	0	0	123.5
170	S	25.4	Very low	26	Very low	97 Å²	97	130.1 Å²	130.1	68%	0.678	71%	0.709	S	S	*	*			trans	101.7	140.9	130.6	85.6	0	0	0	0	120
171	N	25.8	Very low	25.9	Very low	133 Å²	133	131 Å²	131	71%	0.711	71%	0.714	S	S	*	*			trans	72.8	100.9	143.7	-62.5	-18.8	0	0	0	121.8
172	L	25.2	Very low	25.8	Very low	143 Å²	143	129.5 Å²	129.5	75%	0.749	72%	0.715	S	S	*	*				70.7	108.9	123	-88.7	84.8	0	0	0	120.8
173	H	26	Very low	25.7	Very low	143 Å²	143	128.3 Å²	128.3	66%	0.662	72%	0.715	S	S	*	*				85.1	147.6	107.9	-157.8	-42.4	0	0	0	118.5
174	K	28.1	Very low	25.6	Very low	173 Å²	173	131.4 Å²	131.4	75%	0.752	72%	0.724	S	S	*	*			trans	81.5	147.3	171.9	-78	119.3	179.6	-176.3	0	115.3
175	S	25.2	Very low	25.6	Very low	91 Å²	91	132.3 Å²	132.3	64%	0.636	72%	0.724	S	S	*	*			cis	-176.4	168.1	-22.2	-108.5	0	0	0	0	110.1
176	L	25.5	Very low	25.8	Very low	146 Å²	146	132.2 Å²	132.2	76%	0.764	73%	0.728	S	S	*	*			trans	64.6	102.6	153.2	-68	157.2	0	0	0	116.3
177	T	25	Very low	26	Very low	103 Å²	103	132 Å²	132	63%	0.632	73%	0.732	S	S	*	*				72.5	154	80.9	64.3	0	0	0	0	116
178	H	27.3	Very low	26.6	Very low	178 Å²	178	133.3 Å²	133.3	82%	0.824	74%	0.739	S	S	*	*			trans	74.7	151.3	178.1	-62.8	80.3	0	0	0	114.7
179	S	24.9	Very low	26.8	Very low	98 Å²	98	135.2 Å²	135.2	69%	0.685	74%	0.744	S	S	*	*			cis	-161	173.2	-29	-166.7	0	0	0	0	109
180	M	23.3	Very low	27.1	Very low	161 Å²	161	137.5 Å²	137.5	79%	0.793	75%	0.749	S	S	*	*			trans	-33.6	144.3	172.9	-53.3	168.3	-177.2	0	0	115.8
181	N	26.1	Very low	27.2	Very low	143 Å²	143	141 Å²	141	77%	0.765	76%	0.758	S	S	*	*				179.2	129.9	113.8	-89.2	-23.4	0	0	0	116.9
182	T	26.6	Very low	27.2	Very low	116 Å²	116	139.8 Å²	139.8	71%	0.712	76%	0.76	S	S	*	*			trans	50	110.3	137.6	64.5	0	0	0	0	123.8
183	T	25.8	Very low	27.6	Very low	126 Å²	126	138.2 Å²	138.2	77%	0.773	76%	0.761	S	S	*	*				9.1	142.8	126.4	54.1	0	0	0	0	122.1
184	I	29.1	Very low	27.7	Very low	168 Å²	168	138.1 Å²	138.1	86%	0.862	77%	0.765	S	S	*	*				-167.6	160.2	118.6	-99.3	157.6	0	0	0	112.1
185	H	26.3	Very low	27.7	Very low	166 Å²	166	138.1 Å²	138.1	77%	0.769	77%	0.772	S	S	*	*			trans	-78.7	158.2	-176.6	-82.4	-116.2	0	0	0	115.5
186	T	29	Very low	28	Very low	124 Å²	124	142.5 Å²	142.5	76%	0.761	78%	0.779	S	S	*	*				174.3	106.8	109.3	36.8	0	0	0	0	113.4
187	T	28.4	Very low	28.2	Very low	126 Å²	126	142.4 Å²	142.4	77%	0.773	78%	0.779	S	S	*	*				81.5	137.5	103.9	55.8	0	0	0	0	118.9
188	P	36.2	Very low	28.3	Very low	120 Å²	120	146.7 Å²	146.7	78%	0.779	78%	0.783	S	S	*	*			trans	-112.6	179.7	-172.4	43.7	-36.3	0	0	0	115.2
189	H	31.3	Very low	28.4	Very low	185 Å²	185	144.6 Å²	144.6	86%	0.856	77%	0.774	S	S	*	*			trans	-152.6	154.6	160.6	-126.1	-93.6	0	0	0	115
190	N	27.9	Very low	28.7	Very low	147 Å²	147	145.9 Å²	145.9	79%	0.786	77%	0.773	S	S	*	*			trans	-91.6	168.6	-179.7	-67.9	-69.6	0	0	0	113.5
191	I	28.8	Very low	28.9	Very low	172 Å²	172	143.8 Å²	143.8	88%	0.882	77%	0.765	S	S	*	*				-167	161.9	127.3	-99.8	153.1	0	0	0	111.5
192	S	25.5	Very low	29	Very low	107 Å²	107	142.7 Å²	142.7	75%	0.748	76%	0.759	S	S	*	*			trans	-144.7	144.4	-168.7	171.5	0	0	0	0	113.7
193	S	33	Very low	29.2	Very low	109 Å²	109	143.4 Å²	143.4	76%	0.762	76%	0.759	S	S	*	*			trans	-170.2	131.7	155.3	39.5	0	0	0	0	109.4
194	N	27.8	Very low	29.3	Very low	142 Å²	142	142.5 Å²	142.5	76%	0.759	75%	0.749	S	S	*	*				72	117.2	56.1	-88.2	-40.4	0	0	0	115.6
195	I	29.2	Very low	29.3	Very low	173 Å²	173	140.3 Å²	140.3	89%	0.887	74%	0.739	S	S	*	*				-169.7	157	125.3	-97.8	155.4	0	0	0	110.5
196	K	32	Very low	29.4	Very low	183 Å²	183	138 Å²	138	80%	0.796	73%	0.732	S	S	*	*			trans	-107	176.1	-174.6	-59.1	174.2	178.2	176.2	0	111.7
197	L	29.2	Very low	29.3	Very low	143 Å²	143	138.7 Å²	138.7	75%	0.749	73%	0.732	S	S	*	*				174.2	128.4	121.3	-84.8	164.9	0	0	0	107.9
198	R	26.5	Very low	29.3	Very low	194 Å²	194	140.2 Å²	140.2	73%	0.732	74%	0.735	S	S	*	*				60.2	139.6	92	-62.2	-176.5	102.9	-169.2	-11.6	113.2
199	E	28.7	Very low	28.8	Very low	133 Å²	133	143.7 Å²	143.7	62%	0.621	74%	0.738	S	S	*	*			cis	-172.2	166.7	-1.1	-117.9	157.6	-164.4	0	0	107.5
200	D	31.7	Very low	28.8	Very low	125 Å²	125	143.8 Å²	143.8	67%	0.668	74%	0.739	S	S	*	*			cis	-162.2	165.6	1.5	-160.1	11.7	0	0	0	114.1
201	N	28.1	Very low	28.7	Very low	117 Å²	117	144.7 Å²	144.7	63%	0.626	74%	0.743	S	S	*	*			trans	49.3	131.1	145.2	-90.8	-41.8	0	0	0	128.8
202	N	28.3	Very low	28.6	Very low	120 Å²	120	141.9 Å²	141.9	64%	0.642	74%	0.736	S	S	*	*			trans	80.1	107.9	132.6	-80.3	-41.4	0	0	0	126.9
203	N	29.4	Very low	28.6	Very low	132 Å²	132	146.3 Å²	146.3	71%	0.706	74%	0.742	S	S	*	*				23.2	134.4	114.6	-60.2	-54.1	0	0	0	120.6
204	N	28.4	Very low	28	Very low	106 Å²	106	146.4 Å²	146.4	57%	0.567	74%	0.741	S	S	*	*				-176.9	167.3	75.2	-135.3	-37.4	0	0	0	115.5
205	N	29.9	Very low	28.2	Very low	122 Å²	122	149.3 Å²	149.3	65%	0.652	75%	0.75	S	S	*	*			trans	-71.8	162.5	-175.7	-63	-86.2	0	0	0	115.7
206	N	27.5	Very low	27.9	Very low	117 Å²	117	148.8 Å²	148.8	63%	0.626	75%	0.748	S	S	*	*				-158.1	151.1	120.3	-123.7	-48.6	0	0	0	115.4
207	N	27.5	Very low	27.6	Very low	140 Å²	140	148.3 Å²	148.3	75%	0.749	76%	0.755	S	S	*	*			trans	-77.8	158.1	-178.6	-68.2	-74.1	0	0	0	112.9
208	N	28.3	Very low	27.3	Very low	157 Å²	157	150.8 Å²	150.8	84%	0.84	76%	0.755	S	S	*	*			trans	-147.4	154.6	149	-138.2	-11.6	0	0	0	112.4
209	K	26.8	Very low	27.2	Very low	193 Å²	193	148.6 Å²	148.6	84%	0.839	75%	0.754	S	S	*	*			trans	-89.8	136.8	-172.3	-59	167	-178.4	170.2	0	111.7
210	Q	29.4	Very low	27	Very low	187 Å²	187	152.9 Å²	152.9	87%	0.874	77%	0.765	S	S	*	*			trans	-163.5	140.2	144.5	-112.4	164.4	28.5	0	0	112.5
211	L	26.6	Very low	26.8	Very low	167 Å²	167	150.9 Å²	150.9	87%	0.874	76%	0.761	S	S	*	*			trans	-108.1	144.3	153.6	-84.2	112.7	0	0	0	107.3
212	P	27.6	Very low	26.7	Very low	113 Å²	113	152.5 Å²	152.5	73%	0.734	77%	0.765	S	S	*	*				-123.6	141.6	122.8	31	-21.6	0	0	0	110.3
213	F	24	Very low	26.4	Very low	199 Å²	199	156.5 Å²	156.5	87%	0.873	77%	0.771	S	S	*	*				74	137.5	58.8	-118.5	-85	0	0	0	114.4
214	C	21.7	Very low	26.3	Very low	112 Å²	112	158.2 Å²	158.2	76%	0.757	78%	0.78	S	S	*	*			trans	-87.4	157.6	-162.6	-47.9	0	0	0	0	113.8
215	Q	30.8	Very low	26.1	Very low	202 Å²	202	161 Å²	161	94%	0.944	79%	0.79	S	S	*	*			trans	-148.6	145.9	147.5	-115.7	154.4	-19.8	0	0	112.1
216	L	22.8	Very low	26.1	Very low	162 Å²	162	162.6 Å²	162.6	85%	0.848	79%	0.793	S	S	*	*			trans	-90.7	162.3	175.5	-67.8	158.3	0	0	0	109.7
217	N	25.9	Very low	26.1	Very low	173 Å²	173	162.2 Å²	162.2	93%	0.925	80%	0.796	S	S	*	*			trans	-162.5	175.2	140.7	-101.5	-21.6	0	0	0	112.1
218	Y	23.3	Very low	26.1	Very low	196 Å²	196	161.6 Å²	161.6	77%	0.769	79%	0.792	S	S	*	*			trans	-140	151.8	-148	-156.2	-117.7	0	0	0	111.8
219	E	23.8	Very low	26	Very low	148 Å²	148	159.8 Å²	159.8	69%	0.692	78%	0.783	S	S	*	*			trans	39.7	137.5	160.5	-70.7	-178.7	155.8	0	0	122.9
220	Y	25.9	Very low	26.1	Very low	222 Å²	222	157.5 Å²	157.5	87%	0.871	78%	0.779	S	S	*	*				-156.6	168.5	122.4	-138	-114.8	0	0	0	115.6
221	S	27.7	Very low	26.1	Very low	83 Å²	83	153.1 Å²	153.1	58%	0.58	77%	0.769	S	S	*	*			trans	-38.4	150.6	-173.5	-59.3	0	0	0	0	118.5
222	Q	24.6	Very low	26.2	Very low	152 Å²	152	150.6 Å²	150.6	71%	0.71	77%	0.766	S	S	*	*			cis	82.6	127.2	39.5	-139.9	-160.1	98.6	0	0	115.4
223	R	22.9	Very low	26.3	Very low	203 Å²	203	150.7 Å²	150.7	77%	0.766	76%	0.764	S	S	*	*			trans	76.4	120.8	169.1	-53.7	-179.8	-165.3	-175.2	2	119.6
224	N	27.5	Very low	26.6	Very low	168 Å²	168	148.5 Å²	148.5	90%	0.898	76%	0.761	S	S	*	*				-152.6	157.5	106.8	-97.1	-19.2	0	0	0	109.6
225	E	22.9	Very low	26.9	Very low	166 Å²	166	151.3 Å²	151.3	78%	0.776	76%	0.763	S	S	*	*			trans	-120.8	179.8	-173.4	-60.6	-177.6	86.5	0	0	112.2
226	H	30.3	Very low	26.7	Very low	154 Å²	154	146.2 Å²	146.2	71%	0.713	75%	0.747	S	S	*	*			trans	101.7	115	152.6	-73.1	14.7	0	0	0	120.6
227	T	28.3	Very low	26.9	Very low	110 Å²	110	147.2 Å²	147.2	68%	0.675	75%	0.747	S	S	*	*			trans	78.3	116.8	132.6	56.5	0	0	0	0	122.2
228	N	27.2	Very low	26.9	Very low	127 Å²	127	145.5 Å²	145.5	68%	0.679	74%	0.738	S	S	*	*			trans	72.9	143.9	130.8	-64	45.1	0	0	0	118.2
229	D	27.2	Very low	27.1	Very low	119 Å²	119	141.4 Å²	141.4	64%	0.636	74%	0.735	S	S	*	*			cis	-159.8	163.2	-3	-114.2	-22	0	0	0	111.4
230	N	28.4	Very low	27.1	Very low	145 Å²	145	143.7 Å²	143.7	78%	0.775	74%	0.738	S	S	*	*			trans	62.1	143.4	160.9	-63.5	-41.6	0	0	0	118.6
231	S	29.4	Very low	27.1	Very low	94 Å²	94	140.9 Å²	140.9	66%	0.657	74%	0.739	S	S	*	*			cis	-173.7	137.3	-7.7	48	0	0	0	0	110.9
232	S	28.2	Very low	27	Very low	115 Å²	115	141.8 Å²	141.8	80%	0.804	74%	0.736	S	S	*	*			trans	68.8	148.4	158.3	89.7	0	0	0	0	117.5
233	V	30.6	Very low	27	Very low	115 Å²	115	142.7 Å²	142.7	70%	0.697	74%	0.735	S	S	*	*			cis	-138	132.4	-0.9	177	0	0	0	0	110.2
234	N	29.4	Very low	27.2	Very low	153 Å²	153	139.6 Å²	139.6	82%	0.818	73%	0.73	S	S	*	*			trans	48.1	100.2	157.6	-57.7	-16	0	0	0	121.9
235	H	27.4	Very low	27	Very low	171 Å²	171	138.8 Å²	138.8	79%	0.792	72%	0.719	S	S	*	*			trans	-33.7	170.6	140.6	-97.2	-102.4	0	0	0	117.1
236	P	28.2	Very low	27.2	Very low	94 Å²	94	141.8 Å²	141.8	61%	0.61	72%	0.723	S	S	*	*			cis	-132.6	133.6	10.1	25.4	-2.2	0	0	0	117.2	L238	P236-L238 HydrophobicContact CB-CD1 4.26Å; P236-L238 HydrophobicContact CB-CG 4.34Å; P236-L238 HydrophobicContact CG-CD1 4.39Å
237	H	26.2	Very low	27	Very low	184 Å²	184	143.4 Å²	143.4	85%	0.852	73%	0.728	S	S	*	*				-64.7	137.7	129.6	-93.8	-106.2	0	0	0	108.6
238	L	26.6	Very low	26.9	Very low	137 Å²	137	149.3 Å²	149.3	72%	0.717	74%	0.738	S	S	*	*			trans	-136.6	110.5	173.7	-118.5	163.3	0	0	0	108.4	P236	P236-L238 HydrophobicContact CB-CD1 4.26Å; P236-L238 HydrophobicContact CB-CG 4.34Å; P236-L238 HydrophobicContact CG-CD1 4.39Å
239	P	26.3	Very low	26.8	Very low	110 Å²	110	148.2 Å²	148.2	71%	0.714	74%	0.74	S	S	*	*			trans	-76.5	156.1	179.5	32.9	-35.5	0	0	0	110.6
240	Y	24.8	Very low	26.8	Very low	195 Å²	195	152.3 Å²	152.3	77%	0.765	75%	0.748	S	S	*	*			trans	-154.1	101.2	160.1	-121.4	-63.9	0	0	0	113.5	L242	Y240-L242 HydrophobicContact CD1-CB 3.92Å; Y240-L242 HydrophobicContact CD1-CD1 3.64Å; Y240-L242 HydrophobicContact CD1-CG 3.56Å; Y240-L242 HydrophobicContact CE1-CB 4.48Å; Y240-L242 HydrophobicContact CE1-CD1 3.51Å; Y240-L242 HydrophobicContact CE1-CG 3.63Å; Y240-L242 PolarHBondContact O-N 2.94Å
241	D	24.6	Very low	26.7	Very low	164 Å²	164	156.1 Å²	156.1	88%	0.877	75%	0.752	S	S	*	*			trans	-69.7	101.7	152.9	-114.7	-49	0	0	0	108.2
242	L	27	Very low	26.7	Very low	101 Å²	101	160.2 Å²	160.2	53%	0.529	76%	0.758	S	S	.	*			trans	-130.1	90.4	168	-107.2	178.5	0	0	0	112.4	Y240 M244	Y240-L242 HydrophobicContact CD1-CB 3.92Å; Y240-L242 HydrophobicContact CD1-CD1 3.64Å; Y240-L242 HydrophobicContact CD1-CG 3.56Å; Y240-L242 HydrophobicContact CE1-CB 4.48Å; Y240-L242 HydrophobicContact CE1-CD1 3.51Å; Y240-L242 HydrophobicContact CE1-CG 3.63Å; Y240-L242 PolarHBondContact O-N 2.94Å; L242-M244 VanDerWaalsContact C-N 3.26Å; L242-M244 HydrophobicContact CD1-CE 4.33Å; L242-M244 HydrophobicContact CD2-CE 4.08Å; L242-M244 PolarHBondContact O-N 3.5Å
243	Y	24.4	Very low	26.5	Very low	172 Å²	172	161.9 Å²	161.9	68%	0.675	76%	0.758	S	S	*	*			trans	-47.1	79.6	160.7	-179.7	-101.8	0	0	0	112.7	K245	Y243-K245 HydrophobicContact CD1-CG 4.38Å; Y243-K245 HydrophobicContact CE1-CD 3.58Å; Y243-K245 HydrophobicContact CE1-CG 3.74Å; Y243-K245 PolarHBondContact O-N 2.89Å; Y243-K245 WeakPolarHBondContact OH-CE 3.45Å; Y243-K245 PolarHBondContact OH-NZ 3.08Å
244	M	25.5	Very low	26.4	Very low	137 Å²	137	162.3 Å²	162.3	68%	0.675	76%	0.76	S	S	*	*			trans	-89.7	82.1	179.9	-85.4	-73.3	159.8	0	0	111.6	L242 R246	L242-M244 VanDerWaalsContact C-N 3.26Å; L242-M244 HydrophobicContact CD1-CE 4.33Å; L242-M244 HydrophobicContact CD2-CE 4.08Å; L242-M244 PolarHBondContact O-N 3.5Å; M244-R246 PolarHBondContact O-N 3Å
245	K	25.2	Very low	26.2	Very low	152 Å²	152	162.7 Å²	162.7	66%	0.661	76%	0.762	S	S	*	*			trans	-54.1	82.6	162.1	-92.9	176.8	166.1	145.4	0	110.2	Y243 K247	Y243-K245 HydrophobicContact CD1-CG 4.38Å; Y243-K245 HydrophobicContact CE1-CD 3.58Å; Y243-K245 HydrophobicContact CE1-CG 3.74Å; Y243-K245 PolarHBondContact O-N 2.89Å; Y243-K245 WeakPolarHBondContact OH-CE 3.45Å; Y243-K245 PolarHBondContact OH-NZ 3.08Å; K245-K247 VanDerWaalsContact C-N 3.25Å; K245-K247 PolarHBondContact O-N 3.38Å
246	R	26.3	Very low	26.2	Very low	228 Å²	228	159.9 Å²	159.9	86%	0.86	76%	0.756	S	S	*	*			trans	-74.9	77.1	-177.8	-166.5	172.2	-69.2	-173	-0.9	110.9	M244 R248	M244-R246 PolarHBondContact O-N 3Å; R246-R248 PolarHBondContact O-N 3.32Å
247	K	25.7	Very low	26.2	Very low	188 Å²	188	161.7 Å²	161.7	82%	0.817	77%	0.766	S	S	*	*			trans	-45	119.6	173.8	-70.2	-178.7	176.7	-179.9	0	109.8	K245 S249	K245-K247 VanDerWaalsContact C-N 3.25Å; K245-K247 PolarHBondContact O-N 3.38Å; K247-S249 PolarHBondContact O-N 3.19Å
248	R	25.6	Very low	26.1	Very low	235 Å²	235	156.5 Å²	156.5	89%	0.887	75%	0.754	S	S	*	*			trans	-72.2	79.9	164.4	-89	-178.3	164.3	166.2	-4.7	108.7	R246 Y250	R246-R248 PolarHBondContact O-N 3.32Å; R248-Y250 PolarHBondContact O-N 3.38Å
249	S	26.4	Very low	26.1	Very low	103 Å²	103	156.5 Å²	156.5	72%	0.72	76%	0.755	S	S	*	*			trans	-68.1	97.2	170.1	-176	0	0	0	0	109.1	K247 R251	K247-S249 PolarHBondContact O-N 3.19Å; S249-R251 PolarHBondContact O-N 3.38Å
250	Y	26.2	Very low	26	Very low	206 Å²	206	157.8 Å²	157.8	81%	0.808	76%	0.756	S	S	*	*			trans	-70.7	104.4	158.5	-97.6	-94.6	0	0	0	107.5	R248 K252	R248-Y250 PolarHBondContact O-N 3.38Å; Y250-K252 PolarHBondContact O-N 3.31Å
251	R	26.7	Very low	26.1	Very low	225 Å²	225	155 Å²	155	85%	0.849	76%	0.755	S	S	*	*			trans	-68.2	85.4	160.9	-88	-174.1	168	171.8	-4.6	108.9	S249	S249-R251 PolarHBondContact O-N 3.38Å
252	K	29.3	Very low	26.2	Very low	180 Å²	180	154.5 Å²	154.5	78%	0.783	75%	0.747	S	S	*	*			trans	-76.7	114	152.4	-89.5	-172.3	169.9	-173.5	0	107	Y250 T254	Y250-K252 PolarHBondContact O-N 3.31Å; K252-T254 PolarHBondContact O-N 3.01Å
253	N	24.3	Very low	26.2	Very low	150 Å²	150	156.2 Å²	156.2	80%	0.802	76%	0.755	S	S	*	*			trans	-82.7	99.5	164.4	-76.2	14	0	0	0	108.4
254	T	28.4	Very low	26.2	Very low	123 Å²	123	153 Å²	153	76%	0.755	76%	0.758	S	S	*	*			trans	-150.1	144.2	159	32.5	0	0	0	0	107.8	K252	K252-T254 PolarHBondContact O-N 3.01Å
255	L	25.8	Very low	26.2	Very low	162 Å²	162	153.9 Å²	153.9	85%	0.848	77%	0.765	S	S	*	*			trans	-87.2	154.1	-169.2	-109.4	69.4	0	0	0	113.4
256	V	25.9	Very low	26.1	Very low	111 Å²	111	149.7 Å²	149.7	67%	0.673	76%	0.755	S	S	*	*			trans	71.9	124.9	142.6	170.6	0	0	0	0	119.1
257	T	28.2	Very low	26	Very low	132 Å²	132	145.5 Å²	145.5	81%	0.81	75%	0.75	S	S	*	*			trans	56	153.4	162.5	52.7	0	0	0	0	119.6
258	A	24.1	Very low	26.1	Very low	75 Å²	75	144.7 Å²	144.7	62%	0.62	75%	0.754	S	S	*	*			cis	-175.7	157.6	-30.3	0	0	0	0	0	106.2
259	N	26.8	Very low	25.9	Very low	137 Å²	137	142 Å²	142	73%	0.733	75%	0.745	S	S	*	*			trans	63.3	101.2	166.9	-55.4	12.5	0	0	0	117.6
260	D	24.5	Very low	25.8	Very low	137 Å²	137	146.9 Å²	146.9	73%	0.733	75%	0.748	S	S	*	*				72.3	137.2	119.3	-45.9	-32.5	0	0	0	123.6
261	D	26.5	Very low	25.7	Very low	138 Å²	138	144.3 Å²	144.3	74%	0.738	74%	0.743	S	S	*	*			trans	83	130.3	142.5	-76.3	-5.2	0	0	0	125.9
262	H	27.8	Very low	25.7	Very low	153 Å²	153	143.9 Å²	143.9	71%	0.708	74%	0.742	S	S	*	*			trans	70.1	130.5	144.6	-81.6	-67.2	0	0	0	123.6
263	I	26.8	Very low	25.5	Very low	136 Å²	136	144.7 Å²	144.7	70%	0.697	75%	0.745	S	S	*	*			trans	73	77.2	139.2	-58.6	165.2	0	0	0	118
264	S	24.7	Very low	25.5	Very low	106 Å²	106	145.1 Å²	145.1	74%	0.741	74%	0.742	S	S	*	*				72.1	175	116.3	89.1	0	0	0	0	122.3
265	N	25.3	Very low	25.5	Very low	155 Å²	155	147.6 Å²	147.6	83%	0.829	74%	0.743	S	S	*	*			trans	77.6	161.3	165	-139.8	-7.6	0	0	0	117.8
266	S	23.3	Very low	25.5	Very low	63 Å²	63	146 Å²	146	44%	0.441	74%	0.741	S	S	.	*			trans	-131.3	167.1	-156.8	58.4	0	0	0	0	112.5
