A0A3Q0KKJ4_SCHMA Loading...

Requim, req/dpf2, putative AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KKJ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 548 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.6	Very low	38.8	Very low	231 Å²	231	162 Å²	162	100%	1.138	85%	0.845	S	S	*	*				0	147.1	0	-74.3	-174.7	175.5	0	0	107.8
2	L	37.8	Very low	38.7	Very low	171 Å²	171	161.1 Å²	161.1	90%	0.895	84%	0.841	S	S	*	*			trans	66.8	63.5	-171.2	-55.1	-178.2	0	0	0	113.9
3	D	32	Very low	38.9	Very low	141 Å²	141	161.6 Å²	161.6	75%	0.754	84%	0.842	S	S	*	*			trans	-63.6	142.8	161.4	-51.2	-93.4	0	0	0	110.8
4	F	40.3	Very low	39	Very low	195 Å²	195	162.8 Å²	162.8	86%	0.855	85%	0.845	S	S	*	*			trans	-132.7	75.3	171.5	-147.8	-88	0	0	0	111.4	S6	F4-S6 PolarHBondContact O-N 3.34Å
5	V	37.9	Very low	38.9	Very low	135 Å²	135	159.1 Å²	159.1	82%	0.818	84%	0.839	S	S	*	*			trans	-69.5	114	176	178	0	0	0	0	109.7
6	S	44.2	Very low	39.3	Very low	97 Å²	97	154.9 Å²	154.9	68%	0.678	83%	0.827	S	S	*	*			trans	-126.8	122.8	172.8	-161.8	0	0	0	0	111.2	F4	F4-S6 PolarHBondContact O-N 3.34Å
7	K	39.1	Very low	39.8	Very low	195 Å²	195	154.9 Å²	154.9	85%	0.848	82%	0.82	S	S	*	*			trans	-82.5	121.6	-177.4	-62.8	172.9	179.7	175.8	0	110.4
8	R	42.5	Very low	40.6	Very low	238 Å²	238	153.9 Å²	153.9	90%	0.898	82%	0.824	S	S	*	*			trans	-138.4	104.3	160.8	-82.9	-169	168.3	166.1	-2	111.5
9	S	37.6	Very low	41.4	Very low	123 Å²	123	153.5 Å²	153.5	86%	0.86	82%	0.822	S	S	*	*			trans	-101.5	73.7	175.8	53.3	0	0	0	0	110.6
10	V	39.2	Very low	42.5	Very low	123 Å²	123	150.8 Å²	150.8	75%	0.745	80%	0.804	S	S	*	*			trans	-147.7	147.7	174.2	-158.9	0	0	0	0	109.4
11	V	36.8	Very low	43.7	Very low	133 Å²	133	149 Å²	149	81%	0.806	79%	0.79	S	S	*	*			trans	71	98.7	173.2	-166.3	0	0	0	0	116.1
12	L	37.8	Very low	45.9	Very low	151 Å²	151	141.1 Å²	141.1	79%	0.791	75%	0.754	S	S	*	*			trans	-171	75.5	143.2	-114.1	167.5	0	0	0	113.7
13	I	40.3	Very low	47.8	Very low	168 Å²	168	141.2 Å²	141.2	86%	0.862	74%	0.744	S	S	*	*			trans	-143.3	73.8	147.6	-49.1	-179.1	0	0	0	108.5
14	M	41	Very low	50.1	Low	178 Å²	178	139.8 Å²	139.8	88%	0.877	74%	0.736	S	S	*	*			trans	-140	87.5	158.8	-80.1	-161.3	74.5	0	0	107.1
15	S	37.2	Very low	52	Low	108 Å²	108	135.1 Å²	135.1	76%	0.755	72%	0.716	S	S	*	*			trans	-138.4	53	-175.1	-54.9	0	0	0	0	110.4
16	S	46	Very low	54.3	Low	92 Å²	92	132.8 Å²	132.8	64%	0.643	70%	0.698	S	S	*	*	S	Bend	trans	-110.3	152.3	156.4	54.4	0	0	0	0	108.4
17	E	47.7	Very low	56.2	Low	154 Å²	154	132.4 Å²	132.4	72%	0.72	69%	0.688	S	S	*	*			trans	-70	142.3	-159.9	-59.4	-172.6	166.1	0	0	113.4	N19	E17-N19 PolarHBondContact O-N 3.32Å
18	P	53.3	Low	58.3	Low	137 Å²	137	125.3 Å²	125.3	89%	0.89	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	14.5	-172.1	30.8	-37.4	0	0	0	115
19	N	57.2	Low	60.3	Low	146 Å²	146	117.5 Å²	117.5	78%	0.781	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.6	-7.9	-173.9	-108.2	-3.5	0	0	0	114.7	E17	E17-N19 PolarHBondContact O-N 3.32Å
20	E	61.8	Low	62.5	Low	99 Å²	99	113.9 Å²	113.9	46%	0.463	62%	0.616	S	S	.	*	S	Bend	trans	-73.5	-28.2	-178.6	-76.2	-153.4	105.7	0	0	114	K25	E20-K25 VanDerWaalsContact O-CD 3.23Å; E20-K25 WeakPolarHBondContact O-CD 3.42Å; E20-K25 WeakPolarHBondContact O-CE 3.42Å; E20-K25 PolarHBondContact O-NZ 3.06Å
21	F	69.4	Low	64.5	Low	115 Å²	115	111.4 Å²	111.4	50%	0.504	60%	0.604	S	S	.	*			trans	-102.6	86.5	-173	-73.7	-87.9	0	0	0	112.5	L26 F29	F21-L26 HydrophobicContact CB-CD1 4.5Å; F21-L26 HydrophobicContact CB-CD2 4.35Å; F21-L26 HydrophobicContact CB-CG 4.34Å; F21-L26 HydrophobicContact CD1-CD2 3.59Å; F21-L26 HydrophobicContact CD1-CG 4.24Å; F21-L26 HydrophobicContact CE1-CD2 4.3Å; F21-L26 HydrophobicContact CG-CD2 4.3Å; F21-F29 HydrophobicContact CD1-CD2 4.48Å; F21-F29 HydrophobicContact CD1-CE2 4.16Å; F21-F29 HydrophobicContact CE1-CD2 4.15Å; F21-F29 AromaticContact CE1-CE2 3.71Å; F21-F29 HydrophobicContact CE1-CE2 3.71Å
22	T	83.9	Confident	66.5	Low	65 Å²	65	110.8 Å²	110.8	40%	0.399	59%	0.587	S	S	.	*			trans	-66.1	155.1	163.3	59	0	0	0	0	110.8	D24 K25 L26	T22-D24 PolarHBondContact O-N 3.4Å; T22-K25 WeakPolarHBondContact O-CB 3.4Å; T22-K25 PolarHBondContact O-N 3.48Å; T22-K25 VanDerWaalsContact O-N 3.11Å; T22-K25 WeakPolarHBondContact OG1-CG 3.38Å; T22-L26 PolarHBondContact O-N 2.81Å; T22-L26 VanDerWaalsContact O-N 3.17Å
23	Y	79.3	Confident	68.5	Low	172 Å²	172	110.6 Å²	110.6	68%	0.675	58%	0.577	S	S	*	*	H	α-helix	trans	-55.8	-37.6	178.3	-177	-115.1	0	0	0	112.1	K25 L26 L27	Y23-K25 PolarHBondContact O-N 3.12Å; Y23-L26 WeakPolarHBondContact O-CB 3.46Å; Y23-L26 PolarHBondContact O-N 3.13Å; Y23-L27 HydrophobicContact CD1-CD1 3.75Å; Y23-L27 HydrophobicContact CE1-CD1 3.45Å; Y23-L27 VanDerWaalsContact CE1-CD1 3.45Å; Y23-L27 HydrophobicContact CE1-CG 4.21Å; Y23-L27 PolarHBondContact O-N 3.46Å
24	D	80.3	Confident	70.6	Confident	111 Å²	111	106.9 Å²	106.9	59%	0.594	56%	0.559	S	S	*	*	H	α-helix	trans	-66.8	-37	179.3	-38.3	-65.8	0	0	0	112.3	T22 L27 A28	T22-D24 PolarHBondContact O-N 3.4Å; D24-L27 PolarHBondContact O-N 2.93Å; D24-A28 WeakPolarHBondContact O-CB 3.4Å; D24-A28 PolarHBondContact O-N 2.77Å
25	K	80.5	Confident	72.3	Confident	98 Å²	98	105.4 Å²	105.4	43%	0.426	54%	0.544	S	S	.	.	H	α-helix	trans	-64.5	-42.4	172.3	-72.5	177.2	-172.3	-179.1	0	110.7	E20 T22 Y23 A28 F29	E20-K25 VanDerWaalsContact O-CD 3.23Å; E20-K25 WeakPolarHBondContact O-CD 3.42Å; E20-K25 WeakPolarHBondContact O-CE 3.42Å; E20-K25 PolarHBondContact O-NZ 3.06Å; T22-K25 WeakPolarHBondContact O-CB 3.4Å; T22-K25 PolarHBondContact O-N 3.48Å; T22-K25 VanDerWaalsContact O-N 3.11Å; T22-K25 WeakPolarHBondContact OG1-CG 3.38Å; Y23-K25 PolarHBondContact O-N 3.12Å; K25-A28 PolarHBondContact O-N 3.32Å; K25-F29 HydrophobicContact CB-CD2 4.45Å; K25-F29 HydrophobicContact CB-CE2 4.2Å; K25-F29 WeakPolarHBondContact O-CD2 3.38Å; K25-F29 WeakPolarHBondContact O-CG 3.33Å; K25-F29 PolarHBondContact O-N 2.75Å
26	L	84.9	Confident	74.2	Confident	86 Å²	86	104.4 Å²	104.4	45%	0.45	52%	0.523	S	S	.	.	H	α-helix	trans	-63.8	-41.1	177.3	-67.3	171.1	0	0	0	111.8	F21 T22 Y23 F29 A30	F21-L26 HydrophobicContact CB-CD1 4.5Å; F21-L26 HydrophobicContact CB-CD2 4.35Å; F21-L26 HydrophobicContact CB-CG 4.34Å; F21-L26 HydrophobicContact CD1-CD2 3.59Å; F21-L26 HydrophobicContact CD1-CG 4.24Å; F21-L26 HydrophobicContact CE1-CD2 4.3Å; F21-L26 HydrophobicContact CG-CD2 4.3Å; T22-L26 PolarHBondContact O-N 2.81Å; T22-L26 VanDerWaalsContact O-N 3.17Å; Y23-L26 WeakPolarHBondContact O-CB 3.46Å; Y23-L26 PolarHBondContact O-N 3.13Å; L26-F29 PolarHBondContact O-N 3.1Å; L26-A30 WeakPolarHBondContact O-CB 3.48Å; L26-A30 PolarHBondContact O-N 3.42Å
27	L	84.6	Confident	75.6	Confident	89 Å²	89	102.9 Å²	102.9	47%	0.466	51%	0.508	S	S	.	.	H	α-helix	trans	-61.2	-45	171	-80.1	168.2	0	0	0	112.2	Y23 D24 A30 S31	Y23-L27 HydrophobicContact CD1-CD1 3.75Å; Y23-L27 HydrophobicContact CE1-CD1 3.45Å; Y23-L27 VanDerWaalsContact CE1-CD1 3.45Å; Y23-L27 HydrophobicContact CE1-CG 4.21Å; Y23-L27 PolarHBondContact O-N 3.46Å; D24-L27 PolarHBondContact O-N 2.93Å; L27-A30 PolarHBondContact O-N 3.12Å; L27-S31 WeakPolarHBondContact O-CB 3.36Å; L27-S31 PolarHBondContact O-N 3.18Å
28	A	82.3	Confident	76.8	Confident	45 Å²	45	101.7 Å²	101.7	37%	0.372	50%	0.502	S	S	.	.	H	α-helix	trans	-63.3	-42.2	177.5	0	0	0	0	0	112.2	D24 K25 S31 R32	D24-A28 WeakPolarHBondContact O-CB 3.4Å; D24-A28 PolarHBondContact O-N 2.77Å; K25-A28 PolarHBondContact O-N 3.32Å; A28-S31 PolarHBondContact O-N 2.96Å; A28-R32 WeakPolarHBondContact O-CB 3.26Å; A28-R32 WeakPolarHBondContact O-CG 3.38Å; A28-R32 PolarHBondContact O-N 3.21Å
29	F	84.6	Confident	77.7	Confident	75 Å²	75	101.5 Å²	101.5	33%	0.329	49%	0.489	S	S	.	.	H	α-helix	trans	-63.1	-44.4	173.5	-72.1	-55.1	0	0	0	111.9	F21 K25 L26 S31 R32 Y33 L342	F21-F29 HydrophobicContact CD1-CD2 4.48Å; F21-F29 HydrophobicContact CD1-CE2 4.16Å; F21-F29 HydrophobicContact CE1-CD2 4.15Å; F21-F29 AromaticContact CE1-CE2 3.71Å; F21-F29 HydrophobicContact CE1-CE2 3.71Å; K25-F29 HydrophobicContact CB-CD2 4.45Å; K25-F29 HydrophobicContact CB-CE2 4.2Å; K25-F29 WeakPolarHBondContact O-CD2 3.38Å; K25-F29 WeakPolarHBondContact O-CG 3.33Å; K25-F29 PolarHBondContact O-N 2.75Å; L26-F29 PolarHBondContact O-N 3.1Å; F29-S31 VanDerWaalsContact C-N 3.33Å; F29-S31 PolarHBondContact O-N 2.87Å; F29-R32 PolarHBondContact O-N 3.09Å; F29-Y33 VanDerWaalsContact O-CB 3.31Å; F29-Y33 WeakPolarHBondContact O-CB 3.18Å; F29-Y33 PolarHBondContact O-N 2.99Å; F29-L342 HydrophobicContact CE1-CD1 4.15Å; F29-L342 HydrophobicContact CZ-CD1 4.36Å
30	A	84.1	Confident	78.4	Confident	46 Å²	46	96.9 Å²	96.9	38%	0.38	47%	0.465	S	S	.	.	H	α-helix	trans	-61.9	-40.2	175.7	0	0	0	0	0	112.1	L26 L27 N34	L26-A30 WeakPolarHBondContact O-CB 3.48Å; L26-A30 PolarHBondContact O-N 3.42Å; L27-A30 PolarHBondContact O-N 3.12Å; A30-N34 VanDerWaalsContact O-CB 3.32Å; A30-N34 WeakPolarHBondContact O-CB 3.37Å; A30-N34 VanDerWaalsContact O-CG 3.23Å; A30-N34 PolarHBondContact O-N 3.43Å; A30-N34 PolarHBondContact O-ND2 3.22Å; A30-N34 VanDerWaalsContact O-ND2 3.12Å
31	S	81.5	Confident	78.6	Confident	72 Å²	72	98.1 Å²	98.1	50%	0.503	47%	0.468	S	S	.	.	H	α-helix	trans	-64	-49.8	175.1	-174.6	0	0	0	0	112.1	L27 A28 F29 Y33 N34 R35	L27-S31 WeakPolarHBondContact O-CB 3.36Å; L27-S31 PolarHBondContact O-N 3.18Å; A28-S31 PolarHBondContact O-N 2.96Å; F29-S31 VanDerWaalsContact C-N 3.33Å; F29-S31 PolarHBondContact O-N 2.87Å; S31-Y33 PolarHBondContact O-N 3.28Å; S31-N34 PolarHBondContact O-N 3.1Å; S31-R35 PolarHBondContact O-N 3.22Å
32	R	79.3	Confident	78.5	Confident	120 Å²	120	98.2 Å²	98.2	45%	0.453	47%	0.473	S	S	.	.	H	α-helix	trans	-58.7	-44.5	175.6	-73.6	177.4	177.9	-174.1	0.5	111.7	A28 F29 R35 R36	A28-R32 WeakPolarHBondContact O-CB 3.26Å; A28-R32 WeakPolarHBondContact O-CG 3.38Å; A28-R32 PolarHBondContact O-N 3.21Å; F29-R32 PolarHBondContact O-N 3.09Å; R32-R35 PolarHBondContact O-N 2.82Å; R32-R36 WeakPolarHBondContact O-CB 3.44Å; R32-R36 PolarHBondContact O-N 3.4Å
33	Y	79.7	Confident	77.7	Confident	147 Å²	147	99.2 Å²	99.2	58%	0.576	48%	0.483	S	S	*	.	H	α-helix	trans	-61.9	-46.9	175.9	-179.8	-95.6	0	0	0	112.1	F29 S31 R35 R36 L37	F29-Y33 VanDerWaalsContact O-CB 3.31Å; F29-Y33 WeakPolarHBondContact O-CB 3.18Å; F29-Y33 PolarHBondContact O-N 2.99Å; S31-Y33 PolarHBondContact O-N 3.28Å; Y33-R35 PolarHBondContact O-N 3.38Å; Y33-R36 PolarHBondContact O-N 2.81Å; Y33-L37 HydrophobicContact CE1-CD1 3.98Å; Y33-L37 WeakPolarHBondContact O-CB 3.14Å; Y33-L37 PolarHBondContact O-N 2.62Å
34	N	83.7	Confident	77.1	Confident	90 Å²	90	98.4 Å²	98.4	48%	0.481	48%	0.479	S	S	.	.	H	α-helix	trans	-63.2	-39.8	177.9	-76.6	-31.7	0	0	0	112.3	A30 S31 L37 Q38	A30-N34 VanDerWaalsContact O-CB 3.32Å; A30-N34 WeakPolarHBondContact O-CB 3.37Å; A30-N34 VanDerWaalsContact O-CG 3.23Å; A30-N34 PolarHBondContact O-N 3.43Å; A30-N34 PolarHBondContact O-ND2 3.22Å; A30-N34 VanDerWaalsContact O-ND2 3.12Å; S31-N34 PolarHBondContact O-N 3.1Å; N34-L37 PolarHBondContact O-N 3.34Å; N34-Q38 WeakPolarHBondContact O-CG 3.45Å; N34-Q38 PolarHBondContact O-N 3.21Å
35	R	77.1	Confident	76.2	Confident	147 Å²	147	96 Å²	96	56%	0.555	47%	0.466	S	S	*	.	H	α-helix	trans	-62.1	-49.1	174.3	-170.7	-169.9	-76.2	-178.8	-3.1	111.2	S31 R32 Y33 L37 Q38 Q39 D332	S31-R35 PolarHBondContact O-N 3.22Å; R32-R35 PolarHBondContact O-N 2.82Å; Y33-R35 PolarHBondContact O-N 3.38Å; R35-L37 VanDerWaalsContact C-N 3.33Å; R35-L37 PolarHBondContact O-N 3.34Å; R35-Q38 PolarHBondContact O-N 3.34Å; R35-Q38 VanDerWaalsContact O-N 3.15Å; R35-Q39 PolarHBondContact O-N 3.49Å; R35-D332 IonicContact CZ-OD2 3.54Å; R35-D332 IonicContact NH1-OD2 3.16Å; R35-D332 PolarHBondContact NH1-OD2 3.46Å
36	R	77.2	Confident	75.5	Confident	87 Å²	87	95.4 Å²	95.4	33%	0.328	47%	0.471	S	S	.	.	H	α-helix	trans	-58.6	-42.1	175.7	177.5	170.6	166.9	177	-6.9	112.1	R32 Y33 Q38 Q39 D40 D339 R365	R32-R36 WeakPolarHBondContact O-CB 3.44Å; R32-R36 PolarHBondContact O-N 3.4Å; Y33-R36 PolarHBondContact O-N 2.81Å; R36-Q38 VanDerWaalsContact C-N 3.32Å; R36-Q38 PolarHBondContact O-N 3.02Å; R36-Q39 PolarHBondContact O-N 2.84Å; R36-D40 WeakPolarHBondContact O-CB 3.28Å; R36-D40 PolarHBondContact O-N 3.41Å; R36-D339 IonicContact CZ-OD1 2.74Å; R36-D339 IonicContact CZ-OD2 2.62Å; R36-D339 IonicContact NH1-OD1 3.82Å; R36-D339 PolarHBondContact NH1-OD1 2.81Å; R36-D339 IonicContact NH1-OD2 3.35Å; R36-D339 IonicContact NH2-OD1 3.62Å; R36-D339 PolarHBondContact NH2-OD1 3.1Å; R36-D339 IonicContact NH2-OD2 2.84Å; R36-D339 PolarHBondContact NH2-OD2 2.8Å; R36-R365 VanDerWaalsContact NH2-CZ 3.34Å; R36-R365 VanDerWaalsContact NH2-NH1 3.19Å
37	L	74.8	Confident	74.6	Confident	60 Å²	60	96.5 Å²	96.5	31%	0.314	47%	0.473	S	S	.	.	H	α-helix	trans	-70.2	-24.9	178.2	-166.9	125.7	0	0	0	113.3	Y33 N34 R35 K41	Y33-L37 HydrophobicContact CE1-CD1 3.98Å; Y33-L37 WeakPolarHBondContact O-CB 3.14Å; Y33-L37 PolarHBondContact O-N 2.62Å; N34-L37 PolarHBondContact O-N 3.34Å; R35-L37 VanDerWaalsContact C-N 3.33Å; R35-L37 PolarHBondContact O-N 3.34Å; L37-K41 HydrophobicContact CD2-CD 4.29Å; L37-K41 VanDerWaalsContact CD2-NZ 3.34Å; L37-K41 WeakPolarHBondContact O-CB 3.34Å; L37-K41 WeakPolarHBondContact O-CD 3.44Å; L37-K41 VanDerWaalsContact O-CG 3.22Å; L37-K41 WeakPolarHBondContact O-CG 3.26Å; L37-K41 PolarHBondContact O-N 2.92Å
38	Q	72.7	Confident	73.7	Confident	129 Å²	129	97.6 Å²	97.6	60%	0.603	48%	0.479	S	S	*	.	H	α-helix	trans	-74.5	-41.5	167.2	-71.4	179.6	18.5	0	0	111.5	N34 R35 R36 K41 L42	N34-Q38 WeakPolarHBondContact O-CG 3.45Å; N34-Q38 PolarHBondContact O-N 3.21Å; R35-Q38 PolarHBondContact O-N 3.34Å; R35-Q38 VanDerWaalsContact O-N 3.15Å; R36-Q38 VanDerWaalsContact C-N 3.32Å; R36-Q38 PolarHBondContact O-N 3.02Å; Q38-K41 WeakPolarHBondContact O-CB 3.46Å; Q38-K41 PolarHBondContact O-N 3.1Å; Q38-L42 WeakPolarHBondContact O-CG 3.43Å; Q38-L42 PolarHBondContact O-N 3.03Å
39	Q	72.5	Confident	72.8	Confident	132 Å²	132	97.1 Å²	97.1	62%	0.617	47%	0.47	S	S	*	.	H	α-helix	trans	-64.5	-45.1	178.1	-168.3	173.8	4.6	0	0	112.3	R35 R36 K41 L42 S43	R35-Q39 PolarHBondContact O-N 3.49Å; R36-Q39 PolarHBondContact O-N 2.84Å; Q39-K41 PolarHBondContact O-N 3.05Å; Q39-L42 PolarHBondContact O-N 2.86Å; Q39-L42 VanDerWaalsContact O-N 3.15Å; Q39-S43 PolarHBondContact O-N 3.48Å; Q39-S43 PolarHBondContact O-OG 2.61Å
40	D	72	Confident	72.2	Confident	50 Å²	50	99.5 Å²	99.5	27%	0.267	50%	0.496	S	S	.	.	H	α-helix	trans	-63.9	-26.8	173.6	-80.8	-5.9	0	0	0	112.3	R36 S43 R44 R365	R36-D40 WeakPolarHBondContact O-CB 3.28Å; R36-D40 PolarHBondContact O-N 3.41Å; D40-S43 WeakPolarHBondContact CA-OG 3.44Å; D40-S43 PolarHBondContact O-OG 3.21Å; D40-R44 WeakPolarHBondContact O-CB 3.44Å; D40-R44 WeakPolarHBondContact O-CD 3.25Å; D40-R44 WeakPolarHBondContact O-CG 3.37Å; D40-R365 IonicContact OD1-NH2 3.63Å; D40-R365 PolarHBondContact OD1-NH2 2.81Å; D40-R365 IonicContact OD2-NH2 2.87Å; D40-R365 PolarHBondContact OD2-NH2 2.94Å
41	K	66.4	Low	71.7	Confident	125 Å²	125	101.4 Å²	101.4	54%	0.543	51%	0.511	S	S	.	.	H	α-helix	trans	-75.8	-39.6	171.1	-80.7	170.9	178.9	173	0	112.2	L37 Q38 Q39	L37-K41 HydrophobicContact CD2-CD 4.29Å; L37-K41 VanDerWaalsContact CD2-NZ 3.34Å; L37-K41 WeakPolarHBondContact O-CB 3.34Å; L37-K41 WeakPolarHBondContact O-CD 3.44Å; L37-K41 VanDerWaalsContact O-CG 3.22Å; L37-K41 WeakPolarHBondContact O-CG 3.26Å; L37-K41 PolarHBondContact O-N 2.92Å; Q38-K41 WeakPolarHBondContact O-CB 3.46Å; Q38-K41 PolarHBondContact O-N 3.1Å; Q39-K41 PolarHBondContact O-N 3.05Å
42	L	67.1	Low	71.3	Confident	116 Å²	116	101.8 Å²	101.8	61%	0.607	51%	0.511	S	S	*	.	H	α-helix	trans	-70	-38.5	179.2	-72.7	168.5	0	0	0	112.1	Q38 Q39 R44 L45	Q38-L42 WeakPolarHBondContact O-CG 3.43Å; Q38-L42 PolarHBondContact O-N 3.03Å; Q39-L42 PolarHBondContact O-N 2.86Å; Q39-L42 VanDerWaalsContact O-N 3.15Å; L42-R44 VanDerWaalsContact C-N 3.32Å; L42-R44 PolarHBondContact O-N 3.15Å; L42-L45 HydrophobicContact CD2-CD1 3.96Å; L42-L45 WeakPolarHBondContact O-CB 3.48Å; L42-L45 PolarHBondContact O-N 2.88Å
43	S	67.6	Low	70.9	Confident	86 Å²	86	98.7 Å²	98.7	60%	0.601	52%	0.516	S	S	*	.	H	α-helix	trans	-69.9	-27.5	177.6	63.1	0	0	0	0	113.4	Q39 D40 L45	Q39-S43 PolarHBondContact O-N 3.48Å; Q39-S43 PolarHBondContact O-OG 2.61Å; D40-S43 WeakPolarHBondContact CA-OG 3.44Å; D40-S43 PolarHBondContact O-OG 3.21Å; S43-L45 VanDerWaalsContact C-N 3.25Å; S43-L45 PolarHBondContact O-N 2.77Å
44	R	66.3	Low	70.4	Confident	156 Å²	156	97.1 Å²	97.1	59%	0.589	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	9.4	174.5	-68.3	175.8	-171.3	-113.6	3.6	113.8	D40 L42 P46 F47 E391	D40-R44 WeakPolarHBondContact O-CB 3.44Å; D40-R44 WeakPolarHBondContact O-CD 3.25Å; D40-R44 WeakPolarHBondContact O-CG 3.37Å; L42-R44 VanDerWaalsContact C-N 3.32Å; L42-R44 PolarHBondContact O-N 3.15Å; R44-P46 CarbonylContact O-C 3.41Å; R44-F47 PolarHBondContact O-N 2.76Å; R44-E391 IonicContact NH2-OE2 2.72Å
45	L	62.4	Low	69.6	Low	61 Å²	61	94.7 Å²	94.7	32%	0.319	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-86.2	140.6	176.3	-69.9	171.1	0	0	0	112.5	L42 S43 Q56 P58	L42-L45 HydrophobicContact CD2-CD1 3.96Å; L42-L45 WeakPolarHBondContact O-CB 3.48Å; L42-L45 PolarHBondContact O-N 2.88Å; S43-L45 VanDerWaalsContact C-N 3.25Å; S43-L45 PolarHBondContact O-N 2.77Å; L45-Q56 WeakPolarHBondContact CD2-O 3.43Å; L45-P58 HydrophobicContact CD1-CB 3.87Å; L45-P58 HydrophobicContact CD1-CG 4.06Å
46	P	65.7	Low	68.9	Low	84 Å²	84	92 Å²	92	55%	0.545	50%	0.503	S	S	.	.	S	Bend	cis	-81.1	124.7	-0.4	32.1	-33.1	0	0	0	112.1	R44 L48 A55	R44-P46 CarbonylContact O-C 3.41Å; P46-L48 PolarHBondContact O-N 2.92Å; P46-A55 HydrophobicContact CB-CB 4.08Å
47	F	65.5	Low	68.2	Low	109 Å²	109	97.5 Å²	97.5	48%	0.478	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	123.1	174.6	170.9	-105	0	0	0	109.4	R44 D49 Q56	R44-F47 PolarHBondContact O-N 2.76Å; F47-D49 HydrophobicContact CE1-CB 4.38Å; F47-D49 PolarHBondContact O-N 3.3Å; F47-Q56 HydrophobicContact CD1-CG 4.47Å; F47-Q56 WeakPolarHBondContact O-CB 3.3Å; F47-Q56 PolarHBondContact O-N 3.04Å
48	L	64.7	Low	67.4	Low	112 Å²	112	99.5 Å²	99.5	59%	0.586	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	114.7	171.3	-74.9	161.4	0	0	0	108.7	P46 S50 G53 A55	P46-L48 PolarHBondContact O-N 2.92Å; L48-S50 PolarHBondContact O-N 3.07Å; L48-G53 WeakPolarHBondContact CD2-O 3.46Å; L48-A55 HydrophobicContact CD2-CB 3.98Å
49	D	63.2	Low	66.7	Low	36 Å²	36	96.8 Å²	96.8	19%	0.193	54%	0.535	C	S	.	.			trans	-67.3	117.2	173.3	165.8	24	0	0	0	110.1	F47 A51 T52 G53 I54 Q56	F47-D49 HydrophobicContact CE1-CB 4.38Å; F47-D49 PolarHBondContact O-N 3.3Å; D49-A51 PolarHBondContact O-N 3.09Å; D49-A51 VanDerWaalsContact O-N 3.16Å; D49-A51 PolarHBondContact OD1-N 2.92Å; D49-T52 VanDerWaalsContact CG-OG1 3.31Å; D49-T52 PolarHBondContact O-N 3.12Å; D49-T52 VanDerWaalsContact O-N 3.16Å; D49-T52 WeakPolarHBondContact OD2-CB 3.42Å; D49-T52 VanDerWaalsContact OD2-CG2 3.26Å; D49-T52 WeakPolarHBondContact OD2-CG2 3.49Å; D49-T52 PolarHBondContact OD2-OG1 3.18Å; D49-G53 WeakPolarHBondContact O-CA 3.35Å; D49-G53 PolarHBondContact O-N 2.83Å; D49-I54 PolarHBondContact N-O 2.76Å; D49-I54 VanDerWaalsContact N-O 3.16Å; D49-Q56 HydrophobicContact CB-CG 4.29Å
50	S	73.5	Confident	66.1	Low	124 Å²	124	96.2 Å²	96.2	87%	0.867	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.4	-177.3	57.9	0	0	0	0	114.1	L48	L48-S50 PolarHBondContact O-N 3.07Å
51	A	72.7	Confident	65.4	Low	86 Å²	86	100.2 Å²	100.2	71%	0.711	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-21.9	177.3	0	0	0	0	0	113.7	D49	D49-A51 PolarHBondContact O-N 3.09Å; D49-A51 VanDerWaalsContact O-N 3.16Å; D49-A51 PolarHBondContact OD1-N 2.92Å
52	T	73.8	Confident	65.2	Low	80 Å²	80	104.1 Å²	104.1	49%	0.491	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-124.9	-14.9	-174.6	62.1	0	0	0	0	114.7	D49 I54	D49-T52 VanDerWaalsContact CG-OG1 3.31Å; D49-T52 PolarHBondContact O-N 3.12Å; D49-T52 VanDerWaalsContact O-N 3.16Å; D49-T52 WeakPolarHBondContact OD2-CB 3.42Å; D49-T52 VanDerWaalsContact OD2-CG2 3.26Å; D49-T52 WeakPolarHBondContact OD2-CG2 3.49Å; D49-T52 PolarHBondContact OD2-OG1 3.18Å; T52-I54 PolarHBondContact O-N 3.21Å; T52-I54 PolarHBondContact OG1-N 3.14Å
53	G	70.4	Confident	65.3	Low	55 Å²	55	100.8 Å²	100.8	57%	0.567	55%	0.548	S	S	*	.			trans	66.9	5	-170.2	0	0	0	0	0	113.8	L48 D49	L48-G53 WeakPolarHBondContact CD2-O 3.46Å; D49-G53 WeakPolarHBondContact O-CA 3.35Å; D49-G53 PolarHBondContact O-N 2.83Å