267	N	24.1	Very low	25.4	Very low	141 Å²	141	146.4 Å²	146.4	75%	0.754	74%	0.739	S	S	*	*			trans	79.3	112.2	179.1	-43.1	-41.1	0	0	0	114.1
268	N	27.8	Very low	25.4	Very low	171 Å²	171	145.9 Å²	145.9	91%	0.914	74%	0.735	S	S	*	*				-156.9	118.8	115.4	-93.4	-27.8	0	0	0	109.3
269	Y	22.3	Very low	25.5	Very low	177 Å²	177	148.9 Å²	148.9	69%	0.694	74%	0.741	S	S	*	*			trans	-115.9	147.4	171.8	170.1	-119.9	0	0	0	106.2
270	W	22.3	Very low	25.7	Very low	207 Å²	207	148.7 Å²	148.7	78%	0.784	75%	0.745	S	S	*	*			trans	72.1	107.5	-164.6	-44.2	108.4	0	0	0	115.4
271	E	26	Very low	25.8	Very low	151 Å²	151	148.3 Å²	148.3	71%	0.706	74%	0.743	S	S	*	*				-164.4	166.4	122.9	-120	-167.3	-162.3	0	0	113.3
272	R	25.6	Very low	25.9	Very low	216 Å²	216	151.7 Å²	151.7	82%	0.815	75%	0.751	S	S	*	*			trans	53.1	112.9	166.5	-75.9	165.6	-131.8	-125.1	-7.9	120.2
273	K	24.5	Very low	26	Very low	197 Å²	197	153.8 Å²	153.8	86%	0.857	76%	0.758	S	S	*	*			trans	-77.1	172.3	155.5	-60.6	169.2	177.2	172.4	0	111.2
274	Q	26	Very low	26.1	Very low	159 Å²	159	156.2 Å²	156.2	74%	0.743	77%	0.769	S	S	*	*			trans	120.7	144.4	138.7	-57.1	-152.6	79.4	0	0	117.1
275	F	26.5	Very low	26.2	Very low	176 Å²	176	156 Å²	156	77%	0.772	77%	0.773	S	S	*	*			trans	62.4	148	167.8	-65.3	-71.7	0	0	0	118.2
276	T	27.5	Very low	26.4	Very low	129 Å²	129	156.4 Å²	156.4	79%	0.791	77%	0.769	S	S	*	*			cis	-150.4	-178.4	-35.2	-5.7	0	0	0	0	108.9
277	N	23.7	Very low	26.6	Very low	118 Å²	118	162.1 Å²	162.1	63%	0.631	79%	0.787	S	S	*	*			trans	-125.7	111.7	-168.3	179.7	12	0	0	0	112.6
278	V	27.1	Very low	26.9	Very low	122 Å²	122	162.4 Å²	162.4	74%	0.739	79%	0.787	S	S	*	*			trans	-142.1	148.9	175.7	-175.3	0	0	0	0	109.9
279	D	27.4	Very low	27	Very low	138 Å²	138	163.5 Å²	163.5	74%	0.738	78%	0.783	S	S	*	*			trans	51.9	110.7	170.7	-72.4	-31	0	0	0	121.3
280	T	30.2	Very low	27.3	Very low	133 Å²	133	159.9 Å²	159.9	82%	0.816	78%	0.784	S	S	*	*				175.8	95.7	120.9	25.7	0	0	0	0	109.9
281	N	25.7	Very low	27.7	Very low	129 Å²	129	157.7 Å²	157.7	69%	0.69	79%	0.788	S	S	*	*			trans	-156.2	52.8	-175.1	-153.3	93.7	0	0	0	113.4	R505	N281-R505 PolarHBondContact OD1-NH2 3.25Å
282	K	30	Very low	27.8	Very low	208 Å²	208	159.9 Å²	159.9	90%	0.904	80%	0.795	S	S	*	*			trans	-139.7	24.5	-163.8	-141.2	176.2	-173	177.8	0	116.7
283	K	29.2	Very low	28.1	Very low	197 Å²	197	161 Å²	161	86%	0.857	80%	0.799	S	S	*	*			trans	-142.6	157.6	173.5	-70.9	-166.9	176.2	-176.4	0	112.3
284	M	27.9	Very low	28.4	Very low	188 Å²	188	156.7 Å²	156.7	93%	0.926	79%	0.793	S	S	*	*			trans	62.4	83.1	-176.7	-81.3	74	174.2	0	0	116.3
285	A	27.7	Very low	28.6	Very low	100 Å²	100	156.4 Å²	156.4	83%	0.826	80%	0.797	S	S	*	*			trans	-134.7	115.1	151.1	0	0	0	0	0	109.1
286	H	28.9	Very low	28.9	Very low	164 Å²	164	156.2 Å²	156.2	76%	0.759	80%	0.796	S	S	*	*			trans	-164.5	166.7	157.6	-150.4	-104	0	0	0	111.8
287	F	28.4	Very low	28.9	Very low	184 Å²	184	156.2 Å²	156.2	81%	0.807	79%	0.79	S	S	*	*			trans	75.2	127.5	178.9	-69.6	-80.1	0	0	0	117.9
288	I	29.6	Very low	29.1	Very low	146 Å²	146	156.7 Å²	156.7	75%	0.749	79%	0.789	S	S	*	*			trans	-159.2	150.6	-159.2	-84.4	176.2	0	0	0	108.4
289	K	30.3	Very low	29.3	Very low	195 Å²	195	159 Å²	159	85%	0.848	79%	0.792	S	S	*	*			trans	67.4	154.4	176.4	-66.4	155.9	-174.6	175.8	0	114.3
290	S	29.5	Very low	29.2	Very low	101 Å²	101	157.6 Å²	157.6	71%	0.706	79%	0.792	S	S	*	*			cis	-128.6	168.7	4.7	-51.6	0	0	0	0	109.5
291	N	29.2	Very low	29.4	Very low	161 Å²	161	156 Å²	156	86%	0.861	78%	0.784	S	S	*	*			cis	-153.6	170.7	37.1	-105.6	-33.6	0	0	0	112.7
292	K	29.8	Very low	29.5	Very low	197 Å²	197	156 Å²	156	86%	0.857	79%	0.789	S	S	*	*			trans	-132	153.6	173.7	-79.3	-175.3	173.9	-176.2	0	111.3
293	R	30.5	Very low	29.6	Very low	240 Å²	240	151.7 Å²	151.7	91%	0.906	78%	0.78	S	S	*	*			trans	142.3	141.6	153.8	-84	174.1	166.5	174.5	-4.5	109.7
294	S	32.3	Very low	29.6	Very low	105 Å²	105	151 Å²	151	73%	0.734	78%	0.777	S	S	*	*			cis	-156.1	164.9	-5.9	-90.2	0	0	0	0	111.3
295	N	29.2	Very low	29.6	Very low	154 Å²	154	148.6 Å²	148.6	82%	0.824	77%	0.773	S	S	*	*			trans	-78.6	164.4	172.1	-56	-18.7	0	0	0	111.2
296	K	31.8	Very low	29.8	Very low	172 Å²	172	148.5 Å²	148.5	75%	0.748	77%	0.772	S	S	*	*				-165.9	147.2	74.7	-106.4	-160.3	164.6	-159.9	0	110.2
297	L	27.5	Very low	29.8	Very low	128 Å²	128	148.7 Å²	148.7	67%	0.67	78%	0.778	S	S	*	*				56.6	133	94.6	-88.1	78	0	0	0	113.4
298	E	29	Very low	30.1	Very low	129 Å²	129	145 Å²	145	60%	0.603	77%	0.772	S	S	*	*			cis	-162.7	161.7	32.7	-112.3	153.5	-116.5	0	0	116
299	Q	31.5	Very low	30	Very low	171 Å²	171	143.6 Å²	143.6	80%	0.799	78%	0.775	S	S	*	*			trans	68.4	155.9	145	-66.6	179.1	73.2	0	0	124.7
300	S	25.1	Very low	30.1	Very low	107 Å²	107	140 Å²	140	75%	0.748	78%	0.775	S	S	*	*			trans	-152.3	-169.3	175.9	63.9	0	0	0	0	107.2
301	P	34.3	Very low	29.9	Very low	99 Å²	99	143.2 Å²	143.2	64%	0.643	78%	0.783	S	S	*	*			cis	-147.3	-163.6	12.1	44.3	-22.1	0	0	0	117.5
302	T	27.4	Very low	30	Very low	130 Å²	130	142 Å²	142	80%	0.798	78%	0.781	S	S	*	*			trans	71.8	156	162.7	57.7	0	0	0	0	118.3
303	V	32	Very low	29.9	Very low	118 Å²	118	138.7 Å²	138.7	72%	0.715	78%	0.777	S	S	*	*			cis	-152.7	134.3	42	167	0	0	0	0	115.4
304	K	29.6	Very low	29.7	Very low	181 Å²	181	132.7 Å²	132.7	79%	0.787	77%	0.772	S	S	*	*			trans	32.8	143.4	146.2	-54.7	173.2	-175.3	175.4	0	126.3
305	T	27.4	Very low	29.5	Very low	139 Å²	139	133.8 Å²	133.8	85%	0.853	77%	0.774	S	S	*	*			trans	70	150.8	144.4	41	0	0	0	0	120.3
306	A	32.2	Very low	29.3	Very low	97 Å²	97	131.8 Å²	131.8	80%	0.802	77%	0.772	S	S	*	*			cis	-134.3	-159.9	11	0	0	0	0	0	114.4
307	L	29.2	Very low	29.1	Very low	169 Å²	169	129.3 Å²	129.3	89%	0.885	77%	0.772	S	S	*	*			trans	-118.3	-167	-162	-135.4	77.6	0	0	0	113.5
308	P	34.7	Very low	29.5	Very low	106 Å²	106	127.6 Å²	127.6	69%	0.688	77%	0.766	S	S	*	*				-126.2	176.6	-125.5	43	-24.7	0	0	0	116.3
309	S	26.7	Very low	29.8	Very low	116 Å²	116	127.8 Å²	127.8	81%	0.811	77%	0.771	S	S	*	*			trans	172.2	136	132.6	43.3	0	0	0	0	114
310	S	32.3	Very low	30.1	Very low	121 Å²	121	128 Å²	128	85%	0.846	77%	0.772	S	S	*	*			trans	169.7	156.6	138.4	40.7	0	0	0	0	109.7
311	I	26.6	Very low	30.9	Very low	168 Å²	168	126.9 Å²	126.9	86%	0.862	76%	0.757	S	S	*	*			trans	-108.2	123.3	-170.8	-62.7	165.5	0	0	0	109.4
312	V	31.2	Very low	31	Very low	135 Å²	135	130.4 Å²	130.4	82%	0.818	77%	0.765	S	S	*	*			trans	-134.9	136.6	165.7	-174.5	0	0	0	0	109.3
313	T	27.1	Very low	31.6	Very low	127 Å²	127	130 Å²	130	78%	0.779	77%	0.766	S	S	*	*			trans	-68.3	130.2	-170.5	-36.9	0	0	0	0	112.1	V315	T313-V315 PolarHBondContact O-N 2.85Å; T313-V315 VanDerWaalsContact O-N 3.07Å
314	S	25.9	Very low	31.6	Very low	115 Å²	115	128.3 Å²	128.3	80%	0.804	76%	0.759	S	S	*	*			trans	-75.2	97.6	-177	59.4	0	0	0	0	112.6
315	V	28.1	Very low	31.9	Very low	127 Å²	127	125 Å²	125	77%	0.77	76%	0.756	S	S	*	*			trans	-71.7	135.6	158.6	179	0	0	0	0	108.5	T313 T317	T313-V315 PolarHBondContact O-N 2.85Å; T313-V315 VanDerWaalsContact O-N 3.07Å; V315-T317 PolarHBondContact O-N 3.24Å
316	S	25	Very low	32.3	Very low	113 Å²	113	125.1 Å²	125.1	79%	0.79	76%	0.759	S	S	*	*			trans	-68.7	88.8	-179.2	-59.5	0	0	0	0	111.8	V318	S316-V318 PolarHBondContact O-N 3.35Å
317	T	29.2	Very low	32.8	Very low	120 Å²	120	124.1 Å²	124.1	74%	0.736	76%	0.759	S	S	*	*			trans	-65.6	105.8	175.1	41.3	0	0	0	0	110.9	V315 N319	V315-T317 PolarHBondContact O-N 3.24Å; T317-N319 PolarHBondContact O-N 3.07Å
318	V	34.3	Very low	33.4	Very low	92 Å²	92	124.9 Å²	124.9	56%	0.558	76%	0.755	S	S	*	*			trans	-70.2	109.2	168.2	178.8	0	0	0	0	107.4	S316 H320 V339	S316-V318 PolarHBondContact O-N 3.35Å; V318-H320 PolarHBondContact O-CD2 3.05Å; V318-H320 VanDerWaalsContact O-CD2 3.31Å; V318-H320 PolarHBondContact O-N 3.37Å; V318-V339 HydrophobicContact CG1-CG1 4.4Å; V318-V339 HydrophobicContact CG1-CG2 4.41Å
319	N	36.3	Very low	33.7	Very low	132 Å²	132	127 Å²	127	71%	0.706	76%	0.756	S	S	*	*			trans	-63	103.6	178.3	-73.8	-16.2	0	0	0	110.2	T317 I321	T317-N319 PolarHBondContact O-N 3.07Å; N319-I321 PolarHBondContact O-N 2.89Å; N319-I321 VanDerWaalsContact O-N 3.07Å
320	H	37.3	Very low	34.9	Very low	175 Å²	175	126.8 Å²	126.8	81%	0.81	75%	0.751	S	S	*	*			trans	-65.6	104.7	167.7	-74	-98.3	0	0	0	108.7	V318 E322	V318-H320 PolarHBondContact O-CD2 3.05Å; V318-H320 VanDerWaalsContact O-CD2 3.31Å; V318-H320 PolarHBondContact O-N 3.37Å; H320-E322 PolarHBondContact O-N 3.32Å
321	I	42.4	Very low	36	Very low	84 Å²	84	124.6 Å²	124.6	43%	0.431	73%	0.733	S	S	.	*			trans	-75.8	106.3	174.3	-61.5	173.8	0	0	0	107.7	N319 P342	N319-I321 PolarHBondContact O-N 2.89Å; N319-I321 VanDerWaalsContact O-N 3.07Å; I321-P342 HydrophobicContact CD1-CG 3.85Å
322	E	35.8	Very low	38	Very low	174 Å²	174	117.7 Å²	117.7	81%	0.813	70%	0.699	S	S	*	*			trans	-58.2	147.9	173.8	-65	-174	122.9	0	0	111.5	H320 S324	H320-E322 PolarHBondContact O-N 3.32Å; E322-S324 PolarHBondContact O-N 3.33Å
323	C	39.3	Very low	40.1	Very low	122 Å²	122	117.5 Å²	117.5	82%	0.824	68%	0.683	S	S	*	*			trans	-59.3	101.6	-174.1	-71.9	0	0	0	0	112.1
324	S	34	Very low	42.6	Very low	82 Å²	82	111.5 Å²	111.5	57%	0.573	65%	0.646	S	S	*	*			trans	-64.5	147.5	177.7	-71.4	0	0	0	0	112.1	E322	E322-S324 PolarHBondContact O-N 3.33Å
325	P	36	Very low	44.6	Very low	110 Å²	110	110.3 Å²	110.3	71%	0.714	63%	0.631	S	S	*	*			trans	-56.4	152.1	-175.5	-28.3	35.8	0	0	0	114.8	G327	P325-G327 PolarHBondContact O-N 3.44Å; P325-G327 VanDerWaalsContact O-N 3.1Å
326	P	35.1	Very low	46.9	Very low	142 Å²	142	108.5 Å²	108.5	92%	0.922	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	113.4	-174.4	25.5	-34.6	0	0	0	111.7
327	G	41.6	Very low	49.7	Very low	77 Å²	77	105.7 Å²	105.7	79%	0.794	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	150.1	-8	175.3	0	0	0	0	0	116.7	P325	P325-G327 PolarHBondContact O-N 3.44Å; P325-G327 VanDerWaalsContact O-N 3.1Å
328	K	42.2	Very low	52.1	Low	184 Å²	184	104.9 Å²	104.9	80%	0.8	58%	0.581	S	S	*	*	S	Bend	trans	-125.5	91.6	-174.9	-68.5	179.3	-178.8	173.4	0	113.4
329	Q	41.9	Very low	54.1	Low	151 Å²	151	102.6 Å²	102.6	71%	0.706	57%	0.567	S	S	*	*			trans	62.6	147.4	173.4	-65	-176.3	-54	0	0	116.4	V331	Q329-V331 PolarHBondContact O-N 2.95Å; Q329-V331 VanDerWaalsContact O-N 3.17Å
330	P	51.8	Low	55.9	Low	111 Å²	111	99.6 Å²	99.6	72%	0.721	55%	0.551	S	S	*	*			trans	-76	103.5	175.9	30.4	-32.6	0	0	0	109.9	T332	P330-T332 WeakPolarHBondContact O-CG2 3.45Å; P330-T332 PolarHBondContact O-N 3.31Å
331	V	56.1	Low	57.6	Low	75 Å²	75	92.5 Å²	92.5	46%	0.455	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-60.4	120.9	176.8	-164.3	0	0	0	0	109.5	Q329 L340 F341	Q329-V331 PolarHBondContact O-N 2.95Å; Q329-V331 VanDerWaalsContact O-N 3.17Å; V331-L340 HydrophobicContact CG1-CB 3.78Å; V331-L340 HydrophobicContact CG1-CD2 4.21Å; V331-L340 HydrophobicContact CG1-CG 4.46Å; V331-F341 CarbonylContact C-O 3.55Å; V331-F341 WeakPolarHBondContact CA-O 3.33Å; V331-F341 VanDerWaalsContact CG1-O 3.31Å; V331-F341 WeakPolarHBondContact CG1-O 3.35Å
332	T	67.4	Low	58.5	Low	24 Å²	24	90.8 Å²	90.8	15%	0.147	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	117.3	-174.4	57.3	0	0	0	0	111	P330 F341 L344	P330-T332 WeakPolarHBondContact O-CG2 3.45Å; P330-T332 PolarHBondContact O-N 3.31Å; T332-F341 PolarHBondContact N-O 2.75Å; T332-F341 WeakPolarHBondContact O-CB 2.92Å; T332-F341 PolarHBondContact O-N 3Å; T332-L344 HydrophobicContact CG2-CD2 3.78Å; T332-L344 HydrophobicContact CG2-CG 3.95Å
333	R	75.6	Confident	59.9	Low	131 Å²	131	84.1 Å²	84.1	49%	0.494	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	151.5	177.7	79.6	-178.6	-169.8	123.2	3.9	112.5	H338 V339 L340 L347	R333-H338 PolarHBondContact NH1-CE1 3.41Å; R333-H338 VanDerWaalsContact NH1-CE1 3.28Å; R333-H338 PolarHBondContact NH1-ND1 2.88Å; R333-V339 CarbonylContact C-O 3.53Å; R333-V339 WeakPolarHBondContact CA-O 3.24Å; R333-L340 HydrophobicContact CB-CD2 3.76Å; R333-L347 WeakPolarHBondContact O-CD2 3.41Å
334	C	78.6	Confident	61.3	Low	0 Å²	0	80.7 Å²	80.7	0%	0	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-74.6	144.5	164.4	-173.9	0	0	0	0	111.8	H336 H338 V339 F341 L347 H350 H355	C334-H336 PolarHBondContact SG-N 3.13Å; C334-H338 WeakPolarHBondContact O-CA 3.28Å; C334-H338 PolarHBondContact O-N 3.41Å; C334-H338 PolarHBondContact O-ND1 3.22Å; C334-V339 PolarHBondContact N-O 3.47Å; C334-F341 HydrophobicContact CB-CE2 4.27Å; C334-L347 HydrophobicContact CB-CD1 3.76Å; C334-H350 WeakPolarHBondContact CB-NE2 3.44Å; C334-H350 PolarHBondContact SG-NE2 3.01Å; C334-H355 PolarHBondContact SG-CD2 3.49Å; C334-H355 PolarHBondContact SG-NE2 3.1Å
335	N	69.6	Low	62.6	Low	91 Å²	91	83.3 Å²	83.3	49%	0.487	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-13.8	177.7	-79	-2.9	0	0	0	114.4	H338	N335-H338 PolarHBondContact O-CE1 3Å; N335-H338 VanDerWaalsContact O-CE1 3.26Å
336	H	76.1	Confident	64.1	Low	89 Å²	89	81.8 Å²	81.8	41%	0.412	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-41.5	180	-56.5	-61.5	0	0	0	113.8	C334 F351 H355 I358	C334-H336 PolarHBondContact SG-N 3.13Å; H336-F351 AromaticContact CD2-CE2 3.32Å; H336-F351 WeakPolarHBondContact CD2-CE2 3.34Å; H336-F351 AromaticContact CD2-CZ 3.66Å; H336-F351 AromaticContact NE2-CE2 3.44Å; H336-F351 WeakPolarHBondContact NE2-CE2 3.33Å; H336-F351 AromaticContact NE2-CZ 3.39Å; H336-F351 WeakPolarHBondContact NE2-CZ 3.38Å; H336-H355 AromaticContact CD2-CD2 3.87Å; H336-I358 HydrophobicContact CB-CD1 4.11Å
337	C	83.7	Confident	65.9	Low	54 Å²	54	76.1 Å²	76.1	37%	0.365	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-1.3	178	67.6	0	0	0	0	114.8	V339 H350 H355	C337-V339 HydrophobicContact CB-CG2 4.44Å; C337-V339 PolarHBondContact O-N 2.83Å; C337-H350 PolarHBondContact SG-CE1 2.95Å; C337-H350 PolarHBondContact SG-NE2 3.35Å; C337-H355 PolarHBondContact SG-NE2 3.08Å; C337-H355 VanDerWaalsContact SG-NE2 3.41Å
338	H	79.2	Confident	67.1	Low	103 Å²	103	73.9 Å²	73.9	48%	0.477	37%	0.371	S	S	.	.			trans	60.9	3.8	177	-57.4	-19.8	0	0	0	117.9	R333 C334 N335	R333-H338 PolarHBondContact NH1-CE1 3.41Å; R333-H338 VanDerWaalsContact NH1-CE1 3.28Å; R333-H338 PolarHBondContact NH1-ND1 2.88Å; C334-H338 WeakPolarHBondContact O-CA 3.28Å; C334-H338 PolarHBondContact O-N 3.41Å; C334-H338 PolarHBondContact O-ND1 3.22Å; N335-H338 PolarHBondContact O-CE1 3Å; N335-H338 VanDerWaalsContact O-CE1 3.26Å
339	V	75.8	Confident	68.4	Low	43 Å²	43	67.6 Å²	67.6	26%	0.261	35%	0.346	S	S	.	.			trans	-53.6	139.5	170.1	-178.4	0	0	0	0	111	V318 R333 C334 C337 F341	V318-V339 HydrophobicContact CG1-CG1 4.4Å; V318-V339 HydrophobicContact CG1-CG2 4.41Å; R333-V339 CarbonylContact C-O 3.53Å; R333-V339 WeakPolarHBondContact CA-O 3.24Å; C334-V339 PolarHBondContact N-O 3.47Å; C337-V339 HydrophobicContact CB-CG2 4.44Å; C337-V339 PolarHBondContact O-N 2.83Å; V339-F341 HydrophobicContact CB-CE2 3.79Å; V339-F341 HydrophobicContact CB-CZ 3.83Å; V339-F341 HydrophobicContact CG1-CE1 4.05Å; V339-F341 HydrophobicContact CG1-CE2 3.72Å; V339-F341 HydrophobicContact CG1-CZ 3.38Å; V339-F341 WeakPolarHBondContact O-CD2 3.44Å; V339-F341 VanDerWaalsContact O-CE2 3.28Å; V339-F341 WeakPolarHBondContact O-CE2 3.44Å
340	L	75	Confident	70.1	Confident	69 Å²	69	61.3 Å²	61.3	36%	0.361	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	133.9	-176.2	-69.5	175.6	0	0	0	111.6	V331 R333	V331-L340 HydrophobicContact CG1-CB 3.78Å; V331-L340 HydrophobicContact CG1-CD2 4.21Å; V331-L340 HydrophobicContact CG1-CG 4.46Å; R333-L340 HydrophobicContact CB-CD2 3.76Å