54	I	69.2	Low	65.2	Low	114 Å²	114	101.1 Å²	101.1	59%	0.585	54%	0.543	S	S	*	.			trans	-86.1	125.5	-176.3	-62	173.8	0	0	0	109.4	D49 T52 Q56	D49-I54 PolarHBondContact N-O 2.76Å; D49-I54 VanDerWaalsContact N-O 3.16Å; T52-I54 PolarHBondContact O-N 3.21Å; T52-I54 PolarHBondContact OG1-N 3.14Å; I54-Q56 PolarHBondContact O-N 2.88Å
55	A	67.1	Low	65.6	Low	39 Å²	39	100.8 Å²	100.8	32%	0.322	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	102.1	171.2	0	0	0	0	0	110.4	P46 L48 R57	P46-A55 HydrophobicContact CB-CB 4.08Å; L48-A55 HydrophobicContact CD2-CB 3.98Å; A55-R57 PolarHBondContact O-N 3.27Å
56	Q	62.8	Low	66.4	Low	91 Å²	91	108.3 Å²	108.3	43%	0.425	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-65.3	100.5	172.2	-65.6	-161.7	6.4	0	0	109.3	L45 F47 D49 I54	L45-Q56 WeakPolarHBondContact CD2-O 3.43Å; F47-Q56 HydrophobicContact CD1-CG 4.47Å; F47-Q56 WeakPolarHBondContact O-CB 3.3Å; F47-Q56 PolarHBondContact O-N 3.04Å; D49-Q56 HydrophobicContact CB-CG 4.29Å; I54-Q56 PolarHBondContact O-N 2.88Å
57	R	61.6	Low	66.8	Low	202 Å²	202	106.5 Å²	106.5	76%	0.762	56%	0.557	S	S	*	*			trans	-71.9	149.7	166.6	-63.6	-178.8	-179.2	-170.7	-1.7	109	A55 C59	A55-R57 PolarHBondContact O-N 3.27Å; R57-C59 PolarHBondContact O-N 2.95Å; R57-C59 PolarHBondContact O-SG 3.45Å
58	P	57.9	Low	67.4	Low	102 Å²	102	105.7 Å²	105.7	66%	0.662	55%	0.55	S	S	*	*			trans	-57.1	111.9	173.1	22.2	-30.5	0	0	0	109.4	L45	L45-P58 HydrophobicContact CD1-CB 3.87Å; L45-P58 HydrophobicContact CD1-CG 4.06Å
59	C	58.4	Low	68	Low	73 Å²	73	103.4 Å²	103.4	49%	0.493	54%	0.537	S	S	.	.			trans	-117.4	154.1	-174.4	48.1	0	0	0	0	110.3	R57 L61	R57-C59 PolarHBondContact O-N 2.95Å; R57-C59 PolarHBondContact O-SG 3.45Å; C59-L61 PolarHBondContact O-N 3.48Å
60	L	59.1	Low	68.8	Low	119 Å²	119	104.5 Å²	104.5	62%	0.623	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	56.4	-173.7	-58.2	174.2	0	0	0	112	R63	L60-R63 WeakPolarHBondContact O-CD 3.45Å; L60-R63 PolarHBondContact O-NE 3.2Å
61	L	58.5	Low	68.9	Low	134 Å²	134	99.8 Å²	99.8	70%	0.702	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-46.3	172.2	-70.3	170.7	0	0	0	110.5	C59 R63	C59-L61 PolarHBondContact O-N 3.48Å; L61-R63 PolarHBondContact O-N 2.73Å
62	Y	61.5	Low	69	Low	208 Å²	208	103.5 Å²	103.5	82%	0.816	53%	0.525	S	S	*	.	S	Bend	trans	-73.1	118.1	170.8	-59.8	-74.8	0	0	0	109
63	R	68.7	Low	69	Low	45 Å²	45	108.6 Å²	108.6	17%	0.17	55%	0.548	C	S	.	.			trans	-114.5	128	176.6	-63.3	-56.9	-163.7	86.2	15.5	110.1	L60 L61 E67 R68 Y79 R80 H82	L60-R63 WeakPolarHBondContact O-CD 3.45Å; L60-R63 PolarHBondContact O-NE 3.2Å; L61-R63 PolarHBondContact O-N 2.73Å; R63-E67 WeakPolarHBondContact CA-OE2 3.2Å; R63-E67 HydrophobicContact CB-CB 4.47Å; R63-E67 WeakPolarHBondContact CD-OE2 3.38Å; R63-R68 PolarHBondContact O-NE 2.85Å; R63-R68 PolarHBondContact O-NH2 3.24Å; R63-Y79 HydrophobicContact CB-CD1 3.7Å; R63-Y79 HydrophobicContact CB-CE1 3.71Å; R63-Y79 HydrophobicContact CG-CD1 3.76Å; R63-Y79 HydrophobicContact CG-CE1 4.08Å; R63-R80 PolarHBondContact NH1-O 3.08Å; R63-R80 PolarHBondContact NH2-O 2.92Å; R63-H82 VanDerWaalsContact CZ-CD2 3.41Å; R63-H82 VanDerWaalsContact CZ-NE2 3.26Å; R63-H82 PolarHBondContact NH1-NE2 3.14Å; R63-H82 VanDerWaalsContact NH1-NE2 3.19Å; R63-H82 PolarHBondContact NH2-CD2 3.29Å
64	N	67	Low	69.4	Low	93 Å²	93	112.4 Å²	112.4	50%	0.497	56%	0.56	S	S	.	*			trans	-61.2	152	179.2	-63.2	-62.5	0	0	0	110	R66 E67 R68	N64-R66 HydrophobicContact CB-CG 3.79Å; N64-R66 PolarHBondContact O-N 2.95Å; N64-E67 HydrophobicContact CB-CG 4.26Å; N64-E67 PolarHBondContact N-OE2 3.12Å; N64-E67 PolarHBondContact ND2-OE1 3.41Å; N64-E67 WeakPolarHBondContact O-CB 3.41Å; N64-E67 PolarHBondContact O-N 3.15Å; N64-R68 WeakPolarHBondContact O-CG 3.28Å
65	Q	74.9	Confident	69.8	Low	150 Å²	150	112 Å²	112	70%	0.701	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-57.6	-38.1	-179	-171.9	168.2	-12.3	0	0	111.9	E67 R68	Q65-E67 PolarHBondContact O-N 3.04Å; Q65-E67 VanDerWaalsContact O-N 3.15Å; Q65-R68 WeakPolarHBondContact O-CB 3.38Å; Q65-R68 PolarHBondContact O-N 2.54Å
66	R	78.6	Confident	70.3	Confident	219 Å²	219	115.9 Å²	115.9	83%	0.826	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-62.1	-9.5	171.3	59.6	-176	-73.6	-91.3	5.2	116.5	N64	N64-R66 HydrophobicContact CB-CG 3.79Å; N64-R66 PolarHBondContact O-N 2.95Å
67	E	72.8	Confident	71.1	Confident	45 Å²	45	116.6 Å²	116.6	21%	0.21	58%	0.575	C	S	.	*	G	3₁₀ helix	trans	-100.6	-2	174.7	-66.5	157.2	-162.4	0	0	112.7	R63 N64 Q65	R63-E67 WeakPolarHBondContact CA-OE2 3.2Å; R63-E67 HydrophobicContact CB-CB 4.47Å; R63-E67 WeakPolarHBondContact CD-OE2 3.38Å; N64-E67 HydrophobicContact CB-CG 4.26Å; N64-E67 PolarHBondContact N-OE2 3.12Å; N64-E67 PolarHBondContact ND2-OE1 3.41Å; N64-E67 WeakPolarHBondContact O-CB 3.41Å; N64-E67 PolarHBondContact O-N 3.15Å; Q65-E67 PolarHBondContact O-N 3.04Å; Q65-E67 VanDerWaalsContact O-N 3.15Å
68	R	79.7	Confident	72	Confident	92 Å²	92	112.7 Å²	112.7	35%	0.347	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.8	110	177.8	-44.4	-171.3	-171	-178.6	1	108	R63 N64 Q65 Y77 Y79	R63-R68 PolarHBondContact O-NE 2.85Å; R63-R68 PolarHBondContact O-NH2 3.24Å; N64-R68 WeakPolarHBondContact O-CG 3.28Å; Q65-R68 WeakPolarHBondContact O-CB 3.38Å; Q65-R68 PolarHBondContact O-N 2.54Å; R68-Y77 HydrophobicContact CB-CD1 3.59Å; R68-Y77 HydrophobicContact CB-CE1 4.24Å; R68-Y77 HydrophobicContact CB-CG 3.99Å; R68-Y79 HydrophobicContact CG-CD1 4.02Å; R68-Y79 HydrophobicContact CG-CE1 3.61Å
69	E	76.7	Confident	72.8	Confident	64 Å²	64	113.3 Å²	113.3	30%	0.299	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.6	149.1	164.4	-58.4	180	137.8	0	0	108.3	G71 Y77 R78 R80	E69-G71 PolarHBondContact O-N 2.87Å; E69-Y77 WeakPolarHBondContact O-CA 3.47Å; E69-R78 HydrophobicContact CB-CB 4.29Å; E69-R78 PolarHBondContact N-O 3.4Å; E69-R78 PolarHBondContact O-N 3.17Å; E69-R80 HydrophobicContact CG-CG 4.26Å; E69-R80 IonicContact OE1-CZ 2.69Å; E69-R80 IonicContact OE1-NE 2.74Å; E69-R80 PolarHBondContact OE1-NE 3.42Å; E69-R80 IonicContact OE1-NH2 3.42Å; E69-R80 PolarHBondContact OE1-NH2 2.71Å
70	G	80.5	Confident	73.6	Confident	60 Å²	60	117.8 Å²	117.8	62%	0.619	56%	0.557	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-59	137.4	168.2	0	0	0	0	0	110.1
71	G	75.1	Confident	74.1	Confident	25 Å²	25	117.5 Å²	117.5	26%	0.258	56%	0.564	S	S	.	*			trans	-78.3	-179.6	174.5	0	0	0	0	0	113	E69 Q75 V76	E69-G71 PolarHBondContact O-N 2.87Å; G71-Q75 CarbonylContact C-O 3.47Å; G71-Q75 WeakPolarHBondContact CA-O 3.3Å; G71-V76 PolarHBondContact N-O 2.84Å
72	Y	74.4	Confident	74.4	Confident	164 Å²	164	115.6 Å²	115.6	64%	0.643	55%	0.552	S	S	*	*			trans	-92.9	-176.6	170.9	-56.8	-73.5	0	0	0	110.3	T74 Q75	Y72-T74 PolarHBondContact O-N 3.12Å; Y72-Q75 PolarHBondContact O-N 3.18Å
73	L	74.5	Confident	74.9	Confident	187 Å²	187	116.2 Å²	116.2	98%	0.979	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.5	-22.5	-169.8	-63.9	172.4	0	0	0	117.6
74	T	78.8	Confident	74.2	Confident	135 Å²	135	126 Å²	126	83%	0.828	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.3	13.8	179.4	55	0	0	0	0	114	Y72	Y72-T74 PolarHBondContact O-N 3.12Å
75	Q	77.9	Confident	74.2	Confident	105 Å²	105	129.6 Å²	129.6	49%	0.491	60%	0.601	S	S	.	*			trans	-138.6	126	-176.5	-65.3	179.5	-10.5	0	0	110	G71 Y72	G71-Q75 CarbonylContact C-O 3.47Å; G71-Q75 WeakPolarHBondContact CA-O 3.3Å; Y72-Q75 PolarHBondContact O-N 3.18Å
76	V	76.3	Confident	73.7	Confident	121 Å²	121	132.2 Å²	132.2	73%	0.733	61%	0.61	S	S	*	*	S	Bend	trans	-72.7	-46.5	178.2	-171.2	0	0	0	0	111	G71	G71-V76 PolarHBondContact N-O 2.84Å
77	Y	79.5	Confident	72.6	Confident	105 Å²	105	126.8 Å²	126.8	41%	0.412	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.8	148.7	-179.8	-69.3	-64.7	0	0	0	112.1	R68 E69	R68-Y77 HydrophobicContact CB-CD1 3.59Å; R68-Y77 HydrophobicContact CB-CE1 4.24Å; R68-Y77 HydrophobicContact CB-CG 3.99Å; E69-Y77 WeakPolarHBondContact O-CA 3.47Å
78	R	80.3	Confident	71.7	Confident	120 Å²	120	133.7 Å²	133.7	45%	0.453	64%	0.635	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.4	120.9	170.8	-176.2	-174.6	-164.8	171	6.6	109.6	E69	E69-R78 HydrophobicContact CB-CB 4.29Å; E69-R78 PolarHBondContact N-O 3.4Å; E69-R78 PolarHBondContact O-N 3.17Å
79	Y	75.6	Confident	70.1	Confident	115 Å²	115	138.7 Å²	138.7	45%	0.451	65%	0.654	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.6	133.6	176.3	-58.5	-80.2	0	0	0	110.8	R63 R68 S81	R63-Y79 HydrophobicContact CB-CD1 3.7Å; R63-Y79 HydrophobicContact CB-CE1 3.71Å; R63-Y79 HydrophobicContact CG-CD1 3.76Å; R63-Y79 HydrophobicContact CG-CE1 4.08Å; R68-Y79 HydrophobicContact CG-CD1 4.02Å; R68-Y79 HydrophobicContact CG-CE1 3.61Å; Y79-S81 PolarHBondContact O-N 3.07Å
80	R	74.9	Confident	68.6	Low	168 Å²	168	142.7 Å²	142.7	63%	0.634	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-65.6	131.9	167.1	-73.3	-171.6	175.8	171.8	5.9	110	R63 E69	R63-R80 PolarHBondContact NH1-O 3.08Å; R63-R80 PolarHBondContact NH2-O 2.92Å; E69-R80 HydrophobicContact CG-CG 4.26Å; E69-R80 IonicContact OE1-CZ 2.69Å; E69-R80 IonicContact OE1-NE 2.74Å; E69-R80 PolarHBondContact OE1-NE 3.42Å; E69-R80 IonicContact OE1-NH2 3.42Å; E69-R80 PolarHBondContact OE1-NH2 2.71Å
81	S	69.1	Low	66.6	Low	112 Å²	112	142.6 Å²	142.6	78%	0.783	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-71.6	126.7	169.9	47.3	0	0	0	0	109.4	Y79 R83	Y79-S81 PolarHBondContact O-N 3.07Å; S81-R83 PolarHBondContact O-N 3.45Å
82	H	66.6	Low	65.1	Low	95 Å²	95	150.5 Å²	150.5	44%	0.44	71%	0.712	S	S	.	*	P	Polyproline II helix	trans	-68.8	123.5	170.6	-66.6	-74.8	0	0	0	108.6	R63 W84	R63-H82 VanDerWaalsContact CZ-CD2 3.41Å; R63-H82 VanDerWaalsContact CZ-NE2 3.26Å; R63-H82 PolarHBondContact NH1-NE2 3.14Å; R63-H82 VanDerWaalsContact NH1-NE2 3.19Å; R63-H82 PolarHBondContact NH2-CD2 3.29Å; H82-W84 PolarHBondContact O-N 3.15Å; H82-W84 VanDerWaalsContact O-N 3.12Å
83	R	70.9	Confident	63.5	Low	221 Å²	221	149.9 Å²	149.9	83%	0.834	72%	0.719	S	S	*	*			trans	-65	111.8	169.1	176.6	178.7	173.3	-171.6	-1.7	108.1	S81 K85	S81-R83 PolarHBondContact O-N 3.45Å; R83-K85 PolarHBondContact O-N 3.5Å
84	W	54.9	Low	61.6	Low	251 Å²	251	145 Å²	145	95%	0.951	70%	0.699	S	S	*	*			trans	-53.6	107.1	173.6	-68.4	82	0	0	0	110	H82	H82-W84 PolarHBondContact O-N 3.15Å; H82-W84 VanDerWaalsContact O-N 3.12Å
85	K	66.1	Low	59.9	Low	168 Å²	168	144.5 Å²	144.5	73%	0.73	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-95.6	121.5	169	-68.1	179.8	-179	176.8	0	106.8	R83 S87	R83-K85 PolarHBondContact O-N 3.5Å; K85-S87 PolarHBondContact O-N 3.25Å
86	K	63.6	Low	58.1	Low	205 Å²	205	147.1 Å²	147.1	89%	0.891	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-62.1	124.6	165	-179	175.2	-178.4	175.2	0	107	K88	K86-K88 PolarHBondContact O-N 3.48Å
87	S	56.1	Low	56.5	Low	105 Å²	105	148 Å²	148	73%	0.734	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-57.1	124.3	177	-174	0	0	0	0	109.5	K85 R89	K85-S87 PolarHBondContact O-N 3.25Å; S87-R89 PolarHBondContact O-N 3.42Å
88	K	54	Low	54.6	Low	190 Å²	190	154 Å²	154	83%	0.826	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-66.9	128.5	166.2	-74.4	-175.6	175.9	-178.5	0	106	K86 T90	K86-K88 PolarHBondContact O-N 3.48Å; K88-T90 PolarHBondContact O-N 2.87Å
89	R	46.7	Very low	52.5	Low	196 Å²	196	157.6 Å²	157.6	74%	0.74	76%	0.756	S	S	*	*			trans	-56.2	115	170.5	-81.7	-177.2	171.7	170.2	-1.3	107.7	S87 G91	S87-R89 PolarHBondContact O-N 3.42Å; R89-G91 PolarHBondContact O-N 3.18Å
90	T	45	Very low	50.7	Low	148 Å²	148	155.3 Å²	155.3	91%	0.908	77%	0.768	S	S	*	*			trans	-71.9	65.9	164.4	-41.8	0	0	0	0	108.1	K88	K88-T90 PolarHBondContact O-N 2.87Å
91	G	38.7	Very low	48.8	Very low	59 Å²	59	154.4 Å²	154.4	61%	0.608	78%	0.775	S	S	*	*			trans	-102.7	22	-169.8	0	0	0	0	0	113.3	R89 L93	R89-G91 PolarHBondContact O-N 3.18Å; G91-L93 PolarHBondContact O-N 3.26Å
92	Q	42.6	Very low	47.7	Very low	190 Å²	190	155.8 Å²	155.8	89%	0.888	78%	0.779	S	S	*	*			trans	-90.2	89.5	164.3	-77.9	178.6	-46.6	0	0	108.1
93	L	40.9	Very low	46.4	Very low	151 Å²	151	158.3 Å²	158.3	79%	0.791	79%	0.794	S	S	*	*			trans	-57.7	145.4	151.5	-82.2	161.5	0	0	0	108.1	G91 S95	G91-L93 PolarHBondContact O-N 3.26Å; L93-S95 PolarHBondContact O-N 3.14Å
94	P	36	Very low	44.9	Very low	84 Å²	84	155.3 Å²	155.3	55%	0.545	80%	0.795	S	S	.	*			trans	-51.7	127.7	175.5	-29.6	37.3	0	0	0	111.8	F96	P94-F96 HydrophobicContact CB-CD1 3.47Å; P94-F96 VanDerWaalsContact CB-CD1 3.47Å; P94-F96 HydrophobicContact CB-CE1 3.32Å; P94-F96 HydrophobicContact CB-CZ 4.25Å; P94-F96 HydrophobicContact CG-CE1 4.16Å; P94-F96 PolarHBondContact O-N 3.14Å
95	S	41.7	Very low	44	Very low	126 Å²	126	146.5 Å²	146.5	88%	0.881	78%	0.782	S	S	*	*	S	Bend	trans	-78.5	28.4	-164.4	-164.7	0	0	0	0	114.8	L93	L93-S95 PolarHBondContact O-N 3.14Å
96	F	41.3	Very low	42.8	Very low	159 Å²	159	145.6 Å²	145.6	70%	0.697	79%	0.791	S	S	*	*			trans	-98.2	10.6	-170.5	62.8	-114.5	0	0	0	115.5	P94	P94-F96 HydrophobicContact CB-CD1 3.47Å; P94-F96 VanDerWaalsContact CB-CD1 3.47Å; P94-F96 HydrophobicContact CB-CE1 3.32Å; P94-F96 HydrophobicContact CB-CZ 4.25Å; P94-F96 HydrophobicContact CG-CE1 4.16Å; P94-F96 PolarHBondContact O-N 3.14Å
97	L	42.3	Very low	41.5	Very low	141 Å²	141	140 Å²	140	74%	0.738	78%	0.782	S	S	*	*	S	Bend	trans	-117.2	19.8	-174.6	-68.8	177.7	0	0	0	115.6
98	Y	39.2	Very low	40.9	Very low	230 Å²	230	144.9 Å²	144.9	90%	0.902	79%	0.79	S	S	*	*			trans	-131.7	81.3	168.1	-84.2	-85.8	0	0	0	111
99	H	36.3	Very low	40	Very low	196 Å²	196	144.1 Å²	144.1	91%	0.907	79%	0.792	S	S	*	*			trans	-105.9	125.5	154.1	-109.9	-83.8	0	0	0	107.3
100	G	37.1	Very low	39.4	Very low	67 Å²	67	138.2 Å²	138.2	69%	0.691	79%	0.792	S	S	*	*			trans	175.6	63.7	-167.9	0	0	0	0	0	111.6
101	D	36.4	Very low	38.9	Very low	149 Å²	149	138.3 Å²	138.3	80%	0.797	79%	0.786	S	S	*	*			trans	24.5	119.2	151.5	-44	-31.1	0	0	0	119.7
102	V	44.3	Very low	38.5	Very low	141 Å²	141	141.7 Å²	141.7	86%	0.855	79%	0.79	S	S	*	*				-157.6	138.3	125.2	148.8	0	0	0	0	108.2
103	L	39.3	Very low	38	Very low	147 Å²	147	138 Å²	138	77%	0.77	79%	0.786	S	S	*	*			trans	-71.3	130	170.9	-82.8	64.4	0	0	0	111
104	N	40.7	Very low	37.6	Very low	158 Å²	158	137.2 Å²	137.2	85%	0.845	79%	0.791	S	S	*	*				174.7	139.3	110.7	-95.5	-30.4	0	0	0	114.7
105	G	36.5	Very low	37.5	Very low	66 Å²	66	137.9 Å²	137.9	68%	0.68	80%	0.798	S	S	*	*				94	116.1	121.7	0	0	0	0	0	120.2
106	V	40.6	Very low	37.1	Very low	150 Å²	150	141 Å²	141	91%	0.909	80%	0.795	S	S	*	*			trans	69.7	88.4	145.1	-164.4	0	0	0	0	117.8
107	A	36.6	Very low	37	Very low	86 Å²	86	141 Å²	141	71%	0.711	80%	0.803	S	S	*	*			trans	-36.9	151.7	156.4	0	0	0	0	0	117.3
108	K	43.1	Very low	36.8	Very low	209 Å²	209	141.3 Å²	141.3	91%	0.909	81%	0.81	S	S	*	*				-147.1	142.5	125.7	-132.4	173	-173.3	176.3	0	111.9
109	M	33.7	Very low	36.9	Very low	173 Å²	173	139.5 Å²	139.5	85%	0.852	81%	0.81	S	S	*	*			trans	-107.5	158.4	-174.3	58.4	-76.8	-171.2	0	0	112.7
110	G	35.5	Very low	37	Very low	72 Å²	72	136.3 Å²	136.3	74%	0.742	80%	0.8	S	S	*	*			trans	114.7	151.9	170.5	0	0	0	0	0	114.5
111	L	33.8	Very low	37	Very low	150 Å²	150	139 Å²	139	79%	0.785	80%	0.798	S	S	*	*			cis	-160.1	140.4	-10.7	-172.3	62.2	0	0	0	110.4
112	D	31.3	Very low	37.3	Very low	131 Å²	131	136.5 Å²	136.5	70%	0.701	79%	0.792	S	S	*	*			trans	47.7	134.4	157.2	-62.2	-10.4	0	0	0	124.6
113	S	32.3	Very low	37.1	Very low	113 Å²	113	140.4 Å²	140.4	79%	0.79	79%	0.792	S	S	*	*			trans	62.5	103.3	134.6	-64.1	0	0	0	0	120.9
114	C	32.2	Very low	36.9	Very low	134 Å²	134	137.2 Å²	137.2	91%	0.905	78%	0.781	S	S	*	*			trans	-125.9	127.9	138.3	-167.8	0	0	0	0	108.8
115	S	33.8	Very low	36.9	Very low	98 Å²	98	134.8 Å²	134.8	69%	0.685	77%	0.772	S	S	*	*			trans	-106	140.1	-179.7	-90.3	0	0	0	0	111.4
116	K	33.6	Very low	37	Very low	190 Å²	190	143.2 Å²	143.2	83%	0.826	78%	0.784	S	S	*	*			trans	50.4	95.5	152.1	-61	176.4	179.2	178.5	0	116.9
117	D	37.8	Very low	37.1	Very low	161 Å²	161	140.8 Å²	140.8	86%	0.861	78%	0.78	S	S	*	*			trans	-130.5	135.1	137.1	-87.3	-47.6	0	0	0	108
118	V	38	Very low	37.1	Very low	147 Å²	147	140.1 Å²	140.1	89%	0.891	77%	0.774	S	S	*	*			trans	-122.8	86.9	-179.3	-81	0	0	0	0	109.2
119	E	42.6	Very low	36.7	Very low	191 Å²	191	135.6 Å²	135.6	89%	0.893	77%	0.768	S	S	*	*			trans	-116.2	129	174.8	-69.4	-134.8	124.5	0	0	112
120	D	37.7	Very low	37.3	Very low	130 Å²	130	131.9 Å²	131.9	70%	0.695	76%	0.756	S	S	*	*			trans	-84.4	105.1	179.8	170.2	28.9	0	0	0	111.3
121	D	38	Very low	37.7	Very low	123 Å²	123	137.5 Å²	137.5	66%	0.658	76%	0.763	S	S	*	*			trans	-140.9	41.5	169.6	-163.1	20.3	0	0	0	111.5	R123	D121-R123 VanDerWaalsContact C-N 3.34Å
122	S	41.7	Very low	38.4	Very low	97 Å²	97	139.6 Å²	139.6	68%	0.678	76%	0.762	S	S	*	*			trans	-86.9	6.2	179.9	-67.5	0	0	0	0	114.6	S124	S122-S124 PolarHBondContact O-N 2.96Å
123	R	40.4	Very low	39.2	Very low	223 Å²	223	141 Å²	141	84%	0.842	77%	0.769	S	S	*	*			trans	-77.3	50.2	-174.1	-55.7	-174.7	97.4	114	-0.9	113.6	D121	D121-R123 VanDerWaalsContact C-N 3.34Å
124	S	35.4	Very low	40.1	Very low	79 Å²	79	142.5 Å²	142.5	55%	0.552	77%	0.766	S	S	*	*			trans	-127.5	39.8	176.8	61.7	0	0	0	0	112.9	S122 W126	S122-S124 PolarHBondContact O-N 2.96Å; S124-W126 PolarHBondContact O-N 3.3Å; S124-W126 VanDerWaalsContact O-N 3.13Å
125	T	40.1	Very low	40.5	Very low	107 Å²	107	143.5 Å²	143.5	66%	0.656	76%	0.762	S	S	*	*			trans	-83.3	77.9	175.1	-47.5	0	0	0	0	110.7	A127 A128	T125-A127 PolarHBondContact O-N 3.48Å; T125-A128 HydrophobicContact CG2-CB 4.42Å
126	W	39.9	Very low	41	Very low	244 Å²	244	144.3 Å²	144.3	92%	0.924	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	55.6	-177.7	-59.9	84.8	0	0	0	113.6	S124	S124-W126 PolarHBondContact O-N 3.3Å; S124-W126 VanDerWaalsContact O-N 3.13Å
127	A	41.8	Very low	41.4	Very low	99 Å²	99	142.8 Å²	142.8	82%	0.818	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-160	-28.6	177.2	0	0	0	0	0	115.1	T125	T125-A127 PolarHBondContact O-N 3.48Å
128	A	36.1	Very low	41.7	Very low	72 Å²	72	139.4 Å²	139.4	60%	0.595	76%	0.763	S	S	*	*			trans	-82.8	145.3	-174.4	0	0	0	0	0	112.2	T125	T125-A128 HydrophobicContact CG2-CB 4.42Å
129	C	35.5	Very low	42	Very low	114 Å²	114	137 Å²	137	77%	0.77	75%	0.752	S	S	*	*			trans	-61.2	144.6	163.8	-71.1	0	0	0	0	109.6	E131	C129-E131 PolarHBondContact O-N 2.86Å
130	P	45.1	Very low	42	Very low	94 Å²	94	134.6 Å²	134.6	61%	0.61	75%	0.746	S	S	*	*			trans	-62.1	107.2	153.9	-11.9	27.9	0	0	0	106.9	Y132	P130-Y132 HydrophobicContact CB-CE2 4.17Å; P130-Y132 WeakPolarHBondContact O-CD2 3.47Å; P130-Y132 WeakPolarHBondContact O-CE2 3.48Å; P130-Y132 PolarHBondContact O-N 3.34Å
131	E	44.8	Very low	42.3	Very low	190 Å²	190	137.5 Å²	137.5	89%	0.888	75%	0.753	S	S	*	*			trans	-67.1	108.5	166.8	-165.9	157.6	-142.5	0	0	106.3	C129 D133	C129-E131 PolarHBondContact O-N 2.86Å; E131-D133 VanDerWaalsContact C-N 3.33Å; E131-D133 PolarHBondContact O-N 3.41Å
132	Y	47.6	Very low	42.7	Very low	194 Å²	194	136.1 Å²	136.1	76%	0.761	76%	0.758	S	S	*	*			trans	-79.8	89.2	179.8	-71.1	-88.4	0	0	0	107.9	P130 M134	P130-Y132 HydrophobicContact CB-CE2 4.17Å; P130-Y132 WeakPolarHBondContact O-CD2 3.47Å; P130-Y132 WeakPolarHBondContact O-CE2 3.48Å; P130-Y132 PolarHBondContact O-N 3.34Å; Y132-M134 PolarHBondContact O-N 3.41Å
133	D	49.3	Very low	42.8	Very low	160 Å²	160	138.9 Å²	138.9	86%	0.856	77%	0.766	S	S	*	*			trans	-51.5	122.1	168	-146.9	-7.6	0	0	0	108.2	E131	E131-D133 VanDerWaalsContact C-N 3.33Å; E131-D133 PolarHBondContact O-N 3.41Å
134	M	51.2	Low	42.7	Very low	145 Å²	145	135.5 Å²	135.5	71%	0.714	76%	0.759	S	S	*	*			trans	-80.6	144.3	-173	-79.5	-98.1	59.4	0	0	110.4	Y132 S136	Y132-M134 PolarHBondContact O-N 3.41Å; M134-S136 PolarHBondContact O-N 3.29Å
135	D	39.5	Very low	43	Very low	156 Å²	156	139.3 Å²	139.3	83%	0.834	77%	0.773	S	S	*	*			trans	-54.6	114.2	177.2	-56.5	-85.7	0	0	0	110.9
136	S	44.5	Very low	43	Very low	114 Å²	114	142.3 Å²	142.3	80%	0.797	78%	0.778	S	S	*	*			trans	-108.2	121.3	168.5	-178.7	0	0	0	0	108.7	M134	M134-S136 PolarHBondContact O-N 3.29Å
137	D	42.7	Very low	42.9	Very low	159 Å²	159	134.5 Å²	134.5	85%	0.85	77%	0.772	S	S	*	*			trans	-58.4	140.5	175.1	-60.5	-77.6	0	0	0	112.5
138	A	44.5	Very low	42.5	Very low	89 Å²	89	135.1 Å²	135.1	74%	0.736	77%	0.766	S	S	*	*			trans	-175.3	110.5	138.2	0	0	0	0	0	113.2
139	S	44.6	Very low	42.6	Very low	96 Å²	96	143.3 Å²	143.3	67%	0.671	78%	0.782	S	S	*	*			trans	38.5	112	137.3	65.5	0	0	0	0	121.8