341	F	73.4	Confident	71.2	Confident	27 Å²	27	57.9 Å²	57.9	12%	0.118	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	134.1	-179.3	-63	-79.4	0	0	0	112.1	V331 T332 C334 V339 S343 E346 L347 H350	V331-F341 CarbonylContact C-O 3.55Å; V331-F341 WeakPolarHBondContact CA-O 3.33Å; V331-F341 VanDerWaalsContact CG1-O 3.31Å; V331-F341 WeakPolarHBondContact CG1-O 3.35Å; T332-F341 PolarHBondContact N-O 2.75Å; T332-F341 WeakPolarHBondContact O-CB 2.92Å; T332-F341 PolarHBondContact O-N 3Å; C334-F341 HydrophobicContact CB-CE2 4.27Å; V339-F341 HydrophobicContact CB-CE2 3.79Å; V339-F341 HydrophobicContact CB-CZ 3.83Å; V339-F341 HydrophobicContact CG1-CE1 4.05Å; V339-F341 HydrophobicContact CG1-CE2 3.72Å; V339-F341 HydrophobicContact CG1-CZ 3.38Å; V339-F341 WeakPolarHBondContact O-CD2 3.44Å; V339-F341 VanDerWaalsContact O-CE2 3.28Å; V339-F341 WeakPolarHBondContact O-CE2 3.44Å; F341-S343 PolarHBondContact O-N 2.7Å; F341-E346 HydrophobicContact CB-CB 4.1Å; F341-E346 HydrophobicContact CD1-CB 3.9Å; F341-E346 HydrophobicContact CG-CB 4.36Å; F341-L347 HydrophobicContact CB-CB 3.96Å; F341-L347 HydrophobicContact CD2-CB 3.87Å; F341-L347 HydrophobicContact CD2-CD1 3.68Å; F341-L347 HydrophobicContact CD2-CG 4.35Å; F341-L347 HydrophobicContact CE2-CD1 3.98Å; F341-L347 HydrophobicContact CG-CB 4.02Å; F341-H350 HydrophobicContact CD1-CB 4.42Å; F341-H350 HydrophobicContact CE1-CB 3.61Å; F341-H350 AromaticContact CE1-CG 3.92Å; F341-H350 HydrophobicContact CE2-CB 3.93Å; F341-H350 AromaticContact CE2-CD2 3.38Å; F341-H350 WeakPolarHBondContact CE2-CD2 3.37Å; F341-H350 AromaticContact CE2-CG 3.55Å; F341-H350 AromaticContact CE2-NE2 4Å; F341-H350 HydrophobicContact CZ-CB 3.33Å; F341-H350 AromaticContact CZ-CD2 3.49Å; F341-H350 VanDerWaalsContact CZ-CD2 3.49Å; F341-H350 WeakPolarHBondContact CZ-CD2 3.36Å; F341-H350 AromaticContact CZ-CG 3.11Å; F341-H350 AromaticContact CZ-ND1 3.56Å
342	P	59.9	Low	71.9	Confident	47 Å²	47	56.8 Å²	56.8	31%	0.305	28%	0.282	S	S	.	.	S	Bend	trans	-58.5	-30	177.9	-24.7	34.6	0	0	0	113.6	I321	I321-P342 HydrophobicContact CD1-CG 3.85Å
343	S	66.1	Low	72.1	Confident	35 Å²	35	63 Å²	63	25%	0.245	31%	0.307	C	S	.	.	S	Bend	trans	-136.6	156.4	177.6	75.2	0	0	0	0	114.2	F341 Y345 E346 L347	F341-S343 PolarHBondContact O-N 2.7Å; S343-Y345 PolarHBondContact O-N 3.22Å; S343-Y345 VanDerWaalsContact O-N 3.14Å; S343-Y345 PolarHBondContact OG-N 3.44Å; S343-E346 VanDerWaalsContact CB-OE2 3.25Å; S343-E346 WeakPolarHBondContact CB-OE2 3.47Å; S343-E346 PolarHBondContact N-OE2 2.78Å; S343-E346 PolarHBondContact O-N 3.47Å; S343-E346 VanDerWaalsContact O-N 3.14Å; S343-E346 VanDerWaalsContact OG-CD 3.32Å; S343-E346 PolarHBondContact OG-N 2.65Å; S343-E346 PolarHBondContact OG-OE2 3.4Å; S343-L347 PolarHBondContact O-N 2.94Å
344	L	67.5	Low	72.2	Confident	49 Å²	49	62.7 Å²	62.7	26%	0.257	31%	0.311	S	S	.	.	H	α-helix	trans	-56.7	-23.7	168.3	-78.4	173.4	0	0	0	113.6	T332 L347 N348 M452	T332-L344 HydrophobicContact CG2-CD2 3.78Å; T332-L344 HydrophobicContact CG2-CG 3.95Å; L344-L347 HydrophobicContact CD2-CD2 4.27Å; L344-N348 WeakPolarHBondContact O-CB 3.48Å; L344-N348 PolarHBondContact O-N 3.4Å; L344-N348 PolarHBondContact O-ND2 3.01Å; L344-N348 PolarHBondContact O-OD1 3.3Å; L344-M452 HydrophobicContact CB-CG 3.89Å; L344-M452 HydrophobicContact CB-SD 4.29Å; L344-M452 HydrophobicContact CD1-CE 4.29Å; L344-M452 HydrophobicContact CD1-CG 4.23Å; L344-M452 HydrophobicContact CD2-CG 4.12Å; L344-M452 HydrophobicContact CG-CG 4.32Å
345	Y	62.1	Low	72.2	Confident	137 Å²	137	63.6 Å²	63.6	54%	0.537	32%	0.315	S	S	.	.	H	α-helix	trans	-73.8	-41.8	177.1	175.5	-107.2	0	0	0	111.4	S343 N348 N349 I463	S343-Y345 PolarHBondContact O-N 3.22Å; S343-Y345 VanDerWaalsContact O-N 3.14Å; S343-Y345 PolarHBondContact OG-N 3.44Å; Y345-N348 PolarHBondContact O-N 3.03Å; Y345-N349 WeakPolarHBondContact CE1-ND2 3.34Å; Y345-N349 VanDerWaalsContact O-CG 3.27Å; Y345-N349 PolarHBondContact O-N 3.29Å; Y345-N349 PolarHBondContact O-ND2 3.22Å; Y345-N349 VanDerWaalsContact O-ND2 3.09Å; Y345-I463 HydrophobicContact CE2-CD1 4.44Å
346	E	67.7	Low	72.3	Confident	79 Å²	79	62.4 Å²	62.4	37%	0.369	31%	0.309	S	S	.	.	H	α-helix	trans	-69.6	-41.6	175.3	-67.3	145.4	144.3	0	0	110.9	F341 S343 N348 N349 H350	F341-E346 HydrophobicContact CB-CB 4.1Å; F341-E346 HydrophobicContact CD1-CB 3.9Å; F341-E346 HydrophobicContact CG-CB 4.36Å; S343-E346 VanDerWaalsContact CB-OE2 3.25Å; S343-E346 WeakPolarHBondContact CB-OE2 3.47Å; S343-E346 PolarHBondContact N-OE2 2.78Å; S343-E346 PolarHBondContact O-N 3.47Å; S343-E346 VanDerWaalsContact O-N 3.14Å; S343-E346 VanDerWaalsContact OG-CD 3.32Å; S343-E346 PolarHBondContact OG-N 2.65Å; S343-E346 PolarHBondContact OG-OE2 3.4Å; E346-N348 PolarHBondContact O-N 3.25Å; E346-N349 PolarHBondContact O-N 3.23Å; E346-H350 WeakPolarHBondContact O-CB 3.17Å; E346-H350 PolarHBondContact O-N 3.22Å
347	L	73.5	Confident	72.1	Confident	22 Å²	22	63.9 Å²	63.9	12%	0.115	32%	0.324	C	S	.	.	H	α-helix	trans	-57.1	-45.6	171.8	173.3	58.1	0	0	0	111.9	R333 C334 F341 S343 L344 N349 H350 F351	R333-L347 WeakPolarHBondContact O-CD2 3.41Å; C334-L347 HydrophobicContact CB-CD1 3.76Å; F341-L347 HydrophobicContact CB-CB 3.96Å; F341-L347 HydrophobicContact CD2-CB 3.87Å; F341-L347 HydrophobicContact CD2-CD1 3.68Å; F341-L347 HydrophobicContact CD2-CG 4.35Å; F341-L347 HydrophobicContact CE2-CD1 3.98Å; F341-L347 HydrophobicContact CG-CB 4.02Å; S343-L347 PolarHBondContact O-N 2.94Å; L344-L347 HydrophobicContact CD2-CD2 4.27Å; L347-N349 PolarHBondContact O-N 3.33Å; L347-H350 PolarHBondContact O-N 3.41Å; L347-F351 WeakPolarHBondContact O-CB 3.22Å; L347-F351 PolarHBondContact O-N 2.84Å
348	N	67.1	Low	71.6	Confident	31 Å²	31	64.1 Å²	64.1	17%	0.166	32%	0.321	C	S	.	.	H	α-helix	trans	-59.9	-46.6	175.2	-77	-14	0	0	0	112.1	L344 Y345 E346 H350 F351 I352 M452	L344-N348 WeakPolarHBondContact O-CB 3.48Å; L344-N348 PolarHBondContact O-N 3.4Å; L344-N348 PolarHBondContact O-ND2 3.01Å; L344-N348 PolarHBondContact O-OD1 3.3Å; Y345-N348 PolarHBondContact O-N 3.03Å; E346-N348 PolarHBondContact O-N 3.25Å; N348-H350 VanDerWaalsContact C-N 3.29Å; N348-H350 PolarHBondContact O-N 3.13Å; N348-F351 PolarHBondContact O-N 3.48Å; N348-I352 WeakPolarHBondContact O-CB 3.37Å; N348-I352 WeakPolarHBondContact O-CD1 3.46Å; N348-I352 VanDerWaalsContact O-CG1 3.24Å; N348-I352 WeakPolarHBondContact O-CG1 3.35Å; N348-I352 PolarHBondContact O-N 2.95Å; N348-M452 WeakPolarHBondContact ND2-CB 3.48Å; N348-M452 WeakPolarHBondContact ND2-CG 3.36Å; N348-M452 PolarHBondContact ND2-SD 3.26Å; N348-M452 VanDerWaalsContact ND2-SD 3.38Å; N348-M452 WeakPolarHBondContact OD1-CB 3.35Å; N348-M452 WeakPolarHBondContact OD1-CG 3.24Å
349	N	67.7	Low	70.8	Confident	51 Å²	51	60.4 Å²	60.4	27%	0.273	30%	0.304	S	S	.	.	H	α-helix	trans	-65.1	-34.7	-179	-72.7	-34.7	0	0	0	112.1	Y345 E346 L347 K353	Y345-N349 WeakPolarHBondContact CE1-ND2 3.34Å; Y345-N349 VanDerWaalsContact O-CG 3.27Å; Y345-N349 PolarHBondContact O-N 3.29Å; Y345-N349 PolarHBondContact O-ND2 3.22Å; Y345-N349 VanDerWaalsContact O-ND2 3.09Å; E346-N349 PolarHBondContact O-N 3.23Å; L347-N349 PolarHBondContact O-N 3.33Å; N349-K353 WeakPolarHBondContact O-CD 3.36Å; N349-K353 VanDerWaalsContact O-CG 3.24Å; N349-K353 WeakPolarHBondContact O-CG 3.38Å; N349-K353 PolarHBondContact O-N 3.48Å
350	H	78	Confident	70.1	Confident	20 Å²	20	62.8 Å²	62.8	9%	0.093	31%	0.312	C	S	.	.	H	α-helix	trans	-66.5	-50.3	170.6	156.4	75.7	0	0	0	111.4	C334 C337 F341 E346 L347 N348 I352 K353 E354 H355	C334-H350 WeakPolarHBondContact CB-NE2 3.44Å; C334-H350 PolarHBondContact SG-NE2 3.01Å; C337-H350 PolarHBondContact SG-CE1 2.95Å; C337-H350 PolarHBondContact SG-NE2 3.35Å; F341-H350 HydrophobicContact CD1-CB 4.42Å; F341-H350 HydrophobicContact CE1-CB 3.61Å; F341-H350 AromaticContact CE1-CG 3.92Å; F341-H350 HydrophobicContact CE2-CB 3.93Å; F341-H350 AromaticContact CE2-CD2 3.38Å; F341-H350 WeakPolarHBondContact CE2-CD2 3.37Å; F341-H350 AromaticContact CE2-CG 3.55Å; F341-H350 AromaticContact CE2-NE2 4Å; F341-H350 HydrophobicContact CZ-CB 3.33Å; F341-H350 AromaticContact CZ-CD2 3.49Å; F341-H350 VanDerWaalsContact CZ-CD2 3.49Å; F341-H350 WeakPolarHBondContact CZ-CD2 3.36Å; F341-H350 AromaticContact CZ-CG 3.11Å; F341-H350 AromaticContact CZ-ND1 3.56Å; E346-H350 WeakPolarHBondContact O-CB 3.17Å; E346-H350 PolarHBondContact O-N 3.22Å; L347-H350 PolarHBondContact O-N 3.41Å; N348-H350 VanDerWaalsContact C-N 3.29Å; N348-H350 PolarHBondContact O-N 3.13Å; H350-I352 VanDerWaalsContact C-N 3.26Å; H350-I352 PolarHBondContact O-N 3.06Å; H350-K353 PolarHBondContact O-N 3.03Å; H350-E354 VanDerWaalsContact CE1-CG 3.49Å; H350-E354 WeakPolarHBondContact CE1-CG 3.44Å; H350-E354 WeakPolarHBondContact ND1-CG 3.28Å; H350-E354 PolarHBondContact O-N 2.94Å; H350-H355 AromaticContact CE1-NE2 3.71Å; H350-H355 AromaticContact NE2-CD2 3.67Å; H350-H355 AromaticContact NE2-NE2 3.3Å; H350-H355 PolarHBondContact NE2-NE2 3.14Å
351	F	75.4	Confident	69.7	Low	39 Å²	39	61.3 Å²	61.3	17%	0.171	31%	0.311	C	S	.	.	H	α-helix	trans	-60	-37.1	-179.3	-161	-81.1	0	0	0	111.9	H336 L347 N348 K353 H355 L359	H336-F351 AromaticContact CD2-CE2 3.32Å; H336-F351 WeakPolarHBondContact CD2-CE2 3.34Å; H336-F351 AromaticContact CD2-CZ 3.66Å; H336-F351 AromaticContact NE2-CE2 3.44Å; H336-F351 WeakPolarHBondContact NE2-CE2 3.33Å; H336-F351 AromaticContact NE2-CZ 3.39Å; H336-F351 WeakPolarHBondContact NE2-CZ 3.38Å; L347-F351 WeakPolarHBondContact O-CB 3.22Å; L347-F351 PolarHBondContact O-N 2.84Å; N348-F351 PolarHBondContact O-N 3.48Å; F351-K353 VanDerWaalsContact C-N 3.28Å; F351-K353 PolarHBondContact O-N 2.85Å; F351-H355 HydrophobicContact CD1-CB 4.36Å; F351-H355 AromaticContact CD2-CD2 3.99Å; F351-H355 HydrophobicContact CG-CB 4.38Å; F351-H355 CarbonylContact O-C 3.3Å; F351-H355 VanDerWaalsContact O-C 3.3Å; F351-H355 WeakPolarHBondContact O-CA 3.4Å; F351-H355 WeakPolarHBondContact O-CB 3.49Å; F351-H355 PolarHBondContact O-N 3.07Å; F351-L359 HydrophobicContact CD1-CD1 4Å; F351-L359 HydrophobicContact CD1-CD2 3.95Å; F351-L359 HydrophobicContact CD1-CG 3.86Å; F351-L359 HydrophobicContact CE1-CD1 4.39Å; F351-L359 HydrophobicContact CE1-CD2 3.64Å; F351-L359 HydrophobicContact CE1-CG 3.74Å
352	I	70.2	Confident	69.1	Low	51 Å²	51	62.1 Å²	62.1	26%	0.262	31%	0.314	S	S	.	.	H	α-helix	trans	-72.8	-16.5	176.2	-68	164.1	0	0	0	113.1	N348 H350 L359 F460	N348-I352 WeakPolarHBondContact O-CB 3.37Å; N348-I352 WeakPolarHBondContact O-CD1 3.46Å; N348-I352 VanDerWaalsContact O-CG1 3.24Å; N348-I352 WeakPolarHBondContact O-CG1 3.35Å; N348-I352 PolarHBondContact O-N 2.95Å; H350-I352 VanDerWaalsContact C-N 3.26Å; H350-I352 PolarHBondContact O-N 3.06Å; I352-L359 HydrophobicContact CB-CD1 4.38Å; I352-L359 HydrophobicContact CG1-CD1 3.95Å; I352-F460 HydrophobicContact CD1-CE2 4.03Å; I352-F460 HydrophobicContact CD1-CZ 3.79Å; I352-F460 HydrophobicContact CG1-CZ 4.11Å; I352-F460 HydrophobicContact CG2-CE1 4.32Å; I352-F460 HydrophobicContact CG2-CZ 3.91Å
353	K	72.4	Confident	68.9	Low	155 Å²	155	64.8 Å²	64.8	67%	0.674	32%	0.324	S	S	*	.	H	α-helix	trans	-100.3	-57	177.5	-73.5	173.9	174.8	-170.9	0	112.5	N349 H350 F351	N349-K353 WeakPolarHBondContact O-CD 3.36Å; N349-K353 VanDerWaalsContact O-CG 3.24Å; N349-K353 WeakPolarHBondContact O-CG 3.38Å; N349-K353 PolarHBondContact O-N 3.48Å; H350-K353 PolarHBondContact O-N 3.03Å; F351-K353 VanDerWaalsContact C-N 3.28Å; F351-K353 PolarHBondContact O-N 2.85Å
354	E	76.4	Confident	68.3	Low	124 Å²	124	68.3 Å²	68.3	58%	0.579	34%	0.337	S	S	*	.	H	α-helix	trans	-85.5	-16.5	-170.7	-43.2	-47.5	136.4	0	0	112.2	H350	H350-E354 VanDerWaalsContact CE1-CG 3.49Å; H350-E354 WeakPolarHBondContact CE1-CG 3.44Å; H350-E354 WeakPolarHBondContact ND1-CG 3.28Å; H350-E354 PolarHBondContact O-N 2.94Å
355	H	79.9	Confident	67.7	Low	20 Å²	20	73.5 Å²	73.5	9%	0.093	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.1	25.1	-177.8	-54.5	-35.6	0	0	0	112.5	C334 H336 C337 H350 F351 V357 I358 L359	C334-H355 PolarHBondContact SG-CD2 3.49Å; C334-H355 PolarHBondContact SG-NE2 3.1Å; H336-H355 AromaticContact CD2-CD2 3.87Å; C337-H355 PolarHBondContact SG-NE2 3.08Å; C337-H355 VanDerWaalsContact SG-NE2 3.41Å; H350-H355 AromaticContact CE1-NE2 3.71Å; H350-H355 AromaticContact NE2-CD2 3.67Å; H350-H355 AromaticContact NE2-NE2 3.3Å; H350-H355 PolarHBondContact NE2-NE2 3.14Å; F351-H355 HydrophobicContact CD1-CB 4.36Å; F351-H355 AromaticContact CD2-CD2 3.99Å; F351-H355 HydrophobicContact CG-CB 4.38Å; F351-H355 CarbonylContact O-C 3.3Å; F351-H355 VanDerWaalsContact O-C 3.3Å; F351-H355 WeakPolarHBondContact O-CA 3.4Å; F351-H355 WeakPolarHBondContact O-CB 3.49Å; F351-H355 PolarHBondContact O-N 3.07Å; H355-V357 PolarHBondContact O-N 3.43Å; H355-I358 HydrophobicContact CB-CB 4.4Å; H355-I358 HydrophobicContact CB-CD1 4.17Å; H355-I358 HydrophobicContact CB-CG1 4.42Å; H355-I358 WeakPolarHBondContact O-CB 3.41Å; H355-I358 PolarHBondContact O-N 2.8Å; H355-L359 PolarHBondContact O-N 3.34Å
356	D	70.8	Confident	67.1	Low	66 Å²	66	68.4 Å²	68.4	35%	0.353	34%	0.342	S	S	.	.	H	α-helix	trans	-59.8	-34.3	175.6	-167.7	43.9	0	0	0	112.1	I358 L359 Q360	D356-I358 VanDerWaalsContact C-N 3.29Å; D356-I358 PolarHBondContact O-N 3.49Å; D356-L359 CarbonylContact O-C 3.59Å; D356-L359 WeakPolarHBondContact O-CB 3.23Å; D356-L359 PolarHBondContact O-N 3.06Å; D356-Q360 WeakPolarHBondContact O-CB 3.39Å; D356-Q360 VanDerWaalsContact O-CG 3.24Å; D356-Q360 WeakPolarHBondContact O-CG 3.49Å; D356-Q360 PolarHBondContact O-N 2.95Å; D356-Q360 PolarHBondContact OD2-NE2 2.95Å
357	V	72.5	Confident	66.1	Low	120 Å²	120	69.4 Å²	69.4	73%	0.727	35%	0.346	S	S	*	.	H	α-helix	trans	-60.3	-39.4	173.8	-175.2	0	0	0	0	111.8	H355 Q360 A361	H355-V357 PolarHBondContact O-N 3.43Å; V357-Q360 PolarHBondContact O-N 3.5Å; V357-A361 PolarHBondContact O-N 2.94Å; V357-A361 VanDerWaalsContact O-N 3.08Å
358	I	72.5	Confident	64.6	Low	58 Å²	58	70.4 Å²	70.4	30%	0.297	35%	0.354	S	S	.	.	H	α-helix	trans	-71.7	-43.2	178	-53.9	179.8	0	0	0	109.8	H336 H355 D356 Q360 A361 E362	H336-I358 HydrophobicContact CB-CD1 4.11Å; H355-I358 HydrophobicContact CB-CB 4.4Å; H355-I358 HydrophobicContact CB-CD1 4.17Å; H355-I358 HydrophobicContact CB-CG1 4.42Å; H355-I358 WeakPolarHBondContact O-CB 3.41Å; H355-I358 PolarHBondContact O-N 2.8Å; D356-I358 VanDerWaalsContact C-N 3.29Å; D356-I358 PolarHBondContact O-N 3.49Å; I358-Q360 VanDerWaalsContact C-N 3.32Å; I358-Q360 PolarHBondContact O-N 3.28Å; I358-A361 PolarHBondContact O-N 3.46Å; I358-E362 HydrophobicContact CG2-CG 4.49Å; I358-E362 WeakPolarHBondContact O-CB 3.41Å; I358-E362 WeakPolarHBondContact O-CG 3.32Å; I358-E362 PolarHBondContact O-N 3.38Å
359	L	63	Low	63.4	Low	25 Å²	25	76 Å²	76	13%	0.131	37%	0.374	C	S	.	.	H	α-helix	trans	-57.9	-42.2	171.8	-76.6	171.1	0	0	0	112.2	F351 I352 H355 D356 M363	F351-L359 HydrophobicContact CD1-CD1 4Å; F351-L359 HydrophobicContact CD1-CD2 3.95Å; F351-L359 HydrophobicContact CD1-CG 3.86Å; F351-L359 HydrophobicContact CE1-CD1 4.39Å; F351-L359 HydrophobicContact CE1-CD2 3.64Å; F351-L359 HydrophobicContact CE1-CG 3.74Å; I352-L359 HydrophobicContact CB-CD1 4.38Å; I352-L359 HydrophobicContact CG1-CD1 3.95Å; H355-L359 PolarHBondContact O-N 3.34Å; D356-L359 CarbonylContact O-C 3.59Å; D356-L359 WeakPolarHBondContact O-CB 3.23Å; D356-L359 PolarHBondContact O-N 3.06Å; L359-M363 WeakPolarHBondContact O-CB 3.35Å; L359-M363 WeakPolarHBondContact O-CG 3.33Å; L359-M363 PolarHBondContact O-N 2.97Å
360	Q	60.2	Low	62.2	Low	93 Å²	93	79.8 Å²	79.8	44%	0.435	39%	0.387	S	S	.	.	H	α-helix	trans	-64.8	-46	180	-75.1	-177.4	36.2	0	0	111	D356 V357 I358 M363 E364 K367	D356-Q360 WeakPolarHBondContact O-CB 3.39Å; D356-Q360 VanDerWaalsContact O-CG 3.24Å; D356-Q360 WeakPolarHBondContact O-CG 3.49Å; D356-Q360 PolarHBondContact O-N 2.95Å; D356-Q360 PolarHBondContact OD2-NE2 2.95Å; V357-Q360 PolarHBondContact O-N 3.5Å; I358-Q360 VanDerWaalsContact C-N 3.32Å; I358-Q360 PolarHBondContact O-N 3.28Å; Q360-M363 CarbonylContact O-C 3.42Å; Q360-M363 WeakPolarHBondContact O-CA 3.48Å; Q360-M363 WeakPolarHBondContact O-CB 3.47Å; Q360-M363 PolarHBondContact O-N 3.44Å; Q360-M363 VanDerWaalsContact O-N 3.16Å; Q360-E364 PolarHBondContact O-N 3.08Å; Q360-K367 PolarHBondContact O-NZ 3.17Å