140	D	42.6	Very low	42.6	Very low	142 Å²	142	148.8 Å²	148.8	76%	0.759	79%	0.786	S	S	*	*				78.9	134	114.2	-68.4	-53.5	0	0	0	124.9
141	F	43.7	Very low	42.5	Very low	191 Å²	191	156.6 Å²	156.6	84%	0.838	80%	0.803	S	S	*	*			trans	73	110.2	141.8	-90.6	-109.1	0	0	0	123.5
142	A	46.4	Very low	42.2	Very low	93 Å²	93	159 Å²	159	77%	0.769	80%	0.804	S	S	*	*			trans	64.6	163.4	138.6	0	0	0	0	0	119
143	D	42.3	Very low	42	Very low	156 Å²	156	159.1 Å²	159.1	83%	0.834	81%	0.809	S	S	*	*			cis	-141.9	170.4	-1.3	-163.5	7.3	0	0	0	110.3
144	E	39.8	Very low	41.7	Very low	152 Å²	152	161 Å²	161	71%	0.71	81%	0.809	S	S	*	*			trans	-78.8	150.9	178	-64.1	-164.3	175.8	0	0	114.4
145	N	40.9	Very low	40.9	Very low	158 Å²	158	157.2 Å²	157.2	85%	0.845	81%	0.807	S	S	*	*			trans	-155	156.9	139.6	-146.4	-17.2	0	0	0	114.6
146	F	39.3	Very low	41	Very low	171 Å²	171	161.7 Å²	161.7	75%	0.75	81%	0.812	S	S	*	*			trans	-88.4	152.6	-172.7	-77.5	-120.8	0	0	0	113.6
147	G	38.3	Very low	40.6	Very low	79 Å²	79	162.9 Å²	162.9	81%	0.814	82%	0.815	S	S	*	*			trans	-156.6	45	-175.8	0	0	0	0	0	117.2
148	V	34	Very low	40.7	Very low	113 Å²	113	160.8 Å²	160.8	69%	0.685	81%	0.81	S	S	*	*			trans	-69.4	130.2	-174.3	176.7	0	0	0	0	114.2
149	R	37.9	Very low	40.3	Very low	244 Å²	244	167.3 Å²	167.3	92%	0.921	82%	0.815	S	S	*	*			trans	-159.1	126.3	142.3	-104.1	138.9	-153.8	-112.8	2.7	114.9
150	R	36.2	Very low	40.2	Very low	228 Å²	228	169.6 Å²	169.6	86%	0.86	82%	0.819	S	S	*	*			trans	-101.8	147.5	173	-57	169	176.4	139.8	-4.9	110.7
151	R	41.4	Very low	39.9	Very low	259 Å²	259	167.1 Å²	167.1	98%	0.977	81%	0.812	S	S	*	*			trans	-142.9	157.9	145.9	-81.9	-154.6	165.2	-176.6	-3.8	112.5
152	R	38.6	Very low	39.6	Very low	239 Å²	239	169.4 Å²	169.4	90%	0.902	82%	0.815	S	S	*	*			trans	-126.7	139.9	-168.2	-69.5	166.8	159.1	166.4	-9.3	112.4
153	K	45.1	Very low	39.2	Very low	198 Å²	198	169.4 Å²	169.4	86%	0.861	81%	0.81	S	S	*	*			trans	-170	127.1	141.5	-112.7	164.6	173.5	178.9	0	106.9
154	K	41.8	Very low	39	Very low	200 Å²	200	168.5 Å²	168.5	87%	0.87	81%	0.805	S	S	*	*				63.8	114.5	52.6	-173.1	-176.7	-178.2	178.6	0	111.3
155	G	35.9	Very low	39.2	Very low	64 Å²	64	171.4 Å²	171.4	66%	0.66	81%	0.811	S	S	*	*			cis	152.2	-173.6	-2.5	0	0	0	0	0	112.3
156	R	40.5	Very low	39.2	Very low	251 Å²	251	168.7 Å²	168.7	95%	0.947	81%	0.805	S	S	*	*			trans	105.9	135.8	178.3	-67.6	-178.4	163.8	177	-4.9	115.7
157	T	35.4	Very low	39.2	Very low	138 Å²	138	164.1 Å²	164.1	85%	0.847	81%	0.805	S	S	*	*			trans	-124.9	-162.9	169.8	57.8	0	0	0	0	108.2
158	P	45.4	Very low	39.2	Very low	115 Å²	115	166.9 Å²	166.9	75%	0.747	81%	0.809	S	S	*	*				-118.1	-174.7	-114.6	37.4	-18.3	0	0	0	113.6
159	R	36.9	Very low	39.5	Very low	226 Å²	226	165.4 Å²	165.4	85%	0.853	82%	0.816	S	S	*	*			trans	-173	144.7	155.6	-110.4	170.9	-175.6	-171.4	1.2	113.7
160	I	41.6	Very low	39.5	Very low	145 Å²	145	165.5 Å²	165.5	74%	0.744	82%	0.817	S	S	*	*			trans	68.1	146.8	143.5	-67.3	165.4	0	0	0	117.7
161	S	36.4	Very low	39.7	Very low	90 Å²	90	166.3 Å²	166.3	63%	0.629	82%	0.82	S	S	*	*			cis	-172	163.9	-29.5	-87	0	0	0	0	108.9
162	R	36.8	Very low	39.4	Very low	238 Å²	238	165.4 Å²	165.4	90%	0.898	82%	0.817	S	S	*	*			trans	20.2	137.1	139.4	-67.1	-179	-179.8	-174.9	-1	118.5
163	S	38.6	Very low	39.3	Very low	93 Å²	93	159.1 Å²	159.1	65%	0.65	81%	0.809	S	S	*	*			cis	176.3	174.2	24.7	40.6	0	0	0	0	114.4
164	N	38.7	Very low	38.8	Very low	137 Å²	137	155.7 Å²	155.7	73%	0.733	81%	0.805	S	S	*	*			trans	89.9	144.2	138.2	-82.6	5.3	0	0	0	122.9
165	Y	44.2	Very low	38.5	Very low	213 Å²	213	157 Å²	157	84%	0.835	81%	0.806	S	S	*	*			trans	70.7	145.8	159.1	-86.6	-133.4	0	0	0	117.6
166	S	41.1	Very low	38.4	Very low	102 Å²	102	159.4 Å²	159.4	71%	0.713	81%	0.808	S	S	*	*			cis	-165.6	163.6	-15.9	-117.1	0	0	0	0	111.2
167	G	39.5	Very low	38.2	Very low	74 Å²	74	151.6 Å²	151.6	76%	0.763	79%	0.792	S	S	*	*			trans	156.9	106	167.8	0	0	0	0	0	116.1
168	P	37.5	Very low	38.4	Very low	137 Å²	137	155.3 Å²	155.3	89%	0.89	80%	0.797	S	S	*	*			trans	-104	145.6	177.7	36.7	-30.7	0	0	0	113.9
169	G	40.4	Very low	38	Very low	82 Å²	82	155.8 Å²	155.8	85%	0.845	79%	0.793	S	S	*	*			trans	-157.8	111.2	172.2	0	0	0	0	0	113
170	R	36.6	Very low	38.4	Very low	247 Å²	247	153.1 Å²	153.1	93%	0.932	80%	0.796	S	S	*	*			trans	-92.8	137.2	174.2	-69	-176.4	176.5	-160.4	0.4	110.8
171	R	41.1	Very low	38.2	Very low	245 Å²	245	152.9 Å²	152.9	93%	0.925	80%	0.796	S	S	*	*			trans	-166.9	115.8	133.8	-107.5	162.2	-163.1	-143.2	3.2	114.8
172	R	35.4	Very low	38.6	Very low	240 Å²	240	154.2 Å²	154.2	91%	0.906	81%	0.805	S	S	*	*			trans	59	89	137.4	-152.1	176.7	-149.5	171.9	5.9	120.3
173	S	35.3	Very low	39	Very low	107 Å²	107	150.2 Å²	150.2	75%	0.748	80%	0.802	S	S	*	*				19.5	121.7	128.4	-174.1	0	0	0	0	119.3
174	T	35.7	Very low	39.4	Very low	126 Å²	126	151.3 Å²	151.3	77%	0.773	80%	0.801	S	S	*	*			trans	-141.5	139.8	137.5	-68.8	0	0	0	0	107.3
175	Y	35.1	Very low	39.7	Very low	226 Å²	226	153.1 Å²	153.1	89%	0.886	80%	0.797	S	S	*	*			trans	-99.6	94.6	-174.1	170.9	-94.7	0	0	0	109.6
176	T	34.8	Very low	39.8	Very low	116 Å²	116	148.7 Å²	148.7	71%	0.712	78%	0.784	S	S	*	*			trans	-154.2	138.1	174.5	46.6	0	0	0	0	110.2
177	S	34.8	Very low	40	Very low	87 Å²	87	148.9 Å²	148.9	61%	0.608	78%	0.781	S	S	*	*			trans	49.7	107.8	168.3	-142.8	0	0	0	0	118	D179	S177-D179 VanDerWaalsContact CB-OD2 3.3Å; S177-D179 WeakPolarHBondContact CB-OD2 3.43Å; S177-D179 PolarHBondContact OG-OD2 2.91Å
178	F	40.4	Very low	40.8	Very low	215 Å²	215	151.1 Å²	151.1	94%	0.943	79%	0.785	S	S	*	*			trans	-103.1	103.8	144.9	-83	-73.9	0	0	0	107	D180	F178-D180 PolarHBondContact O-N 3.46Å; F178-D180 VanDerWaalsContact O-N 3.08Å
179	D	38.1	Very low	41.8	Very low	126 Å²	126	149.6 Å²	149.6	67%	0.674	77%	0.769	S	S	*	*			trans	-68.2	100.5	-176.1	-64.8	-124	0	0	0	111.3	S177 D181	S177-D179 VanDerWaalsContact CB-OD2 3.3Å; S177-D179 WeakPolarHBondContact CB-OD2 3.43Å; S177-D179 PolarHBondContact OG-OD2 2.91Å; D179-D181 PolarHBondContact O-N 2.92Å
180	D	43.7	Very low	42.9	Very low	169 Å²	169	149.8 Å²	149.8	90%	0.904	76%	0.755	S	S	*	*			trans	-80.1	52.3	179.4	-153.3	-32.6	0	0	0	111.7	F178	F178-D180 PolarHBondContact O-N 3.46Å; F178-D180 VanDerWaalsContact O-N 3.08Å
181	D	38.3	Very low	44.9	Very low	141 Å²	141	141.9 Å²	141.9	75%	0.754	73%	0.734	S	S	*	*			trans	-148.7	55.9	-163.5	-146.3	-20.2	0	0	0	113.9	D179	D179-D181 PolarHBondContact O-N 2.92Å
182	S	44.6	Very low	47.1	Very low	117 Å²	117	132.9 Å²	132.9	82%	0.818	70%	0.702	S	S	*	*	S	Bend	trans	-147	5.6	-179.5	61.4	0	0	0	0	117.8
183	N	44.3	Very low	49.7	Very low	155 Å²	155	125.2 Å²	125.2	83%	0.829	68%	0.678	S	S	*	*			trans	-113	-9.7	179.4	-110.3	-38.6	0	0	0	115.7	R185	N183-R185 PolarHBondContact O-N 3.11Å
184	D	47.6	Very low	52.3	Low	116 Å²	116	120.2 Å²	120.2	62%	0.62	64%	0.643	S	S	*	*			trans	-79	46.6	-171.9	-155.8	46.4	0	0	0	114	Q186	D184-Q186 PolarHBondContact O-N 3.36Å; D184-Q186 PolarHBondContact OD2-NE2 3.21Å
185	R	45.1	Very low	54.7	Low	175 Å²	175	120.8 Å²	120.8	66%	0.66	64%	0.637	S	S	*	*			trans	-78.7	75.1	178.6	-167.1	167.5	-178.7	130	-1.1	111.1	N183 T187	N183-R185 PolarHBondContact O-N 3.11Å; R185-T187 PolarHBondContact O-N 3.19Å
186	Q	46.1	Very low	57.2	Low	120 Å²	120	113 Å²	113	56%	0.561	61%	0.608	S	S	*	*			trans	-47.8	117.4	172.1	-62.8	164.2	22.8	0	0	110.6	D184	D184-Q186 PolarHBondContact O-N 3.36Å; D184-Q186 PolarHBondContact OD2-NE2 3.21Å
187	T	44.7	Very low	59.9	Low	105 Å²	105	110.3 Å²	110.3	64%	0.644	59%	0.593	S	S	*	*			trans	-157	131.7	177.5	-62.5	0	0	0	0	108.2	R185	R185-T187 PolarHBondContact O-N 3.19Å
188	S	56.8	Low	62.4	Low	121 Å²	121	108.5 Å²	108.5	85%	0.846	59%	0.588	S	S	*	*	S	Bend	trans	70	14.4	177.6	71.8	0	0	0	0	119.6
189	L	59.3	Low	64.8	Low	106 Å²	106	101.3 Å²	101.3	56%	0.555	56%	0.562	S	S	*	*			trans	-67.7	135.5	160.1	-76.4	177.1	0	0	0	109.7	V191	L189-V191 PolarHBondContact O-N 3.48Å
190	P	62.7	Low	67.4	Low	85 Å²	85	103.6 Å²	103.6	55%	0.552	56%	0.561	S	S	*	*			trans	-65.3	123.1	176.6	26.8	-33.2	0	0	0	109.9	F192	P190-F192 HydrophobicContact CG-CE2 4.21Å; P190-F192 HydrophobicContact CG-CZ 4.22Å; P190-F192 WeakPolarHBondContact O-CD2 3.24Å; P190-F192 WeakPolarHBondContact O-CE2 3.39Å
191	V	78.7	Confident	69.6	Low	81 Å²	81	98.3 Å²	98.3	49%	0.491	53%	0.529	S	S	.	.			trans	-90.3	112.5	177.7	179.9	0	0	0	0	108.3	L189 L193 R200	L189-V191 PolarHBondContact O-N 3.48Å; V191-L193 HydrophobicContact CG1-CD2 4.16Å; V191-R200 HydrophobicContact CG1-CB 3.77Å; V191-R200 HydrophobicContact CG1-CG 4.25Å
192	F	87.4	Confident	72	Confident	57 Å²	57	99.6 Å²	99.6	25%	0.25	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	135.5	178	-61.5	-86.3	0	0	0	109.2	P190 R200 Y201 R204 L207	P190-F192 HydrophobicContact CG-CE2 4.21Å; P190-F192 HydrophobicContact CG-CZ 4.22Å; P190-F192 WeakPolarHBondContact O-CD2 3.24Å; P190-F192 WeakPolarHBondContact O-CE2 3.39Å; F192-R200 WeakPolarHBondContact O-CA 3.21Å; F192-Y201 PolarHBondContact N-O 2.79Å; F192-Y201 PolarHBondContact O-N 3.23Å; F192-R204 HydrophobicContact CD1-CB 4.11Å; F192-R204 HydrophobicContact CE1-CB 3.84Å; F192-R204 HydrophobicContact CE1-CG 4.45Å; F192-R204 HydrophobicContact CE2-CB 4.44Å; F192-R204 HydrophobicContact CZ-CB 4.01Å; F192-L207 HydrophobicContact CB-CB 4.08Å; F192-L207 HydrophobicContact CB-CD2 3.89Å
193	L	90.2	Very high	74.1	Confident	79 Å²	79	96.8 Å²	96.8	41%	0.414	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	138.5	-177.2	-56.1	-179.3	0	0	0	109.8	V191 E195 R200 L207	V191-L193 HydrophobicContact CG1-CD2 4.16Å; L193-E195 PolarHBondContact O-N 3.06Å; L193-R200 HydrophobicContact CD2-CB 4.34Å; L193-R200 HydrophobicContact CD2-CG 3.65Å; L193-L207 WeakPolarHBondContact O-CD2 3.28Å
194	C	90.9	Very high	76.1	Confident	2 Å²	2	93.4 Å²	93.4	1%	0.014	48%	0.479	C	S	.	.			trans	-77.7	118.1	164.8	-173.5	0	0	0	0	110	F196 C197 G198 V199 L207 H210 H215	C194-F196 PolarHBondContact O-N 2.78Å; C194-C197 VanDerWaalsContact CB-SG 3.57Å; C194-C197 PolarHBondContact O-N 2.7Å; C194-G198 VanDerWaalsContact O-CA 3.3Å; C194-G198 WeakPolarHBondContact O-CA 3.47Å; C194-G198 PolarHBondContact O-N 3.18Å; C194-V199 PolarHBondContact N-O 2.76Å; C194-L207 HydrophobicContact CB-CD1 3.77Å; C194-H210 WeakPolarHBondContact CB-NE2 3.49Å; C194-H210 VanDerWaalsContact SG-CD2 3.59Å; C194-H210 PolarHBondContact SG-NE2 3.3Å; C194-H215 PolarHBondContact SG-CD2 2.93Å
195	E	85.9	Confident	78.2	Confident	137 Å²	137	89.2 Å²	89.2	64%	0.64	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-27.5	178.6	-65	168.3	-148	0	0	112.3	L193 R386	L193-E195 PolarHBondContact O-N 3.06Å; E195-R386 IonicContact OE1-CZ 3.86Å; E195-R386 IonicContact OE1-NH1 2.73Å; E195-R386 PolarHBondContact OE1-NH1 3Å; E195-R386 IonicContact OE1-NH2 3.66Å; E195-R386 PolarHBondContact OE1-NH2 2.86Å; E195-R386 IonicContact OE2-CZ 2.73Å; E195-R386 IonicContact OE2-NH1 2.71Å; E195-R386 PolarHBondContact OE2-NH1 3.47Å; E195-R386 IonicContact OE2-NH2 3.34Å
196	F	86.6	Confident	80.4	Confident	63 Å²	63	81.9 Å²	81.9	28%	0.276	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-26	-175.1	-53	-65.9	0	0	0	114.9	C194 I211 H215 T218	C194-F196 PolarHBondContact O-N 2.78Å; F196-I211 HydrophobicContact CE2-CG2 4.23Å; F196-H215 HydrophobicContact CD2-CB 3.76Å; F196-H215 AromaticContact CD2-CD2 3.78Å; F196-H215 AromaticContact CD2-CG 3.69Å; F196-H215 HydrophobicContact CE2-CB 4.14Å; F196-H215 HydrophobicContact CG-CB 4.42Å; F196-T218 HydrophobicContact CD1-CG2 3.94Å; F196-T218 HydrophobicContact CD2-CG2 4.27Å; F196-T218 HydrophobicContact CE1-CG2 3.83Å; F196-T218 HydrophobicContact CE2-CG2 4.17Å; F196-T218 WeakPolarHBondContact CE2-OG1 3.35Å; F196-T218 HydrophobicContact CG-CG2 4.16Å; F196-T218 HydrophobicContact CZ-CG2 3.94Å; F196-T218 VanDerWaalsContact CZ-OG1 3.28Å; F196-T218 WeakPolarHBondContact CZ-OG1 3.44Å
197	C	91.8	Very high	82.5	Confident	59 Å²	59	76.6 Å²	76.6	40%	0.399	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139	-0.6	-174.4	69.9	0	0	0	0	115	C194 V199 H210	C194-C197 VanDerWaalsContact CB-SG 3.57Å; C194-C197 PolarHBondContact O-N 2.7Å; C197-V199 HydrophobicContact CB-CG2 4.48Å; C197-V199 PolarHBondContact O-N 2.97Å; C197-V199 VanDerWaalsContact SG-CG2 3.53Å; C197-H210 VanDerWaalsContact SG-CE1 3.6Å; C197-H210 PolarHBondContact SG-NE2 3.3Å
198	G	88.1	Confident	84.8	Confident	49 Å²	49	71.9 Å²	71.9	51%	0.505	39%	0.385	S	S	.	.			trans	72.8	-1	177.7	0	0	0	0	0	116.2	C194	C194-G198 VanDerWaalsContact O-CA 3.3Å; C194-G198 WeakPolarHBondContact O-CA 3.47Å; C194-G198 PolarHBondContact O-N 3.18Å
199	V	90.2	Very high	86.5	Confident	64 Å²	64	71.9 Å²	71.9	39%	0.388	37%	0.368	S	S	.	.			trans	-64.7	143.3	-178.9	-179.1	0	0	0	0	111	C194 C197 Y201	C194-V199 PolarHBondContact N-O 2.76Å; C197-V199 HydrophobicContact CB-CG2 4.48Å; C197-V199 PolarHBondContact O-N 2.97Å; C197-V199 VanDerWaalsContact SG-CG2 3.53Å; V199-Y201 HydrophobicContact CB-CE2 3.96Å; V199-Y201 HydrophobicContact CG1-CD2 4.43Å; V199-Y201 HydrophobicContact CG1-CE2 3.55Å; V199-Y201 WeakPolarHBondContact CG1-OH 3.49Å
200	R	91.9	Very high	88.1	Confident	175 Å²	175	67.6 Å²	67.6	66%	0.66	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.6	-168.3	-57.1	-163.3	167.5	-120.3	-3.3	111.8	V191 F192 L193	V191-R200 HydrophobicContact CG1-CB 3.77Å; V191-R200 HydrophobicContact CG1-CG 4.25Å; F192-R200 WeakPolarHBondContact O-CA 3.21Å; L193-R200 HydrophobicContact CD2-CB 4.34Å; L193-R200 HydrophobicContact CD2-CG 3.65Å
201	Y	91	Very high	89.5	Confident	57 Å²	57	64.3 Å²	64.3	22%	0.224	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	141.8	-176.2	-70.4	-82.9	0	0	0	112.5	F192 V199 S203 L207 H210	F192-Y201 PolarHBondContact N-O 2.79Å; F192-Y201 PolarHBondContact O-N 3.23Å; V199-Y201 HydrophobicContact CB-CE2 3.96Å; V199-Y201 HydrophobicContact CG1-CD2 4.43Å; V199-Y201 HydrophobicContact CG1-CE2 3.55Å; V199-Y201 WeakPolarHBondContact CG1-OH 3.49Å; Y201-S203 VanDerWaalsContact C-N 3.34Å; Y201-L207 HydrophobicContact CD2-CB 4.2Å; Y201-L207 HydrophobicContact CD2-CD1 3.94Å; Y201-L207 HydrophobicContact CE2-CD1 4.41Å; Y201-L207 HydrophobicContact CG-CB 4.23Å; Y201-H210 HydrophobicContact CE1-CB 4.02Å; Y201-H210 HydrophobicContact CE2-CB 3.8Å; Y201-H210 AromaticContact CE2-CD2 3.59Å; Y201-H210 AromaticContact CE2-CG 3.61Å; Y201-H210 VanDerWaalsContact CZ-CB 3.45Å; Y201-H210 AromaticContact CZ-CD2 3.99Å; Y201-H210 AromaticContact CZ-CG 3.5Å; Y201-H210 WeakPolarHBondContact OH-CB 3.49Å; Y201-H210 PolarHBondContact OH-ND1 2.82Å; Y201-H210 VanDerWaalsContact OH-ND1 3.15Å
202	R	87.8	Confident	90	Very high	169 Å²	169	61.3 Å²	61.3	64%	0.638	30%	0.304	S	S	*	.	S	Bend	trans	-79.7	-12.6	179.7	-171.7	172.4	176.3	167.5	0.2	113.3
203	S	88.5	Confident	90.1	Very high	58 Å²	58	61 Å²	61	41%	0.406	31%	0.309	S	S	.	.	S	Bend	trans	-146.1	155.9	178.4	68.5	0	0	0	0	111.4	Y201 A205 G206 L207	Y201-S203 VanDerWaalsContact C-N 3.34Å; S203-A205 VanDerWaalsContact C-N 3.32Å; S203-A205 PolarHBondContact O-N 2.77Å; S203-G206 PolarHBondContact O-N 3.13Å; S203-G206 PolarHBondContact OG-N 3.12Å; S203-L207 PolarHBondContact O-N 3.45Å
204	R	87.2	Confident	90.1	Very high	84 Å²	84	63.3 Å²	63.3	32%	0.317	32%	0.318	S	S	.	.	H	α-helix	trans	-64.2	-36.5	175.4	-176.1	55.2	175.5	-114.3	10	112	F192 G206 L207 N208 D362	F192-R204 HydrophobicContact CD1-CB 4.11Å; F192-R204 HydrophobicContact CE1-CB 3.84Å; F192-R204 HydrophobicContact CE1-CG 4.45Å; F192-R204 HydrophobicContact CE2-CB 4.44Å; F192-R204 HydrophobicContact CZ-CB 4.01Å; R204-G206 PolarHBondContact O-N 2.72Å; R204-L207 WeakPolarHBondContact O-CB 3.37Å; R204-L207 PolarHBondContact O-N 3.13Å; R204-N208 WeakPolarHBondContact CD-OD1 3.27Å; R204-N208 PolarHBondContact NE-OD1 3.3Å; R204-N208 PolarHBondContact O-N 2.95Å; R204-N208 PolarHBondContact O-OD1 3.37Å; R204-D362 IonicContact CZ-OD1 3.87Å; R204-D362 IonicContact CZ-OD2 3.21Å; R204-D362 IonicContact NE-OD2 3.64Å; R204-D362 IonicContact NH2-OD1 3.41Å; R204-D362 PolarHBondContact NH2-OD1 3.23Å; R204-D362 IonicContact NH2-OD2 2.69Å; R204-D362 PolarHBondContact NH2-OD2 3.47Å
205	A	91	Very high	90	Very high	28 Å²	28	65 Å²	65	23%	0.231	33%	0.325	C	S	.	.	H	α-helix	trans	-61.8	-42	176.9	0	0	0	0	0	112.6	S203 L207 N208 Y209 G399 T400	S203-A205 VanDerWaalsContact C-N 3.32Å; S203-A205 PolarHBondContact O-N 2.77Å; A205-L207 VanDerWaalsContact C-N 3.32Å; A205-L207 PolarHBondContact O-N 2.92Å; A205-N208 PolarHBondContact O-N 2.85Å; A205-Y209 WeakPolarHBondContact O-CB 3.31Å; A205-Y209 PolarHBondContact O-N 3.11Å; A205-G399 VanDerWaalsContact CA-O 3.28Å; A205-G399 WeakPolarHBondContact CA-O 3.38Å; A205-G399 WeakPolarHBondContact CB-O 3.49Å; A205-T400 HydrophobicContact CB-CG2 3.7Å
206	G	91.7	Very high	89.5	Confident	21 Å²	21	60.8 Å²	60.8	22%	0.216	31%	0.311	C	S	.	.	H	α-helix	trans	-63.1	-37	174.6	0	0	0	0	0	112.9	S203 R204 H210	S203-G206 PolarHBondContact O-N 3.13Å; S203-G206 PolarHBondContact OG-N 3.12Å; R204-G206 PolarHBondContact O-N 2.72Å; G206-H210 WeakPolarHBondContact O-CB 3.28Å; G206-H210 PolarHBondContact O-N 2.99Å; G206-H210 VanDerWaalsContact O-N 3.12Å
207	L	90.9	Very high	88.8	Confident	9 Å²	9	64.9 Å²	64.9	5%	0.047	33%	0.331	C	S	.	.	H	α-helix	trans	-65.7	-48.1	172.1	174.7	62	0	0	0	111.7	F192 L193 C194 Y201 S203 R204 A205 H210 I211	F192-L207 HydrophobicContact CB-CB 4.08Å; F192-L207 HydrophobicContact CB-CD2 3.89Å; L193-L207 WeakPolarHBondContact O-CD2 3.28Å; C194-L207 HydrophobicContact CB-CD1 3.77Å; Y201-L207 HydrophobicContact CD2-CB 4.2Å; Y201-L207 HydrophobicContact CD2-CD1 3.94Å; Y201-L207 HydrophobicContact CE2-CD1 4.41Å; Y201-L207 HydrophobicContact CG-CB 4.23Å; S203-L207 PolarHBondContact O-N 3.45Å; R204-L207 WeakPolarHBondContact O-CB 3.37Å; R204-L207 PolarHBondContact O-N 3.13Å; A205-L207 VanDerWaalsContact C-N 3.32Å; A205-L207 PolarHBondContact O-N 2.92Å; L207-H210 WeakPolarHBondContact O-CB 3.35Å; L207-H210 PolarHBondContact O-N 3.38Å; L207-I211 HydrophobicContact CD1-CD1 3.8Å; L207-I211 HydrophobicContact CD1-CG1 4.03Å; L207-I211 HydrophobicContact CD2-CD1 4.4Å; L207-I211 HydrophobicContact CG-CD1 3.85Å; L207-I211 HydrophobicContact CG-CG1 4.43Å; L207-I211 WeakPolarHBondContact O-CG1 3.29Å; L207-I211 PolarHBondContact O-N 3.19Å
208	N	91.3	Very high	87.5	Confident	5 Å²	5	63.5 Å²	63.5	3%	0.027	32%	0.32	C	S	.	.	H	α-helix	trans	-62.9	-44.7	-178.6	-73.2	16.4	0	0	0	111.1	R204 A205 H210 I211 N212 Q388 T394	R204-N208 WeakPolarHBondContact CD-OD1 3.27Å; R204-N208 PolarHBondContact NE-OD1 3.3Å; R204-N208 PolarHBondContact O-N 2.95Å; R204-N208 PolarHBondContact O-OD1 3.37Å; A205-N208 PolarHBondContact O-N 2.85Å; N208-H210 VanDerWaalsContact C-N 3.32Å; N208-H210 PolarHBondContact O-N 2.72Å; N208-I211 PolarHBondContact O-N 2.94Å; N208-N212 WeakPolarHBondContact O-CB 3.4Å; N208-N212 PolarHBondContact O-N 2.87Å; N208-N212 PolarHBondContact O-ND2 3.28Å; N208-N212 PolarHBondContact O-OD1 3.49Å; N208-Q388 PolarHBondContact ND2-NE2 2.91Å; N208-T394 WeakPolarHBondContact ND2-CG2 3.37Å; N208-T394 PolarHBondContact ND2-OG1 3.43Å
209	Y	93.4	Very high	86.1	Confident	122 Å²	122	65.5 Å²	65.5	48%	0.478	32%	0.324	S	S	.	.	H	α-helix	trans	-57.3	-42.9	173	173.6	-99.9	0	0	0	112.5	A205 N212 S213 L397	A205-Y209 WeakPolarHBondContact O-CB 3.31Å; A205-Y209 PolarHBondContact O-N 3.11Å; Y209-N212 PolarHBondContact O-N 2.69Å; Y209-S213 WeakPolarHBondContact O-CB 3.47Å; Y209-S213 PolarHBondContact O-N 3.5Å; Y209-S213 VanDerWaalsContact O-N 3.07Å; Y209-S213 PolarHBondContact O-OG 2.87Å; Y209-L397 VanDerWaalsContact CD2-O 3.32Å; Y209-L397 WeakPolarHBondContact CD2-O 3.39Å; Y209-L397 VanDerWaalsContact CE2-O 3.25Å; Y209-L397 WeakPolarHBondContact CE2-O 3.17Å
210	H	93.3	Very high	84.3	Confident	16 Å²	16	65.3 Å²	65.3	7%	0.074	32%	0.317	C	S	.	.	H	α-helix	trans	-64.6	-45.3	176	163.6	70.5	0	0	0	112.5	C194 C197 Y201 G206 L207 N208 N212 S213 Q214 H215	C194-H210 WeakPolarHBondContact CB-NE2 3.49Å; C194-H210 VanDerWaalsContact SG-CD2 3.59Å; C194-H210 PolarHBondContact SG-NE2 3.3Å; C197-H210 VanDerWaalsContact SG-CE1 3.6Å; C197-H210 PolarHBondContact SG-NE2 3.3Å; Y201-H210 HydrophobicContact CE1-CB 4.02Å; Y201-H210 HydrophobicContact CE2-CB 3.8Å; Y201-H210 AromaticContact CE2-CD2 3.59Å; Y201-H210 AromaticContact CE2-CG 3.61Å; Y201-H210 VanDerWaalsContact CZ-CB 3.45Å; Y201-H210 AromaticContact CZ-CD2 3.99Å; Y201-H210 AromaticContact CZ-CG 3.5Å; Y201-H210 WeakPolarHBondContact OH-CB 3.49Å; Y201-H210 PolarHBondContact OH-ND1 2.82Å; Y201-H210 VanDerWaalsContact OH-ND1 3.15Å; G206-H210 WeakPolarHBondContact O-CB 3.28Å; G206-H210 PolarHBondContact O-N 2.99Å; G206-H210 VanDerWaalsContact O-N 3.12Å; L207-H210 WeakPolarHBondContact O-CB 3.35Å; L207-H210 PolarHBondContact O-N 3.38Å; N208-H210 VanDerWaalsContact C-N 3.32Å; N208-H210 PolarHBondContact O-N 2.72Å; H210-N212 PolarHBondContact O-N 3.21Å; H210-S213 PolarHBondContact O-N 3.28Å; H210-S213 PolarHBondContact O-OG 3.47Å; H210-Q214 WeakPolarHBondContact ND1-CG 3.37Å; H210-Q214 WeakPolarHBondContact O-CB 3.33Å; H210-Q214 WeakPolarHBondContact O-CG 2.95Å; H210-Q214 PolarHBondContact O-N 3.24Å; H210-H215 AromaticContact CE1-NE2 3.73Å; H210-H215 AromaticContact NE2-CD2 3.58Å; H210-H215 AromaticContact NE2-NE2 3.42Å; H210-H215 PolarHBondContact NE2-NE2 2.88Å
211	I	90.8	Very high	82.1	Confident	15 Å²	15	65.5 Å²	65.5	8%	0.077	33%	0.327	C	S	.	.	H	α-helix	trans	-60.9	-46.6	176.1	-69.4	171.1	0	0	0	110.3	F196 L207 N208 S213 H215 S216	F196-I211 HydrophobicContact CE2-CG2 4.23Å; L207-I211 HydrophobicContact CD1-CD1 3.8Å; L207-I211 HydrophobicContact CD1-CG1 4.03Å; L207-I211 HydrophobicContact CD2-CD1 4.4Å; L207-I211 HydrophobicContact CG-CD1 3.85Å; L207-I211 HydrophobicContact CG-CG1 4.43Å; L207-I211 WeakPolarHBondContact O-CG1 3.29Å; L207-I211 PolarHBondContact O-N 3.19Å; N208-I211 PolarHBondContact O-N 2.94Å; I211-S213 VanDerWaalsContact C-N 3.26Å; I211-S213 PolarHBondContact O-N 3.28Å; I211-H215 HydrophobicContact CG2-CB 4.35Å; I211-H215 CarbonylContact O-C 3.27Å; I211-H215 WeakPolarHBondContact O-CA 3.35Å; I211-H215 WeakPolarHBondContact O-CB 3.44Å; I211-H215 PolarHBondContact O-N 3Å; I211-S216 PolarHBondContact O-N 3.15Å
212	N	90.3	Very high	79.6	Confident	18 Å²	18	66.1 Å²	66.1	10%	0.096	34%	0.34	C	S	.	.	H	α-helix	trans	-65.7	-26.9	-178.3	-63.4	-9.5	0	0	0	113.4	N208 Y209 H210 S216 W396	N208-N212 WeakPolarHBondContact O-CB 3.4Å; N208-N212 PolarHBondContact O-N 2.87Å; N208-N212 PolarHBondContact O-ND2 3.28Å; N208-N212 PolarHBondContact O-OD1 3.49Å; Y209-N212 PolarHBondContact O-N 2.69Å; H210-N212 PolarHBondContact O-N 3.21Å; N212-S216 WeakPolarHBondContact O-CB 3.18Å; N212-W396 HydrophobicContact CB-CD2 3.89Å; N212-W396 HydrophobicContact CB-CE3 4.08Å; N212-W396 HydrophobicContact CB-CG 4.41Å; N212-W396 HydrophobicContact CB-CH2 4.24Å; N212-W396 HydrophobicContact CB-CZ2 4.06Å; N212-W396 HydrophobicContact CB-CZ3 4.25Å; N212-W396 WeakPolarHBondContact CB-O 3.31Å; N212-W396 WeakPolarHBondContact ND2-CA 3.29Å; N212-W396 PolarHBondContact ND2-O 2.88Å; N212-W396 WeakPolarHBondContact O-CZ2 3.43Å; N212-W396 WeakPolarHBondContact OD1-CZ3 3.42Å
213	S	89.7	Confident	77	Confident	52 Å²	52	62.7 Å²	62.7	36%	0.364	34%	0.341	S	S	.	.	H	α-helix	trans	-98.6	-30	-177.6	59.8	0	0	0	0	114.9	Y209 H210 I211	Y209-S213 WeakPolarHBondContact O-CB 3.47Å; Y209-S213 PolarHBondContact O-N 3.5Å; Y209-S213 VanDerWaalsContact O-N 3.07Å; Y209-S213 PolarHBondContact O-OG 2.87Å; H210-S213 PolarHBondContact O-N 3.28Å; H210-S213 PolarHBondContact O-OG 3.47Å; I211-S213 VanDerWaalsContact C-N 3.26Å; I211-S213 PolarHBondContact O-N 3.28Å
214	Q	90.8	Very high	74.3	Confident	127 Å²	127	63.1 Å²	63.1	59%	0.593	35%	0.348	S	S	*	.	H	α-helix	trans	-108	-17.9	-178.2	-52.6	-54.3	-68.5	0	0	113.5	H210	H210-Q214 WeakPolarHBondContact ND1-CG 3.37Å; H210-Q214 WeakPolarHBondContact O-CB 3.33Å; H210-Q214 WeakPolarHBondContact O-CG 2.95Å; H210-Q214 PolarHBondContact O-N 3.24Å
215	H	87.3	Confident	71.6	Confident	37 Å²	37	69.9 Å²	69.9	17%	0.171	37%	0.373	C	S	.	.	S	Bend	trans	-136	28.8	-171	-58.7	-52.2	0	0	0	111.6	C194 F196 H210 I211 E217 T218	C194-H215 PolarHBondContact SG-CD2 2.93Å; F196-H215 HydrophobicContact CD2-CB 3.76Å; F196-H215 AromaticContact CD2-CD2 3.78Å; F196-H215 AromaticContact CD2-CG 3.69Å; F196-H215 HydrophobicContact CE2-CB 4.14Å; F196-H215 HydrophobicContact CG-CB 4.42Å; H210-H215 AromaticContact CE1-NE2 3.73Å; H210-H215 AromaticContact NE2-CD2 3.58Å; H210-H215 AromaticContact NE2-NE2 3.42Å; H210-H215 PolarHBondContact NE2-NE2 2.88Å; I211-H215 HydrophobicContact CG2-CB 4.35Å; I211-H215 CarbonylContact O-C 3.27Å; I211-H215 WeakPolarHBondContact O-CA 3.35Å; I211-H215 WeakPolarHBondContact O-CB 3.44Å; I211-H215 PolarHBondContact O-N 3Å; H215-E217 VanDerWaalsContact C-N 3.28Å; H215-E217 PolarHBondContact O-N 2.83Å; H215-E217 VanDerWaalsContact O-N 3.15Å; H215-T218 HydrophobicContact CB-CG2 3.73Å; H215-T218 WeakPolarHBondContact O-CB 3.25Å; H215-T218 PolarHBondContact O-N 3.28Å; H215-T218 VanDerWaalsContact O-N 3.07Å; H215-T218 PolarHBondContact O-OG1 2.75Å
216	S	77.1	Confident	68.7	Low	48 Å²	48	74 Å²	74	34%	0.336	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-35.9	-171.6	49.7	0	0	0	0	116	I211 N212	I211-S216 PolarHBondContact O-N 3.15Å; N212-S216 WeakPolarHBondContact O-CB 3.18Å
217	E	70.8	Confident	65.7	Low	150 Å²	150	77.6 Å²	77.6	70%	0.701	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	18	-176.5	-58.2	-168.2	147.5	0	0	112.7	H215 P219 T384	H215-E217 VanDerWaalsContact C-N 3.28Å; H215-E217 PolarHBondContact O-N 2.83Å; H215-E217 VanDerWaalsContact O-N 3.15Å; E217-P219 WeakPolarHBondContact O-CD 3.27Å; E217-P219 VanDerWaalsContact O-N 3.1Å; E217-T384 CarbonylContact C-O 3.3Å; E217-T384 WeakPolarHBondContact CA-O 3.39Å
218	T	64.1	Low	62.9	Low	29 Å²	29	86.2 Å²	86.2	18%	0.178	46%	0.463	C	S	.	.			trans	-60.6	115	175.1	44.3	0	0	0	0	109.9	F196 H215 Y385	F196-T218 HydrophobicContact CD1-CG2 3.94Å; F196-T218 HydrophobicContact CD2-CG2 4.27Å; F196-T218 HydrophobicContact CE1-CG2 3.83Å; F196-T218 HydrophobicContact CE2-CG2 4.17Å; F196-T218 WeakPolarHBondContact CE2-OG1 3.35Å; F196-T218 HydrophobicContact CG-CG2 4.16Å; F196-T218 HydrophobicContact CZ-CG2 3.94Å; F196-T218 VanDerWaalsContact CZ-OG1 3.28Å; F196-T218 WeakPolarHBondContact CZ-OG1 3.44Å; H215-T218 HydrophobicContact CB-CG2 3.73Å; H215-T218 WeakPolarHBondContact O-CB 3.25Å; H215-T218 PolarHBondContact O-N 3.28Å; H215-T218 VanDerWaalsContact O-N 3.07Å; H215-T218 PolarHBondContact O-OG1 2.75Å; T218-Y385 WeakPolarHBondContact O-CA 3.35Å
219	P	59.3	Low	60.1	Low	91 Å²	91	94.1 Å²	94.1	59%	0.591	50%	0.502	S	S	*	.			trans	-62.4	156.6	175.4	-18.8	32.9	0	0	0	109.2	E217 M221	E217-P219 WeakPolarHBondContact O-CD 3.27Å; E217-P219 VanDerWaalsContact O-N 3.1Å; P219-M221 PolarHBondContact O-N 3.33Å
220	R	53.2	Low	57.1	Low	61 Å²	61	93.5 Å²	93.5	23%	0.23	52%	0.515	C	S	.	.			trans	-52	118.9	169	-75.6	176.9	161.8	168.2	-2.4	109.5	S222 R359	R220-S222 PolarHBondContact O-N 3.07Å; R220-R359 PolarHBondContact NH2-O 3.25Å
221	M	44.2	Very low	54.3	Low	178 Å²	178	97.9 Å²	97.9	88%	0.877	55%	0.545	S	S	*	.			trans	-68	81.4	153.8	-60.7	-135	81.6	0	0	106.4	P219	P219-M221 PolarHBondContact O-N 3.33Å
222	S	38	Very low	51.6	Low	70 Å²	70	107.8 Å²	107.8	49%	0.49	58%	0.583	S	S	.	*			trans	-63.7	153.4	-176.1	49.3	0	0	0	0	110.6	R220 A224	R220-S222 PolarHBondContact O-N 3.07Å; S222-A224 PolarHBondContact O-N 3.15Å; S222-A224 VanDerWaalsContact O-N 3.09Å; S222-A224 WeakPolarHBondContact OG-CB 3.47Å
223	C	35.2	Very low	49	Very low	97 Å²	97	118.7 Å²	118.7	66%	0.655	62%	0.623	S	S	*	*	S	Bend	trans	-65	-0.2	163.4	55.1	0	0	0	0	113.6	R225 R359	C223-R225 PolarHBondContact O-N 2.76Å; C223-R359 PolarHBondContact SG-NH2 3.21Å
224	A	31.5	Very low	46.4	Very low	67 Å²	67	119.2 Å²	119.2	55%	0.554	64%	0.637	S	S	*	*	S	Bend	trans	-59	120.4	160.7	0	0	0	0	0	108.3	S222	S222-A224 PolarHBondContact O-N 3.15Å; S222-A224 VanDerWaalsContact O-N 3.09Å; S222-A224 WeakPolarHBondContact OG-CB 3.47Å
225	R	30.3	Very low	43.8	Very low	226 Å²	226	118.8 Å²	118.8	85%	0.853	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-46.6	145.6	177.5	-69.4	169	157.9	-160.7	-6.6	110.7	C223 A227	C223-R225 PolarHBondContact O-N 2.76Å; R225-A227 PolarHBondContact O-N 2.76Å; R225-A227 VanDerWaalsContact O-N 3.12Å
226	P	29.2	Very low	41.5	Very low	115 Å²	115	125 Å²	125	75%	0.747	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-49.7	125.1	162.7	-23	33.1	0	0	0	108.9	F228	P226-F228 PolarHBondContact O-N 2.98Å
227	A	29.4	Very low	39.6	Very low	96 Å²	96	126.2 Å²	126.2	79%	0.793	70%	0.698	S	S	*	*			trans	-69.8	83.4	178.6	0	0	0	0	0	108.8	R225 M229	R225-A227 PolarHBondContact O-N 2.76Å; R225-A227 VanDerWaalsContact O-N 3.12Å; A227-M229 PolarHBondContact O-N 3.26Å
228	F	31.5	Very low	38.2	Very low	190 Å²	190	127.4 Å²	127.4	83%	0.833	70%	0.703	S	S	*	*			trans	-67.7	99.9	-176.4	-149.2	-76.9	0	0	0	108.5	P226 S230	P226-F228 PolarHBondContact O-N 2.98Å; F228-S230 PolarHBondContact O-N 2.9Å; F228-S230 VanDerWaalsContact O-N 3.13Å
229	M	33.9	Very low	37.2	Very low	171 Å²	171	133.5 Å²	133.5	84%	0.842	73%	0.729	S	S	*	*			trans	-61.2	118.8	-179.3	-59.6	-165.3	82	0	0	108.9	A227 P231	A227-M229 PolarHBondContact O-N 3.26Å; M229-P231 WeakPolarHBondContact O-CD 3.49Å
230	S	29.9	Very low	36.3	Very low	109 Å²	109	137.2 Å²	137.2	76%	0.762	74%	0.738	S	S	*	*			trans	-110.9	98	177.2	-169.4	0	0	0	0	109.1	F228 Y232	F228-S230 PolarHBondContact O-N 2.9Å; F228-S230 VanDerWaalsContact O-N 3.13Å; S230-Y232 PolarHBondContact O-N 3.48Å
231	P	33.7	Very low	35.5	Very low	109 Å²	109	140.5 Å²	140.5	71%	0.708	76%	0.76	S	S	*	*			trans	-96.5	72.6	-168.1	37.2	-35.5	0	0	0	112.4	M229	M229-P231 WeakPolarHBondContact O-CD 3.49Å
232	Y	34.8	Very low	35.4	Very low	223 Å²	223	137.2 Å²	137.2	88%	0.875	75%	0.752	S	S	*	*			trans	-129.8	155.2	170.2	-85.7	-77.8	0	0	0	113.7	S230	S230-Y232 PolarHBondContact O-N 3.48Å
233	R	35.1	Very low	35.8	Very low	246 Å²	246	141.2 Å²	141.2	93%	0.928	76%	0.763	S	S	*	*			trans	-102.6	160.6	-155.6	-58.3	176.1	175.1	-167.3	-1.5	114.1
234	G	35.4	Very low	36.1	Very low	64 Å²	64	141.1 Å²	141.1	66%	0.66	76%	0.761	S	S	*	*			trans	156	71.5	164.1	0	0	0	0	0	111.7
235	T	37	Very low	36.6	Very low	117 Å²	117	145 Å²	145	72%	0.718	77%	0.768	S	S	*	*				56.6	102.7	92.6	64.8	0	0	0	0	114.6
236	D	37.8	Very low	37	Very low	168 Å²	168	139 Å²	139	90%	0.898	76%	0.76	S	S	*	*				167.9	143.9	118.4	-79.1	-15	0	0	0	111.3
237	G	37.8	Very low	37.6	Very low	74 Å²	74	140.5 Å²	140.5	76%	0.763	76%	0.757	S	S	*	*			trans	143.7	112.8	175.7	0	0	0	0	0	116
238	H	41.9	Very low	38.1	Very low	174 Å²	174	143.7 Å²	143.7	81%	0.806	76%	0.756	S	S	*	*			trans	-62	155.5	177.6	-48.1	-83.7	0	0	0	112.9
239	H	41.4	Very low	38.4	Very low	157 Å²	157	144 Å²	144	73%	0.727	76%	0.759	S	S	*	*			cis	-163.8	159.4	47.3	-99.3	-77.6	0	0	0	115.1
240	H	40.9	Very low	38.6	Very low	170 Å²	170	143 Å²	143	79%	0.787	75%	0.753	S	S	*	*			trans	56.3	105.4	152.5	-74.7	-65.4	0	0	0	124.6
241	N	36.7	Very low	39.2	Very low	129 Å²	129	144.1 Å²	144.1	69%	0.69	75%	0.746	S	S	*	*			trans	-68.1	179	146.9	-143.4	18.5	0	0	0	110.5
242	P	42.9	Very low	39.5	Very low	109 Å²	109	146.7 Å²	146.7	71%	0.708	75%	0.749	S	S	*	*			cis	-154	141	27.5	40.6	-16	0	0	0	122.7
243	H	45.7	Very low	39.6	Very low	154 Å²	154	139.9 Å²	139.9	71%	0.713	73%	0.733	S	S	*	*			trans	59.1	-179.9	135.4	-107.5	-14.1	0	0	0	121.7
244	P	42.5	Very low	39.8	Very low	95 Å²	95	136.7 Å²	136.7	62%	0.617	73%	0.729	S	S	*	*			cis	-137.1	164.2	-14.9	31.7	-10.7	0	0	0	118.7
245	H	41.1	Very low	40.1	Very low	150 Å²	150	138.3 Å²	138.3	69%	0.694	73%	0.73	S	S	*	*			trans	57.5	153.2	153.7	-66.5	-54.2	0	0	0	120.6
246	S	39.6	Very low	40.4	Very low	98 Å²	98	140.6 Å²	140.6	69%	0.685	73%	0.732	S	S	*	*			cis	-145	144.3	26.5	-47.2	0	0	0	0	111.8
247	Q	40.3	Very low	40.5	Very low	147 Å²	147	137.6 Å²	137.6	69%	0.687	72%	0.72	S	S	*	*				57	136.3	102.3	-56.8	-169.4	39.2	0	0	115.7
248	Q	40.1	Very low	40.6	Very low	164 Å²	164	140.1 Å²	140.1	77%	0.766	72%	0.716	S	S	*	*			cis	-154.7	162	14	-117	159.7	51.7	0	0	110
249	Q	38.7	Very low	40.5	Very low	195 Å²	195	138.8 Å²	138.8	91%	0.911	71%	0.71	S	S	*	*			trans	-152	144.5	162.2	-166	167.4	70.3	0	0	111.7
250	E	38.1	Very low	40.3	Very low	150 Å²	150	138 Å²	138	70%	0.701	71%	0.711	S	S	*	*			trans	-106.7	162.6	-176.8	-72.5	178.3	91	0	0	110.1
251	Q	41.3	Very low	40.2	Very low	134 Å²	134	136.4 Å²	136.4	63%	0.626	71%	0.707	S	S	*	*			cis	-165	156.6	4.4	-126.4	179.6	63.1	0	0	109.1
252	Q	40.5	Very low	40.2	Very low	163 Å²	163	137.5 Å²	137.5	76%	0.762	71%	0.713	S	S	*	*			trans	65.3	150.9	155.6	-64	-171.9	52.4	0	0	119.8
253	S	36.2	Very low	39.7	Very low	79 Å²	79	135.4 Å²	135.4	55%	0.552	71%	0.712	S	S	*	*			cis	-162.9	155.1	-13.3	51.9	0	0	0	0	113
254	H	39.5	Very low	39.4	Very low	179 Å²	179	134 Å²	134	83%	0.829	72%	0.719	S	S	*	*			trans	59.9	151.9	163.7	-50.2	-52.1	0	0	0	118.6
255	S	42.7	Very low	39.2	Very low	99 Å²	99	135.8 Å²	135.8	69%	0.692	73%	0.728	S	S	*	*			cis	-176.1	165.7	-17.9	59.7	0	0	0	0	107.3
256	Q	43	Very low	39.2	Very low	164 Å²	164	136.4 Å²	136.4	77%	0.766	74%	0.735	S	S	*	*			cis	-164.8	164	-2.9	-126.5	-177.1	101.2	0	0	109.2
257	T	40	Very low	39	Very low	105 Å²	105	138.4 Å²	138.4	64%	0.644	74%	0.737	S	S	*	*			trans	47.3	148.2	152.9	58.1	0	0	0	0	121.9
258	N	40.7	Very low	38.7	Very low	127 Å²	127	135 Å²	135	68%	0.679	73%	0.73	S	S	*	*			cis	-159.9	138.7	-5.4	-104.5	-6.9	0	0	0	113.4
259	H	39.5	Very low	38.5	Very low	147 Å²	147	137.8 Å²	137.8	68%	0.681	73%	0.733	S	S	*	*			trans	45.3	125.6	139	-66.9	-59.7	0	0	0	127.3
260	L	37.4	Very low	38.7	Very low	141 Å²	141	133.8 Å²	133.8	74%	0.738	72%	0.723	S	S	*	*				62.3	154.7	122.6	-52.5	174.5	0	0	0	121
261	L	37.6	Very low	38.9	Very low	135 Å²	135	132.7 Å²	132.7	71%	0.707	73%	0.726	S	S	*	*			cis	-166.4	174.7	-19.5	-116.5	178.6	0	0	0	110.5
262	N	36	Very low	39	Very low	152 Å²	152	130.5 Å²	130.5	81%	0.813	73%	0.726	S	S	*	*			trans	70.7	154.4	166	-56.4	-18	0	0	0	118.2
263	G	34.4	Very low	39	Very low	66 Å²	66	128.7 Å²	128.7	68%	0.68	72%	0.721	S	S	*	*			cis	156.9	135	-13.8	0	0	0	0	0	115.5
264	S	39.3	Very low	39.3	Very low	123 Å²	123	132 Å²	132	86%	0.86	73%	0.728	S	S	*	*			trans	70.4	142	172.9	-56.6	0	0	0	0	117.2
265	V	37.3	Very low	39.3	Very low	134 Å²	134	129.5 Å²	129.5	81%	0.812	73%	0.725	S	S	*	*			cis	120.5	152.8	10.8	171.8	0	0	0	0	111.1
266	I	40.2	Very low	39.2	Very low	163 Å²	163	129.5 Å²	129.5	84%	0.836	73%	0.725	S	S	*	*			trans	87.5	152.8	177.8	-44.1	-178.2	0	0	0	115.8
267	N	35.4	Very low	39.1	Very low	139 Å²	139	127.7 Å²	127.7	74%	0.743	73%	0.726	S	S	*	*				-174	157	-66.3	-170.1	2.6	0	0	0	110.3
268	S	35.4	Very low	39.1	Very low	75 Å²	75	127.1 Å²	127.1	52%	0.524	73%	0.725	S	S	.	*			trans	78.1	123.4	150.8	-75.4	0	0	0	0	124.4
269	R	36.2	Very low	39	Very low	224 Å²	224	129.7 Å²	129.7	85%	0.845	73%	0.733	S	S	*	*			trans	72.5	159.6	134.5	-61.9	177.6	-176.4	-154.6	-1.6	118
270	T	41.9	Very low	38.9	Very low	111 Å²	111	127.5 Å²	127.5	68%	0.681	74%	0.735	S	S	*	*			cis	-157	168.5	8.9	-14.4	0	0	0	0	112.6
271	T	42.4	Very low	38.8	Very low	126 Å²	126	127.1 Å²	127.1	77%	0.773	74%	0.738	S	S	*	*			trans	63	149.4	151.9	47.4	0	0	0	0	120.7
272	S	43.2	Very low	38.6	Very low	89 Å²	89	126.1 Å²	126.1	62%	0.622	74%	0.743	S	S	*	*			cis	-175.6	164.8	-17.8	52.1	0	0	0	0	112.8
273	N	41	Very low	38.7	Very low	124 Å²	124	125.1 Å²	125.1	66%	0.663	74%	0.742	S	S	*	*			trans	93.5	118.2	147.2	-72	-0.6	0	0	0	124.1
274	H	42.7	Very low	38.8	Very low	150 Å²	150	128 Å²	128	69%	0.694	75%	0.746	S	S	*	*			trans	79.1	110.6	132.7	-60.7	-36.3	0	0	0	123.9
275	T	39.7	Very low	38.6	Very low	125 Å²	125	129.7 Å²	129.7	77%	0.767	75%	0.746	S	S	*	*				47.9	141.9	127.7	58.5	0	0	0	0	122.4
276	S	40.7	Very low	38.6	Very low	99 Å²	99	131.4 Å²	131.4	69%	0.692	74%	0.742	S	S	*	*			cis	-177.7	152.9	-8.4	46.9	0	0	0	0	112.7
277	T	39.9	Very low	38.4	Very low	127 Å²	127	131 Å²	131	78%	0.779	74%	0.742	S	S	*	*			trans	84.1	135.4	155.1	-12.6	0	0	0	0	121.4
278	S	40.3	Very low	38.5	Very low	92 Å²	92	129 Å²	129	64%	0.643	74%	0.739	S	S	*	*			trans	69.5	98.1	145.5	46.9	0	0	0	0	123.3
279	H	39	Very low	38.9	Very low	181 Å²	181	130.3 Å²	130.3	84%	0.838	75%	0.748	S	S	*	*				76.4	142	127	-62.3	-64.6	0	0	0	124
280	S	38.1	Very low	39.1	Very low	102 Å²	102	125.5 Å²	125.5	71%	0.713	74%	0.739	S	S	*	*			trans	81.5	85.4	152.3	-58	0	0	0	0	121.3
281	T	34.6	Very low	39.1	Very low	132 Å²	132	126 Å²	126	81%	0.81	74%	0.738	S	S	*	*			trans	59.7	143	131	53.8	0	0	0	0	122.8
282	S	33.9	Very low	38.8	Very low	115 Å²	115	126.2 Å²	126.2	80%	0.804	73%	0.734	S	S	*	*			trans	85	98.3	163.3	76.5	0	0	0	0	119.2
283	V	37.2	Very low	38.5	Very low	131 Å²	131	129.8 Å²	129.8	79%	0.794	75%	0.745	S	S	*	*			trans	-159.4	122.2	149	-96.4	0	0	0	0	104.3
284	T	36	Very low	38.1	Very low	125 Å²	125	128.7 Å²	128.7	77%	0.767	75%	0.746	S	S	*	*				50.3	119	56.6	67.5	0	0	0	0	114.7
285	N	35.6	Very low	37.8	Very low	160 Å²	160	127.3 Å²	127.3	86%	0.856	75%	0.753	S	S	*	*				-151.9	156.3	125	-131	-22.9	0	0	0	113
286	K	38.2	Very low	37.6	Very low	169 Å²	169	126.5 Å²	126.5	74%	0.735	75%	0.752	S	S	*	*			trans	-120.9	158.5	173.3	-65.3	173.3	178	175.2	0	108.4
287	N	35.7	Very low	37.4	Very low	155 Å²	155	128.7 Å²	128.7	83%	0.829	76%	0.762	S	S	*	*			trans	-171.6	121.9	134.7	-87.3	-29.4	0	0	0	106.1
288	S	37.4	Very low	37.1	Very low	97 Å²	97	130.5 Å²	130.5	68%	0.678	77%	0.767	S	S	*	*			cis	82.4	148.5	38	-56.3	0	0	0	0	114
289	S	44.4	Very low	36.8	Very low	103 Å²	103	130 Å²	130	72%	0.72	78%	0.775	S	S	*	*			trans	85.3	134.8	-171.3	-66.1	0	0	0	0	116.5
290	N	40.2	Very low	36.4	Very low	123 Å²	123	126.4 Å²	126.4	66%	0.658	77%	0.771	S	S	*	*			cis	-161.2	144.6	-4.6	-104.4	-8.2	0	0	0	111.8
291	N	40.1	Very low	36.2	Very low	122 Å²	122	131.8 Å²	131.8	65%	0.652	78%	0.782	S	S	*	*			trans	59.8	152.9	139.1	-58.2	-11.8	0	0	0	121.4
292	N	37.8	Very low	36.2	Very low	129 Å²	129	129 Å²	129	69%	0.69	78%	0.779	S	S	*	*			cis	-172.9	165.1	-22.6	-104.1	-19.1	0	0	0	110.8
293	L	36.1	Very low	36.3	Very low	164 Å²	164	129.8 Å²	129.8	86%	0.859	78%	0.782	S	S	*	*			trans	68.7	152.7	159.4	-95.6	69.6	0	0	0	117.7
294	C	32.8	Very low	36.3	Very low	102 Å²	102	129.5 Å²	129.5	69%	0.689	79%	0.785	S	S	*	*			cis	-155	152.2	-4.6	56.4	0	0	0	0	115
295	S	36.2	Very low	36.1	Very low	120 Å²	120	135 Å²	135	84%	0.839	79%	0.792	S	S	*	*			trans	62.3	126.6	141	-58.6	0	0	0	0	123.7
296	S	34.5	Very low	36.3	Very low	108 Å²	108	134 Å²	134	76%	0.755	79%	0.791	S	S	*	*			trans	-76.1	167.6	172.2	-29.5	0	0	0	0	114.9
297	V	37.3	Very low	35.9	Very low	146 Å²	146	137.4 Å²	137.4	89%	0.885	80%	0.8	S	S	*	*				-164.3	161.6	109.2	-92.9	0	0	0	0	113.3
298	N	33.6	Very low	35.7	Very low	165 Å²	165	135.7 Å²	135.7	88%	0.882	80%	0.797	S	S	*	*			trans	-68.8	157.8	-169	-50.2	-35.3	0	0	0	116.2
299	G	33.2	Very low	35.5	Very low	80 Å²	80	136.7 Å²	136.7	83%	0.825	80%	0.804	S	S	*	*			trans	174	106.6	159.9	0	0	0	0	0	114.5
300	S	32	Very low	34.8	Very low	106 Å²	106	138 Å²	138	74%	0.741	81%	0.807	S	S	*	*			trans	-81	148.6	176.1	-56.6	0	0	0	0	112.5
301	F	34.1	Very low	34.6	Very low	216 Å²	216	139.7 Å²	139.7	95%	0.947	82%	0.815	S	S	*	*				177.1	144.5	118.7	-85.4	-59.6	0	0	0	109.8
302	G	33	Very low	34.3	Very low	74 Å²	74	141.1 Å²	141.1	76%	0.763	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-99.8	155	-164.4	0	0	0	0	0	115.9
303	P	37.5	Very low	34.2	Very low	131 Å²	131	143.3 Å²	143.3	85%	0.851	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-93.9	152.2	179.7	36.4	-34.4	0	0	0	114
304	S	35.9	Very low	34.1	Very low	125 Å²	125	139.4 Å²	139.4	87%	0.874	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-90	170.3	167	-165.6	0	0	0	0	111.9
305	R	33.6	Very low	34.1	Very low	240 Å²	240	138.4 Å²	138.4	91%	0.906	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-79.3	120.3	-167	-57.2	178.4	-174.4	-170.2	0.9	113.5
306	V	38.7	Very low	33.8	Very low	139 Å²	139	136.8 Å²	136.8	84%	0.842	83%	0.832	S	S	*	*			trans	-133.8	144	148.1	-176.1	0	0	0	0	108.3	P308	V306-P308 WeakPolarHBondContact O-CD 3.48Å
307	R	30.8	Very low	33.7	Very low	240 Å²	240	137.1 Å²	137.1	91%	0.906	84%	0.835	S	S	*	*			trans	-92.7	114.6	-173.3	176.2	-170.3	-177	-146.7	4.7	110.6
308	P	30.6	Very low	33.6	Very low	120 Å²	120	136.9 Å²	136.9	78%	0.779	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-82.5	152	175.5	-9.9	28.4	0	0	0	112.5	V306	V306-P308 WeakPolarHBondContact O-CD 3.48Å
309	S	33.5	Very low	33.4	Very low	117 Å²	117	136.8 Å²	136.8	82%	0.818	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-93.9	166.3	165.1	50.3	0	0	0	0	111.6
310	V	29.7	Very low	33.6	Very low	131 Å²	131	139.8 Å²	139.8	79%	0.794	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-49.8	134.6	179.7	-174.1	0	0	0	0	113.4
311	I	34.9	Very low	33.5	Very low	158 Å²	158	143 Å²	143	81%	0.81	82%	0.824	S	S	*	*				-172.6	111.5	123.3	-91.2	154.4	0	0	0	110.2
312	E	33.7	Very low	33.4	Very low	153 Å²	153	137.1 Å²	137.1	72%	0.715	82%	0.816	S	S	*	*			trans	33.6	149.7	137.1	-130.9	-177.1	-116.5	0	0	125.1