361	A	66.9	Low	60.4	Low	39 Å²	39	82.4 Å²	82.4	32%	0.322	41%	0.408	S	S	.	.	H	α-helix	trans	-63.1	-48.2	175.2	0	0	0	0	0	112.8	V357 I358 M363 E364 H365	V357-A361 PolarHBondContact O-N 2.94Å; V357-A361 VanDerWaalsContact O-N 3.08Å; I358-A361 PolarHBondContact O-N 3.46Å; A361-M363 PolarHBondContact O-N 3.12Å; A361-E364 WeakPolarHBondContact O-CB 3.43Å; A361-E364 PolarHBondContact O-N 3.15Å; A361-H365 PolarHBondContact O-CD2 3Å; A361-H365 PolarHBondContact O-N 2.84Å
362	E	61.5	Low	58.8	Low	43 Å²	43	87.3 Å²	87.3	20%	0.201	43%	0.431	C	S	.	.	H	α-helix	trans	-59.4	-33.1	172.4	-73.4	-173.8	172.7	0	0	112.1	I358 T366 I428	I358-E362 HydrophobicContact CG2-CG 4.49Å; I358-E362 WeakPolarHBondContact O-CB 3.41Å; I358-E362 WeakPolarHBondContact O-CG 3.32Å; I358-E362 PolarHBondContact O-N 3.38Å; E362-T366 WeakPolarHBondContact O-CG2 3.48Å; E362-T366 PolarHBondContact O-N 3.28Å; E362-T366 PolarHBondContact O-OG1 2.9Å; E362-I428 HydrophobicContact CG-CG2 4.15Å; E362-I428 WeakPolarHBondContact OE1-CG2 3.22Å; E362-I428 WeakPolarHBondContact OE2-CG2 3.16Å
363	M	55.9	Low	57.5	Low	103 Å²	103	87.2 Å²	87.2	51%	0.507	43%	0.433	S	S	.	.	H	α-helix	trans	-73	-38.4	172.3	-75.9	-178.2	61.9	0	0	112	L359 Q360 A361 T366 K367	L359-M363 WeakPolarHBondContact O-CB 3.35Å; L359-M363 WeakPolarHBondContact O-CG 3.33Å; L359-M363 PolarHBondContact O-N 2.97Å; Q360-M363 CarbonylContact O-C 3.42Å; Q360-M363 WeakPolarHBondContact O-CA 3.48Å; Q360-M363 WeakPolarHBondContact O-CB 3.47Å; Q360-M363 PolarHBondContact O-N 3.44Å; Q360-M363 VanDerWaalsContact O-N 3.16Å; A361-M363 PolarHBondContact O-N 3.12Å; M363-T366 CarbonylContact O-C 3.41Å; M363-T366 PolarHBondContact O-N 3.26Å; M363-T366 VanDerWaalsContact O-N 3.1Å; M363-K367 HydrophobicContact CB-CD 4.44Å; M363-K367 VanDerWaalsContact O-CB 3.27Å; M363-K367 WeakPolarHBondContact O-CB 3.46Å; M363-K367 VanDerWaalsContact O-CD 3.29Å; M363-K367 WeakPolarHBondContact O-CD 3.36Å; M363-K367 WeakPolarHBondContact O-CG 3.47Å; M363-K367 PolarHBondContact O-N 3.45Å
364	E	53.8	Low	56.3	Low	110 Å²	110	81.1 Å²	81.1	51%	0.514	41%	0.407	S	S	.	.	H	α-helix	trans	-53.8	-53.9	169	-101.8	92.5	-112.4	0	0	110.9	Q360 A361 T366 K367	Q360-E364 PolarHBondContact O-N 3.08Å; A361-E364 WeakPolarHBondContact O-CB 3.43Å; A361-E364 PolarHBondContact O-N 3.15Å; E364-T366 PolarHBondContact O-N 3.08Å; E364-K367 PolarHBondContact O-N 3.06Å; E364-K367 IonicContact OE1-NZ 3.3Å; E364-K367 PolarHBondContact OE1-NZ 2.7Å
365	H	54.7	Low	55.1	Low	158 Å²	158	80 Å²	80	73%	0.731	41%	0.406	S	S	*	.	H	α-helix	trans	-62	-13.3	177.7	-59.8	-51.1	0	0	0	114.1	A361	A361-H365 PolarHBondContact O-CD2 3Å; A361-H365 PolarHBondContact O-N 2.84Å
366	T	49.4	Very low	53.8	Low	29 Å²	29	84.4 Å²	84.4	18%	0.178	43%	0.43	C	S	.	.	H	α-helix	trans	-121.5	-1.3	178.2	62.2	0	0	0	0	115.9	E362 M363 E364	E362-T366 WeakPolarHBondContact O-CG2 3.48Å; E362-T366 PolarHBondContact O-N 3.28Å; E362-T366 PolarHBondContact O-OG1 2.9Å; M363-T366 CarbonylContact O-C 3.41Å; M363-T366 PolarHBondContact O-N 3.26Å; M363-T366 VanDerWaalsContact O-N 3.1Å; E364-T366 PolarHBondContact O-N 3.08Å
367	K	46.2	Very low	53.2	Low	100 Å²	100	84.1 Å²	84.1	44%	0.435	43%	0.433	S	S	.	.	H	α-helix	trans	-71.1	-43.5	173.8	-84.5	153.6	-172.2	147.5	0	110	Q360 M363 E364 W369	Q360-K367 PolarHBondContact O-NZ 3.17Å; M363-K367 HydrophobicContact CB-CD 4.44Å; M363-K367 VanDerWaalsContact O-CB 3.27Å; M363-K367 WeakPolarHBondContact O-CB 3.46Å; M363-K367 VanDerWaalsContact O-CD 3.29Å; M363-K367 WeakPolarHBondContact O-CD 3.36Å; M363-K367 WeakPolarHBondContact O-CG 3.47Å; M363-K367 PolarHBondContact O-N 3.45Å; E364-K367 PolarHBondContact O-N 3.06Å; E364-K367 IonicContact OE1-NZ 3.3Å; E364-K367 PolarHBondContact OE1-NZ 2.7Å; K367-W369 PolarHBondContact O-N 2.66Å
368	S	43.2	Very low	52.4	Low	43 Å²	43	79.3 Å²	79.3	30%	0.301	41%	0.405	S	S	.	.			trans	-69.8	34.9	-167.9	-149.2	0	0	0	0	120.5	K370 S371 H372	S368-K370 PolarHBondContact O-N 3.03Å; S368-K370 VanDerWaalsContact O-N 3.08Å; S368-K370 PolarHBondContact OG-N 2.76Å; S368-K370 VanDerWaalsContact OG-N 3.17Å; S368-S371 VanDerWaalsContact CB-OG 3.3Å; S368-S371 WeakPolarHBondContact CB-OG 3.46Å; S368-S371 PolarHBondContact O-N 2.67Å; S368-S371 WeakPolarHBondContact OG-CB 3.37Å; S368-S371 PolarHBondContact OG-N 2.87Å; S368-S371 PolarHBondContact OG-OG 2.76Å; S368-H372 PolarHBondContact O-N 3.38Å
369	W	40.7	Very low	51.7	Low	150 Å²	150	78.1 Å²	78.1	57%	0.568	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-9.2	175.7	82	-85.8	0	0	0	114.3	K367	K367-W369 PolarHBondContact O-N 2.66Å
370	K	42.2	Very low	51.5	Low	129 Å²	129	81.3 Å²	81.3	56%	0.561	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-7.3	178.8	-79.9	-174.3	168.2	-173.5	0	114.1	S368	S368-K370 PolarHBondContact O-N 3.03Å; S368-K370 VanDerWaalsContact O-N 3.08Å; S368-K370 PolarHBondContact OG-N 2.76Å; S368-K370 VanDerWaalsContact OG-N 3.17Å
371	S	41.6	Very low	51.6	Low	75 Å²	75	80.6 Å²	80.6	52%	0.524	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.8	7.8	-170.3	68.8	0	0	0	0	115.5	S368	S368-S371 VanDerWaalsContact CB-OG 3.3Å; S368-S371 WeakPolarHBondContact CB-OG 3.46Å; S368-S371 PolarHBondContact O-N 2.67Å; S368-S371 WeakPolarHBondContact OG-CB 3.37Å; S368-S371 PolarHBondContact OG-N 2.87Å; S368-S371 PolarHBondContact OG-OG 2.76Å
372	H	40.3	Very low	51.1	Low	142 Å²	142	79.5 Å²	79.5	66%	0.657	40%	0.4	S	S	*	.	S	Bend	trans	-142.8	131.1	172.6	-78.7	-71.3	0	0	0	112.2	S368	S368-H372 PolarHBondContact O-N 3.38Å
373	T	43	Very low	51.2	Low	49 Å²	49	83.9 Å²	83.9	30%	0.301	42%	0.415	S	S	.	.	S	Bend	trans	76.5	25.5	157.3	70.3	0	0	0	0	119.8	S420 Q422	T373-S420 PolarHBondContact O-OG 2.87Å; T373-Q422 HydrophobicContact CG2-CG 4.28Å; T373-Q422 WeakPolarHBondContact O-CB 3.5Å; T373-Q422 WeakPolarHBondContact O-CG 3.48Å
374	I	48	Very low	51.6	Low	27 Å²	27	81.8 Å²	81.8	14%	0.138	41%	0.405	C	S	.	.	S	Bend	trans	-93.9	144.5	130.1	-59	171.5	0	0	0	105.2	D376 C378 L379 I416 M417	I374-D376 PolarHBondContact O-N 3.46Å; I374-C378 HydrophobicContact CG2-CB 3.99Å; I374-L379 HydrophobicContact CB-CD1 4.15Å; I374-L379 HydrophobicContact CB-CD2 4.38Å; I374-L379 HydrophobicContact CB-CG 3.99Å; I374-L379 HydrophobicContact CD1-CD2 3.96Å; I374-L379 HydrophobicContact CG2-CD2 4.28Å; I374-L379 HydrophobicContact CG2-CG 3.89Å; I374-I416 HydrophobicContact CG2-CG2 4.06Å; I374-M417 HydrophobicContact CD1-CG 4.19Å; I374-M417 HydrophobicContact CD1-SD 3.63Å; I374-M417 HydrophobicContact CG1-SD 3.52Å; I374-M417 VanDerWaalsContact CG1-SD 3.52Å
375	D	51.8	Low	52	Low	102 Å²	102	79.1 Å²	79.1	55%	0.545	39%	0.394	S	S	.	.			trans	-57.4	128.9	170.3	175.9	6.4	0	0	0	109.5	S377 C378 L379	D375-S377 PolarHBondContact O-N 3.15Å; D375-S377 WeakPolarHBondContact OD1-CB 3.26Å; D375-S377 PolarHBondContact OD1-N 3.31Å; D375-S377 PolarHBondContact OD1-OG 3.2Å; D375-S377 WeakPolarHBondContact OD2-CB 3.39Å; D375-S377 PolarHBondContact OD2-OG 2.85Å; D375-C378 HydrophobicContact CB-CB 4.37Å; D375-C378 WeakPolarHBondContact O-CA 3.46Å; D375-C378 WeakPolarHBondContact O-CB 3.32Å; D375-C378 PolarHBondContact O-N 3.24Å; D375-L379 PolarHBondContact O-N 3.01Å; D375-L379 VanDerWaalsContact O-N 3.08Å
376	D	51.8	Low	52.2	Low	112 Å²	112	73.2 Å²	73.2	60%	0.599	37%	0.368	S	S	*	.	H	α-helix	trans	-61.2	-25.8	178.8	-82.6	-56.4	0	0	0	112	I374 C378 L379 Q380	I374-D376 PolarHBondContact O-N 3.46Å; D376-C378 VanDerWaalsContact C-N 3.29Å; D376-C378 PolarHBondContact O-N 3.1Å; D376-L379 PolarHBondContact O-N 2.74Å; D376-Q380 VanDerWaalsContact O-CB 3.23Å; D376-Q380 WeakPolarHBondContact O-CB 3.44Å; D376-Q380 PolarHBondContact O-N 3.06Å
377	S	57.1	Low	52.5	Low	60 Å²	60	77.8 Å²	77.8	42%	0.42	39%	0.391	S	S	.	.	H	α-helix	trans	-57.9	-43.3	169	90.6	0	0	0	0	111.2	D375 Q380 N381	D375-S377 PolarHBondContact O-N 3.15Å; D375-S377 WeakPolarHBondContact OD1-CB 3.26Å; D375-S377 PolarHBondContact OD1-N 3.31Å; D375-S377 PolarHBondContact OD1-OG 3.2Å; D375-S377 WeakPolarHBondContact OD2-CB 3.39Å; D375-S377 PolarHBondContact OD2-OG 2.85Å; S377-Q380 PolarHBondContact O-N 3.16Å; S377-N381 VanDerWaalsContact O-CB 3.24Å; S377-N381 WeakPolarHBondContact O-CB 3.3Å; S377-N381 PolarHBondContact O-N 3.34Å; S377-N381 PolarHBondContact O-ND2 3.28Å; S377-N381 VanDerWaalsContact O-ND2 3.12Å
378	C	55.9	Low	52.7	Low	19 Å²	19	81.3 Å²	81.3	13%	0.128	40%	0.401	C	S	.	.	H	α-helix	trans	-75.4	-35.4	-177.6	-162.7	0	0	0	0	111.5	I374 D375 D376 M382	I374-C378 HydrophobicContact CG2-CB 3.99Å; D375-C378 HydrophobicContact CB-CB 4.37Å; D375-C378 WeakPolarHBondContact O-CA 3.46Å; D375-C378 WeakPolarHBondContact O-CB 3.32Å; D375-C378 PolarHBondContact O-N 3.24Å; D376-C378 VanDerWaalsContact C-N 3.29Å; D376-C378 PolarHBondContact O-N 3.1Å; C378-M382 WeakPolarHBondContact O-CB 3.46Å; C378-M382 WeakPolarHBondContact O-CG 3.24Å; C378-M382 PolarHBondContact O-N 3.27Å
379	L	58	Low	53.2	Low	33 Å²	33	80.8 Å²	80.8	17%	0.173	40%	0.398	C	S	.	.	H	α-helix	trans	-69.1	-36.6	171.3	-74.4	178	0	0	0	112.8	I374 D375 D376 M382 R383	I374-L379 HydrophobicContact CB-CD1 4.15Å; I374-L379 HydrophobicContact CB-CD2 4.38Å; I374-L379 HydrophobicContact CB-CG 3.99Å; I374-L379 HydrophobicContact CD1-CD2 3.96Å; I374-L379 HydrophobicContact CG2-CD2 4.28Å; I374-L379 HydrophobicContact CG2-CG 3.89Å; D375-L379 PolarHBondContact O-N 3.01Å; D375-L379 VanDerWaalsContact O-N 3.08Å; D376-L379 PolarHBondContact O-N 2.74Å; L379-M382 WeakPolarHBondContact O-CB 3.16Å; L379-M382 PolarHBondContact O-N 3.29Å; L379-R383 WeakPolarHBondContact O-CG 3.45Å; L379-R383 PolarHBondContact O-N 3.08Å; L379-R383 VanDerWaalsContact O-N 3.07Å
380	Q	59.4	Low	53.6	Low	91 Å²	91	79.4 Å²	79.4	43%	0.425	41%	0.406	S	S	.	.	H	α-helix	trans	-72	-44.1	176.2	-176	64.8	-5.7	0	0	111.4	D376 S377 M382 R383 I384	D376-Q380 VanDerWaalsContact O-CB 3.23Å; D376-Q380 WeakPolarHBondContact O-CB 3.44Å; D376-Q380 PolarHBondContact O-N 3.06Å; S377-Q380 PolarHBondContact O-N 3.16Å; Q380-M382 PolarHBondContact O-N 3.17Å; Q380-R383 WeakPolarHBondContact O-CB 3.44Å; Q380-R383 PolarHBondContact O-N 2.9Å; Q380-I384 HydrophobicContact CG-CD1 4.27Å; Q380-I384 WeakPolarHBondContact O-CG1 3.44Å; Q380-I384 PolarHBondContact O-N 2.71Å
381	N	61.6	Low	53.7	Low	79 Å²	79	82.4 Å²	82.4	42%	0.422	42%	0.419	S	S	.	.	H	α-helix	trans	-57.5	-38.5	171.1	-74.3	-27.2	0	0	0	111.4	S377 I384 L385	S377-N381 VanDerWaalsContact O-CB 3.24Å; S377-N381 WeakPolarHBondContact O-CB 3.3Å; S377-N381 PolarHBondContact O-N 3.34Å; S377-N381 PolarHBondContact O-ND2 3.28Å; S377-N381 VanDerWaalsContact O-ND2 3.12Å; N381-I384 PolarHBondContact O-N 3.16Å; N381-L385 WeakPolarHBondContact O-CB 3.45Å; N381-L385 VanDerWaalsContact O-CG 3.31Å; N381-L385 WeakPolarHBondContact O-CG 3.43Å; N381-L385 PolarHBondContact O-N 2.83Å
382	M	57.7	Low	53.7	Low	16 Å²	16	85 Å²	85	8%	0.079	43%	0.425	C	S	.	.	H	α-helix	trans	-58.9	-48	170.2	-89.3	-74.8	-80.7	0	0	113.1	C378 L379 Q380 I384 L385 M386 L412 Q413 I416	C378-M382 WeakPolarHBondContact O-CB 3.46Å; C378-M382 WeakPolarHBondContact O-CG 3.24Å; C378-M382 PolarHBondContact O-N 3.27Å; L379-M382 WeakPolarHBondContact O-CB 3.16Å; L379-M382 PolarHBondContact O-N 3.29Å; Q380-M382 PolarHBondContact O-N 3.17Å; M382-I384 VanDerWaalsContact C-N 3.29Å; M382-I384 PolarHBondContact O-N 3.25Å; M382-L385 PolarHBondContact O-N 3.45Å; M382-M386 HydrophobicContact CE-CE 3.46Å; M382-M386 VanDerWaalsContact CE-CE 3.46Å; M382-M386 WeakPolarHBondContact O-CB 3.46Å; M382-M386 WeakPolarHBondContact O-CG 3.3Å; M382-M386 PolarHBondContact O-N 3.46Å; M382-M386 HydrophobicContact SD-CE 3.87Å; M382-L412 HydrophobicContact CE-CB 4.22Å; M382-L412 HydrophobicContact CE-CD2 3.97Å; M382-L412 HydrophobicContact CE-CG 3.8Å; M382-L412 HydrophobicContact SD-CD2 3.37Å; M382-L412 WeakPolarHBondContact SD-CD2 3.49Å; M382-L412 HydrophobicContact SD-CG 3.67Å; M382-Q413 HydrophobicContact CE-CB 4.15Å; M382-I416 HydrophobicContact CE-CD1 3.99Å; M382-I416 HydrophobicContact CG-CD1 3.32Å; M382-I416 HydrophobicContact SD-CD1 3.36Å; M382-I416 WeakPolarHBondContact SD-CD1 3.27Å
383	R	62.5	Low	54.1	Low	134 Å²	134	87.1 Å²	87.1	51%	0.506	44%	0.441	S	S	.	.	H	α-helix	trans	-58.5	-41.9	176.1	-65.5	179.1	-165.1	113.2	1.8	111.5	L379 Q380 M386 N387	L379-R383 WeakPolarHBondContact O-CG 3.45Å; L379-R383 PolarHBondContact O-N 3.08Å; L379-R383 VanDerWaalsContact O-N 3.07Å; Q380-R383 WeakPolarHBondContact O-CB 3.44Å; Q380-R383 PolarHBondContact O-N 2.9Å; R383-M386 PolarHBondContact O-N 3.07Å; R383-N387 WeakPolarHBondContact O-CB 3.11Å; R383-N387 PolarHBondContact O-N 3.34Å
384	I	65.6	Low	54.6	Low	60 Å²	60	91 Å²	91	31%	0.308	46%	0.457	S	S	.	.	H	α-helix	trans	-65.4	-44.5	179	-65.1	164.9	0	0	0	111.3	Q380 N381 M382 N387 R388	Q380-I384 HydrophobicContact CG-CD1 4.27Å; Q380-I384 WeakPolarHBondContact O-CG1 3.44Å; Q380-I384 PolarHBondContact O-N 2.71Å; N381-I384 PolarHBondContact O-N 3.16Å; M382-I384 VanDerWaalsContact C-N 3.29Å; M382-I384 PolarHBondContact O-N 3.25Å; I384-N387 PolarHBondContact O-N 3.13Å; I384-R388 WeakPolarHBondContact O-CG 3.23Å; I384-R388 PolarHBondContact O-N 2.97Å; I384-R388 VanDerWaalsContact O-N 3.13Å
385	L	60.7	Low	55.4	Low	54 Å²	54	95.7 Å²	95.7	28%	0.283	49%	0.492	S	S	.	.	H	α-helix	trans	-65	-44.7	176.7	-71.5	169.4	0	0	0	111.4	N381 M382 N387 R388 S389 P400	N381-L385 WeakPolarHBondContact O-CB 3.45Å; N381-L385 VanDerWaalsContact O-CG 3.31Å; N381-L385 WeakPolarHBondContact O-CG 3.43Å; N381-L385 PolarHBondContact O-N 2.83Å; M382-L385 PolarHBondContact O-N 3.45Å; L385-N387 VanDerWaalsContact C-N 3.35Å; L385-N387 PolarHBondContact O-N 3.05Å; L385-R388 PolarHBondContact O-N 3.25Å; L385-R388 VanDerWaalsContact O-N 3.1Å; L385-S389 PolarHBondContact O-N 3.23Å; L385-S389 PolarHBondContact O-OG 2.86Å; L385-P400 HydrophobicContact CD1-CB 4.46Å
386	M	58.5	Low	56.7	Low	34 Å²	34	91.2 Å²	91.2	17%	0.167	47%	0.47	C	S	.	.	H	α-helix	trans	-58	-45.4	175.9	-68.6	-62.9	160.9	0	0	112.2	M382 R383 R388 S389 T390 Y397 P409 L412	M382-M386 HydrophobicContact CE-CE 3.46Å; M382-M386 VanDerWaalsContact CE-CE 3.46Å; M382-M386 WeakPolarHBondContact O-CB 3.46Å; M382-M386 WeakPolarHBondContact O-CG 3.3Å; M382-M386 PolarHBondContact O-N 3.46Å; M382-M386 HydrophobicContact SD-CE 3.87Å; R383-M386 PolarHBondContact O-N 3.07Å; M386-R388 PolarHBondContact O-N 3.45Å; M386-S389 PolarHBondContact O-N 3.11Å; M386-T390 PolarHBondContact O-N 3.4Å; M386-Y397 HydrophobicContact CE-CD1 3.74Å; M386-Y397 HydrophobicContact CE-CE1 4.38Å; M386-Y397 HydrophobicContact CE-CG 4.11Å; M386-Y397 HydrophobicContact SD-CD1 3.36Å; M386-Y397 WeakPolarHBondContact SD-CD1 3.22Å; M386-Y397 HydrophobicContact SD-CE1 3.48Å; M386-Y397 WeakPolarHBondContact SD-CE1 3.38Å; M386-Y397 HydrophobicContact SD-CG 4.26Å; M386-P409 HydrophobicContact CE-CB 3.56Å; M386-P409 HydrophobicContact SD-CB 3.47Å; M386-P409 WeakPolarHBondContact SD-CB 3.28Å; M386-L412 HydrophobicContact CE-CB 4.46Å; M386-L412 HydrophobicContact CE-CD2 3.93Å
387	N	56.3	Low	58.1	Low	124 Å²	124	88.6 Å²	88.6	66%	0.663	45%	0.452	S	S	*	.	H	α-helix	trans	-72.5	-12.3	179.5	-68.6	-3.7	0	0	0	113.7	R383 I384 L385 T390	R383-N387 WeakPolarHBondContact O-CB 3.11Å; R383-N387 PolarHBondContact O-N 3.34Å; I384-N387 PolarHBondContact O-N 3.13Å; L385-N387 VanDerWaalsContact C-N 3.35Å; L385-N387 PolarHBondContact O-N 3.05Å; N387-T390 PolarHBondContact O-OG1 3.3Å
388	R	51.6	Low	59.4	Low	174 Å²	174	87.9 Å²	87.9	66%	0.657	45%	0.446	S	S	*	.	H	α-helix	trans	-94.3	-37.8	171.4	-72.6	173.8	176.6	174.6	-0.1	111.7	I384 L385 M386 T390 K391	I384-R388 WeakPolarHBondContact O-CG 3.23Å; I384-R388 PolarHBondContact O-N 2.97Å; I384-R388 VanDerWaalsContact O-N 3.13Å; L385-R388 PolarHBondContact O-N 3.25Å; L385-R388 VanDerWaalsContact O-N 3.1Å; M386-R388 PolarHBondContact O-N 3.45Å; R388-T390 PolarHBondContact O-N 3.37Å; R388-K391 PolarHBondContact O-N 3.35Å
389	S	53.1	Low	60.9	Low	32 Å²	32	87.7 Å²	87.7	22%	0.224	45%	0.445	C	S	.	.	H	α-helix	trans	-63.2	-21.7	176.5	-67.1	0	0	0	0	113.9	L385 M386 K391	L385-S389 PolarHBondContact O-N 3.23Å; L385-S389 PolarHBondContact O-OG 2.86Å; M386-S389 PolarHBondContact O-N 3.11Å; S389-K391 PolarHBondContact O-N 3.29Å
390	T	49.1	Very low	62.1	Low	122 Å²	122	89.1 Å²	89.1	75%	0.748	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-11	171.3	49.9	0	0	0	0	114	M386 N387 R388	M386-T390 PolarHBondContact O-N 3.4Å; N387-T390 PolarHBondContact O-OG1 3.3Å; R388-T390 PolarHBondContact O-N 3.37Å
391	K	45.2	Very low	63.2	Low	191 Å²	191	88 Å²	88	83%	0.83	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.5	2.4	-178.2	-160.5	168.2	180	177.7	0	114	R388 S389	R388-K391 PolarHBondContact O-N 3.35Å; S389-K391 PolarHBondContact O-N 3.29Å
392	M	41	Very low	64.5	Low	131 Å²	131	86.2 Å²	86.2	65%	0.645	45%	0.452	S	S	*	.	S	Bend	trans	-136.5	133.7	177.3	-56.4	-157.6	84.9	0	0	111.7	M394	M392-M394 HydrophobicContact CB-CG 4.45Å; M392-M394 PolarHBondContact O-N 3.38Å
393	N	47.9	Very low	65.9	Low	185 Å²	185	93.4 Å²	93.4	99%	0.989	49%	0.49	S	S	*	.			trans	-73.9	55.5	179.4	-76.6	-31	0	0	0	112.9
394	M	53.7	Low	67.1	Low	130 Å²	130	91.4 Å²	91.4	64%	0.64	48%	0.483	S	S	*	.			trans	-85.3	133	167	-61.4	-172.1	81.3	0	0	108.9	M392 G396	M392-M394 HydrophobicContact CB-CG 4.45Å; M392-M394 PolarHBondContact O-N 3.38Å; M394-G396 PolarHBondContact O-N 3.38Å
395	S	65.4	Low	68.2	Low	127 Å²	127	92.5 Å²	92.5	89%	0.888	49%	0.492	S	S	*	.	S	Bend	trans	-73.1	13.1	-170.4	52.3	0	0	0	0	115.5
396	G	79.3	Confident	69.4	Low	7 Å²	7	90 Å²	90	7%	0.072	48%	0.479	C	S	.	.	S	Bend	trans	175.3	-173.9	175.7	0	0	0	0	0	112.6	M394 A406	M394-G396 PolarHBondContact O-N 3.38Å; G396-A406 CarbonylContact C-O 3.52Å; G396-A406 VanDerWaalsContact CA-O 3.28Å; G396-A406 WeakPolarHBondContact CA-O 3.25Å
397	Y	80.3	Confident	70.7	Confident	58 Å²	58	94.8 Å²	94.8	23%	0.227	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	109.8	-175.7	-55.4	-90.4	0	0	0	109.4	M386 A406 P409	M386-Y397 HydrophobicContact CE-CD1 3.74Å; M386-Y397 HydrophobicContact CE-CE1 4.38Å; M386-Y397 HydrophobicContact CE-CG 4.11Å; M386-Y397 HydrophobicContact SD-CD1 3.36Å; M386-Y397 WeakPolarHBondContact SD-CD1 3.22Å; M386-Y397 HydrophobicContact SD-CE1 3.48Å; M386-Y397 WeakPolarHBondContact SD-CE1 3.38Å; M386-Y397 HydrophobicContact SD-CG 4.26Å; Y397-A406 PolarHBondContact N-O 2.82Å; Y397-A406 PolarHBondContact O-N 2.81Å; Y397-P409 HydrophobicContact CE1-CB 4.42Å; Y397-P409 HydrophobicContact CE2-CB 4.45Å; Y397-P409 HydrophobicContact CE2-CG 4.5Å
398	P	83.7	Confident	72	Confident	45 Å²	45	96.3 Å²	96.3	29%	0.292	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	149.6	-178.5	31	-35.2	0	0	0	112.3	V405 L412	P398-V405 HydrophobicContact CB-CG2 4.31Å; P398-L412 VanDerWaalsContact O-CD2 3.23Å; P398-L412 WeakPolarHBondContact O-CD2 3.14Å
399	C	88.4	Confident	73.5	Confident	14 Å²	14	90.3 Å²	90.3	10%	0.095	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	137.1	171.8	-175.3	0	0	0	0	111.7	S401 C402 Y404 L412 H415 H419	C399-S401 PolarHBondContact O-N 2.71Å; C399-S401 VanDerWaalsContact O-N 3.14Å; C399-S401 PolarHBondContact SG-N 2.7Å; C399-C402 WeakPolarHBondContact CB-O 3.19Å; C399-Y404 WeakPolarHBondContact CB-O 3.38Å; C399-Y404 PolarHBondContact N-O 3.38Å; C399-L412 HydrophobicContact CB-CD1 3.76Å; C399-H415 PolarHBondContact SG-CD2 3.42Å; C399-H415 PolarHBondContact SG-NE2 3.26Å; C399-H415 VanDerWaalsContact SG-NE2 3.44Å; C399-H419 VanDerWaalsContact SG-CD2 3.53Å; C399-H419 PolarHBondContact SG-NE2 3.38Å
400	P	82.8	Confident	74.8	Confident	64 Å²	64	92.7 Å²	92.7	42%	0.416	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	4.9	175	31.6	-38	0	0	0	114.4	L385 I416	L385-P400 HydrophobicContact CD1-CB 4.46Å; P400-I416 HydrophobicContact CG-CD1 4.37Å
401	S	82.2	Confident	76.4	Confident	66 Å²	66	90.4 Å²	90.4	46%	0.462	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.3	-1.6	-173	-50.1	0	0	0	0	114.8	C399 H419	C399-S401 PolarHBondContact O-N 2.71Å; C399-S401 VanDerWaalsContact O-N 3.14Å; C399-S401 PolarHBondContact SG-N 2.7Å; S401-H419 PolarHBondContact O-CE1 3.33Å
402	C	88.7	Confident	78.3	Confident	43 Å²	43	81.3 Å²	81.3	29%	0.291	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	171.7	165.3	68	0	0	0	0	110.8	C399 Y404 H415 H419	C399-C402 WeakPolarHBondContact CB-O 3.19Å; C402-Y404 PolarHBondContact O-N 3.02Å; C402-H415 PolarHBondContact SG-NE2 3.39Å; C402-H415 VanDerWaalsContact SG-NE2 3.35Å; C402-H419 WeakPolarHBondContact CB-CE1 3.21Å; C402-H419 PolarHBondContact SG-CE1 3.36Å; C402-H419 PolarHBondContact SG-NE2 3.3Å
403	D	88.1	Confident	80.3	Confident	167 Å²	167	78.7 Å²	78.7	89%	0.893	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	13.4	-174	-38.8	-65.9	0	0	0	115	V405	D403-V405 PolarHBondContact O-N 3.35Å
404	Y	87.6	Confident	82	Confident	92 Å²	92	74.3 Å²	74.3	36%	0.361	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	116.8	179.5	-178.5	-99.8	0	0	0	111.7	C399 C402 A406 H415	C399-Y404 WeakPolarHBondContact CB-O 3.38Å; C399-Y404 PolarHBondContact N-O 3.38Å; C402-Y404 PolarHBondContact O-N 3.02Å; Y404-A406 HydrophobicContact CD1-CB 4.44Å; Y404-A406 HydrophobicContact CE1-CB 3.75Å; Y404-H415 WeakPolarHBondContact CB-CE1 3.05Å; Y404-H415 HydrophobicContact CD1-CB 3.91Å; Y404-H415 AromaticContact CD1-CD2 3.76Å; Y404-H415 AromaticContact CD1-CE1 3.55Å; Y404-H415 AromaticContact CD1-CG 3.3Å; Y404-H415 AromaticContact CD1-ND1 3.15Å; Y404-H415 WeakPolarHBondContact CD1-ND1 3.29Å; Y404-H415 AromaticContact CD1-NE2 3.92Å; Y404-H415 HydrophobicContact CE1-CB 3.79Å; Y404-H415 AromaticContact CE1-CG 3.69Å; Y404-H415 AromaticContact CE1-ND1 3.62Å; Y404-H415 AromaticContact CG-CE1 3.48Å; Y404-H415 VanDerWaalsContact CG-CE1 3.48Å; Y404-H415 AromaticContact CG-ND1 3.46Å
405	V	88.3	Confident	83.5	Confident	82 Å²	82	69.4 Å²	69.4	50%	0.497	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	119.5	172.3	-174.5	0	0	0	0	110	P398 D403	P398-V405 HydrophobicContact CB-CG2 4.31Å; D403-V405 PolarHBondContact O-N 3.35Å
406	A	86.5	Confident	84.4	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.008	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	139.1	179.1	0	0	0	0	0	111.4	G396 Y397 Y404 W408 E411 L412	G396-A406 CarbonylContact C-O 3.52Å; G396-A406 VanDerWaalsContact CA-O 3.28Å; G396-A406 WeakPolarHBondContact CA-O 3.25Å; Y397-A406 PolarHBondContact N-O 2.82Å; Y397-A406 PolarHBondContact O-N 2.81Å; Y404-A406 HydrophobicContact CD1-CB 4.44Å; Y404-A406 HydrophobicContact CE1-CB 3.75Å; A406-W408 PolarHBondContact O-N 3.25Å; A406-E411 HydrophobicContact CB-CB 4.22Å; A406-L412 HydrophobicContact CB-CB 3.75Å
407	K	85.9	Confident	84.5	Confident	135 Å²	135	64.5 Å²	64.5	59%	0.587	33%	0.329	S	S	*	.	S	Bend	trans	-66.2	-23.1	174.3	-175.1	168.3	-179.5	171.3	0	113.6
408	W	83.5	Confident	84.7	Confident	157 Å²	157	65.7 Å²	65.7	60%	0.595	34%	0.343	S	S	*	.	S	Bend	trans	-138.1	148.5	-171.3	-59	115.2	0	0	0	111.8	A406 T410 E411 L412	A406-W408 PolarHBondContact O-N 3.25Å; W408-T410 VanDerWaalsContact C-N 3.27Å; W408-T410 PolarHBondContact O-N 3.38Å; W408-E411 HydrophobicContact CB-CB 4.44Å; W408-E411 PolarHBondContact O-N 3.43Å; W408-L412 PolarHBondContact O-N 3.26Å; W408-L412 VanDerWaalsContact O-N 3.14Å
409	P	81.9	Confident	84.8	Confident	47 Å²	47	67.5 Å²	67.5	31%	0.305	35%	0.347	S	S	.	.	H	α-helix	trans	-65.1	-33.8	-176.5	28.6	-36.7	0	0	0	112.1	M386 Y397 E411 L412 Q413	M386-P409 HydrophobicContact CE-CB 3.56Å; M386-P409 HydrophobicContact SD-CB 3.47Å; M386-P409 WeakPolarHBondContact SD-CB 3.28Å; Y397-P409 HydrophobicContact CE1-CB 4.42Å; Y397-P409 HydrophobicContact CE2-CB 4.45Å; Y397-P409 HydrophobicContact CE2-CG 4.5Å; P409-E411 VanDerWaalsContact C-N 3.27Å; P409-E411 PolarHBondContact O-N 2.87Å; P409-L412 PolarHBondContact O-N 2.92Å; P409-Q413 WeakPolarHBondContact O-CB 3.48Å; P409-Q413 PolarHBondContact O-N 3.47Å
410	T	80.7	Confident	84.3	Confident	83 Å²	83	68 Å²	68	51%	0.509	35%	0.351	S	S	.	.	H	α-helix	trans	-69.2	-21.7	175.6	54.6	0	0	0	0	113.4	W408 K414	W408-T410 VanDerWaalsContact C-N 3.27Å; W408-T410 PolarHBondContact O-N 3.38Å; T410-K414 WeakPolarHBondContact O-CE 3.4Å; T410-K414 WeakPolarHBondContact O-CG 3.15Å; T410-K414 PolarHBondContact O-N 3.23Å
411	E	83	Confident	84.1	Confident	73 Å²	73	74.3 Å²	74.3	34%	0.341	37%	0.372	S	S	.	.	H	α-helix	trans	-86.8	-38	175.5	-162.3	64	-158.3	0	0	110.8	A406 W408 P409 Q413 K414 H415	A406-E411 HydrophobicContact CB-CB 4.22Å; W408-E411 HydrophobicContact CB-CB 4.44Å; W408-E411 PolarHBondContact O-N 3.43Å; P409-E411 VanDerWaalsContact C-N 3.27Å; P409-E411 PolarHBondContact O-N 2.87Å; E411-Q413 VanDerWaalsContact C-N 3.31Å; E411-Q413 PolarHBondContact O-N 2.73Å; E411-K414 PolarHBondContact O-N 3.14Å; E411-K414 IonicContact OE2-NZ 2.65Å; E411-K414 PolarHBondContact OE2-NZ 3.37Å; E411-H415 WeakPolarHBondContact O-CB 3.26Å; E411-H415 PolarHBondContact O-N 3.34Å
412	L	85.8	Confident	83.8	Confident	1 Å²	1	75.8 Å²	75.8	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-60.5	-41.4	169.9	179.9	55.9	0	0	0	111.7	M382 M386 P398 C399 A406 W408 P409 K414 H415 I416	M382-L412 HydrophobicContact CE-CB 4.22Å; M382-L412 HydrophobicContact CE-CD2 3.97Å; M382-L412 HydrophobicContact CE-CG 3.8Å; M382-L412 HydrophobicContact SD-CD2 3.37Å; M382-L412 WeakPolarHBondContact SD-CD2 3.49Å; M382-L412 HydrophobicContact SD-CG 3.67Å; M386-L412 HydrophobicContact CE-CB 4.46Å; M386-L412 HydrophobicContact CE-CD2 3.93Å; P398-L412 VanDerWaalsContact O-CD2 3.23Å; P398-L412 WeakPolarHBondContact O-CD2 3.14Å; C399-L412 HydrophobicContact CB-CD1 3.76Å; A406-L412 HydrophobicContact CB-CB 3.75Å; W408-L412 PolarHBondContact O-N 3.26Å; W408-L412 VanDerWaalsContact O-N 3.14Å; P409-L412 PolarHBondContact O-N 2.92Å; L412-K414 VanDerWaalsContact C-N 3.32Å; L412-K414 PolarHBondContact O-N 3.25Å; L412-H415 WeakPolarHBondContact O-CB 3.45Å; L412-H415 PolarHBondContact O-N 3.28Å; L412-H415 VanDerWaalsContact O-N 3.08Å; L412-I416 HydrophobicContact CD1-CD1 4.01Å; L412-I416 HydrophobicContact CD1-CG1 4.02Å; L412-I416 HydrophobicContact CG-CD1 4Å; L412-I416 HydrophobicContact CG-CG1 4.45Å; L412-I416 PolarHBondContact O-N 2.97Å
413	Q	81.9	Confident	83.5	Confident	76 Å²	76	80.9 Å²	80.9	36%	0.355	38%	0.384	S	S	.	.	H	α-helix	trans	-62.2	-36.5	177.1	-164.6	179.7	23.6	0	0	112.8	M382 P409 E411	M382-Q413 HydrophobicContact CE-CB 4.15Å; P409-Q413 WeakPolarHBondContact O-CB 3.48Å; P409-Q413 PolarHBondContact O-N 3.47Å; E411-Q413 VanDerWaalsContact C-N 3.31Å; E411-Q413 PolarHBondContact O-N 2.73Å
414	K	83.8	Confident	83.1	Confident	92 Å²	92	74.7 Å²	74.7	40%	0.4	35%	0.353	S	S	.	.	H	α-helix	trans	-70.7	-36.8	171.1	-68.3	171.6	-146.3	157.7	0	112.3	T410 E411 L412 M417	T410-K414 WeakPolarHBondContact O-CE 3.4Å; T410-K414 WeakPolarHBondContact O-CG 3.15Å; T410-K414 PolarHBondContact O-N 3.23Å; E411-K414 PolarHBondContact O-N 3.14Å; E411-K414 IonicContact OE2-NZ 2.65Å; E411-K414 PolarHBondContact OE2-NZ 3.37Å; L412-K414 VanDerWaalsContact C-N 3.32Å; L412-K414 PolarHBondContact O-N 3.25Å; K414-M417 WeakPolarHBondContact O-CB 3.42Å; K414-M417 PolarHBondContact O-N 2.56Å
415	H	86.3	Confident	82.8	Confident	27 Å²	27	71.1 Å²	71.1	13%	0.125	34%	0.34	C	S	.	.	H	α-helix	trans	-65.8	-42.2	179.8	172.2	89.6	0	0	0	111.5	C399 C402 Y404 E411 L412 M417 V418 H419	C399-H415 PolarHBondContact SG-CD2 3.42Å; C399-H415 PolarHBondContact SG-NE2 3.26Å; C399-H415 VanDerWaalsContact SG-NE2 3.44Å; C402-H415 PolarHBondContact SG-NE2 3.39Å; C402-H415 VanDerWaalsContact SG-NE2 3.35Å; Y404-H415 WeakPolarHBondContact CB-CE1 3.05Å; Y404-H415 HydrophobicContact CD1-CB 3.91Å; Y404-H415 AromaticContact CD1-CD2 3.76Å; Y404-H415 AromaticContact CD1-CE1 3.55Å; Y404-H415 AromaticContact CD1-CG 3.3Å; Y404-H415 AromaticContact CD1-ND1 3.15Å; Y404-H415 WeakPolarHBondContact CD1-ND1 3.29Å; Y404-H415 AromaticContact CD1-NE2 3.92Å; Y404-H415 HydrophobicContact CE1-CB 3.79Å; Y404-H415 AromaticContact CE1-CG 3.69Å; Y404-H415 AromaticContact CE1-ND1 3.62Å; Y404-H415 AromaticContact CG-CE1 3.48Å; Y404-H415 VanDerWaalsContact CG-CE1 3.48Å; Y404-H415 AromaticContact CG-ND1 3.46Å; E411-H415 WeakPolarHBondContact O-CB 3.26Å; E411-H415 PolarHBondContact O-N 3.34Å; L412-H415 WeakPolarHBondContact O-CB 3.45Å; L412-H415 PolarHBondContact O-N 3.28Å; L412-H415 VanDerWaalsContact O-N 3.08Å; H415-M417 PolarHBondContact O-N 2.77Å; H415-M417 VanDerWaalsContact O-N 3.15Å; H415-V418 WeakPolarHBondContact O-CA 3.46Å; H415-V418 WeakPolarHBondContact O-CB 3.38Å; H415-V418 WeakPolarHBondContact O-CG2 3.4Å; H415-V418 PolarHBondContact O-N 3.47Å; H415-H419 AromaticContact CD2-NE2 3.19Å; H415-H419 PolarHBondContact CD2-NE2 3.08Å; H415-H419 AromaticContact CE1-NE2 3.29Å; H415-H419 PolarHBondContact CE1-NE2 3.43Å; H415-H419 VanDerWaalsContact CE1-NE2 3.29Å; H415-H419 AromaticContact NE2-CD2 3.84Å; H415-H419 AromaticContact NE2-NE2 2.29Å; H415-H419 PolarHBondContact NE2-NE2 3.01Å
416	I	83.1	Confident	82.5	Confident	4 Å²	4	75 Å²	75	2%	0.021	35%	0.346	C	S	.	.	H	α-helix	trans	-60.5	-28.1	-179.5	-75.9	169.9	0	0	0	112.8	I374 M382 P400 L412 V418 H419 S420	I374-I416 HydrophobicContact CG2-CG2 4.06Å; M382-I416 HydrophobicContact CE-CD1 3.99Å; M382-I416 HydrophobicContact CG-CD1 3.32Å; M382-I416 HydrophobicContact SD-CD1 3.36Å; M382-I416 WeakPolarHBondContact SD-CD1 3.27Å; P400-I416 HydrophobicContact CG-CD1 4.37Å; L412-I416 HydrophobicContact CD1-CD1 4.01Å; L412-I416 HydrophobicContact CD1-CG1 4.02Å; L412-I416 HydrophobicContact CG-CD1 4Å; L412-I416 HydrophobicContact CG-CG1 4.45Å; L412-I416 PolarHBondContact O-N 2.97Å; I416-V418 PolarHBondContact O-N 2.98Å; I416-H419 PolarHBondContact O-N 3.42Å; I416-S420 PolarHBondContact O-N 3.09Å
417	M	82.7	Confident	82.4	Confident	27 Å²	27	75 Å²	75	13%	0.133	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-13.4	169	-63.5	-77.6	-65.1	0	0	113.4	I374 K414 H415 P424 K435	I374-M417 HydrophobicContact CD1-CG 4.19Å; I374-M417 HydrophobicContact CD1-SD 3.63Å; I374-M417 HydrophobicContact CG1-SD 3.52Å; I374-M417 VanDerWaalsContact CG1-SD 3.52Å; K414-M417 WeakPolarHBondContact O-CB 3.42Å; K414-M417 PolarHBondContact O-N 2.56Å; H415-M417 PolarHBondContact O-N 2.77Å; H415-M417 VanDerWaalsContact O-N 3.15Å; M417-P424 HydrophobicContact CE-CG 4.33Å; M417-K435 VanDerWaalsContact CB-CE 3.47Å; M417-K435 HydrophobicContact CE-CG 4.38Å; M417-K435 WeakPolarHBondContact O-CE 3.32Å; M417-K435 PolarHBondContact O-NZ 2.83Å
418	V	83.8	Confident	82	Confident	84 Å²	84	72 Å²	72	51%	0.509	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-36.3	172.1	-178	0	0	0	0	111.6	H415 I416 K435	H415-V418 WeakPolarHBondContact O-CA 3.46Å; H415-V418 WeakPolarHBondContact O-CB 3.38Å; H415-V418 WeakPolarHBondContact O-CG2 3.4Å; H415-V418 PolarHBondContact O-N 3.47Å; I416-V418 PolarHBondContact O-N 2.98Å; V418-K435 VanDerWaalsContact N-NZ 3.11Å
419	H	85	Confident	81.5	Confident	82 Å²	82	68 Å²	68	38%	0.38	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-31.2	177.1	-56.6	-63	0	0	0	111.7	C399 S401 C402 H415 I416 K421	C399-H419 VanDerWaalsContact SG-CD2 3.53Å; C399-H419 PolarHBondContact SG-NE2 3.38Å; S401-H419 PolarHBondContact O-CE1 3.33Å; C402-H419 WeakPolarHBondContact CB-CE1 3.21Å; C402-H419 PolarHBondContact SG-CE1 3.36Å; C402-H419 PolarHBondContact SG-NE2 3.3Å; H415-H419 AromaticContact CD2-NE2 3.19Å; H415-H419 PolarHBondContact CD2-NE2 3.08Å; H415-H419 AromaticContact CE1-NE2 3.29Å; H415-H419 PolarHBondContact CE1-NE2 3.43Å; H415-H419 VanDerWaalsContact CE1-NE2 3.29Å; H415-H419 AromaticContact NE2-CD2 3.84Å; H415-H419 AromaticContact NE2-NE2 2.29Å; H415-H419 PolarHBondContact NE2-NE2 3.01Å; I416-H419 PolarHBondContact O-N 3.42Å; H419-K421 PolarHBondContact O-N 3.1Å