313	Q	37	Very low	33.3	Very low	174 Å²	174	142 Å²	142	81%	0.813	82%	0.819	S	S	*	*			trans	75.9	120.8	160.4	-50.6	-173	22.5	0	0	119.7
314	G	34	Very low	32.9	Very low	82 Å²	82	142.1 Å²	142.1	85%	0.845	81%	0.808	S	S	*	*			trans	123.7	94.2	150.7	0	0	0	0	0	118.5
315	G	32	Very low	32.6	Very low	82 Å²	82	148.5 Å²	148.5	85%	0.845	81%	0.813	S	S	*	*			trans	69.8	86.1	139	0	0	0	0	0	120.6
316	G	30.6	Very low	32.4	Very low	85 Å²	85	145.4 Å²	145.4	88%	0.876	80%	0.802	S	S	*	*			trans	48.2	115.2	137.7	0	0	0	0	0	121.2
317	S	32.6	Very low	32	Very low	116 Å²	116	144.3 Å²	144.3	81%	0.811	79%	0.791	S	S	*	*			trans	-143.1	159.4	157.2	-166.5	0	0	0	0	112.1
318	L	35.2	Very low	32.1	Very low	141 Å²	141	140.7 Å²	140.7	74%	0.738	79%	0.786	S	S	*	*			trans	-21.4	131	-169.9	-87.2	58.6	0	0	0	118.5	I320	L318-I320 HydrophobicContact CB-CG1 4.44Å; L318-I320 PolarHBondContact O-N 3.08Å
319	I	29.9	Very low	32.4	Very low	162 Å²	162	143 Å²	143	83%	0.831	79%	0.792	S	S	*	*			trans	-66.1	115.7	147.3	-60.2	170	0	0	0	107.3
320	I	36.9	Very low	32.4	Very low	143 Å²	143	143.2 Å²	143.2	73%	0.733	78%	0.784	S	S	*	*			trans	-106	127.2	155.2	-65.1	177.7	0	0	0	105.4	L318 A322	L318-I320 HydrophobicContact CB-CG1 4.44Å; L318-I320 PolarHBondContact O-N 3.08Å; I320-A322 PolarHBondContact O-N 3.36Å; I320-A322 VanDerWaalsContact O-N 3.1Å
321	E	29.4	Very low	32.8	Very low	173 Å²	173	142.4 Å²	142.4	81%	0.808	78%	0.78	S	S	*	*			trans	-60.5	115.4	-177.2	-72.2	174.8	106.5	0	0	110.8	Q323	E321-Q323 PolarHBondContact O-N 2.91Å
322	A	32.8	Very low	33	Very low	94 Å²	94	139.6 Å²	139.6	78%	0.777	77%	0.766	S	S	*	*			trans	-67.5	102.9	166.6	0	0	0	0	0	107.8	I320 E324	I320-A322 PolarHBondContact O-N 3.36Å; I320-A322 VanDerWaalsContact O-N 3.1Å; A322-E324 PolarHBondContact O-N 2.88Å
323	Q	31.2	Very low	33.2	Very low	177 Å²	177	137.6 Å²	137.6	83%	0.827	77%	0.769	S	S	*	*			trans	-52	138.4	178.9	-66.2	-176.7	-69.7	0	0	110.5	E321 W325	E321-Q323 PolarHBondContact O-N 2.91Å; Q323-W325 PolarHBondContact O-N 2.81Å; Q323-W325 VanDerWaalsContact O-N 3.14Å
324	E	27.2	Very low	34	Very low	132 Å²	132	131.8 Å²	131.8	62%	0.617	75%	0.748	S	S	*	*			trans	-65.5	111.6	-159.7	-66.5	170.8	115.4	0	0	112.8	A322 R326	A322-E324 PolarHBondContact O-N 2.88Å; E324-R326 HydrophobicContact CB-CB 4.27Å; E324-R326 HydrophobicContact CB-CG 4.04Å; E324-R326 PolarHBondContact O-N 2.73Å; E324-R326 IonicContact OE1-CZ 2.62Å; E324-R326 IonicContact OE1-NE 3.34Å; E324-R326 PolarHBondContact OE1-NE 2.71Å; E324-R326 IonicContact OE1-NH1 3.42Å; E324-R326 PolarHBondContact OE1-NH1 3.1Å; E324-R326 IonicContact OE1-NH2 2.85Å; E324-R326 PolarHBondContact OE1-NH2 3.06Å
325	W	31.6	Very low	35.5	Very low	260 Å²	260	134 Å²	134	99%	0.985	74%	0.736	S	S	*	*			trans	-76.1	47.3	162.4	-70.8	98.8	0	0	0	111.4	Q323	Q323-W325 PolarHBondContact O-N 2.81Å; Q323-W325 VanDerWaalsContact O-N 3.14Å
326	R	28.2	Very low	38	Very low	175 Å²	175	134 Å²	134	66%	0.66	71%	0.714	S	S	*	*			trans	-89.6	144.9	174.7	-70.3	-178.2	-175.3	163.5	12.9	110	E324	E324-R326 HydrophobicContact CB-CB 4.27Å; E324-R326 HydrophobicContact CB-CG 4.04Å; E324-R326 PolarHBondContact O-N 2.73Å; E324-R326 IonicContact OE1-CZ 2.62Å; E324-R326 IonicContact OE1-NE 3.34Å; E324-R326 PolarHBondContact OE1-NE 2.71Å; E324-R326 IonicContact OE1-NH1 3.42Å; E324-R326 PolarHBondContact OE1-NH1 3.1Å; E324-R326 IonicContact OE1-NH2 2.85Å; E324-R326 PolarHBondContact OE1-NH2 3.06Å
327	D	30.6	Very low	40.9	Very low	115 Å²	115	132.2 Å²	132.2	62%	0.615	69%	0.686	S	S	*	*			trans	65.1	46.4	154.2	-48.7	-28.8	0	0	0	119.1	N329	D327-N329 VanDerWaalsContact C-N 3.33Å
328	M	33	Very low	43.8	Very low	165 Å²	165	126.7 Å²	126.7	81%	0.813	65%	0.647	S	S	*	*	S	Bend	trans	-94.6	19.3	153.3	-75	-75.5	97.8	0	0	113.6
329	N	37.2	Very low	46.4	Very low	168 Å²	168	123.1 Å²	123.1	90%	0.898	63%	0.629	S	S	*	*	S	Bend	trans	-111	10.7	170.1	-97.3	-21.5	0	0	0	112.6	D327	D327-N329 VanDerWaalsContact C-N 3.33Å
330	N	33	Very low	49.3	Very low	121 Å²	121	121.6 Å²	121.6	65%	0.647	62%	0.617	S	S	*	*			trans	-113.4	62.9	-178.3	-169.2	23.5	0	0	0	111.6
331	T	37.5	Very low	51.9	Low	115 Å²	115	115.8 Å²	115.8	71%	0.706	59%	0.589	S	S	*	*	S	Bend	trans	-125.9	113	172.2	55.7	0	0	0	0	110.4
332	D	38.9	Very low	54.7	Low	98 Å²	98	111 Å²	111	52%	0.524	57%	0.568	S	S	.	*			trans	65.9	108.7	-179	-146.7	-28.6	0	0	0	114.9	R35 S334	R35-D332 IonicContact CZ-OD2 3.54Å; R35-D332 IonicContact NH1-OD2 3.16Å; R35-D332 PolarHBondContact NH1-OD2 3.46Å; D332-S334 PolarHBondContact O-N 3.46Å; D332-S334 PolarHBondContact OD1-N 3.33Å
333	S	38.1	Very low	57.4	Low	111 Å²	111	106.5 Å²	106.5	78%	0.776	53%	0.531	S	S	*	.			trans	-73.4	36.2	170.8	-50.1	0	0	0	0	112.6	E335	S333-E335 PolarHBondContact O-N 3.22Å
334	S	54.6	Low	60.2	Low	52 Å²	52	100.1 Å²	100.1	36%	0.364	50%	0.503	S	S	.	.			trans	-67.2	111.8	166.6	56.9	0	0	0	0	109.2	D332	D332-S334 PolarHBondContact O-N 3.46Å; D332-S334 PolarHBondContact OD1-N 3.33Å
335	E	65.9	Low	63.2	Low	130 Å²	130	99.3 Å²	99.3	61%	0.607	50%	0.499	S	S	*	.			trans	-51.7	151.6	177.8	-67	147	130.3	0	0	111.3	S333 T337	S333-E335 PolarHBondContact O-N 3.22Å; E335-T337 PolarHBondContact O-N 3.21Å
336	H	83.6	Confident	66	Low	81 Å²	81	91.4 Å²	91.4	38%	0.375	48%	0.483	S	S	.	.			trans	-77	54.5	-169.4	-71.2	-2.5	0	0	0	112.7	D344 M357 R359 F366	H336-D344 PolarHBondContact N-OD1 2.8Å; H336-M357 HydrophobicContact CB-CE 3.86Å; H336-M357 WeakPolarHBondContact O-CE 3.37Å; H336-R359 PolarHBondContact CD2-NH2 3.1Å; H336-R359 PolarHBondContact NE2-NH2 2.87Å; H336-F366 HydrophobicContact CB-CD1 4.16Å; H336-F366 HydrophobicContact CB-CD2 4.34Å; H336-F366 HydrophobicContact CB-CE1 3.75Å; H336-F366 HydrophobicContact CB-CE2 3.97Å; H336-F366 HydrophobicContact CB-CG 4.42Å; H336-F366 HydrophobicContact CB-CZ 3.64Å; H336-F366 AromaticContact CD2-CE1 3.62Å; H336-F366 AromaticContact CD2-CZ 3.39Å; H336-F366 WeakPolarHBondContact CD2-CZ 3.45Å; H336-F366 AromaticContact CE1-CZ 3.82Å; H336-F366 AromaticContact CG-CE1 3.72Å; H336-F366 AromaticContact CG-CE2 3.86Å; H336-F366 AromaticContact CG-CZ 3.27Å; H336-F366 AromaticContact ND1-CE2 3.89Å; H336-F366 AromaticContact ND1-CZ 3.57Å; H336-F366 AromaticContact NE2-CZ 3.7Å
337	T	91	Very high	68.9	Low	48 Å²	48	87 Å²	87	29%	0.294	47%	0.473	S	S	.	.			trans	-67.8	135.6	-171.2	61	0	0	0	0	113.3	E335 D344	E335-T337 PolarHBondContact O-N 3.21Å; T337-D344 WeakPolarHBondContact CA-OD1 3.25Å; T337-D344 VanDerWaalsContact CG2-OD1 3.31Å; T337-D344 WeakPolarHBondContact CG2-OD1 3.32Å; T337-D344 PolarHBondContact N-OD1 3.35Å
338	C	93.2	Very high	71.8	Confident	0 Å²	0	81.6 Å²	81.6	0%	0	44%	0.443	C	S	.	.	B	Isolated β-bridge	trans	-62.9	129	169.7	169.8	0	0	0	0	112.6	F340 C341 L342 G343 M357 F366 H368	C338-F340 PolarHBondContact O-N 2.73Å; C338-F340 VanDerWaalsContact O-N 3.08Å; C338-C341 PolarHBondContact O-N 3.38Å; C338-C341 VanDerWaalsContact SG-SG 3.68Å; C338-L342 WeakPolarHBondContact O-CA 3.47Å; C338-L342 PolarHBondContact O-N 3.23Å; C338-G343 VanDerWaalsContact CB-O 3.28Å; C338-G343 WeakPolarHBondContact CB-O 3.33Å; C338-G343 PolarHBondContact N-O 3Å; C338-M357 HydrophobicContact CB-SD 4.46Å; C338-F366 WeakPolarHBondContact CA-O 3.17Å; C338-H368 VanDerWaalsContact CB-CE1 3.47Å; C338-H368 WeakPolarHBondContact CB-CE1 3.43Å; C338-H368 VanDerWaalsContact CB-ND1 3.29Å; C338-H368 WeakPolarHBondContact CB-ND1 3.3Å; C338-H368 PolarHBondContact SG-ND1 3.48Å; C338-H368 VanDerWaalsContact SG-ND1 3.41Å
339	D	90.1	Very high	74.5	Confident	66 Å²	66	79 Å²	79	35%	0.353	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-14.4	-176.1	-142.9	18.5	0	0	0	113.9	R36 F366	R36-D339 IonicContact CZ-OD1 2.74Å; R36-D339 IonicContact CZ-OD2 2.62Å; R36-D339 IonicContact NH1-OD1 3.82Å; R36-D339 PolarHBondContact NH1-OD1 2.81Å; R36-D339 IonicContact NH1-OD2 3.35Å; R36-D339 IonicContact NH2-OD1 3.62Å; R36-D339 PolarHBondContact NH2-OD1 3.1Å; R36-D339 IonicContact NH2-OD2 2.84Å; R36-D339 PolarHBondContact NH2-OD2 2.8Å; D339-F366 PolarHBondContact N-O 2.82Å
340	F	90.8	Very high	77	Confident	130 Å²	130	76.9 Å²	76.9	57%	0.57	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-36.9	-177.9	-62.5	-87.4	0	0	0	114.5	C338 A367 C371 L372	C338-F340 PolarHBondContact O-N 2.73Å; C338-F340 VanDerWaalsContact O-N 3.08Å; F340-A367 HydrophobicContact CD2-CB 3.61Å; F340-A367 HydrophobicContact CE2-CB 3.62Å; F340-C371 HydrophobicContact CB-CB 3.92Å; F340-C371 HydrophobicContact CD2-CB 4.04Å; F340-C371 HydrophobicContact CG-CB 4.17Å; F340-L372 HydrophobicContact CE2-CD2 3.52Å; F340-L372 HydrophobicContact CE2-CG 3.99Å; F340-L372 HydrophobicContact CZ-CD2 3.7Å
341	C	92.2	Very high	79.7	Confident	21 Å²	21	74 Å²	74	14%	0.142	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-6.8	-174.6	76.1	0	0	0	0	113.8	C338 G343 N348 K349 K350 H368	C338-C341 PolarHBondContact O-N 3.38Å; C338-C341 VanDerWaalsContact SG-SG 3.68Å; C341-G343 PolarHBondContact O-N 3.09Å; C341-N348 PolarHBondContact SG-OD1 2.92Å; C341-N348 VanDerWaalsContact SG-OD1 3.41Å; C341-K349 HydrophobicContact CB-CB 4.26Å; C341-K349 WeakPolarHBondContact O-CD 3.33Å; C341-K350 HydrophobicContact CB-CB 4.38Å; C341-H368 VanDerWaalsContact SG-CE1 3.55Å; C341-H368 PolarHBondContact SG-ND1 2.81Å
342	L	88.6	Confident	82.2	Confident	71 Å²	71	71.1 Å²	71.1	37%	0.372	39%	0.391	S	S	.	.	S	Bend	trans	52.7	38.5	-178	-52.1	179.5	0	0	0	113.1	F29 C338 K349	F29-L342 HydrophobicContact CE1-CD1 4.15Å; F29-L342 HydrophobicContact CZ-CD1 4.36Å; C338-L342 WeakPolarHBondContact O-CA 3.47Å; C338-L342 PolarHBondContact O-N 3.23Å; L342-K349 VanDerWaalsContact O-CE 3.27Å; L342-K349 WeakPolarHBondContact O-CE 3.38Å; L342-K349 PolarHBondContact O-NZ 3.13Å
343	G	89	Confident	84.7	Confident	1 Å²	1	75.4 Å²	75.4	1%	0.01	40%	0.399	C	S	.	.			trans	-128	165.1	169.9	0	0	0	0	0	111	C338 C341 L347 H368	C338-G343 VanDerWaalsContact CB-O 3.28Å; C338-G343 WeakPolarHBondContact CB-O 3.33Å; C338-G343 PolarHBondContact N-O 3Å; C341-G343 PolarHBondContact O-N 3.09Å; G343-L347 WeakPolarHBondContact CA-O 3.49Å; G343-H368 PolarHBondContact O-CE1 3.38Å; G343-H368 VanDerWaalsContact O-CE1 3.3Å
344	D	90.3	Very high	87.2	Confident	42 Å²	42	74.3 Å²	74.3	23%	0.225	39%	0.392	C	S	.	.			trans	-105	-171.6	-169.7	-51.9	-76.7	0	0	0	112	H336 T337 S346 L347 H368	H336-D344 PolarHBondContact N-OD1 2.8Å; T337-D344 WeakPolarHBondContact CA-OD1 3.25Å; T337-D344 VanDerWaalsContact CG2-OD1 3.31Å; T337-D344 WeakPolarHBondContact CG2-OD1 3.32Å; T337-D344 PolarHBondContact N-OD1 3.35Å; D344-S346 PolarHBondContact O-N 2.9Å; D344-L347 PolarHBondContact N-O 3.3Å; D344-L347 CarbonylContact O-C 3.55Å; D344-L347 VanDerWaalsContact O-C 3.3Å; D344-L347 PolarHBondContact O-N 3.29Å; D344-H368 PolarHBondContact O-CE1 3.03Å; D344-H368 PolarHBondContact O-NE2 3.36Å
345	E	90.3	Very high	88.9	Confident	116 Å²	116	73.8 Å²	73.8	54%	0.542	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-36.8	-179.5	-150.7	-179.4	129	0	0	112.4	S354 E355 M357	E345-S354 CarbonylContact O-C 3.6Å; E345-S354 WeakPolarHBondContact O-CA 3.39Å; E345-E355 WeakPolarHBondContact CA-O 3.46Å; E345-E355 PolarHBondContact O-N 3.43Å; E345-M357 HydrophobicContact CB-CE 3.79Å; E345-M357 HydrophobicContact CG-CE 4.44Å; E345-M357 VanDerWaalsContact N-CE 3.25Å
346	S	89.9	Confident	90	Very high	93 Å²	93	71 Å²	71	65%	0.65	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-23.8	179.6	54.5	0	0	0	0	114.1	D344 S354	D344-S346 PolarHBondContact O-N 2.9Å; S346-S354 WeakPolarHBondContact O-CA 3.4Å; S346-S354 WeakPolarHBondContact O-CB 3.3Å
347	L	89.1	Confident	90.3	Very high	84 Å²	84	67.7 Å²	67.7	44%	0.44	36%	0.358	S	S	.	.			trans	-156.9	98.8	-175.7	-174	65.9	0	0	0	112.8	G343 D344 K349	G343-L347 WeakPolarHBondContact CA-O 3.49Å; D344-L347 PolarHBondContact N-O 3.3Å; D344-L347 CarbonylContact O-C 3.55Å; D344-L347 VanDerWaalsContact O-C 3.3Å; D344-L347 PolarHBondContact O-N 3.29Å; L347-K349 PolarHBondContact O-N 3.48Å
348	N	91.4	Very high	90.4	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-72.1	108.8	161.6	180	-8.6	0	0	0	110	C341 K350 T351 G352 R353 E355 S370	C341-N348 PolarHBondContact SG-OD1 2.92Å; C341-N348 VanDerWaalsContact SG-OD1 3.41Å; N348-K350 PolarHBondContact O-N 2.86Å; N348-K350 VanDerWaalsContact O-N 3.14Å; N348-K350 VanDerWaalsContact OD1-CB 3.31Å; N348-K350 WeakPolarHBondContact OD1-CB 3.46Å; N348-K350 PolarHBondContact OD1-N 3.36Å; N348-T351 WeakPolarHBondContact CB-OG1 3.5Å; N348-T351 PolarHBondContact ND2-OG1 3.26Å; N348-T351 PolarHBondContact O-N 3.27Å; N348-T351 VanDerWaalsContact O-N 3.14Å; N348-G352 PolarHBondContact O-N 3.2Å; N348-R353 WeakPolarHBondContact CB-O 3.43Å; N348-R353 PolarHBondContact N-O 3.28Å; N348-E355 HydrophobicContact CB-CB 4.32Å; N348-E355 PolarHBondContact ND2-OE2 2.85Å; N348-S370 PolarHBondContact ND2-OG 2.85Å
349	K	89	Confident	90.4	Very high	111 Å²	111	69.1 Å²	69.1	48%	0.483	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-15.2	-177.9	-61.6	-175.1	-176.6	165.1	0	114.4	C341 L342 L347	C341-K349 HydrophobicContact CB-CB 4.26Å; C341-K349 WeakPolarHBondContact O-CD 3.33Å; L342-K349 VanDerWaalsContact O-CE 3.27Å; L342-K349 WeakPolarHBondContact O-CE 3.38Å; L342-K349 PolarHBondContact O-NZ 3.13Å; L347-K349 PolarHBondContact O-N 3.48Å
350	K	89.5	Confident	90.6	Very high	123 Å²	123	66.1 Å²	66.1	54%	0.535	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-28.3	175.6	-173.2	-173.8	172.6	-167.3	0	112.6	C341 N348 S370	C341-K350 HydrophobicContact CB-CB 4.38Å; N348-K350 PolarHBondContact O-N 2.86Å; N348-K350 VanDerWaalsContact O-N 3.14Å; N348-K350 VanDerWaalsContact OD1-CB 3.31Å; N348-K350 WeakPolarHBondContact OD1-CB 3.46Å; N348-K350 PolarHBondContact OD1-N 3.36Å; K350-S370 PolarHBondContact NZ-O 3.21Å
351	T	90.8	Very high	90.6	Very high	60 Å²	60	61.1 Å²	61.1	37%	0.368	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-13.8	-174.5	60.2	0	0	0	0	114.1	N348 R353	N348-T351 WeakPolarHBondContact CB-OG1 3.5Å; N348-T351 PolarHBondContact ND2-OG1 3.26Å; N348-T351 PolarHBondContact O-N 3.27Å; N348-T351 VanDerWaalsContact O-N 3.14Å; T351-R353 VanDerWaalsContact C-N 3.3Å; T351-R353 PolarHBondContact O-N 3.39Å
352	G	89.5	Confident	90.4	Very high	56 Å²	56	62.2 Å²	62.2	58%	0.577	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	23.2	-177.8	0	0	0	0	0	113.8	N348	N348-G352 PolarHBondContact O-N 3.2Å
353	R	90.8	Very high	90.5	Very high	187 Å²	187	61.3 Å²	61.3	71%	0.706	33%	0.326	S	S	*	.	B	Isolated β-bridge	trans	-133.8	155.1	-175.3	-63.1	-179.4	-176.9	-177.6	-0.3	111.4	N348 T351	N348-R353 WeakPolarHBondContact CB-O 3.43Å; N348-R353 PolarHBondContact N-O 3.28Å; T351-R353 VanDerWaalsContact C-N 3.3Å; T351-R353 PolarHBondContact O-N 3.39Å
354	S	91.7	Very high	90.6	Very high	89 Å²	89	63 Å²	63	62%	0.622	34%	0.344	S	S	*	.			trans	-66.2	137.2	164.1	54.4	0	0	0	0	110.5	E345 S346	E345-S354 CarbonylContact O-C 3.6Å; E345-S354 WeakPolarHBondContact O-CA 3.39Å; S346-S354 WeakPolarHBondContact O-CA 3.4Å; S346-S354 WeakPolarHBondContact O-CB 3.3Å
355	E	89.8	Confident	90.6	Very high	41 Å²	41	63.2 Å²	63.2	19%	0.192	34%	0.341	C	S	.	.			trans	-154.7	135.6	-176	-168.2	-175.8	153.8	0	0	109.5	E345 N348 H368 F369 S370	E345-E355 WeakPolarHBondContact CA-O 3.46Å; E345-E355 PolarHBondContact O-N 3.43Å; N348-E355 HydrophobicContact CB-CB 4.32Å; N348-E355 PolarHBondContact ND2-OE2 2.85Å; E355-H368 HydrophobicContact CG-CB 4.38Å; E355-H368 PolarHBondContact O-CD2 2.7Å; E355-H368 VanDerWaalsContact O-CD2 3.29Å; E355-F369 PolarHBondContact OE1-N 3.12Å; E355-S370 VanDerWaalsContact CD-OG 3.28Å; E355-S370 VanDerWaalsContact OE1-CB 3.28Å; E355-S370 WeakPolarHBondContact OE1-CB 3.41Å; E355-S370 PolarHBondContact OE1-N 2.89Å; E355-S370 PolarHBondContact OE1-OG 2.8Å; E355-S370 WeakPolarHBondContact OE2-CB 3.48Å; E355-S370 PolarHBondContact OE2-OG 3.48Å
356	D	89	Confident	90.7	Very high	70 Å²	70	59 Å²	59	37%	0.374	32%	0.322	S	S	.	.			trans	-62.2	157.1	176.1	177.3	35.1	0	0	0	111.4	F369 H383	D356-F369 HydrophobicContact CB-CE2 3.85Å; D356-F369 VanDerWaalsContact O-CD2 3.25Å; D356-F369 WeakPolarHBondContact O-CD2 3.36Å; D356-F369 WeakPolarHBondContact O-CE2 3.36Å; D356-H383 IonicContact OD2-CE1 3.21Å; D356-H383 PolarHBondContact OD2-CE1 3.11Å
357	M	90.9	Very high	90.8	Very high	12 Å²	12	54.8 Å²	54.8	6%	0.059	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.3	-171.5	-68.2	-173.7	-57.2	0	0	113.8	H336 C338 E345 R359 F366 H368	H336-M357 HydrophobicContact CB-CE 3.86Å; H336-M357 WeakPolarHBondContact O-CE 3.37Å; C338-M357 HydrophobicContact CB-SD 4.46Å; E345-M357 HydrophobicContact CB-CE 3.79Å; E345-M357 HydrophobicContact CG-CE 4.44Å; E345-M357 VanDerWaalsContact N-CE 3.25Å; M357-R359 PolarHBondContact O-N 2.85Å; M357-F366 HydrophobicContact CB-CD1 4.25Å; M357-F366 HydrophobicContact CE-CD1 4.45Å; M357-H368 WeakPolarHBondContact CG-CD2 3.47Å
358	L	92.2	Very high	91.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	101.1	178.2	-162.6	76.2	0	0	0	111	F366 A367 F369 L372 F374 V382 W387	L358-F366 WeakPolarHBondContact O-CA 3.37Å; L358-A367 WeakPolarHBondContact CB-O 3.35Å; L358-A367 PolarHBondContact N-O 2.89Å; L358-A367 PolarHBondContact O-N 3.36Å; L358-F369 HydrophobicContact CB-CD1 4.5Å; L358-F369 HydrophobicContact CB-CE1 4.26Å; L358-F369 HydrophobicContact CB-CZ 4.43Å; L358-F369 HydrophobicContact CD1-CD1 4.29Å; L358-F369 HydrophobicContact CD1-CE1 3.54Å; L358-F369 HydrophobicContact CD1-CZ 4.01Å; L358-F369 HydrophobicContact CG-CE1 4.4Å; L358-L372 HydrophobicContact CB-CD1 4.28Å; L358-L372 HydrophobicContact CD2-CD1 3.52Å; L358-F374 HydrophobicContact CD2-CD2 4.05Å; L358-F374 HydrophobicContact CD2-CE2 3.31Å; L358-F374 HydrophobicContact CD2-CZ 3.89Å; L358-V382 HydrophobicContact CD1-CB 4Å; L358-V382 HydrophobicContact CD1-CG2 3.38Å; L358-V382 HydrophobicContact CD2-CG2 4.37Å; L358-W387 HydrophobicContact CB-CZ3 4.46Å; L358-W387 HydrophobicContact CD1-CD2 4.39Å; L358-W387 HydrophobicContact CD1-CE3 4.46Å; L358-W387 HydrophobicContact CD1-CG 4.46Å; L358-W387 HydrophobicContact CD2-CD2 3.41Å; L358-W387 VanDerWaalsContact CD2-CD2 3.41Å; L358-W387 HydrophobicContact CD2-CE3 3.63Å; L358-W387 HydrophobicContact CD2-CG 4.01Å; L358-W387 HydrophobicContact CD2-CH2 3.68Å; L358-W387 HydrophobicContact CD2-CZ2 3.49Å; L358-W387 VanDerWaalsContact CD2-CZ2 3.49Å; L358-W387 HydrophobicContact CD2-CZ3 3.75Å; L358-W387 HydrophobicContact CG-CD2 3.76Å; L358-W387 HydrophobicContact CG-CE3 3.56Å; L358-W387 HydrophobicContact CG-CG 4.31Å; L358-W387 HydrophobicContact CG-CH2 4.24Å; L358-W387 HydrophobicContact CG-CZ2 4.43Å; L358-W387 HydrophobicContact CG-CZ3 3.81Å
359	R	92.9	Very high	91.1	Very high	79 Å²	79	51.4 Å²	51.4	30%	0.298	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	128.1	173.1	-166.8	-170.3	-59.2	-115.8	-3.8	111.6	R220 C223 H336 M357 R365 F366	R220-R359 PolarHBondContact NH2-O 3.25Å; C223-R359 PolarHBondContact SG-NH2 3.21Å; H336-R359 PolarHBondContact CD2-NH2 3.1Å; H336-R359 PolarHBondContact NE2-NH2 2.87Å; M357-R359 PolarHBondContact O-N 2.85Å; R359-R365 CarbonylContact C-O 3.43Å; R359-R365 WeakPolarHBondContact CA-O 3.35Å; R359-F366 HydrophobicContact CB-CD1 4.06Å; R359-F366 HydrophobicContact CB-CE1 4.01Å; R359-F366 HydrophobicContact CG-CD1 4.22Å; R359-F366 HydrophobicContact CG-CE1 3.89Å; R359-F366 HydrophobicContact CG-CZ 4.12Å; R359-F366 VanDerWaalsContact CZ-CE1 3.4Å
360	C	93.8	Very high	91.3	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.014	26%	0.263	C	S	.	.			trans	-70.4	127.6	170.2	177.7	0	0	0	0	110.7	D362 C363 G364 R365 W387 C389	C360-D362 PolarHBondContact O-N 2.69Å; C360-C363 PolarHBondContact SG-SG 2.74Å; C360-G364 WeakPolarHBondContact O-CA 3.46Å; C360-G364 PolarHBondContact O-N 3.12Å; C360-R365 PolarHBondContact N-O 2.98Å; C360-W387 HydrophobicContact CB-CE3 4.24Å; C360-W387 HydrophobicContact CB-CZ3 3.82Å; C360-C389 HydrophobicContact CB-CB 4Å; C360-C389 PolarHBondContact SG-N 2.62Å; C360-C389 PolarHBondContact SG-SG 2.84Å
361	S	90.9	Very high	91.5	Very high	25 Å²	25	42.4 Å²	42.4	18%	0.175	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-5.3	-173.7	-45	0	0	0	0	114.7	R386 W387	S361-R386 PolarHBondContact O-NH2 3.45Å; S361-R386 WeakPolarHBondContact OG-CA 3.45Å; S361-R386 WeakPolarHBondContact OG-CB 3.5Å; S361-W387 VanDerWaalsContact CB-O 3.32Å; S361-W387 WeakPolarHBondContact CB-O 3.41Å; S361-W387 PolarHBondContact N-O 3.35Å; S361-W387 PolarHBondContact OG-N 3.12Å; S361-W387 PolarHBondContact OG-O 2.87Å
362	D	89	Confident	91.6	Very high	45 Å²	45	41.6 Å²	41.6	24%	0.241	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-41.8	-173.3	-76.8	16.8	0	0	0	112.9	R204 C360 Q388 C392	R204-D362 IonicContact CZ-OD1 3.87Å; R204-D362 IonicContact CZ-OD2 3.21Å; R204-D362 IonicContact NE-OD2 3.64Å; R204-D362 IonicContact NH2-OD1 3.41Å; R204-D362 PolarHBondContact NH2-OD1 3.23Å; R204-D362 IonicContact NH2-OD2 2.69Å; R204-D362 PolarHBondContact NH2-OD2 3.47Å; C360-D362 PolarHBondContact O-N 2.69Å; D362-Q388 PolarHBondContact OD2-NE2 3.27Å; D362-C392 HydrophobicContact CB-CB 3.93Å
363	C	91.6	Very high	91.6	Very high	51 Å²	51	46.7 Å²	46.7	35%	0.345	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	2.2	-179.3	70.3	0	0	0	0	114.8	C360 R365 C389	C360-C363 PolarHBondContact SG-SG 2.74Å; C363-R365 PolarHBondContact O-N 3.02Å; C363-R365 VanDerWaalsContact O-N 3.1Å; C363-C389 PolarHBondContact SG-SG 3.06Å
364	G	90.1	Very high	91.7	Very high	36 Å²	36	39.3 Å²	39.3	37%	0.371	22%	0.216	S	C	.	.			trans	72.4	-3.8	174.6	0	0	0	0	0	116.7	C360 F366	C360-G364 WeakPolarHBondContact O-CA 3.46Å; C360-G364 PolarHBondContact O-N 3.12Å; G364-F366 VanDerWaalsContact O-CD2 3.27Å; G364-F366 WeakPolarHBondContact O-CD2 3.48Å; G364-F366 VanDerWaalsContact O-CE2 3.25Å; G364-F366 WeakPolarHBondContact O-CE2 3.31Å
365	R	89.9	Confident	91.7	Very high	47 Å²	47	38 Å²	38	18%	0.177	20%	0.203	C	C	.	.			trans	-59.1	146.4	177.4	-64	176.8	-167	-165.8	2.2	111.7	R36 D40 R359 C360 C363	R36-R365 VanDerWaalsContact NH2-CZ 3.34Å; R36-R365 VanDerWaalsContact NH2-NH1 3.19Å; D40-R365 IonicContact OD1-NH2 3.63Å; D40-R365 PolarHBondContact OD1-NH2 2.81Å; D40-R365 IonicContact OD2-NH2 2.87Å; D40-R365 PolarHBondContact OD2-NH2 2.94Å; R359-R365 CarbonylContact C-O 3.43Å; R359-R365 WeakPolarHBondContact CA-O 3.35Å; C360-R365 PolarHBondContact N-O 2.98Å; C363-R365 PolarHBondContact O-N 3.02Å; C363-R365 VanDerWaalsContact O-N 3.1Å
366	F	92.6	Very high	91.7	Very high	29 Å²	29	40.8 Å²	40.8	13%	0.127	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	150	-178.8	-63.3	-98.7	0	0	0	112	H336 C338 D339 M357 L358 R359 G364	H336-F366 HydrophobicContact CB-CD1 4.16Å; H336-F366 HydrophobicContact CB-CD2 4.34Å; H336-F366 HydrophobicContact CB-CE1 3.75Å; H336-F366 HydrophobicContact CB-CE2 3.97Å; H336-F366 HydrophobicContact CB-CG 4.42Å; H336-F366 HydrophobicContact CB-CZ 3.64Å; H336-F366 AromaticContact CD2-CE1 3.62Å; H336-F366 AromaticContact CD2-CZ 3.39Å; H336-F366 WeakPolarHBondContact CD2-CZ 3.45Å; H336-F366 AromaticContact CE1-CZ 3.82Å; H336-F366 AromaticContact CG-CE1 3.72Å; H336-F366 AromaticContact CG-CE2 3.86Å; H336-F366 AromaticContact CG-CZ 3.27Å; H336-F366 AromaticContact ND1-CE2 3.89Å; H336-F366 AromaticContact ND1-CZ 3.57Å; H336-F366 AromaticContact NE2-CZ 3.7Å; C338-F366 WeakPolarHBondContact CA-O 3.17Å; D339-F366 PolarHBondContact N-O 2.82Å; M357-F366 HydrophobicContact CB-CD1 4.25Å; M357-F366 HydrophobicContact CE-CD1 4.45Å; L358-F366 WeakPolarHBondContact O-CA 3.37Å; R359-F366 HydrophobicContact CB-CD1 4.06Å; R359-F366 HydrophobicContact CB-CE1 4.01Å; R359-F366 HydrophobicContact CG-CD1 4.22Å; R359-F366 HydrophobicContact CG-CE1 3.89Å; R359-F366 HydrophobicContact CG-CZ 4.12Å; R359-F366 VanDerWaalsContact CZ-CE1 3.4Å; G364-F366 VanDerWaalsContact O-CD2 3.27Å; G364-F366 WeakPolarHBondContact O-CD2 3.48Å; G364-F366 VanDerWaalsContact O-CE2 3.25Å; G364-F366 WeakPolarHBondContact O-CE2 3.31Å
367	A	93.1	Very high	91.8	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.033	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	148.1	161.9	0	0	0	0	0	112.2	F340 L358 L372	F340-A367 HydrophobicContact CD2-CB 3.61Å; F340-A367 HydrophobicContact CE2-CB 3.62Å; L358-A367 WeakPolarHBondContact CB-O 3.35Å; L358-A367 PolarHBondContact N-O 2.89Å; L358-A367 PolarHBondContact O-N 3.36Å; A367-L372 HydrophobicContact CB-CD1 3.81Å; A367-L372 HydrophobicContact CB-CD2 4.38Å; A367-L372 HydrophobicContact CB-CG 3.76Å
368	H	93.9	Very high	91.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	147.8	166.1	-56.2	107.2	0	0	0	110.9	C338 C341 G343 D344 E355 M357 S370 C371 L372	C338-H368 VanDerWaalsContact CB-CE1 3.47Å; C338-H368 WeakPolarHBondContact CB-CE1 3.43Å; C338-H368 VanDerWaalsContact CB-ND1 3.29Å; C338-H368 WeakPolarHBondContact CB-ND1 3.3Å; C338-H368 PolarHBondContact SG-ND1 3.48Å; C338-H368 VanDerWaalsContact SG-ND1 3.41Å; C341-H368 VanDerWaalsContact SG-CE1 3.55Å; C341-H368 PolarHBondContact SG-ND1 2.81Å; G343-H368 PolarHBondContact O-CE1 3.38Å; G343-H368 VanDerWaalsContact O-CE1 3.3Å; D344-H368 PolarHBondContact O-CE1 3.03Å; D344-H368 PolarHBondContact O-NE2 3.36Å; E355-H368 HydrophobicContact CG-CB 4.38Å; E355-H368 PolarHBondContact O-CD2 2.7Å; E355-H368 VanDerWaalsContact O-CD2 3.29Å; M357-H368 WeakPolarHBondContact CG-CD2 3.47Å; H368-S370 VanDerWaalsContact C-N 3.3Å; H368-S370 PolarHBondContact O-N 3.44Å; H368-C371 HydrophobicContact CB-CB 4.04Å; H368-C371 WeakPolarHBondContact O-CB 3.48Å; H368-C371 PolarHBondContact O-N 3.31Å; H368-C371 VanDerWaalsContact O-N 3.11Å; H368-L372 PolarHBondContact O-N 3.18Å
369	F	93.1	Very high	91.9	Very high	12 Å²	12	42.1 Å²	42.1	5%	0.053	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-37.5	-179.2	-59.8	-92.9	0	0	0	112.1	E355 D356 L358 L372 Q373 F374 I379 V382 H383	E355-F369 PolarHBondContact OE1-N 3.12Å; D356-F369 HydrophobicContact CB-CE2 3.85Å; D356-F369 VanDerWaalsContact O-CD2 3.25Å; D356-F369 WeakPolarHBondContact O-CD2 3.36Å; D356-F369 WeakPolarHBondContact O-CE2 3.36Å; L358-F369 HydrophobicContact CB-CD1 4.5Å; L358-F369 HydrophobicContact CB-CE1 4.26Å; L358-F369 HydrophobicContact CB-CZ 4.43Å; L358-F369 HydrophobicContact CD1-CD1 4.29Å; L358-F369 HydrophobicContact CD1-CE1 3.54Å; L358-F369 HydrophobicContact CD1-CZ 4.01Å; L358-F369 HydrophobicContact CG-CE1 4.4Å; F369-L372 CarbonylContact O-C 3.25Å; F369-L372 PolarHBondContact O-N 3.46Å; F369-Q373 PolarHBondContact O-N 2.9Å; F369-F374 HydrophobicContact CB-CB 4.42Å; F369-F374 HydrophobicContact CD1-CD2 4.16Å; F369-F374 PolarHBondContact O-N 3.35Å; F369-I379 HydrophobicContact CB-CD1 4.08Å; F369-I379 HydrophobicContact CB-CG1 4.04Å; F369-I379 HydrophobicContact CD1-CB 4.25Å; F369-I379 HydrophobicContact CD1-CG1 3.67Å; F369-I379 HydrophobicContact CD1-CG2 4.06Å; F369-I379 HydrophobicContact CE1-CB 4.46Å; F369-I379 HydrophobicContact CE1-CG1 4.36Å; F369-I379 HydrophobicContact CE1-CG2 3.95Å; F369-I379 HydrophobicContact CG-CD1 4.46Å; F369-I379 HydrophobicContact CG-CG1 4.08Å; F369-I379 HydrophobicContact CZ-CG2 4.45Å; F369-V382 HydrophobicContact CE1-CG2 3.94Å; F369-H383 AromaticContact CE1-NE2 3.96Å; F369-H383 AromaticContact CZ-CE1 3.75Å; F369-H383 AromaticContact CZ-NE2 3.52Å
370	S	92.9	Very high	91.8	Very high	38 Å²	38	41.9 Å²	41.9	27%	0.266	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-18.5	176.6	79.1	0	0	0	0	113.7	N348 K350 E355 H368	N348-S370 PolarHBondContact ND2-OG 2.85Å; K350-S370 PolarHBondContact NZ-O 3.21Å; E355-S370 VanDerWaalsContact CD-OG 3.28Å; E355-S370 VanDerWaalsContact OE1-CB 3.28Å; E355-S370 WeakPolarHBondContact OE1-CB 3.41Å; E355-S370 PolarHBondContact OE1-N 2.89Å; E355-S370 PolarHBondContact OE1-OG 2.8Å; E355-S370 WeakPolarHBondContact OE2-CB 3.48Å; E355-S370 PolarHBondContact OE2-OG 3.48Å; H368-S370 VanDerWaalsContact C-N 3.3Å; H368-S370 PolarHBondContact O-N 3.44Å
371	C	93.1	Very high	91.7	Very high	8 Å²	8	41.9 Å²	41.9	5%	0.054	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-42.6	165.8	-78.3	0	0	0	0	110.9	F340 H368 Q373	F340-C371 HydrophobicContact CB-CB 3.92Å; F340-C371 HydrophobicContact CD2-CB 4.04Å; F340-C371 HydrophobicContact CG-CB 4.17Å; H368-C371 HydrophobicContact CB-CB 4.04Å; H368-C371 WeakPolarHBondContact O-CB 3.48Å; H368-C371 PolarHBondContact O-N 3.31Å; H368-C371 VanDerWaalsContact O-N 3.11Å; C371-Q373 VanDerWaalsContact C-N 3.28Å; C371-Q373 PolarHBondContact O-N 2.93Å
372	L	92	Very high	91.7	Very high	43 Å²	43	40.7 Å²	40.7	23%	0.225	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-8.3	173.2	-75.1	169.5	0	0	0	114.6	F340 L358 A367 H368 F369 F374 W387	F340-L372 HydrophobicContact CE2-CD2 3.52Å; F340-L372 HydrophobicContact CE2-CG 3.99Å; F340-L372 HydrophobicContact CZ-CD2 3.7Å; L358-L372 HydrophobicContact CB-CD1 4.28Å; L358-L372 HydrophobicContact CD2-CD1 3.52Å; A367-L372 HydrophobicContact CB-CD1 3.81Å; A367-L372 HydrophobicContact CB-CD2 4.38Å; A367-L372 HydrophobicContact CB-CG 3.76Å; H368-L372 PolarHBondContact O-N 3.18Å; F369-L372 CarbonylContact O-C 3.25Å; F369-L372 PolarHBondContact O-N 3.46Å; L372-F374 VanDerWaalsContact C-N 3.32Å; L372-F374 HydrophobicContact CB-CD1 3.56Å; L372-F374 HydrophobicContact CB-CE1 3.71Å; L372-F374 HydrophobicContact CB-CG 4.14Å; L372-F374 HydrophobicContact CB-CZ 4.39Å; L372-F374 HydrophobicContact CD1-CE1 4.15Å; L372-F374 HydrophobicContact CD1-CE2 4.31Å; L372-F374 HydrophobicContact CD1-CZ 4.01Å; L372-F374 HydrophobicContact CG-CE1 4.37Å; L372-F374 PolarHBondContact O-N 3.46Å; L372-W387 HydrophobicContact CD1-CH2 4.06Å; L372-W387 HydrophobicContact CD1-CZ2 4.07Å
373	Q	91.2	Very high	91.7	Very high	162 Å²	162	42 Å²	42	76%	0.757	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.3	33.2	-178.1	-49.9	-179.7	57.4	0	0	113.9	F369 C371	F369-Q373 PolarHBondContact O-N 2.9Å; C371-Q373 VanDerWaalsContact C-N 3.28Å; C371-Q373 PolarHBondContact O-N 2.93Å
374	F	92.3	Very high	91.5	Very high	33 Å²	33	41.4 Å²	41.4	15%	0.145	23%	0.23	C	C	.	.			trans	-70.6	138.6	-176.7	-83.3	16	0	0	0	113.3	L358 F369 L372 M378 I379 V382 W387 D414	L358-F374 HydrophobicContact CD2-CD2 4.05Å; L358-F374 HydrophobicContact CD2-CE2 3.31Å; L358-F374 HydrophobicContact CD2-CZ 3.89Å; F369-F374 HydrophobicContact CB-CB 4.42Å; F369-F374 HydrophobicContact CD1-CD2 4.16Å; F369-F374 PolarHBondContact O-N 3.35Å; L372-F374 VanDerWaalsContact C-N 3.32Å; L372-F374 HydrophobicContact CB-CD1 3.56Å; L372-F374 HydrophobicContact CB-CE1 3.71Å; L372-F374 HydrophobicContact CB-CG 4.14Å; L372-F374 HydrophobicContact CB-CZ 4.39Å; L372-F374 HydrophobicContact CD1-CE1 4.15Å; L372-F374 HydrophobicContact CD1-CE2 4.31Å; L372-F374 HydrophobicContact CD1-CZ 4.01Å; L372-F374 HydrophobicContact CG-CE1 4.37Å; L372-F374 PolarHBondContact O-N 3.46Å; F374-M378 HydrophobicContact CB-CB 4.01Å; F374-M378 HydrophobicContact CB-CG 3.87Å; F374-M378 HydrophobicContact CD1-CG 3.9Å; F374-M378 HydrophobicContact CD2-CB 4.2Å; F374-M378 HydrophobicContact CD2-CG 3.32Å; F374-M378 HydrophobicContact CE1-CG 4.2Å; F374-M378 HydrophobicContact CE2-CG 3.65Å; F374-M378 HydrophobicContact CG-CB 4.15Å; F374-M378 HydrophobicContact CG-CG 3.45Å; F374-M378 VanDerWaalsContact CG-CG 3.45Å; F374-M378 HydrophobicContact CZ-CG 4.08Å; F374-I379 HydrophobicContact CB-CG1 4Å; F374-V382 HydrophobicContact CD2-CG2 4.27Å; F374-V382 HydrophobicContact CE2-CG1 4Å; F374-V382 HydrophobicContact CE2-CG2 4.15Å; F374-W387 HydrophobicContact CZ-CZ2 4.23Å; F374-W387 AromaticContact CZ-NE1 3.79Å; F374-D414 HydrophobicContact CZ-CB 4.15Å
375	T	90.9	Very high	91.6	Very high	60 Å²	60	40 Å²	40	37%	0.368	21%	0.214	S	C	.	.			trans	-73	161.8	174.7	71.1	0	0	0	0	111.7	N377 M378 I379	T375-N377 VanDerWaalsContact C-N 3.27Å; T375-N377 PolarHBondContact O-N 3.18Å; T375-M378 WeakPolarHBondContact O-CA 3.45Å; T375-M378 VanDerWaalsContact O-CB 3.26Å; T375-M378 WeakPolarHBondContact O-CB 3.34Å; T375-M378 PolarHBondContact O-N 3.37Å; T375-M378 VanDerWaalsContact O-N 3.07Å; T375-M378 VanDerWaalsContact OG1-CB 3.3Å; T375-M378 WeakPolarHBondContact OG1-CB 3.35Å; T375-M378 PolarHBondContact OG1-N 2.59Å; T375-M378 VanDerWaalsContact OG1-N 3.09Å; T375-I379 WeakPolarHBondContact O-CG1 3.49Å; T375-I379 PolarHBondContact O-N 3.19Å
376	P	90.2	Very high	91.6	Very high	100 Å²	100	40.5 Å²	40.5	65%	0.649	22%	0.215	S	C	*	.	H	α-helix	trans	-58.1	-36.3	175.7	-26.3	36.2	0	0	0	113.7	T380	P376-T380 WeakPolarHBondContact O-CB 3.25Å; P376-T380 PolarHBondContact O-N 2.98Å; P376-T380 PolarHBondContact O-OG1 3.23Å
377	N	90.9	Very high	91.7	Very high	39 Å²	39	39.5 Å²	39.5	21%	0.209	21%	0.211	C	C	.	.	H	α-helix	trans	-62.9	-48.4	172.4	-66.1	-2.5	0	0	0	110.7	T375 I379 T380 S381 D412 F443 S446	T375-N377 VanDerWaalsContact C-N 3.27Å; T375-N377 PolarHBondContact O-N 3.18Å; N377-I379 PolarHBondContact O-N 3.24Å; N377-T380 PolarHBondContact O-N 3.18Å; N377-S381 WeakPolarHBondContact O-CB 3.19Å; N377-S381 PolarHBondContact O-N 2.87Å; N377-S381 PolarHBondContact O-OG 3.39Å; N377-D412 CarbonylContact C-O 3.55Å; N377-D412 HydrophobicContact CB-CB 4.28Å; N377-D412 WeakPolarHBondContact CB-OD1 3.32Å; N377-D412 PolarHBondContact ND2-OD1 3.49Å; N377-F443 HydrophobicContact CB-CE1 4.38Å; N377-F443 HydrophobicContact CB-CE2 4.24Å; N377-F443 HydrophobicContact CB-CZ 4.1Å; N377-S446 PolarHBondContact ND2-O 3.19Å
378	M	93.1	Very high	91.7	Very high	18 Å²	18	40.2 Å²	40.2	9%	0.089	21%	0.214	C	C	.	.	H	α-helix	trans	-54.3	-53.2	177.6	-166	76.3	91.3	0	0	111.4	F374 T375 T380 S381 V382 D411 D412 C413 D414	F374-M378 HydrophobicContact CB-CB 4.01Å; F374-M378 HydrophobicContact CB-CG 3.87Å; F374-M378 HydrophobicContact CD1-CG 3.9Å; F374-M378 HydrophobicContact CD2-CB 4.2Å; F374-M378 HydrophobicContact CD2-CG 3.32Å; F374-M378 HydrophobicContact CE1-CG 4.2Å; F374-M378 HydrophobicContact CE2-CG 3.65Å; F374-M378 HydrophobicContact CG-CB 4.15Å; F374-M378 HydrophobicContact CG-CG 3.45Å; F374-M378 VanDerWaalsContact CG-CG 3.45Å; F374-M378 HydrophobicContact CZ-CG 4.08Å; T375-M378 WeakPolarHBondContact O-CA 3.45Å; T375-M378 VanDerWaalsContact O-CB 3.26Å; T375-M378 WeakPolarHBondContact O-CB 3.34Å; T375-M378 PolarHBondContact O-N 3.37Å; T375-M378 VanDerWaalsContact O-N 3.07Å; T375-M378 VanDerWaalsContact OG1-CB 3.3Å; T375-M378 WeakPolarHBondContact OG1-CB 3.35Å; T375-M378 PolarHBondContact OG1-N 2.59Å; T375-M378 VanDerWaalsContact OG1-N 3.09Å; M378-T380 PolarHBondContact O-N 3.17Å; M378-S381 WeakPolarHBondContact O-CB 3.49Å; M378-S381 PolarHBondContact O-N 3.43Å; M378-S381 VanDerWaalsContact O-N 3.14Å; M378-V382 HydrophobicContact CG-CG1 4.46Å; M378-V382 WeakPolarHBondContact O-CG1 3.41Å; M378-V382 WeakPolarHBondContact O-CG2 3.01Å; M378-V382 PolarHBondContact O-N 3.29Å; M378-D411 WeakPolarHBondContact CE-O 3.46Å; M378-D412 WeakPolarHBondContact CA-O 3.41Å; M378-D412 PolarHBondContact N-O 3.26Å; M378-C413 WeakPolarHBondContact SD-CA 3.23Å; M378-C413 PolarHBondContact SD-N 3.26Å; M378-D414 HydrophobicContact CE-CB 3.98Å; M378-D414 HydrophobicContact SD-CB 3.5Å; M378-D414 VanDerWaalsContact SD-CB 3.5Å; M378-D414 PolarHBondContact SD-N 2.88Å
379	I	92.2	Very high	91.8	Very high	54 Å²	54	40.9 Å²	40.9	28%	0.277	22%	0.218	S	C	.	.	H	α-helix	trans	-53.8	-54	177.1	-62.5	167.6	0	0	0	109.7	F369 F374 T375 N377 S381 V382 H383	F369-I379 HydrophobicContact CB-CD1 4.08Å; F369-I379 HydrophobicContact CB-CG1 4.04Å; F369-I379 HydrophobicContact CD1-CB 4.25Å; F369-I379 HydrophobicContact CD1-CG1 3.67Å; F369-I379 HydrophobicContact CD1-CG2 4.06Å; F369-I379 HydrophobicContact CE1-CB 4.46Å; F369-I379 HydrophobicContact CE1-CG1 4.36Å; F369-I379 HydrophobicContact CE1-CG2 3.95Å; F369-I379 HydrophobicContact CG-CD1 4.46Å; F369-I379 HydrophobicContact CG-CG1 4.08Å; F369-I379 HydrophobicContact CZ-CG2 4.45Å; F374-I379 HydrophobicContact CB-CG1 4Å; T375-I379 WeakPolarHBondContact O-CG1 3.49Å; T375-I379 PolarHBondContact O-N 3.19Å; N377-I379 PolarHBondContact O-N 3.24Å; I379-S381 PolarHBondContact O-N 2.95Å; I379-V382 WeakPolarHBondContact O-CG2 3.41Å; I379-V382 PolarHBondContact O-N 2.91Å; I379-H383 PolarHBondContact O-CD2 3.47Å
380	T	90.9	Very high	91.7	Very high	74 Å²	74	46 Å²	46	45%	0.454	25%	0.245	S	C	.	.	H	α-helix	trans	-58.9	-32.5	-179.4	-55.2	0	0	0	0	113.1	P376 N377 M378	P376-T380 WeakPolarHBondContact O-CB 3.25Å; P376-T380 PolarHBondContact O-N 2.98Å; P376-T380 PolarHBondContact O-OG1 3.23Å; N377-T380 PolarHBondContact O-N 3.18Å; M378-T380 PolarHBondContact O-N 3.17Å
381	S	92.2	Very high	91.7	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.007	26%	0.257	C	S	.	.	H	α-helix	trans	-77.3	-44.1	177.3	-72.3	0	0	0	0	113.7	N377 M378 I379 H383 T384 Y385 D412 F443	N377-S381 WeakPolarHBondContact O-CB 3.19Å; N377-S381 PolarHBondContact O-N 2.87Å; N377-S381 PolarHBondContact O-OG 3.39Å; M378-S381 WeakPolarHBondContact O-CB 3.49Å; M378-S381 PolarHBondContact O-N 3.43Å; M378-S381 VanDerWaalsContact O-N 3.14Å; I379-S381 PolarHBondContact O-N 2.95Å; S381-H383 PolarHBondContact O-N 3.31Å; S381-T384 PolarHBondContact O-N 2.9Å; S381-T384 PolarHBondContact O-OG1 3.4Å; S381-Y385 WeakPolarHBondContact O-CD1 3.44Å; S381-D412 WeakPolarHBondContact CB-O 3.47Å; S381-D412 PolarHBondContact OG-O 3.5Å; S381-F443 WeakPolarHBondContact OG-CE2 3.35Å; S381-F443 WeakPolarHBondContact OG-CZ 3.44Å
382	V	91.3	Very high	91.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-75.1	-8.4	-170.5	-62.1	0	0	0	0	114.6	L358 F369 F374 M378 I379 Y385 W387 C413	L358-V382 HydrophobicContact CD1-CB 4Å; L358-V382 HydrophobicContact CD1-CG2 3.38Å; L358-V382 HydrophobicContact CD2-CG2 4.37Å; F369-V382 HydrophobicContact CE1-CG2 3.94Å; F374-V382 HydrophobicContact CD2-CG2 4.27Å; F374-V382 HydrophobicContact CE2-CG1 4Å; F374-V382 HydrophobicContact CE2-CG2 4.15Å; M378-V382 HydrophobicContact CG-CG1 4.46Å; M378-V382 WeakPolarHBondContact O-CG1 3.41Å; M378-V382 WeakPolarHBondContact O-CG2 3.01Å; M378-V382 PolarHBondContact O-N 3.29Å; I379-V382 WeakPolarHBondContact O-CG2 3.41Å; I379-V382 PolarHBondContact O-N 2.91Å; V382-Y385 HydrophobicContact CB-CE1 4.41Å; V382-Y385 HydrophobicContact CG1-CE1 4.09Å; V382-W387 HydrophobicContact CB-CB 4.15Å; V382-W387 HydrophobicContact CB-CG 4.23Å; V382-W387 HydrophobicContact CG1-CG 4.23Å; V382-C413 WeakPolarHBondContact CG1-O 3.34Å
383	H	88	Confident	91.9	Very high	74 Å²	74	49 Å²	49	34%	0.343	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-23.2	165.2	-69.5	-80.4	0	0	0	113.3	D356 F369 I379 S381	D356-H383 IonicContact OD2-CE1 3.21Å; D356-H383 PolarHBondContact OD2-CE1 3.11Å; F369-H383 AromaticContact CE1-NE2 3.96Å; F369-H383 AromaticContact CZ-CE1 3.75Å; F369-H383 AromaticContact CZ-NE2 3.52Å; I379-H383 PolarHBondContact O-CD2 3.47Å; S381-H383 PolarHBondContact O-N 3.31Å
384	T	88.7	Confident	92.1	Very high	37 Å²	37	41.9 Å²	41.9	23%	0.227	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	10.4	-172.5	83.5	0	0	0	0	114.6	E217 S381 R442	E217-T384 CarbonylContact C-O 3.3Å; E217-T384 WeakPolarHBondContact CA-O 3.39Å; S381-T384 PolarHBondContact O-N 2.9Å; S381-T384 PolarHBondContact O-OG1 3.4Å; T384-R442 PolarHBondContact OG1-NH1 3.45Å
385	Y	90.4	Very high	92.3	Very high	8 Å²	8	40.3 Å²	40.3	3%	0.031	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-158.6	172.8	174.6	79.3	-77.8	0	0	0	111.9	T218 S381 V382 W387 W396 C413 D414 R415	T218-Y385 WeakPolarHBondContact O-CA 3.35Å; S381-Y385 WeakPolarHBondContact O-CD1 3.44Å; V382-Y385 HydrophobicContact CB-CE1 4.41Å; V382-Y385 HydrophobicContact CG1-CE1 4.09Å; Y385-W387 PolarHBondContact O-N 2.92Å; Y385-W396 HydrophobicContact CD2-CH2 4.13Å; Y385-W396 AromaticContact CD2-CZ3 3.65Å; Y385-W396 HydrophobicContact CD2-CZ3 3.65Å; Y385-W396 HydrophobicContact CE2-CZ3 4.07Å; Y385-W396 HydrophobicContact CG-CZ3 4.42Å; Y385-C413 PolarHBondContact OH-O 2.79Å; Y385-D414 PolarHBondContact OH-O 3.37Å; Y385-R415 HydrophobicContact CE1-CG 4.25Å; Y385-R415 HydrophobicContact CE2-CG 3.91Å
386	R	91	Very high	92.4	Very high	56 Å²	56	39 Å²	39	21%	0.211	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	87.6	168.5	-79.9	-174.1	98.4	105.1	-10.8	111.6	E195 S361	E195-R386 IonicContact OE1-CZ 3.86Å; E195-R386 IonicContact OE1-NH1 2.73Å; E195-R386 PolarHBondContact OE1-NH1 3Å; E195-R386 IonicContact OE1-NH2 3.66Å; E195-R386 PolarHBondContact OE1-NH2 2.86Å; E195-R386 IonicContact OE2-CZ 2.73Å; E195-R386 IonicContact OE2-NH1 2.71Å; E195-R386 PolarHBondContact OE2-NH1 3.47Å; E195-R386 IonicContact OE2-NH2 3.34Å; S361-R386 PolarHBondContact O-NH2 3.45Å; S361-R386 WeakPolarHBondContact OG-CA 3.45Å; S361-R386 WeakPolarHBondContact OG-CB 3.5Å