420	S	79.2	Confident	81.7	Confident	26 Å²	26	68.4 Å²	68.4	18%	0.182	33%	0.328	C	S	.	.			trans	-67.4	123.5	169.7	-171.9	0	0	0	0	111.3	T373 I416 Q422	T373-S420 PolarHBondContact O-OG 2.87Å; I416-S420 PolarHBondContact O-N 3.09Å; S420-Q422 PolarHBondContact O-N 3.4Å; S420-Q422 VanDerWaalsContact O-N 3.17Å; S420-Q422 VanDerWaalsContact OG-CB 3.28Å; S420-Q422 WeakPolarHBondContact OG-CB 3.49Å; S420-Q422 WeakPolarHBondContact OG-CG 3.48Å; S420-Q422 PolarHBondContact OG-N 3.17Å
421	K	78.5	Confident	81.8	Confident	196 Å²	196	65.5 Å²	65.5	85%	0.852	32%	0.315	S	S	*	.			trans	-67.3	-9.5	173.2	-64	178.9	-179.7	175.8	0	112.9	H419	H419-K421 PolarHBondContact O-N 3.1Å
422	Q	76.2	Confident	81.9	Confident	97 Å²	97	66.3 Å²	66.3	45%	0.453	32%	0.321	S	S	.	.			trans	-79.5	147.3	-164.6	-63.4	-84.3	17.5	0	0	113.4	T373 S420	T373-Q422 HydrophobicContact CG2-CG 4.28Å; T373-Q422 WeakPolarHBondContact O-CB 3.5Å; T373-Q422 WeakPolarHBondContact O-CG 3.48Å; S420-Q422 PolarHBondContact O-N 3.4Å; S420-Q422 VanDerWaalsContact O-N 3.17Å; S420-Q422 VanDerWaalsContact OG-CB 3.28Å; S420-Q422 WeakPolarHBondContact OG-CB 3.49Å; S420-Q422 WeakPolarHBondContact OG-CG 3.48Å; S420-Q422 PolarHBondContact OG-N 3.17Å
423	R	81.6	Confident	81.9	Confident	149 Å²	149	68.6 Å²	68.6	56%	0.562	34%	0.337	S	S	*	.			trans	-136	72.7	-169.9	-72.3	169.5	139	84.3	-6.8	110.7	H425 S433 Y434	R423-H425 PolarHBondContact O-N 3.31Å; R423-S433 VanDerWaalsContact CD-O 3.22Å; R423-S433 WeakPolarHBondContact CD-O 3.36Å; R423-S433 PolarHBondContact NE-O 3.14Å; R423-S433 WeakPolarHBondContact O-CB 3.48Å; R423-Y434 CarbonylContact C-O 3.14Å; R423-Y434 WeakPolarHBondContact CA-O 3.41Å
424	P	78.8	Confident	82.1	Confident	37 Å²	37	67.4 Å²	67.4	24%	0.24	33%	0.33	C	S	.	.			trans	-71.2	-2.3	-168.5	29.2	-37.1	0	0	0	115.1	M417	M417-P424 HydrophobicContact CE-CG 4.33Å
425	H	82.5	Confident	82.1	Confident	18 Å²	18	64.8 Å²	64.8	8%	0.083	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	80.7	-176.9	-60	-54.7	0	0	0	111	R423 Y434 W436 K437 L440	R423-H425 PolarHBondContact O-N 3.31Å; H425-Y434 WeakPolarHBondContact CB-O 3.19Å; H425-Y434 PolarHBondContact N-O 2.87Å; H425-Y434 WeakPolarHBondContact O-CB 3.43Å; H425-Y434 PolarHBondContact O-N 3.21Å; H425-W436 VanDerWaalsContact CD2-CA 3.47Å; H425-W436 WeakPolarHBondContact CD2-CA 3.39Å; H425-K437 PolarHBondContact CD2-N 3.43Å; H425-K437 PolarHBondContact NE2-N 3.34Å; H425-L440 HydrophobicContact CB-CB 4.09Å; H425-L440 HydrophobicContact CB-CD2 3.72Å
426	R	80.9	Confident	82.1	Confident	162 Å²	162	67 Å²	67	61%	0.611	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	142.4	176.5	-160.6	177	-172.2	-161.1	-0.4	112.2	G431 L432 L440 Y455	R426-G431 VanDerWaalsContact CG-O 3.26Å; R426-G431 WeakPolarHBondContact CG-O 3.5Å; R426-G431 PolarHBondContact NE-O 3.25Å; R426-G431 VanDerWaalsContact NE-O 3.07Å; R426-L432 CarbonylContact C-O 3.59Å; R426-L440 WeakPolarHBondContact O-CD2 3.47Å; R426-Y455 PolarHBondContact O-OH 3.09Å
427	C	84.6	Confident	82.1	Confident	1 Å²	1	70.4 Å²	70.4	1%	0.007	34%	0.34	C	S	.	.			trans	-85	132.5	168.3	-175.4	0	0	0	0	111.7	I429 G431 L432 L440 H443 H448	C427-I429 PolarHBondContact O-N 3.45Å; C427-G431 WeakPolarHBondContact O-CA 3.35Å; C427-G431 PolarHBondContact O-N 3.45Å; C427-L432 PolarHBondContact N-O 3.14Å; C427-L440 HydrophobicContact CB-CD1 3.62Å; C427-H443 WeakPolarHBondContact CB-NE2 3.45Å; C427-H443 PolarHBondContact SG-NE2 3.31Å; C427-H448 VanDerWaalsContact SG-CD2 3.52Å
428	I	78.1	Confident	82.2	Confident	74 Å²	74	76.3 Å²	76.3	38%	0.379	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-21.8	-180	55.8	163	0	0	0	114.7	E362 F444 P454 Y455	E362-I428 HydrophobicContact CG-CG2 4.15Å; E362-I428 WeakPolarHBondContact OE1-CG2 3.22Å; E362-I428 WeakPolarHBondContact OE2-CG2 3.16Å; I428-F444 HydrophobicContact CG1-CE2 4.19Å; I428-P454 HydrophobicContact CD1-CG 4.18Å; I428-Y455 WeakPolarHBondContact CG1-OH 3.25Å; I428-Y455 VanDerWaalsContact CG2-OH 3.24Å; I428-Y455 WeakPolarHBondContact CG2-OH 3.37Å; I428-Y455 PolarHBondContact N-OH 3.47Å; I428-Y455 VanDerWaalsContact N-OH 3.08Å
429	I	73.9	Confident	82.4	Confident	73 Å²	73	73.4 Å²	73.4	37%	0.374	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-40	-176.5	-64.7	168.8	0	0	0	112.7	C427 F444 H448 T451	C427-I429 PolarHBondContact O-N 3.45Å; I429-F444 HydrophobicContact CD1-CE1 4.45Å; I429-F444 HydrophobicContact CD1-CE2 3.59Å; I429-F444 HydrophobicContact CD1-CZ 3.52Å; I429-F444 HydrophobicContact CG1-CE2 4.21Å; I429-H448 HydrophobicContact CD1-CB 3.78Å; I429-H448 VanDerWaalsContact CG2-CE1 3.45Å; I429-H448 WeakPolarHBondContact CG2-CE1 3.24Å; I429-H448 WeakPolarHBondContact CG2-ND1 3.43Å; I429-T451 HydrophobicContact CD1-CG2 3.94Å; I429-T451 VanDerWaalsContact CD1-OG1 3.23Å; I429-T451 WeakPolarHBondContact CD1-OG1 3.37Å
430	C	84.4	Confident	82.5	Confident	54 Å²	54	69.5 Å²	69.5	37%	0.365	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	0.9	-178.7	64.9	0	0	0	0	114.5	L432 H443 H448	C430-L432 HydrophobicContact CB-CG 4.43Å; C430-L432 PolarHBondContact O-N 2.87Å; C430-L432 VanDerWaalsContact SG-CG 3.58Å; C430-H443 PolarHBondContact SG-CE1 3.3Å; C430-H443 PolarHBondContact SG-NE2 3.18Å; C430-H448 PolarHBondContact SG-NE2 2.99Å
431	G	83	Confident	82.9	Confident	23 Å²	23	68.5 Å²	68.5	24%	0.237	32%	0.319	C	S	.	.			trans	68.6	-2.3	-178.3	0	0	0	0	0	115.7	R426 C427 S433	R426-G431 VanDerWaalsContact CG-O 3.26Å; R426-G431 WeakPolarHBondContact CG-O 3.5Å; R426-G431 PolarHBondContact NE-O 3.25Å; R426-G431 VanDerWaalsContact NE-O 3.07Å; C427-G431 WeakPolarHBondContact O-CA 3.35Å; C427-G431 PolarHBondContact O-N 3.45Å; G431-S433 PolarHBondContact O-N 3.03Å
432	L	84.9	Confident	83.2	Confident	90 Å²	90	65.3 Å²	65.3	47%	0.471	30%	0.301	S	S	.	.			trans	-65.3	130.3	-177.6	-71.6	176.8	0	0	0	112	R426 C427 C430 Y434	R426-L432 CarbonylContact C-O 3.59Å; C427-L432 PolarHBondContact N-O 3.14Å; C430-L432 HydrophobicContact CB-CG 4.43Å; C430-L432 PolarHBondContact O-N 2.87Å; C430-L432 VanDerWaalsContact SG-CG 3.58Å; L432-Y434 HydrophobicContact CB-CE2 3.76Å; L432-Y434 WeakPolarHBondContact O-CD2 3.44Å
433	S	86.1	Confident	83.8	Confident	49 Å²	49	61.2 Å²	61.2	34%	0.343	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	126.2	-176	-63.2	0	0	0	0	112.5	R423 G431	R423-S433 VanDerWaalsContact CD-O 3.22Å; R423-S433 WeakPolarHBondContact CD-O 3.36Å; R423-S433 PolarHBondContact NE-O 3.14Å; R423-S433 WeakPolarHBondContact O-CB 3.48Å; G431-S433 PolarHBondContact O-N 3.03Å
434	Y	86.1	Confident	83.9	Confident	51 Å²	51	54.3 Å²	54.3	20%	0.2	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	151.4	179.3	-65.1	-84.7	0	0	0	111.9	R423 H425 L432 D439 L440 H443	R423-Y434 CarbonylContact C-O 3.14Å; R423-Y434 WeakPolarHBondContact CA-O 3.41Å; H425-Y434 WeakPolarHBondContact CB-O 3.19Å; H425-Y434 PolarHBondContact N-O 2.87Å; H425-Y434 WeakPolarHBondContact O-CB 3.43Å; H425-Y434 PolarHBondContact O-N 3.21Å; L432-Y434 HydrophobicContact CB-CE2 3.76Å; L432-Y434 WeakPolarHBondContact O-CD2 3.44Å; Y434-D439 HydrophobicContact CD1-CB 3.87Å; Y434-D439 HydrophobicContact CG-CB 4.3Å; Y434-L440 HydrophobicContact CD2-CB 4.05Å; Y434-L440 HydrophobicContact CD2-CD1 3.95Å; Y434-L440 HydrophobicContact CE2-CD1 4.45Å; Y434-L440 HydrophobicContact CG-CB 4.24Å; Y434-H443 HydrophobicContact CE1-CB 4.05Å; Y434-H443 HydrophobicContact CE2-CB 3.8Å; Y434-H443 AromaticContact CE2-CD2 3.32Å; Y434-H443 WeakPolarHBondContact CE2-CD2 3.49Å; Y434-H443 AromaticContact CE2-CG 3.49Å; Y434-H443 VanDerWaalsContact CE2-CG 3.49Å; Y434-H443 AromaticContact CZ-CD2 3.81Å; Y434-H443 AromaticContact CZ-CG 3.45Å; Y434-H443 VanDerWaalsContact CZ-CG 3.45Å; Y434-H443 PolarHBondContact OH-ND1 3.23Å
435	K	84.7	Confident	84.1	Confident	37 Å²	37	55.7 Å²	55.7	16%	0.161	26%	0.262	C	S	.	.	S	Bend	trans	-76.6	-30.3	179.2	178.5	-178.9	166.3	175.6	0	113.3	M417 V418	M417-K435 VanDerWaalsContact CB-CE 3.47Å; M417-K435 HydrophobicContact CE-CG 4.38Å; M417-K435 WeakPolarHBondContact O-CE 3.32Å; M417-K435 PolarHBondContact O-NZ 2.83Å; V418-K435 VanDerWaalsContact N-NZ 3.11Å
436	W	85.5	Confident	84.2	Confident	73 Å²	73	62.2 Å²	62.2	28%	0.277	29%	0.29	S	S	.	.	S	Bend	trans	-135.2	140.1	-176.6	-61.3	-52.2	0	0	0	112.1	H425 W438 D439 L440	H425-W436 VanDerWaalsContact CD2-CA 3.47Å; H425-W436 WeakPolarHBondContact CD2-CA 3.39Å; W436-W438 HydrophobicContact CB-CD2 3.74Å; W436-W438 HydrophobicContact CB-CE3 4.16Å; W436-W438 HydrophobicContact CB-CG 4.29Å; W436-W438 HydrophobicContact CB-CH2 3.93Å; W436-W438 HydrophobicContact CB-CZ2 3.47Å; W436-W438 VanDerWaalsContact CB-CZ2 3.47Å; W436-W438 HydrophobicContact CB-CZ3 4.24Å; W436-W438 AromaticContact CD1-CH2 3.77Å; W436-W438 AromaticContact CD1-CZ2 3.74Å; W436-W438 AromaticContact CD2-CE2 3.88Å; W436-W438 HydrophobicContact CD2-CH2 4.18Å; W436-W438 AromaticContact CD2-CZ2 3.38Å; W436-W438 HydrophobicContact CD2-CZ2 3.38Å; W436-W438 AromaticContact CE2-CZ2 3.9Å; W436-W438 AromaticContact CE3-CZ2 3.82Å; W436-W438 HydrophobicContact CE3-CZ2 3.82Å; W436-W438 AromaticContact CE3-NE1 3.69Å; W436-W438 HydrophobicContact CG-CD2 4.46Å; W436-W438 AromaticContact CG-CE2 3.65Å; W436-W438 AromaticContact CG-CH2 3.71Å; W436-W438 HydrophobicContact CG-CH2 3.71Å; W436-W438 AromaticContact CG-CZ2 3.25Å; W436-W438 HydrophobicContact CG-CZ2 3.25Å; W436-W438 HydrophobicContact CG-CZ3 4.46Å; W436-W438 PolarHBondContact O-N 3.36Å; W436-W438 VanDerWaalsContact O-N 3.13Å; W436-D439 VanDerWaalsContact CE3-OD2 3.32Å; W436-D439 WeakPolarHBondContact O-CB 3.16Å; W436-D439 PolarHBondContact O-N 3Å; W436-L440 PolarHBondContact O-N 3.01Å
437	K	83.9	Confident	84.3	Confident	75 Å²	75	58 Å²	58	33%	0.326	29%	0.285	S	S	.	.	H	α-helix	trans	-59.5	-27.1	-175.8	-175.6	160.2	-176.7	154.2	0	114	H425 G441 Y455	H425-K437 PolarHBondContact CD2-N 3.43Å; H425-K437 PolarHBondContact NE2-N 3.34Å; K437-G441 PolarHBondContact O-N 3.37Å; K437-Y455 VanDerWaalsContact CE-O 3.26Å; K437-Y455 WeakPolarHBondContact CE-O 3.25Å
438	W	83.7	Confident	84.2	Confident	151 Å²	151	59.2 Å²	59.2	57%	0.572	29%	0.29	S	S	*	.	H	α-helix	trans	-73.2	-29.4	174.3	57.1	76.2	0	0	0	113.5	W436 R442	W436-W438 HydrophobicContact CB-CD2 3.74Å; W436-W438 HydrophobicContact CB-CE3 4.16Å; W436-W438 HydrophobicContact CB-CG 4.29Å; W436-W438 HydrophobicContact CB-CH2 3.93Å; W436-W438 HydrophobicContact CB-CZ2 3.47Å; W436-W438 VanDerWaalsContact CB-CZ2 3.47Å; W436-W438 HydrophobicContact CB-CZ3 4.24Å; W436-W438 AromaticContact CD1-CH2 3.77Å; W436-W438 AromaticContact CD1-CZ2 3.74Å; W436-W438 AromaticContact CD2-CE2 3.88Å; W436-W438 HydrophobicContact CD2-CH2 4.18Å; W436-W438 AromaticContact CD2-CZ2 3.38Å; W436-W438 HydrophobicContact CD2-CZ2 3.38Å; W436-W438 AromaticContact CE2-CZ2 3.9Å; W436-W438 AromaticContact CE3-CZ2 3.82Å; W436-W438 HydrophobicContact CE3-CZ2 3.82Å; W436-W438 AromaticContact CE3-NE1 3.69Å; W436-W438 HydrophobicContact CG-CD2 4.46Å; W436-W438 AromaticContact CG-CE2 3.65Å; W436-W438 AromaticContact CG-CH2 3.71Å; W436-W438 HydrophobicContact CG-CH2 3.71Å; W436-W438 AromaticContact CG-CZ2 3.25Å; W436-W438 HydrophobicContact CG-CZ2 3.25Å; W436-W438 HydrophobicContact CG-CZ3 4.46Å; W436-W438 PolarHBondContact O-N 3.36Å; W436-W438 VanDerWaalsContact O-N 3.13Å; W438-R442 VanDerWaalsContact O-CB 3.32Å; W438-R442 WeakPolarHBondContact O-CB 3.42Å; W438-R442 PolarHBondContact O-N 3.27Å
439	D	88	Confident	83.9	Confident	23 Å²	23	61.2 Å²	61.2	12%	0.123	30%	0.302	C	S	.	.	H	α-helix	trans	-72.3	-43.7	173.4	-70.7	-30	0	0	0	110.6	Y434 W436 G441 R442 H443	Y434-D439 HydrophobicContact CD1-CB 3.87Å; Y434-D439 HydrophobicContact CG-CB 4.3Å; W436-D439 VanDerWaalsContact CE3-OD2 3.32Å; W436-D439 WeakPolarHBondContact O-CB 3.16Å; W436-D439 PolarHBondContact O-N 3Å; D439-G441 VanDerWaalsContact C-N 3.34Å; D439-G441 PolarHBondContact O-N 2.85Å; D439-R442 PolarHBondContact O-N 3.27Å; D439-R442 IonicContact OD1-CZ 3.1Å; D439-R442 IonicContact OD1-NH1 2.7Å; D439-R442 PolarHBondContact OD1-NH1 3.43Å; D439-R442 IonicContact OD1-NH2 2.75Å; D439-R442 PolarHBondContact OD1-NH2 2.94Å; D439-H443 WeakPolarHBondContact O-CB 3.18Å; D439-H443 PolarHBondContact O-N 3.42Å
440	L	88.8	Confident	83.5	Confident	1 Å²	1	68 Å²	68	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-55.7	-48.9	171.3	171.4	57.7	0	0	0	111	H425 R426 C427 Y434 W436 R442 H443 F444 Y455	H425-L440 HydrophobicContact CB-CB 4.09Å; H425-L440 HydrophobicContact CB-CD2 3.72Å; R426-L440 WeakPolarHBondContact O-CD2 3.47Å; C427-L440 HydrophobicContact CB-CD1 3.62Å; Y434-L440 HydrophobicContact CD2-CB 4.05Å; Y434-L440 HydrophobicContact CD2-CD1 3.95Å; Y434-L440 HydrophobicContact CE2-CD1 4.45Å; Y434-L440 HydrophobicContact CG-CB 4.24Å; W436-L440 PolarHBondContact O-N 3.01Å; L440-R442 PolarHBondContact O-N 3.19Å; L440-H443 PolarHBondContact O-N 3.41Å; L440-F444 WeakPolarHBondContact O-CB 3.13Å; L440-F444 PolarHBondContact O-N 2.82Å; L440-Y455 HydrophobicContact CD1-CD2 3.94Å; L440-Y455 HydrophobicContact CD1-CE2 3.62Å; L440-Y455 HydrophobicContact CD2-CD1 3.6Å; L440-Y455 HydrophobicContact CD2-CD2 3.86Å; L440-Y455 HydrophobicContact CD2-CE1 3.59Å; L440-Y455 HydrophobicContact CD2-CE2 3.83Å; L440-Y455 HydrophobicContact CD2-CG 3.71Å; L440-Y455 HydrophobicContact CG-CD1 4.22Å; L440-Y455 HydrophobicContact CG-CD2 3.56Å; L440-Y455 HydrophobicContact CG-CE1 4.37Å; L440-Y455 HydrophobicContact CG-CE2 3.71Å; L440-Y455 HydrophobicContact CG-CG 3.8Å
441	G	85.8	Confident	82.5	Confident	5 Å²	5	67.7 Å²	67.7	5%	0.052	32%	0.319	C	S	.	.	H	α-helix	trans	-58.4	-45.8	175.1	0	0	0	0	0	113	K437 D439 F444 D445 N453	K437-G441 PolarHBondContact O-N 3.37Å; D439-G441 VanDerWaalsContact C-N 3.34Å; D439-G441 PolarHBondContact O-N 2.85Å; G441-F444 PolarHBondContact O-N 3.5Å; G441-D445 VanDerWaalsContact O-CG 3.28Å; G441-D445 PolarHBondContact O-N 2.75Å; G441-N453 PolarHBondContact O-ND2 2.91Å
442	R	86	Confident	81.7	Confident	128 Å²	128	70.8 Å²	70.8	48%	0.483	33%	0.329	S	S	.	.	H	α-helix	trans	-66.8	-34.5	177.6	-176.2	-174.9	68.4	-121.5	-7.5	112.8	W438 D439 L440 K446	W438-R442 VanDerWaalsContact O-CB 3.32Å; W438-R442 WeakPolarHBondContact O-CB 3.42Å; W438-R442 PolarHBondContact O-N 3.27Å; D439-R442 PolarHBondContact O-N 3.27Å; D439-R442 IonicContact OD1-CZ 3.1Å; D439-R442 IonicContact OD1-NH1 2.7Å; D439-R442 PolarHBondContact OD1-NH1 3.43Å; D439-R442 IonicContact OD1-NH2 2.75Å; D439-R442 PolarHBondContact OD1-NH2 2.94Å; L440-R442 PolarHBondContact O-N 3.19Å; R442-K446 WeakPolarHBondContact O-CG 3.38Å; R442-K446 PolarHBondContact O-N 2.9Å
443	H	87.9	Confident	81	Confident	12 Å²	12	67 Å²	67	6%	0.056	31%	0.309	C	S	.	.	H	α-helix	trans	-66.3	-49.7	173.9	148.8	67.1	0	0	0	110	C427 C430 Y434 D439 L440 D445 K446 S447 H448	C427-H443 WeakPolarHBondContact CB-NE2 3.45Å; C427-H443 PolarHBondContact SG-NE2 3.31Å; C430-H443 PolarHBondContact SG-CE1 3.3Å; C430-H443 PolarHBondContact SG-NE2 3.18Å; Y434-H443 HydrophobicContact CE1-CB 4.05Å; Y434-H443 HydrophobicContact CE2-CB 3.8Å; Y434-H443 AromaticContact CE2-CD2 3.32Å; Y434-H443 WeakPolarHBondContact CE2-CD2 3.49Å; Y434-H443 AromaticContact CE2-CG 3.49Å; Y434-H443 VanDerWaalsContact CE2-CG 3.49Å; Y434-H443 AromaticContact CZ-CD2 3.81Å; Y434-H443 AromaticContact CZ-CG 3.45Å; Y434-H443 VanDerWaalsContact CZ-CG 3.45Å; Y434-H443 PolarHBondContact OH-ND1 3.23Å; D439-H443 WeakPolarHBondContact O-CB 3.18Å; D439-H443 PolarHBondContact O-N 3.42Å; L440-H443 PolarHBondContact O-N 3.41Å; H443-D445 VanDerWaalsContact C-N 3.32Å; H443-D445 PolarHBondContact O-N 3.44Å; H443-K446 PolarHBondContact O-N 3.46Å; H443-S447 WeakPolarHBondContact CE1-CB 3.49Å; H443-S447 PolarHBondContact CE1-OG 3.45Å; H443-S447 WeakPolarHBondContact ND1-CB 3.42Å; H443-S447 PolarHBondContact ND1-OG 2.91Å; H443-S447 WeakPolarHBondContact O-CB 3.37Å; H443-S447 PolarHBondContact O-N 2.95Å; H443-S447 PolarHBondContact O-OG 3.13Å; H443-H448 AromaticContact CE1-CD2 3.81Å; H443-H448 AromaticContact CE1-NE2 3.41Å; H443-H448 PolarHBondContact CE1-NE2 3.03Å; H443-H448 AromaticContact NE2-CD2 3.59Å; H443-H448 AromaticContact NE2-NE2 3.4Å; H443-H448 PolarHBondContact NE2-NE2 3.43Å
444	F	84.5	Confident	80.2	Confident	4 Å²	4	67.5 Å²	67.5	2%	0.018	31%	0.311	C	S	.	.	H	α-helix	trans	-58.2	-44.3	-179.6	-163.2	-72.7	0	0	0	111.6	I428 I429 L440 G441 K446 H448 T451 M452 N453 P454 Y455	I428-F444 HydrophobicContact CG1-CE2 4.19Å; I429-F444 HydrophobicContact CD1-CE1 4.45Å; I429-F444 HydrophobicContact CD1-CE2 3.59Å; I429-F444 HydrophobicContact CD1-CZ 3.52Å; I429-F444 HydrophobicContact CG1-CE2 4.21Å; L440-F444 WeakPolarHBondContact O-CB 3.13Å; L440-F444 PolarHBondContact O-N 2.82Å; G441-F444 PolarHBondContact O-N 3.5Å; F444-K446 PolarHBondContact O-N 2.97Å; F444-K446 VanDerWaalsContact O-N 3.14Å; F444-H448 HydrophobicContact CD1-CB 4.05Å; F444-H448 HydrophobicContact CD2-CB 4.37Å; F444-H448 HydrophobicContact CE1-CB 4.06Å; F444-H448 HydrophobicContact CE2-CB 4.43Å; F444-H448 HydrophobicContact CG-CB 4.22Å; F444-H448 HydrophobicContact CZ-CB 4.29Å; F444-H448 CarbonylContact O-C 3.25Å; F444-H448 VanDerWaalsContact O-C 3.25Å; F444-H448 VanDerWaalsContact O-CA 3.3Å; F444-H448 WeakPolarHBondContact O-CA 3.46Å; F444-H448 WeakPolarHBondContact O-CB 3.31Å; F444-H448 PolarHBondContact O-N 2.95Å; F444-T451 WeakPolarHBondContact CE1-OG1 3.44Å; F444-T451 VanDerWaalsContact CZ-OG1 3.22Å; F444-T451 WeakPolarHBondContact CZ-OG1 3.49Å; F444-M452 VanDerWaalsContact CE1-C 3.5Å; F444-M452 VanDerWaalsContact CE1-O 3.25Å; F444-M452 WeakPolarHBondContact CE1-O 3.44Å; F444-M452 WeakPolarHBondContact CZ-O 3.38Å; F444-N453 HydrophobicContact CD1-CB 3.65Å; F444-N453 VanDerWaalsContact CE1-CA 3.47Å; F444-N453 HydrophobicContact CE1-CB 4.11Å; F444-N453 HydrophobicContact CG-CB 4.36Å; F444-P454 HydrophobicContact CE2-CG 4.32Å; F444-Y455 HydrophobicContact CB-CD2 4.36Å; F444-Y455 HydrophobicContact CD2-CD2 4.03Å; F444-Y455 AromaticContact CD2-CE2 3.65Å; F444-Y455 HydrophobicContact CD2-CE2 3.65Å; F444-Y455 HydrophobicContact CE2-CE2 4.15Å; F444-Y455 HydrophobicContact CG-CD2 4.38Å; F444-Y455 HydrophobicContact CG-CE2 4.43Å
445	D	82.1	Confident	79.5	Confident	66 Å²	66	66 Å²	66	35%	0.353	31%	0.305	S	S	.	.	H	α-helix	trans	-54.6	-31	174.2	-73	-24.3	0	0	0	114.2	G441 H443 N453 K456	G441-D445 VanDerWaalsContact O-CG 3.28Å; G441-D445 PolarHBondContact O-N 2.75Å; H443-D445 VanDerWaalsContact C-N 3.32Å; H443-D445 PolarHBondContact O-N 3.44Å; D445-N453 PolarHBondContact OD1-ND2 3.39Å; D445-K456 VanDerWaalsContact OD1-CE 3.28Å; D445-K456 WeakPolarHBondContact OD1-CE 3.28Å; D445-K456 IonicContact OD1-NZ 2.56Å; D445-K456 PolarHBondContact OD1-NZ 3.35Å; D445-K456 WeakPolarHBondContact OD2-CE 3.15Å; D445-K456 IonicContact OD2-NZ 2.67Å; D445-K456 PolarHBondContact OD2-NZ 3.02Å
446	K	85.4	Confident	78.7	Confident	155 Å²	155	68.2 Å²	68.2	67%	0.674	32%	0.315	S	S	*	.	H	α-helix	trans	-98.5	-49.4	-173.3	-73	-173.9	171.8	-155.1	0	112.9	R442 H443 F444	R442-K446 WeakPolarHBondContact O-CG 3.38Å; R442-K446 PolarHBondContact O-N 2.9Å; H443-K446 PolarHBondContact O-N 3.46Å; F444-K446 PolarHBondContact O-N 2.97Å; F444-K446 VanDerWaalsContact O-N 3.14Å
447	S	83.5	Confident	77.4	Confident	72 Å²	72	72.8 Å²	72.8	50%	0.503	34%	0.336	S	S	.	.	H	α-helix	trans	-83.8	-25.2	-175.4	-59.1	0	0	0	0	112.6	H443	H443-S447 WeakPolarHBondContact CE1-CB 3.49Å; H443-S447 PolarHBondContact CE1-OG 3.45Å; H443-S447 WeakPolarHBondContact ND1-CB 3.42Å; H443-S447 PolarHBondContact ND1-OG 2.91Å; H443-S447 WeakPolarHBondContact O-CB 3.37Å; H443-S447 PolarHBondContact O-N 2.95Å; H443-S447 PolarHBondContact O-OG 3.13Å
448	H	81.8	Confident	75.8	Confident	27 Å²	27	74.6 Å²	74.6	13%	0.125	35%	0.35	C	S	.	.			trans	-127.6	37.2	-174.9	-53.7	-47.3	0	0	0	111.2	C427 I429 C430 H443 F444 R450 T451	C427-H448 VanDerWaalsContact SG-CD2 3.52Å; I429-H448 HydrophobicContact CD1-CB 3.78Å; I429-H448 VanDerWaalsContact CG2-CE1 3.45Å; I429-H448 WeakPolarHBondContact CG2-CE1 3.24Å; I429-H448 WeakPolarHBondContact CG2-ND1 3.43Å; C430-H448 PolarHBondContact SG-NE2 2.99Å; H443-H448 AromaticContact CE1-CD2 3.81Å; H443-H448 AromaticContact CE1-NE2 3.41Å; H443-H448 PolarHBondContact CE1-NE2 3.03Å; H443-H448 AromaticContact NE2-CD2 3.59Å; H443-H448 AromaticContact NE2-NE2 3.4Å; H443-H448 PolarHBondContact NE2-NE2 3.43Å; F444-H448 HydrophobicContact CD1-CB 4.05Å; F444-H448 HydrophobicContact CD2-CB 4.37Å; F444-H448 HydrophobicContact CE1-CB 4.06Å; F444-H448 HydrophobicContact CE2-CB 4.43Å; F444-H448 HydrophobicContact CG-CB 4.22Å; F444-H448 HydrophobicContact CZ-CB 4.29Å; F444-H448 CarbonylContact O-C 3.25Å; F444-H448 VanDerWaalsContact O-C 3.25Å; F444-H448 VanDerWaalsContact O-CA 3.3Å; F444-H448 WeakPolarHBondContact O-CA 3.46Å; F444-H448 WeakPolarHBondContact O-CB 3.31Å; F444-H448 PolarHBondContact O-N 2.95Å; H448-R450 PolarHBondContact O-N 3.34Å; H448-T451 WeakPolarHBondContact CB-OG1 3.36Å; H448-T451 PolarHBondContact O-N 2.89Å; H448-T451 PolarHBondContact O-OG1 2.57Å
449	N	73	Confident	74	Confident	117 Å²	117	69.7 Å²	69.7	63%	0.626	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-18.6	-178.9	65.9	-8.3	0	0	0	115.2	T451	N449-T451 VanDerWaalsContact C-N 3.29Å
450	R	64.7	Low	71.8	Confident	215 Å²	215	74.1 Å²	74.1	81%	0.811	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-6.3	172.9	-61.4	-174.4	-177.2	-173.1	-0.5	113.9	H448	H448-R450 PolarHBondContact O-N 3.34Å
451	T	62.6	Low	69.9	Low	48 Å²	48	77.4 Å²	77.4	29%	0.294	37%	0.372	S	S	.	.	S	Bend	trans	-125	156.8	-177.6	56.3	0	0	0	0	110.8	I429 F444 H448 N449	I429-T451 HydrophobicContact CD1-CG2 3.94Å; I429-T451 VanDerWaalsContact CD1-OG1 3.23Å; I429-T451 WeakPolarHBondContact CD1-OG1 3.37Å; F444-T451 WeakPolarHBondContact CE1-OG1 3.44Å; F444-T451 VanDerWaalsContact CZ-OG1 3.22Å; F444-T451 WeakPolarHBondContact CZ-OG1 3.49Å; H448-T451 WeakPolarHBondContact CB-OG1 3.36Å; H448-T451 PolarHBondContact O-N 2.89Å; H448-T451 PolarHBondContact O-OG1 2.57Å; N449-T451 VanDerWaalsContact C-N 3.29Å
452	M	66.3	Low	68	Low	87 Å²	87	83.2 Å²	83.2	43%	0.429	40%	0.398	S	S	.	.			trans	-84.2	135	-178.8	-68.2	-94.6	89	0	0	110.7	L344 N348 F444 P454	L344-M452 HydrophobicContact CB-CG 3.89Å; L344-M452 HydrophobicContact CB-SD 4.29Å; L344-M452 HydrophobicContact CD1-CE 4.29Å; L344-M452 HydrophobicContact CD1-CG 4.23Å; L344-M452 HydrophobicContact CD2-CG 4.12Å; L344-M452 HydrophobicContact CG-CG 4.32Å; N348-M452 WeakPolarHBondContact ND2-CB 3.48Å; N348-M452 WeakPolarHBondContact ND2-CG 3.36Å; N348-M452 PolarHBondContact ND2-SD 3.26Å; N348-M452 VanDerWaalsContact ND2-SD 3.38Å; N348-M452 WeakPolarHBondContact OD1-CB 3.35Å; N348-M452 WeakPolarHBondContact OD1-CG 3.24Å; F444-M452 VanDerWaalsContact CE1-C 3.5Å; F444-M452 VanDerWaalsContact CE1-O 3.25Å; F444-M452 WeakPolarHBondContact CE1-O 3.44Å; F444-M452 WeakPolarHBondContact CZ-O 3.38Å; M452-P454 WeakPolarHBondContact O-CD 3.29Å
453	N	71.5	Confident	66.2	Low	12 Å²	12	80 Å²	80	6%	0.064	39%	0.389	C	S	.	.			trans	-80.9	104.8	-169.6	-173.9	-19.4	0	0	0	112.4	G441 F444 D445 Y455 K456	G441-N453 PolarHBondContact O-ND2 2.91Å; F444-N453 HydrophobicContact CD1-CB 3.65Å; F444-N453 VanDerWaalsContact CE1-CA 3.47Å; F444-N453 HydrophobicContact CE1-CB 4.11Å; F444-N453 HydrophobicContact CG-CB 4.36Å; D445-N453 PolarHBondContact OD1-ND2 3.39Å; N453-Y455 PolarHBondContact O-N 3.45Å; N453-Y455 PolarHBondContact OD1-N 3.03Å; N453-Y455 VanDerWaalsContact OD1-N 3.15Å; N453-K456 HydrophobicContact CB-CD 4.22Å; N453-K456 HydrophobicContact CB-CG 4.44Å; N453-K456 PolarHBondContact O-N 3.41Å
454	P	69.3	Low	64.8	Low	58 Å²	58	83.8 Å²	83.8	38%	0.377	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-21.6	-175.7	32.1	-36.2	0	0	0	112	I428 F444 M452 K456	I428-P454 HydrophobicContact CD1-CG 4.18Å; F444-P454 HydrophobicContact CE2-CG 4.32Å; M452-P454 WeakPolarHBondContact O-CD 3.29Å; P454-K456 VanDerWaalsContact C-N 3.28Å; P454-K456 PolarHBondContact O-N 2.8Å
455	Y	71.3	Confident	63.3	Low	19 Å²	19	88.1 Å²	88.1	8%	0.075	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-12.3	-175.4	-50.1	-64.1	0	0	0	113.3	R426 I428 K437 L440 F444 N453	R426-Y455 PolarHBondContact O-OH 3.09Å; I428-Y455 WeakPolarHBondContact CG1-OH 3.25Å; I428-Y455 VanDerWaalsContact CG2-OH 3.24Å; I428-Y455 WeakPolarHBondContact CG2-OH 3.37Å; I428-Y455 PolarHBondContact N-OH 3.47Å; I428-Y455 VanDerWaalsContact N-OH 3.08Å; K437-Y455 VanDerWaalsContact CE-O 3.26Å; K437-Y455 WeakPolarHBondContact CE-O 3.25Å; L440-Y455 HydrophobicContact CD1-CD2 3.94Å; L440-Y455 HydrophobicContact CD1-CE2 3.62Å; L440-Y455 HydrophobicContact CD2-CD1 3.6Å; L440-Y455 HydrophobicContact CD2-CD2 3.86Å; L440-Y455 HydrophobicContact CD2-CE1 3.59Å; L440-Y455 HydrophobicContact CD2-CE2 3.83Å; L440-Y455 HydrophobicContact CD2-CG 3.71Å; L440-Y455 HydrophobicContact CG-CD1 4.22Å; L440-Y455 HydrophobicContact CG-CD2 3.56Å; L440-Y455 HydrophobicContact CG-CE1 4.37Å; L440-Y455 HydrophobicContact CG-CE2 3.71Å; L440-Y455 HydrophobicContact CG-CG 3.8Å; F444-Y455 HydrophobicContact CB-CD2 4.36Å; F444-Y455 HydrophobicContact CD2-CD2 4.03Å; F444-Y455 AromaticContact CD2-CE2 3.65Å; F444-Y455 HydrophobicContact CD2-CE2 3.65Å; F444-Y455 HydrophobicContact CE2-CE2 4.15Å; F444-Y455 HydrophobicContact CG-CD2 4.38Å; F444-Y455 HydrophobicContact CG-CE2 4.43Å; N453-Y455 PolarHBondContact O-N 3.45Å; N453-Y455 PolarHBondContact OD1-N 3.03Å; N453-Y455 VanDerWaalsContact OD1-N 3.15Å
456	K	66.8	Low	62.1	Low	85 Å²	85	89.7 Å²	89.7	37%	0.37	44%	0.436	S	S	.	.			trans	-81.2	115	174.1	-81.6	179.3	173.2	168.4	0	111.4	D445 N453 P454 N458	D445-K456 VanDerWaalsContact OD1-CE 3.28Å; D445-K456 WeakPolarHBondContact OD1-CE 3.28Å; D445-K456 IonicContact OD1-NZ 2.56Å; D445-K456 PolarHBondContact OD1-NZ 3.35Å; D445-K456 WeakPolarHBondContact OD2-CE 3.15Å; D445-K456 IonicContact OD2-NZ 2.67Å; D445-K456 PolarHBondContact OD2-NZ 3.02Å; N453-K456 HydrophobicContact CB-CD 4.22Å; N453-K456 HydrophobicContact CB-CG 4.44Å; N453-K456 PolarHBondContact O-N 3.41Å; P454-K456 VanDerWaalsContact C-N 3.28Å; P454-K456 PolarHBondContact O-N 2.8Å; K456-N458 PolarHBondContact O-N 3.07Å
457	K	57.9	Low	60.8	Low	168 Å²	168	85.8 Å²	85.8	73%	0.73	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-3.1	171.4	-67.4	-170.9	174.1	-171.9	0	115.2	N461	K457-N461 PolarHBondContact O-ND2 3.21Å
458	N	50.3	Low	59.7	Low	113 Å²	113	86.2 Å²	86.2	60%	0.604	42%	0.419	S	S	*	.	H	α-helix	trans	-90.1	-21	-171.1	-65.3	12.6	0	0	0	113.7	K456 H462	K456-N458 PolarHBondContact O-N 3.07Å; N458-H462 WeakPolarHBondContact O-CB 3.48Å; N458-H462 PolarHBondContact O-N 2.87Å
459	V	47.6	Very low	58.5	Low	48 Å²	48	93.8 Å²	93.8	29%	0.291	45%	0.446	S	S	.	.	H	α-helix	trans	-63.1	-60.1	-176.6	-176	0	0	0	0	110.7	N461 H462 I463	V459-N461 PolarHBondContact O-N 3.36Å; V459-H462 PolarHBondContact O-N 3.3Å; V459-I463 HydrophobicContact CG1-CD1 4.41Å; V459-I463 WeakPolarHBondContact O-CG1 3.37Å; V459-I463 PolarHBondContact O-N 2.77Å
460	F	40.1	Very low	58	Low	116 Å²	116	91.9 Å²	91.9	51%	0.509	44%	0.436	S	S	.	.	H	α-helix	trans	-60.9	-44.8	176.7	-79.9	-92.3	0	0	0	112.8	I352 H462 I463 Q464	I352-F460 HydrophobicContact CD1-CE2 4.03Å; I352-F460 HydrophobicContact CD1-CZ 3.79Å; I352-F460 HydrophobicContact CG1-CZ 4.11Å; I352-F460 HydrophobicContact CG2-CE1 4.32Å; I352-F460 HydrophobicContact CG2-CZ 3.91Å; F460-H462 PolarHBondContact O-N 3.44Å; F460-I463 PolarHBondContact O-N 3.1Å; F460-Q464 WeakPolarHBondContact O-CB 3.41Å; F460-Q464 WeakPolarHBondContact O-CG 3.24Å; F460-Q464 PolarHBondContact O-N 3.34Å
461	N	48.6	Very low	57.8	Low	70 Å²	70	88.7 Å²	88.7	37%	0.374	43%	0.428	S	S	.	.	H	α-helix	trans	-67.6	-33.3	-177.7	-79.4	-64.8	0	0	0	113.3	K457 V459 N465	K457-N461 PolarHBondContact O-ND2 3.21Å; V459-N461 PolarHBondContact O-N 3.36Å; N461-N465 VanDerWaalsContact O-CB 3.25Å; N461-N465 WeakPolarHBondContact O-CB 3.18Å; N461-N465 VanDerWaalsContact O-CG 3.3Å; N461-N465 PolarHBondContact O-N 2.97Å; N461-N465 PolarHBondContact O-ND2 3.45Å
462	H	46.2	Very low	57.8	Low	128 Å²	128	90.6 Å²	90.6	59%	0.593	44%	0.44	S	S	*	.	H	α-helix	trans	-69.6	-43	176.4	-169.4	-19.5	0	0	0	111.1	N458 V459 F460 N465 H466	N458-H462 WeakPolarHBondContact O-CB 3.48Å; N458-H462 PolarHBondContact O-N 2.87Å; V459-H462 PolarHBondContact O-N 3.3Å; F460-H462 PolarHBondContact O-N 3.44Å; H462-N465 PolarHBondContact O-N 3.39Å; H462-H466 VanDerWaalsContact O-CB 3.29Å; H462-H466 WeakPolarHBondContact O-CB 3.46Å; H462-H466 PolarHBondContact O-N 3.21Å
463	I	49.8	Very low	57.3	Low	59 Å²	59	92.5 Å²	92.5	30%	0.303	45%	0.449	S	S	.	.	H	α-helix	trans	-64.4	-46.2	177.5	-64.7	168.7	0	0	0	110.3	Y345 V459 F460 H466 N467	Y345-I463 HydrophobicContact CE2-CD1 4.44Å; V459-I463 HydrophobicContact CG1-CD1 4.41Å; V459-I463 WeakPolarHBondContact O-CG1 3.37Å; V459-I463 PolarHBondContact O-N 2.77Å; F460-I463 PolarHBondContact O-N 3.1Å; I463-H466 PolarHBondContact O-N 2.94Å; I463-N467 WeakPolarHBondContact O-CB 3.49Å; I463-N467 PolarHBondContact O-N 2.99Å; I463-N467 PolarHBondContact O-ND2 2.9Å
464	Q	57.3	Low	56.3	Low	92 Å²	92	97 Å²	97	43%	0.43	47%	0.473	S	S	.	.	H	α-helix	trans	-62.6	-44	176.9	-71.5	-176.9	8.4	0	0	112.4	F460 N467 N468	F460-Q464 WeakPolarHBondContact O-CB 3.41Å; F460-Q464 WeakPolarHBondContact O-CG 3.24Å; F460-Q464 PolarHBondContact O-N 3.34Å; Q464-N467 PolarHBondContact O-N 2.82Å; Q464-N468 VanDerWaalsContact O-CB 3.31Å; Q464-N468 WeakPolarHBondContact O-CB 3.46Å; Q464-N468 PolarHBondContact O-N 2.89Å; Q464-N468 PolarHBondContact O-ND2 2.85Å
465	N	53.4	Low	55.5	Low	95 Å²	95	102.4 Å²	102.4	51%	0.508	49%	0.491	S	S	.	.	H	α-helix	trans	-68	-34.4	177.6	-76.1	-40.6	0	0	0	113	N461 H462 R469	N461-N465 VanDerWaalsContact O-CB 3.25Å; N461-N465 WeakPolarHBondContact O-CB 3.18Å; N461-N465 VanDerWaalsContact O-CG 3.3Å; N461-N465 PolarHBondContact O-N 2.97Å; N461-N465 PolarHBondContact O-ND2 3.45Å; H462-N465 PolarHBondContact O-N 3.39Å; N465-R469 WeakPolarHBondContact O-CG 3.26Å; N465-R469 PolarHBondContact O-N 3.28Å
466	H	57.4	Low	54.6	Low	99 Å²	99	105.8 Å²	105.8	46%	0.458	51%	0.513	S	S	.	.	H	α-helix	trans	-64.5	-49.6	172.4	-172.6	-101.2	0	0	0	111.1	H462 I463 N468 R469 L470	H462-H466 VanDerWaalsContact O-CB 3.29Å; H462-H466 WeakPolarHBondContact O-CB 3.46Å; H462-H466 PolarHBondContact O-N 3.21Å; I463-H466 PolarHBondContact O-N 2.94Å; H466-N468 VanDerWaalsContact C-N 3.29Å; H466-N468 PolarHBondContact O-N 3.31Å; H466-R469 PolarHBondContact O-N 2.91Å; H466-R469 VanDerWaalsContact O-N 3.1Å; H466-L470 PolarHBondContact O-N 3.18Å
467	N	56.7	Low	53.7	Low	73 Å²	73	104.8 Å²	104.8	39%	0.39	52%	0.517	S	S	.	.	H	α-helix	trans	-64.1	-32.7	178.3	-68.4	-12.7	0	0	0	112.4	I463 Q464 K471	I463-N467 WeakPolarHBondContact O-CB 3.49Å; I463-N467 PolarHBondContact O-N 2.99Å; I463-N467 PolarHBondContact O-ND2 2.9Å; Q464-N467 PolarHBondContact O-N 2.82Å; N467-K471 WeakPolarHBondContact O-CB 3.41Å; N467-K471 VanDerWaalsContact O-CG 3.26Å; N467-K471 WeakPolarHBondContact O-CG 3.47Å; N467-K471 PolarHBondContact O-N 3.05Å
468	N	61.7	Low	52.9	Low	82 Å²	82	104 Å²	104	44%	0.439	52%	0.518	S	S	.	.	H	α-helix	trans	-69.1	-39.8	172.4	-72.2	-23.3	0	0	0	112	Q464 H466 K471 T472	Q464-N468 VanDerWaalsContact O-CB 3.31Å; Q464-N468 WeakPolarHBondContact O-CB 3.46Å; Q464-N468 PolarHBondContact O-N 2.89Å; Q464-N468 PolarHBondContact O-ND2 2.85Å; H466-N468 VanDerWaalsContact C-N 3.29Å; H466-N468 PolarHBondContact O-N 3.31Å; N468-K471 PolarHBondContact O-N 2.95Å; N468-T472 PolarHBondContact O-N 2.92Å; N468-T472 PolarHBondContact O-OG1 3.46Å