387	W	94.1	Very high	92.6	Very high	8 Å²	8	37.7 Å²	37.7	3%	0.03	19%	0.192	C	C	.	.			trans	-60.4	140.2	170.7	177.7	80.6	0	0	0	112.5	L358 C360 S361 L372 F374 V382 Y385 C389 D414	L358-W387 HydrophobicContact CB-CZ3 4.46Å; L358-W387 HydrophobicContact CD1-CD2 4.39Å; L358-W387 HydrophobicContact CD1-CE3 4.46Å; L358-W387 HydrophobicContact CD1-CG 4.46Å; L358-W387 HydrophobicContact CD2-CD2 3.41Å; L358-W387 VanDerWaalsContact CD2-CD2 3.41Å; L358-W387 HydrophobicContact CD2-CE3 3.63Å; L358-W387 HydrophobicContact CD2-CG 4.01Å; L358-W387 HydrophobicContact CD2-CH2 3.68Å; L358-W387 HydrophobicContact CD2-CZ2 3.49Å; L358-W387 VanDerWaalsContact CD2-CZ2 3.49Å; L358-W387 HydrophobicContact CD2-CZ3 3.75Å; L358-W387 HydrophobicContact CG-CD2 3.76Å; L358-W387 HydrophobicContact CG-CE3 3.56Å; L358-W387 HydrophobicContact CG-CG 4.31Å; L358-W387 HydrophobicContact CG-CH2 4.24Å; L358-W387 HydrophobicContact CG-CZ2 4.43Å; L358-W387 HydrophobicContact CG-CZ3 3.81Å; C360-W387 HydrophobicContact CB-CE3 4.24Å; C360-W387 HydrophobicContact CB-CZ3 3.82Å; S361-W387 VanDerWaalsContact CB-O 3.32Å; S361-W387 WeakPolarHBondContact CB-O 3.41Å; S361-W387 PolarHBondContact N-O 3.35Å; S361-W387 PolarHBondContact OG-N 3.12Å; S361-W387 PolarHBondContact OG-O 2.87Å; L372-W387 HydrophobicContact CD1-CH2 4.06Å; L372-W387 HydrophobicContact CD1-CZ2 4.07Å; F374-W387 HydrophobicContact CZ-CZ2 4.23Å; F374-W387 AromaticContact CZ-NE1 3.79Å; V382-W387 HydrophobicContact CB-CB 4.15Å; V382-W387 HydrophobicContact CB-CG 4.23Å; V382-W387 HydrophobicContact CG1-CG 4.23Å; Y385-W387 PolarHBondContact O-N 2.92Å; W387-C389 HydrophobicContact CH2-CB 3.55Å; W387-C389 HydrophobicContact CZ2-CB 4.1Å; W387-C389 HydrophobicContact CZ3-CB 4.04Å; W387-D414 PolarHBondContact NE1-OD2 3.44Å
388	Q	94.2	Very high	92.8	Very high	20 Å²	20	37.6 Å²	37.6	9%	0.093	19%	0.194	C	C	.	.			trans	-119.1	132.5	176.1	-67	174.4	-44.1	0	0	109.4	N208 D362 C392 K393 T394	N208-Q388 PolarHBondContact ND2-NE2 2.91Å; D362-Q388 PolarHBondContact OD2-NE2 3.27Å; Q388-C392 PolarHBondContact NE2-O 2.87Å; Q388-C392 PolarHBondContact OE1-O 3.41Å; Q388-K393 PolarHBondContact O-NZ 3.05Å; Q388-T394 PolarHBondContact NE2-OG1 3.42Å; Q388-T394 PolarHBondContact OE1-OG1 3.33Å
389	C	94.4	Very high	92.8	Very high	14 Å²	14	36.8 Å²	36.8	10%	0.095	19%	0.19	C	C	.	.			trans	-65.9	163.5	169.6	67.9	0	0	0	0	111.6	C360 C363 W387 E391 C392 K393	C360-C389 HydrophobicContact CB-CB 4Å; C360-C389 PolarHBondContact SG-N 2.62Å; C360-C389 PolarHBondContact SG-SG 2.84Å; C363-C389 PolarHBondContact SG-SG 3.06Å; W387-C389 HydrophobicContact CH2-CB 3.55Å; W387-C389 HydrophobicContact CZ2-CB 4.1Å; W387-C389 HydrophobicContact CZ3-CB 4.04Å; C389-E391 VanDerWaalsContact C-N 3.32Å; C389-E391 PolarHBondContact O-N 2.98Å; C389-C392 CarbonylContact O-C 3.45Å; C389-C392 WeakPolarHBondContact O-CA 3.47Å; C389-C392 PolarHBondContact O-N 3.46Å; C389-K393 PolarHBondContact O-N 3.41Å; C389-K393 VanDerWaalsContact O-N 3.1Å
390	I	92.6	Very high	92.8	Very high	119 Å²	119	35.5 Å²	35.5	61%	0.61	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-48.1	-47.9	-179	-166.8	168.5	0	0	0	113.6	C392 K393 F409	I390-C392 PolarHBondContact O-N 2.95Å; I390-K393 WeakPolarHBondContact O-CB 3.46Å; I390-K393 PolarHBondContact O-N 3.15Å; I390-K393 VanDerWaalsContact O-N 3.12Å; I390-F409 HydrophobicContact CD1-CE2 4.13Å; I390-F409 HydrophobicContact CG1-CE2 4.13Å; I390-F409 HydrophobicContact CG1-CZ 4.29Å
391	E	92.7	Very high	92.9	Very high	113 Å²	113	35.7 Å²	35.7	53%	0.528	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-62.3	-10.4	177.3	-64.5	-72.4	136.6	0	0	115.4	R44 C389	R44-E391 IonicContact NH2-OE2 2.72Å; C389-E391 VanDerWaalsContact C-N 3.32Å; C389-E391 PolarHBondContact O-N 2.98Å
392	C	94.3	Very high	92.8	Very high	30 Å²	30	40.5 Å²	40.5	20%	0.203	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-128.7	14.2	-179.2	-58.6	0	0	0	0	111.7	D362 Q388 C389 I390 T394	D362-C392 HydrophobicContact CB-CB 3.93Å; Q388-C392 PolarHBondContact NE2-O 2.87Å; Q388-C392 PolarHBondContact OE1-O 3.41Å; C389-C392 CarbonylContact O-C 3.45Å; C389-C392 WeakPolarHBondContact O-CA 3.47Å; C389-C392 PolarHBondContact O-N 3.46Å; I390-C392 PolarHBondContact O-N 2.95Å; C392-T394 PolarHBondContact O-N 3.17Å
393	K	94.7	Very high	92.9	Very high	9 Å²	9	44.6 Å²	44.6	4%	0.039	23%	0.233	C	C	.	.			trans	-65.7	128.2	-177.4	-162.5	75	69	-171.3	0	109.9	Q388 C389 I390 S401 M407 F409 D414	Q388-K393 PolarHBondContact O-NZ 3.05Å; C389-K393 PolarHBondContact O-N 3.41Å; C389-K393 VanDerWaalsContact O-N 3.1Å; I390-K393 WeakPolarHBondContact O-CB 3.46Å; I390-K393 PolarHBondContact O-N 3.15Å; I390-K393 VanDerWaalsContact O-N 3.12Å; K393-S401 WeakPolarHBondContact O-CB 3.45Å; K393-M407 HydrophobicContact CB-SD 4.37Å; K393-M407 HydrophobicContact CG-SD 3.72Å; K393-F409 HydrophobicContact CB-CE1 4.46Å; K393-F409 HydrophobicContact CD-CE1 4.5Å; K393-F409 HydrophobicContact CG-CD1 4.2Å; K393-F409 HydrophobicContact CG-CE1 3.78Å; K393-F409 HydrophobicContact CG-CZ 4.4Å; K393-D414 VanDerWaalsContact CE-OD1 3.31Å; K393-D414 WeakPolarHBondContact CE-OD1 3.38Å; K393-D414 PolarHBondContact NZ-O 2.87Å; K393-D414 IonicContact NZ-OD1 3.3Å; K393-D414 PolarHBondContact NZ-OD1 2.78Å; K393-D414 IonicContact NZ-OD2 3.81Å; K393-D414 PolarHBondContact NZ-OD2 2.81Å
394	T	95.2	Very high	93.1	Very high	13 Å²	13	46.5 Å²	46.5	8%	0.08	25%	0.246	C	C	.	.			trans	-118.6	144.5	168.2	49	0	0	0	0	110.2	N208 Q388 C392 W396 G399 T400	N208-T394 WeakPolarHBondContact ND2-CG2 3.37Å; N208-T394 PolarHBondContact ND2-OG1 3.43Å; Q388-T394 PolarHBondContact NE2-OG1 3.42Å; Q388-T394 PolarHBondContact OE1-OG1 3.33Å; C392-T394 PolarHBondContact O-N 3.17Å; T394-W396 PolarHBondContact O-N 2.84Å; T394-G399 WeakPolarHBondContact CB-O 3.45Å; T394-G399 VanDerWaalsContact CG2-O 3.29Å; T394-G399 WeakPolarHBondContact CG2-O 3.19Å; T394-T400 CarbonylContact C-O 3.55Å; T394-T400 WeakPolarHBondContact CA-O 3.36Å
395	C	96.3	Very high	93.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-61.9	128.8	175	166.5	0	0	0	0	109.8	L397 C398 G399 T400 M407 G416 H418	C395-L397 PolarHBondContact O-N 3.06Å; C395-L397 VanDerWaalsContact O-N 3.13Å; C395-C398 WeakPolarHBondContact CB-SG 3.36Å; C395-C398 PolarHBondContact O-N 2.95Å; C395-G399 WeakPolarHBondContact O-CA 3.5Å; C395-G399 PolarHBondContact O-N 3.34Å; C395-T400 PolarHBondContact N-O 3.18Å; C395-M407 HydrophobicContact CB-CE 4.18Å; C395-M407 HydrophobicContact CB-SD 4.41Å; C395-G416 CarbonylContact C-O 3.47Å; C395-G416 WeakPolarHBondContact CA-O 3.45Å; C395-H418 WeakPolarHBondContact CB-CE1 3.18Å; C395-H418 WeakPolarHBondContact CB-ND1 3.49Å; C395-H418 PolarHBondContact SG-N 3.27Å; C395-H418 PolarHBondContact SG-ND1 2.95Å; C395-H418 VanDerWaalsContact SG-ND1 3.38Å
396	W	93.8	Very high	93.4	Very high	31 Å²	31	57.5 Å²	57.5	12%	0.117	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-31.4	-174.2	-171.4	-96.8	0	0	0	112.7	N212 Y385 T394 R415 G416 Y417	N212-W396 HydrophobicContact CB-CD2 3.89Å; N212-W396 HydrophobicContact CB-CE3 4.08Å; N212-W396 HydrophobicContact CB-CG 4.41Å; N212-W396 HydrophobicContact CB-CH2 4.24Å; N212-W396 HydrophobicContact CB-CZ2 4.06Å; N212-W396 HydrophobicContact CB-CZ3 4.25Å; N212-W396 WeakPolarHBondContact CB-O 3.31Å; N212-W396 WeakPolarHBondContact ND2-CA 3.29Å; N212-W396 PolarHBondContact ND2-O 2.88Å; N212-W396 WeakPolarHBondContact O-CZ2 3.43Å; N212-W396 WeakPolarHBondContact OD1-CZ3 3.42Å; Y385-W396 HydrophobicContact CD2-CH2 4.13Å; Y385-W396 AromaticContact CD2-CZ3 3.65Å; Y385-W396 HydrophobicContact CD2-CZ3 3.65Å; Y385-W396 HydrophobicContact CE2-CZ3 4.07Å; Y385-W396 HydrophobicContact CG-CZ3 4.42Å; T394-W396 PolarHBondContact O-N 2.84Å; W396-R415 HydrophobicContact CD2-CG 4.33Å; W396-R415 HydrophobicContact CE3-CG 3.84Å; W396-R415 HydrophobicContact CZ3-CG 4.23Å; W396-G416 PolarHBondContact N-O 2.76Å; W396-Y417 HydrophobicContact CB-CD1 4.16Å; W396-Y417 HydrophobicContact CB-CE1 3.63Å; W396-Y417 HydrophobicContact CB-CE2 4.44Å; W396-Y417 HydrophobicContact CG-CE1 4.12Å
397	L	94.4	Very high	93.6	Very high	73 Å²	73	55.6 Å²	55.6	38%	0.382	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-25.2	-170.5	-60.8	176.3	0	0	0	114.8	Y209 C395 Y417 C421 L422	Y209-L397 VanDerWaalsContact CD2-O 3.32Å; Y209-L397 WeakPolarHBondContact CD2-O 3.39Å; Y209-L397 VanDerWaalsContact CE2-O 3.25Å; Y209-L397 WeakPolarHBondContact CE2-O 3.17Å; C395-L397 PolarHBondContact O-N 3.06Å; C395-L397 VanDerWaalsContact O-N 3.13Å; L397-Y417 HydrophobicContact CD1-CD1 3.83Å; L397-Y417 HydrophobicContact CD1-CE1 4.31Å; L397-Y417 HydrophobicContact CD2-CE1 4.36Å; L397-Y417 HydrophobicContact CG-CD1 3.86Å; L397-Y417 HydrophobicContact CG-CE1 4.04Å; L397-C421 HydrophobicContact CB-CB 4.15Å; L397-C421 HydrophobicContact CD1-CB 4.12Å; L397-C421 WeakPolarHBondContact CD1-O 3.34Å; L397-L422 HydrophobicContact CD1-CD2 4.46Å
398	C	94.3	Very high	93.7	Very high	38 Å²	38	56.3 Å²	56.3	26%	0.257	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-14.2	179.6	63.5	0	0	0	0	113.9	C395 T400 H418	C395-C398 WeakPolarHBondContact CB-SG 3.36Å; C395-C398 PolarHBondContact O-N 2.95Å; C398-T400 VanDerWaalsContact C-N 3.27Å; C398-T400 PolarHBondContact O-N 3.2Å; C398-T400 PolarHBondContact SG-OG1 3.05Å; C398-H418 PolarHBondContact SG-ND1 3.4Å; C398-H418 VanDerWaalsContact SG-ND1 3.35Å
399	G	92.5	Very high	93.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.305	C	S	.	.			trans	76.4	1.7	179.7	0	0	0	0	0	115.5	A205 T394 C395	A205-G399 VanDerWaalsContact CA-O 3.28Å; A205-G399 WeakPolarHBondContact CA-O 3.38Å; A205-G399 WeakPolarHBondContact CB-O 3.49Å; T394-G399 WeakPolarHBondContact CB-O 3.45Å; T394-G399 VanDerWaalsContact CG2-O 3.29Å; T394-G399 WeakPolarHBondContact CG2-O 3.19Å; C395-G399 WeakPolarHBondContact O-CA 3.5Å; C395-G399 PolarHBondContact O-N 3.34Å
400	T	92.7	Very high	93.8	Very high	28 Å²	28	58.5 Å²	58.5	17%	0.172	30%	0.301	C	S	.	.			trans	-95.1	159.9	180	61.1	0	0	0	0	112.8	A205 T394 C395 C398 E402	A205-T400 HydrophobicContact CB-CG2 3.7Å; T394-T400 CarbonylContact C-O 3.55Å; T394-T400 WeakPolarHBondContact CA-O 3.36Å; C395-T400 PolarHBondContact N-O 3.18Å; C398-T400 VanDerWaalsContact C-N 3.27Å; C398-T400 PolarHBondContact O-N 3.2Å; C398-T400 PolarHBondContact SG-OG1 3.05Å; T400-E402 WeakPolarHBondContact CB-OE1 3.33Å; T400-E402 WeakPolarHBondContact CG2-OE1 3.28Å; T400-E402 PolarHBondContact OG1-OE1 3.24Å
401	S	93.3	Very high	93.9	Very high	77 Å²	77	55.9 Å²	55.9	54%	0.538	29%	0.288	S	S	.	.			trans	-117.4	22.7	172.7	68.4	0	0	0	0	111.9	K393	K393-S401 WeakPolarHBondContact O-CB 3.45Å
402	E	90.9	Very high	94	Very high	102 Å²	102	50.6 Å²	50.6	48%	0.477	26%	0.263	S	S	.	.	S	Bend	trans	-73.4	159.4	169.1	69.5	-148.8	148.9	0	0	109.7	T400 D404 H418	T400-E402 WeakPolarHBondContact CB-OE1 3.33Å; T400-E402 WeakPolarHBondContact CG2-OE1 3.28Å; T400-E402 PolarHBondContact OG1-OE1 3.24Å; E402-D404 VanDerWaalsContact C-N 3.28Å; E402-D404 PolarHBondContact O-N 2.9Å; E402-H418 PolarHBondContact O-NE2 2.76Å
403	N	92	Very high	94	Very high	87 Å²	87	49.2 Å²	49.2	47%	0.465	25%	0.254	S	S	.	.			trans	47.9	47.6	176	-49.3	-33.8	0	0	0	113.4	E405 Q406 Y420	N403-E405 PolarHBondContact O-N 3.15Å; N403-Q406 PolarHBondContact O-N 2.99Å; N403-Y420 HydrophobicContact CB-CE1 4.14Å; N403-Y420 PolarHBondContact ND2-OH 3.41Å
404	D	92.9	Very high	94	Very high	114 Å²	114	49.6 Å²	49.6	61%	0.61	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-60	-31.2	178	54.8	-18.6	0	0	0	112.5	E402 Q406 M407	E402-D404 VanDerWaalsContact C-N 3.28Å; E402-D404 PolarHBondContact O-N 2.9Å; D404-Q406 PolarHBondContact O-N 2.81Å; D404-M407 WeakPolarHBondContact O-CB 3.42Å; D404-M407 PolarHBondContact O-N 2.78Å
405	E	92.8	Very high	94	Very high	186 Å²	186	49.8 Å²	49.8	87%	0.869	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-52	-23.3	167.3	-61.8	-178	176	0	0	114.4	N403	N403-E405 PolarHBondContact O-N 3.15Å
406	Q	93.1	Very high	94	Very high	90 Å²	90	49.8 Å²	49.8	42%	0.421	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-114.1	18.2	179	-59.8	-178.5	15.3	0	0	112.6	N403 D404 H418 M419 Y420	N403-Q406 PolarHBondContact O-N 2.99Å; D404-Q406 PolarHBondContact O-N 2.81Å; Q406-H418 WeakPolarHBondContact O-CA 3.34Å; Q406-M419 HydrophobicContact CB-SD 4.35Å; Q406-M419 WeakPolarHBondContact O-CG 3.49Å; Q406-M419 PolarHBondContact O-N 3.22Å; Q406-Y420 HydrophobicContact CB-CE1 4.43Å
407	M	94.7	Very high	94.1	Very high	15 Å²	15	48.8 Å²	48.8	7%	0.074	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	108.8	178.3	-163.6	-173.1	-55.3	0	0	111.2	K393 C395 D404 F409 Y417	K393-M407 HydrophobicContact CB-SD 4.37Å; K393-M407 HydrophobicContact CG-SD 3.72Å; C395-M407 HydrophobicContact CB-CE 4.18Å; C395-M407 HydrophobicContact CB-SD 4.41Å; D404-M407 WeakPolarHBondContact O-CB 3.42Å; D404-M407 PolarHBondContact O-N 2.78Å; M407-F409 HydrophobicContact CB-CE1 4.35Å; M407-F409 HydrophobicContact CG-CD1 4.47Å; M407-F409 HydrophobicContact CG-CE1 4.15Å; M407-F409 HydrophobicContact SD-CE1 4.04Å; M407-Y417 CarbonylContact C-O 3.44Å; M407-Y417 WeakPolarHBondContact CA-O 3.18Å
408	L	95.2	Very high	94.3	Very high	23 Å²	23	45.3 Å²	45.3	12%	0.12	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	140.2	171.6	-55.8	-179.7	0	0	0	110.2	G416 Y417 M419 L422 L426 P429 P430 W434	L408-G416 CarbonylContact O-C 3.11Å; L408-G416 VanDerWaalsContact O-CA 3.3Å; L408-G416 WeakPolarHBondContact O-CA 3.31Å; L408-Y417 PolarHBondContact N-O 3.45Å; L408-Y417 PolarHBondContact O-N 3.01Å; L408-M419 HydrophobicContact CD1-CG 3.96Å; L408-M419 HydrophobicContact CD2-CG 4.02Å; L408-M419 HydrophobicContact CD2-SD 4.21Å; L408-M419 HydrophobicContact CG-CG 3.71Å; L408-L422 HydrophobicContact CD1-CD1 4.22Å; L408-L426 HydrophobicContact CD1-CD1 4.01Å; L408-P429 HydrophobicContact CD2-CB 3.91Å; L408-P430 HydrophobicContact CD1-CG 4.06Å; L408-W434 HydrophobicContact CB-CE3 3.99Å; L408-W434 HydrophobicContact CB-CH2 4.47Å; L408-W434 HydrophobicContact CB-CZ3 3.9Å; L408-W434 HydrophobicContact CD1-CD2 4.33Å; L408-W434 HydrophobicContact CD1-CE3 4.47Å
409	F	95.7	Very high	94.3	Very high	80 Å²	80	44.2 Å²	44.2	35%	0.351	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	141.2	169.1	-51.9	-24.1	0	0	0	109.1	I390 K393 M407	I390-F409 HydrophobicContact CD1-CE2 4.13Å; I390-F409 HydrophobicContact CG1-CE2 4.13Å; I390-F409 HydrophobicContact CG1-CZ 4.29Å; K393-F409 HydrophobicContact CB-CE1 4.46Å; K393-F409 HydrophobicContact CD-CE1 4.5Å; K393-F409 HydrophobicContact CG-CD1 4.2Å; K393-F409 HydrophobicContact CG-CE1 3.78Å; K393-F409 HydrophobicContact CG-CZ 4.4Å; M407-F409 HydrophobicContact CB-CE1 4.35Å; M407-F409 HydrophobicContact CG-CD1 4.47Å; M407-F409 HydrophobicContact CG-CE1 4.15Å; M407-F409 HydrophobicContact SD-CE1 4.04Å
410	C	95.9	Very high	94.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-84.1	123.3	179.1	171.2	0	0	0	0	111.6	D412 C413 D414 R415 Y417 W434 C436 C439	C410-D412 PolarHBondContact O-N 3.34Å; C410-D412 VanDerWaalsContact O-N 3.12Å; C410-C413 PolarHBondContact O-N 3.32Å; C410-C413 VanDerWaalsContact O-N 3.13Å; C410-D414 PolarHBondContact O-N 3.13Å; C410-R415 PolarHBondContact N-O 3.26Å; C410-R415 VanDerWaalsContact N-O 3.1Å; C410-Y417 HydrophobicContact CB-CE2 4.5Å; C410-W434 WeakPolarHBondContact CA-O 3.46Å; C410-W434 HydrophobicContact CB-CE3 4.32Å; C410-W434 HydrophobicContact CB-CZ3 4.07Å; C410-C436 HydrophobicContact CB-CB 3.93Å; C410-C436 PolarHBondContact SG-N 2.9Å; C410-C439 VanDerWaalsContact SG-SG 3.61Å
411	D	94.3	Very high	94.6	Very high	65 Å²	65	48.5 Å²	48.5	35%	0.348	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-16.6	-176.2	-67.6	-47.8	0	0	0	114.7	M378 S433 W434 A448	M378-D411 WeakPolarHBondContact CE-O 3.46Å; D411-S433 WeakPolarHBondContact OD2-CA 3.47Å; D411-S433 WeakPolarHBondContact OD2-CB 3.19Å; D411-W434 PolarHBondContact N-O 3.21Å; D411-W434 PolarHBondContact OD2-N 3.37Å; D411-A448 HydrophobicContact CB-CB 3.78Å
412	D	94	Very high	94.7	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.011	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-9.7	177.9	-70.3	-51.4	0	0	0	114.2	N377 M378 S381 C410 S435 C439 F443 A447 A448	N377-D412 CarbonylContact C-O 3.55Å; N377-D412 HydrophobicContact CB-CB 4.28Å; N377-D412 WeakPolarHBondContact CB-OD1 3.32Å; N377-D412 PolarHBondContact ND2-OD1 3.49Å; M378-D412 WeakPolarHBondContact CA-O 3.41Å; M378-D412 PolarHBondContact N-O 3.26Å; S381-D412 WeakPolarHBondContact CB-O 3.47Å; S381-D412 PolarHBondContact OG-O 3.5Å; C410-D412 PolarHBondContact O-N 3.34Å; C410-D412 VanDerWaalsContact O-N 3.12Å; D412-S435 VanDerWaalsContact OD2-CB 3.28Å; D412-S435 WeakPolarHBondContact OD2-CB 3.41Å; D412-S435 PolarHBondContact OD2-OG 3.31Å; D412-C439 HydrophobicContact CB-CB 3.59Å; D412-F443 HydrophobicContact CB-CD2 4.07Å; D412-F443 HydrophobicContact CB-CE2 4.01Å; D412-A447 WeakPolarHBondContact OD2-CA 3.26Å; D412-A448 PolarHBondContact OD1-N 3.45Å; D412-A448 PolarHBondContact OD2-N 3.37Å
413	C	94.3	Very high	94.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-154	-3.7	179.9	72.8	0	0	0	0	118.7	M378 V382 Y385 C410 R415 C439	M378-C413 WeakPolarHBondContact SD-CA 3.23Å; M378-C413 PolarHBondContact SD-N 3.26Å; V382-C413 WeakPolarHBondContact CG1-O 3.34Å; Y385-C413 PolarHBondContact OH-O 2.79Å; C410-C413 PolarHBondContact O-N 3.32Å; C410-C413 VanDerWaalsContact O-N 3.13Å; C413-R415 PolarHBondContact O-N 3.26Å; C413-R415 VanDerWaalsContact O-N 3.11Å; C413-R415 PolarHBondContact SG-NH1 3.28Å; C413-R415 VanDerWaalsContact SG-NH1 3.42Å; C413-C439 VanDerWaalsContact CB-SG 3.57Å; C413-C439 PolarHBondContact SG-SG 3.22Å
414	D	95.7	Very high	94.8	Very high	18 Å²	18	49.6 Å²	49.6	10%	0.096	25%	0.252	C	S	.	.			trans	55.5	30.4	178.2	-167.7	27.7	0	0	0	113.8	F374 M378 Y385 W387 K393 C410	F374-D414 HydrophobicContact CZ-CB 4.15Å; M378-D414 HydrophobicContact CE-CB 3.98Å; M378-D414 HydrophobicContact SD-CB 3.5Å; M378-D414 VanDerWaalsContact SD-CB 3.5Å; M378-D414 PolarHBondContact SD-N 2.88Å; Y385-D414 PolarHBondContact OH-O 3.37Å; W387-D414 PolarHBondContact NE1-OD2 3.44Å; K393-D414 VanDerWaalsContact CE-OD1 3.31Å; K393-D414 WeakPolarHBondContact CE-OD1 3.38Å; K393-D414 PolarHBondContact NZ-O 2.87Å; K393-D414 IonicContact NZ-OD1 3.3Å; K393-D414 PolarHBondContact NZ-OD1 2.78Å; K393-D414 IonicContact NZ-OD2 3.81Å; K393-D414 PolarHBondContact NZ-OD2 2.81Å; C410-D414 PolarHBondContact O-N 3.13Å
415	R	94.9	Very high	94.8	Very high	16 Å²	16	48.1 Å²	48.1	6%	0.06	25%	0.249	C	C	.	.			trans	-81.5	133.5	160.7	-71	179.9	177.8	91.1	-5.9	109	Y385 W396 C410 C413 Y417	Y385-R415 HydrophobicContact CE1-CG 4.25Å; Y385-R415 HydrophobicContact CE2-CG 3.91Å; W396-R415 HydrophobicContact CD2-CG 4.33Å; W396-R415 HydrophobicContact CE3-CG 3.84Å; W396-R415 HydrophobicContact CZ3-CG 4.23Å; C410-R415 PolarHBondContact N-O 3.26Å; C410-R415 VanDerWaalsContact N-O 3.1Å; C413-R415 PolarHBondContact O-N 3.26Å; C413-R415 VanDerWaalsContact O-N 3.11Å; C413-R415 PolarHBondContact SG-NH1 3.28Å; C413-R415 VanDerWaalsContact SG-NH1 3.42Å; R415-Y417 HydrophobicContact CB-CD2 4.46Å; R415-Y417 HydrophobicContact CB-CE2 3.57Å; R415-Y417 WeakPolarHBondContact CD-OH 3.34Å; R415-Y417 WeakPolarHBondContact O-CD2 3.32Å
416	G	96	Very high	94.8	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	147.3	175.1	0	0	0	0	0	112.4	C395 W396 L408	C395-G416 CarbonylContact C-O 3.47Å; C395-G416 WeakPolarHBondContact CA-O 3.45Å; W396-G416 PolarHBondContact N-O 2.76Å; L408-G416 CarbonylContact O-C 3.11Å; L408-G416 VanDerWaalsContact O-CA 3.3Å; L408-G416 WeakPolarHBondContact O-CA 3.31Å
417	Y	97.3	Very high	94.8	Very high	10 Å²	10	43.5 Å²	43.5	4%	0.039	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	123.4	176	-63.6	-95.8	0	0	0	109.6	W396 L397 M407 L408 C410 R415 M419 L422 W434 C436	W396-Y417 HydrophobicContact CB-CD1 4.16Å; W396-Y417 HydrophobicContact CB-CE1 3.63Å; W396-Y417 HydrophobicContact CB-CE2 4.44Å; W396-Y417 HydrophobicContact CG-CE1 4.12Å; L397-Y417 HydrophobicContact CD1-CD1 3.83Å; L397-Y417 HydrophobicContact CD1-CE1 4.31Å; L397-Y417 HydrophobicContact CD2-CE1 4.36Å; L397-Y417 HydrophobicContact CG-CD1 3.86Å; L397-Y417 HydrophobicContact CG-CE1 4.04Å; M407-Y417 CarbonylContact C-O 3.44Å; M407-Y417 WeakPolarHBondContact CA-O 3.18Å; L408-Y417 PolarHBondContact N-O 3.45Å; L408-Y417 PolarHBondContact O-N 3.01Å; C410-Y417 HydrophobicContact CB-CE2 4.5Å; R415-Y417 HydrophobicContact CB-CD2 4.46Å; R415-Y417 HydrophobicContact CB-CE2 3.57Å; R415-Y417 WeakPolarHBondContact CD-OH 3.34Å; R415-Y417 WeakPolarHBondContact O-CD2 3.32Å; Y417-M419 PolarHBondContact O-N 3.19Å; Y417-L422 HydrophobicContact CD1-CD2 4.08Å; Y417-L422 HydrophobicContact CG-CD2 4.25Å; Y417-W434 AromaticContact CD2-CH2 3.58Å; Y417-W434 HydrophobicContact CD2-CH2 3.58Å; Y417-W434 AromaticContact CD2-CZ3 3.76Å; Y417-W434 HydrophobicContact CD2-CZ3 3.76Å; Y417-W434 HydrophobicContact CE2-CH2 4.3Å; Y417-W434 HydrophobicContact CE2-CZ3 4.47Å; Y417-W434 AromaticContact CG-CH2 3.83Å; Y417-W434 HydrophobicContact CG-CH2 3.83Å; Y417-W434 HydrophobicContact CG-CZ3 4.38Å; Y417-C436 HydrophobicContact CD2-CB 3.89Å; Y417-C436 HydrophobicContact CE1-CB 4.34Å; Y417-C436 HydrophobicContact CE2-CB 3.25Å; Y417-C436 PolarHBondContact OH-SG 2.86Å