469	R	56.4	Low	52.5	Low	185 Å²	185	107.3 Å²	107.3	70%	0.698	53%	0.527	S	S	*	.	H	α-helix	trans	-62.8	-47.2	172.4	-77.5	-174.3	178.5	-158.4	-0.2	111.9	N465 H466 K471 T472 M473	N465-R469 WeakPolarHBondContact O-CG 3.26Å; N465-R469 PolarHBondContact O-N 3.28Å; H466-R469 PolarHBondContact O-N 2.91Å; H466-R469 VanDerWaalsContact O-N 3.1Å; R469-K471 VanDerWaalsContact C-N 3.33Å; R469-K471 PolarHBondContact O-N 3.4Å; R469-T472 WeakPolarHBondContact CA-OG1 3.37Å; R469-T472 PolarHBondContact O-N 3.4Å; R469-T472 VanDerWaalsContact O-N 3.09Å; R469-T472 PolarHBondContact O-OG1 3.09Å; R469-M473 WeakPolarHBondContact O-CG 3.45Å; R469-M473 PolarHBondContact O-N 3.39Å
470	L	63.3	Low	52.2	Low	77 Å²	77	110.4 Å²	110.4	40%	0.403	55%	0.546	S	S	.	.	H	α-helix	trans	-57.2	-44.8	174.5	-69.4	177.3	0	0	0	111.8	H466 T472 M473 N474	H466-L470 PolarHBondContact O-N 3.18Å; L470-T472 VanDerWaalsContact C-N 3.33Å; L470-T472 PolarHBondContact O-N 2.7Å; L470-M473 PolarHBondContact O-N 3.28Å; L470-N474 WeakPolarHBondContact O-CB 3.41Å; L470-N474 PolarHBondContact O-N 2.99Å
471	K	59.2	Low	52	Low	149 Å²	149	113.3 Å²	113.3	65%	0.648	56%	0.558	S	S	*	*	H	α-helix	trans	-58.8	-41.3	174	-77.7	173.6	179.9	-177.3	0	112.4	N467 N468 R469 K475	N467-K471 WeakPolarHBondContact O-CB 3.41Å; N467-K471 VanDerWaalsContact O-CG 3.26Å; N467-K471 WeakPolarHBondContact O-CG 3.47Å; N467-K471 PolarHBondContact O-N 3.05Å; N468-K471 PolarHBondContact O-N 2.95Å; R469-K471 VanDerWaalsContact C-N 3.33Å; R469-K471 PolarHBondContact O-N 3.4Å; K471-K475 WeakPolarHBondContact O-CB 3.31Å; K471-K475 PolarHBondContact O-N 3.14Å; K471-K475 VanDerWaalsContact O-N 3.14Å
472	T	62.2	Low	51.2	Low	88 Å²	88	118.5 Å²	118.5	54%	0.54	58%	0.577	S	S	.	*	H	α-helix	trans	-67	-43.7	175.2	47.4	0	0	0	0	112.9	N468 R469 L470 N474 K475 T476	N468-T472 PolarHBondContact O-N 2.92Å; N468-T472 PolarHBondContact O-OG1 3.46Å; R469-T472 WeakPolarHBondContact CA-OG1 3.37Å; R469-T472 PolarHBondContact O-N 3.4Å; R469-T472 VanDerWaalsContact O-N 3.09Å; R469-T472 PolarHBondContact O-OG1 3.09Å; L470-T472 VanDerWaalsContact C-N 3.33Å; L470-T472 PolarHBondContact O-N 2.7Å; T472-N474 PolarHBondContact O-N 3.07Å; T472-K475 PolarHBondContact O-N 3.34Å; T472-K475 VanDerWaalsContact O-N 3.12Å; T472-T476 PolarHBondContact O-N 2.97Å; T472-T476 PolarHBondContact O-OG1 3.12Å
473	M	55.6	Low	50.3	Low	126 Å²	126	119.8 Å²	119.8	62%	0.621	59%	0.588	S	S	*	*	H	α-helix	trans	-68.4	-35.9	-178.6	-65.4	-176.2	92.7	0	0	112.4	R469 L470 K475 T476 S477	R469-M473 WeakPolarHBondContact O-CG 3.45Å; R469-M473 PolarHBondContact O-N 3.39Å; L470-M473 PolarHBondContact O-N 3.28Å; M473-K475 VanDerWaalsContact C-N 3.33Å; M473-T476 WeakPolarHBondContact CA-OG1 3.46Å; M473-T476 PolarHBondContact O-N 2.91Å; M473-T476 PolarHBondContact O-OG1 3.49Å; M473-S477 VanDerWaalsContact O-CB 3.24Å; M473-S477 WeakPolarHBondContact O-CB 3.24Å; M473-S477 PolarHBondContact O-N 3.43Å
474	N	51.7	Low	49.2	Very low	108 Å²	108	125.1 Å²	125.1	58%	0.578	62%	0.616	S	S	*	*	H	α-helix	trans	-66.8	-35.7	171.5	-70.8	-1.9	0	0	0	111.4	L470 T472 M478	L470-N474 WeakPolarHBondContact O-CB 3.41Å; L470-N474 PolarHBondContact O-N 2.99Å; T472-N474 PolarHBondContact O-N 3.07Å; N474-M478 VanDerWaalsContact O-CG 3.27Å; N474-M478 WeakPolarHBondContact O-CG 3.38Å; N474-M478 PolarHBondContact O-N 2.9Å; N474-M478 VanDerWaalsContact O-N 3.12Å
475	K	53.1	Low	47.9	Very low	171 Å²	171	126.6 Å²	126.6	74%	0.743	63%	0.633	S	S	*	*	H	α-helix	trans	-72.3	-26.6	177.9	-143.3	171.2	-169.9	-179.6	0	113.3	K471 T472 M473	K471-K475 WeakPolarHBondContact O-CB 3.31Å; K471-K475 PolarHBondContact O-N 3.14Å; K471-K475 VanDerWaalsContact O-N 3.14Å; T472-K475 PolarHBondContact O-N 3.34Å; T472-K475 VanDerWaalsContact O-N 3.12Å; M473-K475 VanDerWaalsContact C-N 3.33Å
476	T	51.3	Low	46.7	Very low	90 Å²	90	127.8 Å²	127.8	55%	0.552	64%	0.644	S	S	*	*	H	α-helix	trans	-81.1	-41.6	170.2	51	0	0	0	0	112.3	T472 M473 M478 K479 T480	T472-T476 PolarHBondContact O-N 2.97Å; T472-T476 PolarHBondContact O-OG1 3.12Å; M473-T476 WeakPolarHBondContact CA-OG1 3.46Å; M473-T476 PolarHBondContact O-N 2.91Å; M473-T476 PolarHBondContact O-OG1 3.49Å; T476-M478 PolarHBondContact O-N 3.12Å; T476-K479 PolarHBondContact O-N 3.31Å; T476-T480 PolarHBondContact O-N 3.47Å
477	S	49.1	Very low	45.3	Very low	63 Å²	63	133.9 Å²	133.9	44%	0.441	67%	0.665	S	S	.	*	H	α-helix	trans	-62.3	-28.7	178.5	-173	0	0	0	0	113.2	M473 K479 T480	M473-S477 VanDerWaalsContact O-CB 3.24Å; M473-S477 WeakPolarHBondContact O-CB 3.24Å; M473-S477 PolarHBondContact O-N 3.43Å; S477-K479 VanDerWaalsContact C-N 3.31Å; S477-K479 PolarHBondContact O-N 3Å; S477-T480 PolarHBondContact O-OG1 2.9Å
478	M	40.9	Very low	44	Very low	152 Å²	152	138.4 Å²	138.4	75%	0.749	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-20.8	170.8	-72.4	-68.6	-177.2	0	0	114.2	N474 T476	N474-M478 VanDerWaalsContact O-CG 3.27Å; N474-M478 WeakPolarHBondContact O-CG 3.38Å; N474-M478 PolarHBondContact O-N 2.9Å; N474-M478 VanDerWaalsContact O-N 3.12Å; T476-M478 PolarHBondContact O-N 3.12Å
479	K	41.7	Very low	42.5	Very low	183 Å²	183	142.1 Å²	142.1	80%	0.796	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-22.8	177.5	-77.5	-166.3	170	-167.3	0	113.7	T476 S477	T476-K479 PolarHBondContact O-N 3.31Å; S477-K479 VanDerWaalsContact C-N 3.31Å; S477-K479 PolarHBondContact O-N 3Å
480	T	39.8	Very low	41.2	Very low	112 Å²	112	136.2 Å²	136.2	69%	0.687	70%	0.698	S	S	*	*	S	Bend	trans	-89.9	5	-176.1	51.2	0	0	0	0	114.5	T476 S477 K482	T476-T480 PolarHBondContact O-N 3.47Å; S477-T480 PolarHBondContact O-OG1 2.9Å; T480-K482 VanDerWaalsContact C-N 3.27Å; T480-K482 PolarHBondContact O-N 3.36Å
481	K	36.9	Very low	39.6	Very low	177 Å²	177	140.1 Å²	140.1	77%	0.77	72%	0.719	S	S	*	*			trans	-84.7	15.4	175.8	-74.5	-168.1	173.6	-171.2	0	114.7
482	K	32.5	Very low	38.1	Very low	179 Å²	179	140.2 Å²	140.2	78%	0.778	73%	0.726	S	S	*	*	S	Bend	trans	-116	115.3	179.3	-127.3	-177.4	-178.5	-174.6	0	110.7	T480	T480-K482 VanDerWaalsContact C-N 3.27Å; T480-K482 PolarHBondContact O-N 3.36Å
483	L	26.6	Very low	36.5	Very low	156 Å²	156	145.9 Å²	145.9	82%	0.817	74%	0.744	S	S	*	*			trans	63.9	99.5	165.7	-55.3	172.8	0	0	0	117.7
484	L	26.9	Very low	35.2	Very low	170 Å²	170	145 Å²	145	89%	0.89	75%	0.751	S	S	*	*			trans	-139.5	108.8	145.6	-90.9	173.3	0	0	0	107.7
485	P	29.8	Very low	34.2	Very low	123 Å²	123	149.3 Å²	149.3	80%	0.799	76%	0.764	S	S	*	*			trans	-69.6	149.7	176.8	-20	33.7	0	0	0	112.6
486	V	28.5	Very low	32.8	Very low	121 Å²	121	147.1 Å²	147.1	73%	0.733	77%	0.769	S	S	*	*			trans	-85.1	139.8	176.8	176.4	0	0	0	0	110.4	K488	V486-K488 HydrophobicContact CG1-CG 4.42Å
487	Y	27.6	Very low	31.5	Very low	226 Å²	226	149.8 Å²	149.8	89%	0.886	78%	0.78	S	S	*	*			trans	-126.1	156	149.8	-126.2	-95.5	0	0	0	110.3
488	K	30.2	Very low	30.5	Very low	168 Å²	168	153.3 Å²	153.3	73%	0.73	79%	0.794	S	S	*	*			trans	-107.1	-174.4	-165.4	-66.1	-177.5	177	180	0	112.4	V486	V486-K488 HydrophobicContact CG1-CG 4.42Å
489	N	30.3	Very low	29.9	Very low	161 Å²	161	153 Å²	153	86%	0.861	79%	0.791	S	S	*	*			trans	86.6	136.2	173.1	-43.3	-8	0	0	0	112.5
490	G	29	Very low	29.1	Very low	61 Å²	61	152.5 Å²	152.5	63%	0.629	80%	0.795	S	S	*	*			cis	-175.9	141.6	-8	0	0	0	0	0	111.2
491	D	28.7	Very low	28.3	Very low	159 Å²	159	152.5 Å²	152.5	85%	0.85	80%	0.795	S	S	*	*			trans	52.6	125.9	153.8	-44.7	-29.8	0	0	0	121.2
492	D	27.5	Very low	27.8	Very low	150 Å²	150	154.8 Å²	154.8	80%	0.802	80%	0.801	S	S	*	*			trans	32.8	111.4	152	-63.6	-22.6	0	0	0	121.3
493	F	28.2	Very low	27.4	Very low	207 Å²	207	151.4 Å²	151.4	91%	0.908	80%	0.799	S	S	*	*				-157.9	131.4	110.6	-115	-71.8	0	0	0	112.9
494	S	28	Very low	27.4	Very low	109 Å²	109	149.9 Å²	149.9	76%	0.762	80%	0.797	S	S	*	*			trans	-96.8	98.6	-176	49.9	0	0	0	0	113
495	K	32.4	Very low	27.2	Very low	197 Å²	197	148 Å²	148	86%	0.857	78%	0.777	S	S	*	*			trans	-166.5	120.3	162.8	-106.4	147.6	-172.3	173.9	0	114.1
496	C	23.5	Very low	26.9	Very low	125 Å²	125	149.5 Å²	149.5	85%	0.845	78%	0.779	S	S	*	*			trans	63.6	163	159.9	-134	0	0	0	0	119.3
497	N	24.6	Very low	27.1	Very low	146 Å²	146	148 Å²	148	78%	0.781	77%	0.772	S	S	*	*			trans	-60.8	141.4	-175.3	-51.1	-46.2	0	0	0	112.8
498	D	26.6	Very low	26.9	Very low	138 Å²	138	146.4 Å²	146.4	74%	0.738	77%	0.769	S	S	*	*			trans	-140.5	121.4	142.7	-106.3	-33.6	0	0	0	114.1
499	Q	28.6	Very low	26.6	Very low	146 Å²	146	145.6 Å²	145.6	68%	0.682	77%	0.772	S	S	*	*			trans	52	79.8	137.8	-65	177	71.5	0	0	120.9
500	L	24.5	Very low	26.3	Very low	172 Å²	172	147.3 Å²	147.3	90%	0.901	77%	0.772	S	S	*	*				-122.4	58.5	128.4	-96.3	-179.8	0	0	0	111.5
501	T	24.3	Very low	26	Very low	111 Å²	111	149.9 Å²	149.9	68%	0.681	78%	0.781	S	S	*	*			trans	-102.4	92.6	176.3	48.5	0	0	0	0	111.8
502	Y	25.2	Very low	26	Very low	226 Å²	226	148.2 Å²	148.2	89%	0.886	78%	0.777	S	S	*	*			trans	-92.5	82.9	154.1	-88.4	-90.1	0	0	0	107.5
503	S	23.9	Very low	25.8	Very low	107 Å²	107	145.9 Å²	145.9	75%	0.748	77%	0.772	S	S	*	*				79.7	130.8	74.2	-168.1	0	0	0	0	112.3
504	V	26.5	Very low	25.8	Very low	125 Å²	125	141.6 Å²	141.6	76%	0.758	76%	0.763	S	S	*	*			trans	-107.9	145.9	-161.9	-174.2	0	0	0	0	109.8
505	R	24	Very low	25.9	Very low	130 Å²	130	146.3 Å²	146.3	49%	0.491	77%	0.765	S	S	.	*				159.1	114.3	129.6	-85.2	158.7	-172.7	-176.9	7.8	114.1	N281	N281-R505 PolarHBondContact OD1-NH2 3.25Å
506	N	23.6	Very low	25.6	Very low	154 Å²	154	144.2 Å²	144.2	82%	0.824	76%	0.762	S	S	*	*			trans	64.2	163.7	139.2	-85.9	-20.4	0	0	0	120.6
507	P	31.4	Very low	25.9	Very low	91 Å²	91	145 Å²	145	59%	0.591	76%	0.756	S	S	*	*			cis	-136.3	170.9	-28.4	36.7	-20.4	0	0	0	114.7
508	K	23.4	Very low	26	Very low	191 Å²	191	143.5 Å²	143.5	83%	0.83	75%	0.754	S	S	*	*			trans	69.9	136.1	154.7	-69.9	159.1	-176.1	174.7	0	119.4
509	L	24	Very low	26	Very low	152 Å²	152	144.6 Å²	144.6	80%	0.796	76%	0.761	S	S	*	*			trans	89.2	149	160	-59.9	168.3	0	0	0	120.2
510	F	25.6	Very low	26.2	Very low	196 Å²	196	146.9 Å²	146.9	86%	0.86	77%	0.771	S	S	*	*			trans	75.5	144.3	174.2	-59.9	-73.2	0	0	0	118.5
511	S	22.7	Very low	26.3	Very low	115 Å²	115	147.3 Å²	147.3	80%	0.804	77%	0.769	S	S	*	*			trans	-113	122.5	-153.8	48.4	0	0	0	0	114
512	T	26.8	Very low	26.5	Very low	125 Å²	125	149.8 Å²	149.8	77%	0.767	78%	0.776	S	S	*	*			trans	-125.7	143.9	162.1	42.8	0	0	0	0	108.9
513	S	24.6	Very low	26.3	Very low	100 Å²	100	146.8 Å²	146.8	70%	0.699	77%	0.77	S	S	*	*			trans	-101.2	105.1	-176.3	174.5	0	0	0	0	109.8
514	T	28.7	Very low	26.6	Very low	118 Å²	118	149.4 Å²	149.4	72%	0.724	77%	0.774	S	S	*	*			trans	-128.6	103.2	173.1	-44.4	0	0	0	0	108.1
515	Y	28.7	Very low	26.6	Very low	207 Å²	207	152.1 Å²	152.1	81%	0.812	77%	0.77	S	S	*	*			trans	-91.8	127.2	175.6	-84.9	-88.3	0	0	0	110.2
516	I	26	Very low	26.8	Very low	153 Å²	153	152.9 Å²	152.9	79%	0.785	78%	0.78	S	S	*	*			trans	-118.3	129.6	165.9	-59.7	173.2	0	0	0	105.4
517	I	30.4	Very low	26.9	Very low	142 Å²	142	151.3 Å²	151.3	73%	0.728	78%	0.776	S	S	*	*			trans	-114	132.1	175.9	-60.8	178.9	0	0	0	107.4
518	P	27.6	Very low	26.8	Very low	114 Å²	114	153.7 Å²	153.7	74%	0.74	78%	0.783	S	S	*	*			trans	-76.5	151.6	-178.1	-11.4	28	0	0	0	112.5
519	N	25.8	Very low	27.2	Very low	162 Å²	162	149 Å²	149	87%	0.866	77%	0.77	S	S	*	*			trans	-73.5	141.5	169.6	-67.1	-16.5	0	0	0	110.9
520	Q	32.8	Very low	27.3	Very low	193 Å²	193	152.9 Å²	152.9	90%	0.902	77%	0.774	S	S	*	*			trans	-126	136.9	156.3	-73.7	-175.5	-42.2	0	0	108.2
521	Q	25.8	Very low	27.6	Very low	182 Å²	182	151.3 Å²	151.3	85%	0.85	78%	0.775	S	S	*	*			trans	-87.8	136.1	179	-66.2	168.4	-91.1	0	0	110
522	I	28.3	Very low	28	Very low	162 Å²	162	154.6 Å²	154.6	83%	0.831	78%	0.775	S	S	*	*			trans	-134.3	116.1	158.3	-60.3	-178.6	0	0	0	106
523	E	22.5	Very low	28.1	Very low	163 Å²	163	155 Å²	155	76%	0.762	78%	0.778	S	S	*	*			trans	-89.4	129.5	173.4	-62.8	180	117	0	0	109.6
524	I	30.6	Very low	28.5	Very low	163 Å²	163	158.5 Å²	158.5	84%	0.836	79%	0.787	S	S	*	*			trans	-135	130	152.4	-58	-177.1	0	0	0	106.2
525	R	25.9	Very low	28.8	Very low	181 Å²	181	161.6 Å²	161.6	68%	0.683	79%	0.79	S	S	*	*			trans	-90.9	173.1	-174.3	-61.8	-176	177.3	-177.5	-1	112.3
526	E	27.9	Very low	28.8	Very low	147 Å²	147	157.8 Å²	157.8	69%	0.687	79%	0.79	S	S	*	*			trans	44.7	129.4	137.8	-71.3	145.7	-161.8	0	0	117.4
527	T	26.1	Very low	29	Very low	121 Å²	121	157.5 Å²	157.5	74%	0.742	79%	0.789	S	S	*	*			cis	-170.1	179.8	29.4	-1.6	0	0	0	0	107.1
528	L	28.8	Very low	28.9	Very low	140 Å²	140	156.4 Å²	156.4	73%	0.733	78%	0.784	S	S	*	*			cis	-164.2	173.7	27.6	-126.6	154.5	0	0	0	109.1
529	T	31.6	Very low	29	Very low	93 Å²	93	158 Å²	158	57%	0.571	79%	0.786	S	S	*	*			trans	14.9	117	160.9	41.9	0	0	0	0	120.1
530	R	27.1	Very low	29.1	Very low	233 Å²	233	155.8 Å²	155.8	88%	0.879	78%	0.779	S	S	*	*				58.3	110.8	82.9	-66.4	-178.7	-174.3	124.5	-1	114.4
531	D	31.4	Very low	28.9	Very low	164 Å²	164	150.8 Å²	150.8	88%	0.877	77%	0.765	S	S	*	*				-146.4	173.9	124.1	-140.6	-29	0	0	0	111.3
532	K	31.1	Very low	29	Very low	183 Å²	183	152.9 Å²	152.9	80%	0.796	77%	0.767	S	S	*	*			trans	-117.2	-174.9	-171.9	-66.6	-179	178.8	176.8	0	112.6
533	T	28.4	Very low	29.1	Very low	135 Å²	135	151 Å²	151	83%	0.828	76%	0.763	S	S	*	*			trans	64	74	162.2	59.2	0	0	0	0	118.3
534	I	33.3	Very low	29.5	Very low	173 Å²	173	150.6 Å²	150.6	89%	0.887	76%	0.761	S	S	*	*			trans	-125.8	136	140.5	-58.2	-178.5	0	0	0	107.3
535	K	33.9	Very low	29.5	Very low	183 Å²	183	151.8 Å²	151.8	80%	0.796	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-85.7	153.9	-179	-70.1	179.1	179.4	177.4	0	110.7
536	P	28.7	Very low	29.7	Very low	126 Å²	126	149.3 Å²	149.3	82%	0.818	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-62.6	140.9	172.4	28	-34.9	0	0	0	110.7
537	I	31.2	Very low	29.6	Very low	147 Å²	147	150 Å²	150	75%	0.754	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-90.2	128.7	170.6	-62.9	174.2	0	0	0	107.3	L539	I537-L539 HydrophobicContact CG2-CD1 4.14Å
538	D	27.4	Very low	29.7	Very low	119 Å²	119	154.3 Å²	154.3	64%	0.636	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-83.3	131.3	177.8	-167.4	20.3	0	0	0	110.2	T540	D538-T540 VanDerWaalsContact CG-OG1 3.27Å; D538-T540 WeakPolarHBondContact OD1-CG2 3.45Å; D538-T540 WeakPolarHBondContact OD2-CG2 3.27Å; D538-T540 PolarHBondContact OD2-OG1 3.27Å
539	L	31.2	Very low	29.8	Very low	148 Å²	148	155 Å²	155	78%	0.775	80%	0.801	S	S	*	*			trans	-108.3	50.5	-179.8	-88.4	85	0	0	0	111.2	I537 S541	I537-L539 HydrophobicContact CG2-CD1 4.14Å; L539-S541 PolarHBondContact O-N 3.4Å
540	T	26.6	Very low	29.7	Very low	116 Å²	116	158.3 Å²	158.3	71%	0.712	81%	0.813	S	S	*	*			trans	-87.9	32.5	175.6	41.1	0	0	0	0	112.7	D538	D538-T540 VanDerWaalsContact CG-OG1 3.27Å; D538-T540 WeakPolarHBondContact OD1-CG2 3.45Å; D538-T540 WeakPolarHBondContact OD2-CG2 3.27Å; D538-T540 PolarHBondContact OD2-OG1 3.27Å
541	S	28.5	Very low	29.8	Very low	88 Å²	88	154.1 Å²	154.1	62%	0.615	81%	0.81	S	S	*	*			trans	-151.7	55.1	-170.2	70	0	0	0	0	115.4	L539	L539-S541 PolarHBondContact O-N 3.4Å
542	Y	29.2	Very low	29.7	Very low	225 Å²	225	153.5 Å²	153.5	88%	0.882	81%	0.806	S	S	*	*			trans	-144.8	53.8	166.2	-111.4	-70.9	0	0	0	113.4
543	T	29.1	Very low	29.6	Very low	124 Å²	124	151.7 Å²	151.7	76%	0.761	81%	0.806	S	S	*	*			trans	-91.8	137.9	161.9	46.9	0	0	0	0	110
544	Q	31.1	Very low	29.7	Very low	153 Å²	153	152.8 Å²	152.8	72%	0.715	81%	0.805	S	S	*	*			trans	60.5	105.3	173.8	-61.1	178.9	-97.4	0	0	117
545	M	30.3	Very low	29.4	Very low	188 Å²	188	151.4 Å²	151.4	93%	0.926	80%	0.799	S	S	*	*				-131.2	139.4	120.9	-75.5	-163.3	169	0	0	107.8
546	D	31.2	Very low	29.1	Very low	129 Å²	129	148.9 Å²	148.9	69%	0.69	80%	0.799	S	S	*	*			trans	-100.4	-177.3	-159	-69.9	-69.6	0	0	0	114
547	I	25	Very low	29.1	Very low	163 Å²	163	150.8 Å²	150.8	84%	0.836	80%	0.798	S	S	*	*			trans	-64.9	126.9	-174.5	-61.2	158	0	0	0	112.6
548	V	28.9	Very low	28.9	Very low	210 Å²	210	151.2 Å²	151.2	100%	1.273	80%	0.802	S	S	*	*			trans	-139	0	140.3	-178.3	0	0	0	0	107.7

Retrieved 548 of 548 residues in 98.4 ms (Link to these results)

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