418	H	96.9	Very high	94.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	135.9	168.1	-63.3	120.6	0	0	0	110.2	C395 C398 E402 Q406 Y420 C421 L422	C395-H418 WeakPolarHBondContact CB-CE1 3.18Å; C395-H418 WeakPolarHBondContact CB-ND1 3.49Å; C395-H418 PolarHBondContact SG-N 3.27Å; C395-H418 PolarHBondContact SG-ND1 2.95Å; C395-H418 VanDerWaalsContact SG-ND1 3.38Å; C398-H418 PolarHBondContact SG-ND1 3.4Å; C398-H418 VanDerWaalsContact SG-ND1 3.35Å; E402-H418 PolarHBondContact O-NE2 2.76Å; Q406-H418 WeakPolarHBondContact O-CA 3.34Å; H418-Y420 HydrophobicContact CB-CD1 4.1Å; H418-Y420 HydrophobicContact CB-CD2 3.92Å; H418-Y420 HydrophobicContact CB-CE1 3.86Å; H418-Y420 HydrophobicContact CB-CE2 3.65Å; H418-Y420 HydrophobicContact CB-CG 4.14Å; H418-Y420 AromaticContact CD2-CZ 3.75Å; H418-Y420 PolarHBondContact CD2-OH 3.47Å; H418-Y420 AromaticContact CG-CE2 3.79Å; H418-Y420 AromaticContact CG-CZ 3.5Å; H418-Y420 VanDerWaalsContact CG-CZ 3.5Å; H418-Y420 AromaticContact ND1-CE2 3.93Å; H418-Y420 AromaticContact ND1-CZ 3.87Å; H418-Y420 PolarHBondContact NE2-OH 3.01Å; H418-Y420 PolarHBondContact O-N 3.45Å; H418-C421 HydrophobicContact CB-CB 3.98Å; H418-C421 PolarHBondContact O-N 2.95Å; H418-L422 PolarHBondContact O-N 2.96Å
419	M	95.8	Very high	94.5	Very high	15 Å²	15	53 Å²	53	7%	0.074	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-53.2	-37.9	175.7	-68.4	164.6	50.7	0	0	112	Q406 L408 Y417 P425 L426 S427	Q406-M419 HydrophobicContact CB-SD 4.35Å; Q406-M419 WeakPolarHBondContact O-CG 3.49Å; Q406-M419 PolarHBondContact O-N 3.22Å; L408-M419 HydrophobicContact CD1-CG 3.96Å; L408-M419 HydrophobicContact CD2-CG 4.02Å; L408-M419 HydrophobicContact CD2-SD 4.21Å; L408-M419 HydrophobicContact CG-CG 3.71Å; Y417-M419 PolarHBondContact O-N 3.19Å; M419-P425 WeakPolarHBondContact O-CA 3.34Å; M419-L426 HydrophobicContact CB-CB 4.2Å; M419-L426 WeakPolarHBondContact CB-O 3.49Å; M419-L426 PolarHBondContact O-N 3.08Å; M419-S427 WeakPolarHBondContact CE-O 3.22Å
420	Y	95.6	Very high	94.3	Very high	89 Å²	89	51.6 Å²	51.6	35%	0.349	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-80.3	-10.7	176.7	58.8	-105.5	0	0	0	115.3	N403 Q406 H418	N403-Y420 HydrophobicContact CB-CE1 4.14Å; N403-Y420 PolarHBondContact ND2-OH 3.41Å; Q406-Y420 HydrophobicContact CB-CE1 4.43Å; H418-Y420 HydrophobicContact CB-CD1 4.1Å; H418-Y420 HydrophobicContact CB-CD2 3.92Å; H418-Y420 HydrophobicContact CB-CE1 3.86Å; H418-Y420 HydrophobicContact CB-CE2 3.65Å; H418-Y420 HydrophobicContact CB-CG 4.14Å; H418-Y420 AromaticContact CD2-CZ 3.75Å; H418-Y420 PolarHBondContact CD2-OH 3.47Å; H418-Y420 AromaticContact CG-CE2 3.79Å; H418-Y420 AromaticContact CG-CZ 3.5Å; H418-Y420 VanDerWaalsContact CG-CZ 3.5Å; H418-Y420 AromaticContact ND1-CE2 3.93Å; H418-Y420 AromaticContact ND1-CZ 3.87Å; H418-Y420 PolarHBondContact NE2-OH 3.01Å; H418-Y420 PolarHBondContact O-N 3.45Å
421	C	95.8	Very high	94.1	Very high	28 Å²	28	61 Å²	61	19%	0.189	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-90.8	-12.8	172.7	-72.6	0	0	0	0	112.9	L397 H418	L397-C421 HydrophobicContact CB-CB 4.15Å; L397-C421 HydrophobicContact CD1-CB 4.12Å; L397-C421 WeakPolarHBondContact CD1-O 3.34Å; H418-C421 HydrophobicContact CB-CB 3.98Å; H418-C421 PolarHBondContact O-N 2.95Å
422	L	94.6	Very high	94	Very high	27 Å²	27	61.5 Å²	61.5	14%	0.141	36%	0.356	C	S	.	.	S	Bend	trans	-68.4	158.8	173.5	-63.3	175.9	0	0	0	110.9	L397 L408 Y417 H418 P424 P425 L426 W434	L397-L422 HydrophobicContact CD1-CD2 4.46Å; L408-L422 HydrophobicContact CD1-CD1 4.22Å; Y417-L422 HydrophobicContact CD1-CD2 4.08Å; Y417-L422 HydrophobicContact CG-CD2 4.25Å; H418-L422 PolarHBondContact O-N 2.96Å; L422-P424 VanDerWaalsContact C-C 3.46Å; L422-P424 CarbonylContact C-O 3.59Å; L422-P424 VanDerWaalsContact C-O 3.27Å; L422-P424 WeakPolarHBondContact CB-O 3.41Å; L422-P424 CarbonylContact O-C 3.48Å; L422-P424 VanDerWaalsContact O-C 3.25Å; L422-P425 WeakPolarHBondContact O-CA 3.45Å; L422-P425 VanDerWaalsContact O-N 3.1Å; L422-L426 HydrophobicContact CD1-CD1 3.73Å; L422-L426 HydrophobicContact CD1-CG 4.03Å; L422-W434 HydrophobicContact CD1-CH2 4.44Å; L422-W434 HydrophobicContact CD1-CZ2 3.93Å; L422-W434 HydrophobicContact CD2-CH2 4.27Å; L422-W434 HydrophobicContact CD2-CZ2 4.11Å
423	N	91.7	Very high	93.9	Very high	156 Å²	156	64.4 Å²	64.4	83%	0.834	38%	0.376	S	S	*	.	S	Bend	trans	-129.1	107.5	177.2	-76.6	-80	0	0	0	109.1
424	P	92.7	Very high	93.9	Very high	106 Å²	106	66.3 Å²	66.3	69%	0.688	38%	0.384	S	S	*	.	S	Bend	cis	-64.7	156.5	-5.9	30.6	-36.6	0	0	0	112.6	L422	L422-P424 VanDerWaalsContact C-C 3.46Å; L422-P424 CarbonylContact C-O 3.59Å; L422-P424 VanDerWaalsContact C-O 3.27Å; L422-P424 WeakPolarHBondContact CB-O 3.41Å; L422-P424 CarbonylContact O-C 3.48Å; L422-P424 VanDerWaalsContact O-C 3.25Å
425	P	94.1	Very high	93.8	Very high	84 Å²	84	65.7 Å²	65.7	55%	0.545	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-70.5	148.6	173.5	30	-35.1	0	0	0	110.9	M419 L422	M419-P425 WeakPolarHBondContact O-CA 3.34Å; L422-P425 WeakPolarHBondContact O-CA 3.45Å; L422-P425 VanDerWaalsContact O-N 3.1Å
426	L	93.5	Very high	93.8	Very high	64 Å²	64	65 Å²	65	34%	0.335	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-99.9	142.9	177.2	-58.7	-179.8	0	0	0	110.9	L408 M419 L422	L408-L426 HydrophobicContact CD1-CD1 4.01Å; M419-L426 HydrophobicContact CB-CB 4.2Å; M419-L426 WeakPolarHBondContact CB-O 3.49Å; M419-L426 PolarHBondContact O-N 3.08Å; L422-L426 HydrophobicContact CD1-CD1 3.73Å; L422-L426 HydrophobicContact CD1-CG 4.03Å
427	S	91.1	Very high	93.7	Very high	115 Å²	115	72.4 Å²	72.4	80%	0.804	41%	0.41	S	S	*	.	S	Bend	trans	-91.4	-31	175.2	53.2	0	0	0	0	113.3	M419	M419-S427 WeakPolarHBondContact CE-O 3.22Å
428	E	92.6	Very high	93.4	Very high	149 Å²	149	75.6 Å²	75.6	70%	0.696	43%	0.427	S	S	*	.	S	Bend	trans	-132.5	151.3	-178.1	-67.8	179.3	-178.6	0	0	108.9
429	P	92.4	Very high	93.3	Very high	89 Å²	89	75.7 Å²	75.7	58%	0.578	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-64.7	143	177.9	27.8	-34.9	0	0	0	110.6	L408	L408-P429 HydrophobicContact CD2-CB 3.91Å
430	P	92.1	Very high	93.1	Very high	49 Å²	49	77.7 Å²	77.7	32%	0.318	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-64.8	142.3	179.5	27.6	-34.6	0	0	0	111.5	L408 W434	L408-P430 HydrophobicContact CD1-CG 4.06Å; P430-W434 HydrophobicContact CG-CB 3.75Å; P430-W434 HydrophobicContact CG-CG 3.71Å
431	E	90.9	Very high	93	Very high	199 Å²	199	77.9 Å²	77.9	93%	0.93	45%	0.448	S	S	*	.	S	Bend	trans	-73.1	137	173.2	-64.7	-169.2	156.3	0	0	111.5
432	G	91.4	Very high	92.7	Very high	75 Å²	75	81.9 Å²	81.9	77%	0.773	46%	0.459	S	S	*	.	S	Bend	trans	80.1	-148.8	180	0	0	0	0	0	113.1
433	S	91.8	Very high	92.5	Very high	63 Å²	63	82.1 Å²	82.1	44%	0.441	46%	0.459	S	S	.	.			trans	-89.1	138.5	-177.8	40	0	0	0	0	112.5	D411 A448 S449	D411-S433 WeakPolarHBondContact OD2-CA 3.47Å; D411-S433 WeakPolarHBondContact OD2-CB 3.19Å; S433-A448 WeakPolarHBondContact CB-O 3.49Å; S433-A448 PolarHBondContact OG-O 3.04Å; S433-S449 VanDerWaalsContact O-CB 3.25Å; S433-S449 WeakPolarHBondContact O-CB 3.43Å
434	W	94.4	Very high	92.4	Very high	40 Å²	40	80.8 Å²	80.8	15%	0.152	45%	0.448	C	S	.	.			trans	-125.4	123.4	-173.5	-177.3	76	0	0	0	113.3	L408 C410 D411 Y417 L422 P430 C436	L408-W434 HydrophobicContact CB-CE3 3.99Å; L408-W434 HydrophobicContact CB-CH2 4.47Å; L408-W434 HydrophobicContact CB-CZ3 3.9Å; L408-W434 HydrophobicContact CD1-CD2 4.33Å; L408-W434 HydrophobicContact CD1-CE3 4.47Å; C410-W434 WeakPolarHBondContact CA-O 3.46Å; C410-W434 HydrophobicContact CB-CE3 4.32Å; C410-W434 HydrophobicContact CB-CZ3 4.07Å; D411-W434 PolarHBondContact N-O 3.21Å; D411-W434 PolarHBondContact OD2-N 3.37Å; Y417-W434 AromaticContact CD2-CH2 3.58Å; Y417-W434 HydrophobicContact CD2-CH2 3.58Å; Y417-W434 AromaticContact CD2-CZ3 3.76Å; Y417-W434 HydrophobicContact CD2-CZ3 3.76Å; Y417-W434 HydrophobicContact CE2-CH2 4.3Å; Y417-W434 HydrophobicContact CE2-CZ3 4.47Å; Y417-W434 AromaticContact CG-CH2 3.83Å; Y417-W434 HydrophobicContact CG-CH2 3.83Å; Y417-W434 HydrophobicContact CG-CZ3 4.38Å; L422-W434 HydrophobicContact CD1-CH2 4.44Å; L422-W434 HydrophobicContact CD1-CZ2 3.93Å; L422-W434 HydrophobicContact CD2-CH2 4.27Å; L422-W434 HydrophobicContact CD2-CZ2 4.11Å; P430-W434 HydrophobicContact CG-CB 3.75Å; P430-W434 HydrophobicContact CG-CG 3.71Å; W434-C436 HydrophobicContact CH2-CB 3.67Å; W434-C436 HydrophobicContact CZ2-CB 4.23Å; W434-C436 HydrophobicContact CZ3-CB 4.03Å
435	S	95.1	Very high	92.2	Very high	5 Å²	5	80.4 Å²	80.4	4%	0.035	44%	0.444	C	S	.	.			trans	-105.3	127	174.2	-51.6	0	0	0	0	109.8	D412 A448 S449	D412-S435 VanDerWaalsContact OD2-CB 3.28Å; D412-S435 WeakPolarHBondContact OD2-CB 3.41Å; D412-S435 PolarHBondContact OD2-OG 3.31Å; S435-A448 PolarHBondContact OG-N 3.39Å; S435-S449 WeakPolarHBondContact CB-OG 3.33Å; S435-S449 PolarHBondContact N-OG 2.61Å; S435-S449 PolarHBondContact OG-N 2.9Å; S435-S449 PolarHBondContact OG-OG 3.31Å
436	C	94.6	Very high	91.9	Very high	1 Å²	1	80 Å²	80	1%	0.007	44%	0.443	C	S	.	.			trans	-66	158.8	169.5	75.5	0	0	0	0	110.9	C410 Y417 W434 L438 C439 V440	C410-C436 HydrophobicContact CB-CB 3.93Å; C410-C436 PolarHBondContact SG-N 2.9Å; Y417-C436 HydrophobicContact CD2-CB 3.89Å; Y417-C436 HydrophobicContact CE1-CB 4.34Å; Y417-C436 HydrophobicContact CE2-CB 3.25Å; Y417-C436 PolarHBondContact OH-SG 2.86Å; W434-C436 HydrophobicContact CH2-CB 3.67Å; W434-C436 HydrophobicContact CZ2-CB 4.23Å; W434-C436 HydrophobicContact CZ3-CB 4.03Å; C436-L438 PolarHBondContact O-N 2.96Å; C436-L438 VanDerWaalsContact O-N 3.08Å; C436-C439 WeakPolarHBondContact O-CA 3.35Å; C436-C439 WeakPolarHBondContact O-CB 3.43Å; C436-C439 PolarHBondContact O-N 3.22Å; C436-V440 PolarHBondContact O-N 3.03Å; C436-V440 VanDerWaalsContact O-N 3.12Å
437	K	92.4	Very high	91.6	Very high	156 Å²	156	77.3 Å²	77.3	68%	0.678	43%	0.43	S	S	*	.	H	α-helix	trans	-48.1	-43.7	-176.9	-176.4	176.8	178.3	-177.4	0	113.7	C439 V440 D441	K437-C439 PolarHBondContact O-N 2.88Å; K437-C439 VanDerWaalsContact O-N 3.17Å; K437-V440 PolarHBondContact O-N 3.35Å; K437-D441 VanDerWaalsContact CE-OD2 3.24Å; K437-D441 WeakPolarHBondContact CE-OD2 3.41Å; K437-D441 WeakPolarHBondContact CG-OD2 3.42Å; K437-D441 WeakPolarHBondContact O-CB 3.43Å; K437-D441 VanDerWaalsContact O-CG 3.23Å; K437-D441 PolarHBondContact O-N 2.79Å
438	L	92.5	Very high	91.3	Very high	78 Å²	78	73.6 Å²	73.6	41%	0.408	41%	0.406	S	S	.	.	H	α-helix	trans	-58.8	-29	179	-58.9	177.7	0	0	0	113.5	C436 R442	C436-L438 PolarHBondContact O-N 2.96Å; C436-L438 VanDerWaalsContact O-N 3.08Å; L438-R442 WeakPolarHBondContact O-CB 3.3Å; L438-R442 PolarHBondContact O-N 2.93Å
439	C	94.2	Very high	90.8	Very high	1 Å²	1	68.3 Å²	68.3	1%	0.007	39%	0.385	C	S	.	.	H	α-helix	trans	-88.6	-34.7	178.3	-65.4	0	0	0	0	112.1	C410 D412 C413 C436 K437 R442 F443	C410-C439 VanDerWaalsContact SG-SG 3.61Å; D412-C439 HydrophobicContact CB-CB 3.59Å; C413-C439 VanDerWaalsContact CB-SG 3.57Å; C413-C439 PolarHBondContact SG-SG 3.22Å; C436-C439 WeakPolarHBondContact O-CA 3.35Å; C436-C439 WeakPolarHBondContact O-CB 3.43Å; C436-C439 PolarHBondContact O-N 3.22Å; K437-C439 PolarHBondContact O-N 2.88Å; K437-C439 VanDerWaalsContact O-N 3.17Å; C439-R442 PolarHBondContact O-N 2.97Å; C439-F443 HydrophobicContact CB-CD2 3.98Å; C439-F443 HydrophobicContact CB-CE2 4.33Å; C439-F443 WeakPolarHBondContact O-CB 3.39Å; C439-F443 WeakPolarHBondContact O-CD2 3.37Å; C439-F443 PolarHBondContact O-N 3.16Å
440	V	92.7	Very high	89.8	Confident	57 Å²	57	67.9 Å²	67.9	35%	0.345	37%	0.374	S	S	.	.	H	α-helix	trans	-61.1	-47.3	170.2	-179.7	0	0	0	0	110.3	C436 K437 R442 Q444	C436-V440 PolarHBondContact O-N 3.03Å; C436-V440 VanDerWaalsContact O-N 3.12Å; K437-V440 PolarHBondContact O-N 3.35Å; V440-R442 VanDerWaalsContact C-N 3.32Å; V440-R442 PolarHBondContact O-N 3.16Å; V440-Q444 VanDerWaalsContact O-CA 3.26Å; V440-Q444 WeakPolarHBondContact O-CA 3.45Å; V440-Q444 PolarHBondContact O-N 3.19Å
441	D	91.9	Very high	88.3	Confident	93 Å²	93	69.6 Å²	69.6	50%	0.497	39%	0.388	S	S	.	.	H	α-helix	trans	-63.8	-35.7	178.7	-64.4	-16.8	0	0	0	111.9	K437	K437-D441 VanDerWaalsContact CE-OD2 3.24Å; K437-D441 WeakPolarHBondContact CE-OD2 3.41Å; K437-D441 WeakPolarHBondContact CG-OD2 3.42Å; K437-D441 WeakPolarHBondContact O-CB 3.43Å; K437-D441 VanDerWaalsContact O-CG 3.23Å; K437-D441 PolarHBondContact O-N 2.79Å
442	R	90.5	Very high	86.4	Confident	112 Å²	112	65.4 Å²	65.4	42%	0.423	38%	0.376	S	S	.	.	H	α-helix	trans	-85.4	-42.9	-176.5	-178.6	176.3	175.6	175.4	-4.3	114.9	T384 L438 C439 V440	T384-R442 PolarHBondContact OG1-NH1 3.45Å; L438-R442 WeakPolarHBondContact O-CB 3.3Å; L438-R442 PolarHBondContact O-N 2.93Å; C439-R442 PolarHBondContact O-N 2.97Å; V440-R442 VanDerWaalsContact C-N 3.32Å; V440-R442 PolarHBondContact O-N 3.16Å
443	F	90.8	Very high	84.4	Confident	32 Å²	32	66 Å²	66	14%	0.14	37%	0.368	C	S	.	.	H	α-helix	trans	-104.4	-17.9	-173.5	-60.9	-67.4	0	0	0	113.4	N377 S381 D412 C439 T445 S446 A447	N377-F443 HydrophobicContact CB-CE1 4.38Å; N377-F443 HydrophobicContact CB-CE2 4.24Å; N377-F443 HydrophobicContact CB-CZ 4.1Å; S381-F443 WeakPolarHBondContact OG-CE2 3.35Å; S381-F443 WeakPolarHBondContact OG-CZ 3.44Å; D412-F443 HydrophobicContact CB-CD2 4.07Å; D412-F443 HydrophobicContact CB-CE2 4.01Å; C439-F443 HydrophobicContact CB-CD2 3.98Å; C439-F443 HydrophobicContact CB-CE2 4.33Å; C439-F443 WeakPolarHBondContact O-CB 3.39Å; C439-F443 WeakPolarHBondContact O-CD2 3.37Å; C439-F443 PolarHBondContact O-N 3.16Å; F443-T445 PolarHBondContact O-N 3.16Å; F443-T445 VanDerWaalsContact O-N 3.1Å; F443-S446 WeakPolarHBondContact O-CB 3.37Å; F443-S446 PolarHBondContact O-N 2.8Å; F443-A447 HydrophobicContact CB-CB 4.12Å
444	Q	89.3	Confident	82.2	Confident	128 Å²	128	71.6 Å²	71.6	60%	0.598	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	52.2	-111.8	173.6	-56.9	175.8	14.9	0	0	112.4	V440 S446 A447 F450	V440-Q444 VanDerWaalsContact O-CA 3.26Å; V440-Q444 WeakPolarHBondContact O-CA 3.45Å; V440-Q444 PolarHBondContact O-N 3.19Å; Q444-S446 PolarHBondContact O-N 3.03Å; Q444-A447 WeakPolarHBondContact O-CB 3.49Å; Q444-A447 PolarHBondContact O-N 3.31Å; Q444-F450 WeakPolarHBondContact O-CD2 3.18Å
445	T	88	Confident	79.8	Confident	99 Å²	99	73.9 Å²	73.9	61%	0.607	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-66.2	-15.3	178	53.4	0	0	0	0	114.3	F443 F450	F443-T445 PolarHBondContact O-N 3.16Å; F443-T445 VanDerWaalsContact O-N 3.1Å; T445-F450 HydrophobicContact CG2-CE1 4.06Å; T445-F450 HydrophobicContact CG2-CE2 4.15Å; T445-F450 HydrophobicContact CG2-CZ 3.83Å
446	S	87.6	Confident	77	Confident	75 Å²	75	81 Å²	81	52%	0.524	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-98.9	2	177.5	-53.5	0	0	0	0	113.2	N377 F443 Q444	N377-S446 PolarHBondContact ND2-O 3.19Å; F443-S446 WeakPolarHBondContact O-CB 3.37Å; F443-S446 PolarHBondContact O-N 2.8Å; Q444-S446 PolarHBondContact O-N 3.03Å
447	A	87.9	Confident	74.3	Confident	8 Å²	8	86.8 Å²	86.8	7%	0.066	48%	0.476	C	S	.	.	S	Bend	trans	-73.6	142	175.1	0	0	0	0	0	111	D412 F443 Q444 S449 F450	D412-A447 WeakPolarHBondContact OD2-CA 3.26Å; F443-A447 HydrophobicContact CB-CB 4.12Å; Q444-A447 WeakPolarHBondContact O-CB 3.49Å; Q444-A447 PolarHBondContact O-N 3.31Å; A447-S449 PolarHBondContact O-N 3.28Å; A447-S449 VanDerWaalsContact O-N 3.15Å; A447-F450 VanDerWaalsContact O-CB 3.3Å; A447-F450 WeakPolarHBondContact O-CB 3.46Å; A447-F450 PolarHBondContact O-N 3.15Å
448	A	84.4	Confident	71.6	Confident	36 Å²	36	84.5 Å²	84.5	30%	0.298	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-26.6	-176.5	0	0	0	0	0	114.6	D411 D412 S433 S435	D411-A448 HydrophobicContact CB-CB 3.78Å; D412-A448 PolarHBondContact OD1-N 3.45Å; D412-A448 PolarHBondContact OD2-N 3.37Å; S433-A448 WeakPolarHBondContact CB-O 3.49Å; S433-A448 PolarHBondContact OG-O 3.04Å; S435-A448 PolarHBondContact OG-N 3.39Å
449	S	81.5	Confident	68.9	Low	38 Å²	38	88.9 Å²	88.9	27%	0.266	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	19.9	173.9	77.2	0	0	0	0	114.5	S433 S435 A447 S451	S433-S449 VanDerWaalsContact O-CB 3.25Å; S433-S449 WeakPolarHBondContact O-CB 3.43Å; S435-S449 WeakPolarHBondContact CB-OG 3.33Å; S435-S449 PolarHBondContact N-OG 2.61Å; S435-S449 PolarHBondContact OG-N 2.9Å; S435-S449 PolarHBondContact OG-OG 3.31Å; A447-S449 PolarHBondContact O-N 3.28Å; A447-S449 VanDerWaalsContact O-N 3.15Å; S449-S451 VanDerWaalsContact C-N 3.27Å; S449-S451 PolarHBondContact O-N 2.82Å
450	F	72.4	Confident	66.1	Low	80 Å²	80	95 Å²	95	35%	0.351	54%	0.54	S	S	.	.			trans	-75.6	80.4	174.5	-167.7	-95	0	0	0	110.9	Q444 T445 A447 T452 V455	Q444-F450 WeakPolarHBondContact O-CD2 3.18Å; T445-F450 HydrophobicContact CG2-CE1 4.06Å; T445-F450 HydrophobicContact CG2-CE2 4.15Å; T445-F450 HydrophobicContact CG2-CZ 3.83Å; A447-F450 VanDerWaalsContact O-CB 3.3Å; A447-F450 WeakPolarHBondContact O-CB 3.46Å; A447-F450 PolarHBondContact O-N 3.15Å; F450-T452 PolarHBondContact O-N 3.44Å; F450-T452 VanDerWaalsContact O-N 3.12Å; F450-V455 HydrophobicContact CE1-CG1 4.44Å; F450-V455 HydrophobicContact CZ-CG1 4.31Å
451	S	60.5	Low	63.3	Low	86 Å²	86	101.7 Å²	101.7	60%	0.601	56%	0.564	S	S	*	*			trans	-54.9	115.7	173.8	-60.7	0	0	0	0	110.8	S449 S453	S449-S451 VanDerWaalsContact C-N 3.27Å; S449-S451 PolarHBondContact O-N 2.82Å; S451-S453 PolarHBondContact O-N 2.63Å
452	T	51.3	Low	60.7	Low	111 Å²	111	107.6 Å²	107.6	68%	0.681	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	10.4	-175	-14.6	0	0	0	0	114.5	F450 V455	F450-T452 PolarHBondContact O-N 3.44Å; F450-T452 VanDerWaalsContact O-N 3.12Å; T452-V455 HydrophobicContact CG2-CG2 3.97Å
453	S	48.3	Very low	58.1	Low	86 Å²	86	106 Å²	106	60%	0.601	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-13.3	-169.8	47.9	0	0	0	0	115.4	S451	S451-S453 PolarHBondContact O-N 2.63Å
454	F	46.9	Very low	55.8	Low	182 Å²	182	111.2 Å²	111.2	80%	0.798	62%	0.621	S	S	*	*	S	Bend	trans	-106.5	-10.3	-178.8	-75.2	-77.7	0	0	0	115.3	N456	F454-N456 PolarHBondContact O-N 3.49Å; F454-N456 VanDerWaalsContact O-N 3.1Å
455	V	43.5	Very low	53.4	Low	87 Å²	87	110.8 Å²	110.8	53%	0.527	63%	0.632	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.7	50.6	176.8	-71.5	0	0	0	0	112.6	F450 T452	F450-V455 HydrophobicContact CE1-CG1 4.44Å; F450-V455 HydrophobicContact CZ-CG1 4.31Å; T452-V455 HydrophobicContact CG2-CG2 3.97Å
456	N	36	Very low	51	Low	155 Å²	155	111.6 Å²	111.6	83%	0.829	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.8	20.6	173.9	-107.6	-35.5	0	0	0	114	F454	F454-N456 PolarHBondContact O-N 3.49Å; F454-N456 VanDerWaalsContact O-N 3.1Å
457	V	37.7	Very low	48.7	Very low	123 Å²	123	114.9 Å²	114.9	75%	0.745	65%	0.651	S	S	*	*	S	Bend	trans	-127	145	169	-174.7	0	0	0	0	107.8
458	S	35.2	Very low	46.4	Very low	107 Å²	107	122.1 Å²	122.1	75%	0.748	69%	0.688	S	S	*	*	S	Bend	trans	71.6	33.8	178.7	-51.8	0	0	0	0	117.5
459	L	37.5	Very low	44.1	Very low	171 Å²	171	128.4 Å²	128.4	90%	0.895	71%	0.711	S	S	*	*			trans	-133.4	29.7	156.4	-144.6	76.4	0	0	0	113.6	K461	L459-K461 PolarHBondContact O-N 2.9Å
460	T	34.3	Very low	42.4	Very low	130 Å²	130	135.5 Å²	135.5	80%	0.798	75%	0.745	S	S	*	*			trans	-72	119.5	169.9	34.2	0	0	0	0	110.5	K462	T460-K462 PolarHBondContact O-N 3.3Å
461	K	34.8	Very low	40.7	Very low	197 Å²	197	137.8 Å²	137.8	86%	0.857	76%	0.761	S	S	*	*			trans	-45.3	126.7	175.8	-58.3	168.2	-178.2	175.9	0	111.2	L459	L459-K461 PolarHBondContact O-N 2.9Å
462	K	35.7	Very low	39.5	Very low	216 Å²	216	140 Å²	140	94%	0.939	77%	0.767	S	S	*	*			trans	-116.3	63	163.9	-159	174.1	-173.7	179.8	0	110.6	T460	T460-K462 PolarHBondContact O-N 3.3Å
463	S	37.3	Very low	39.1	Very low	78 Å²	78	140 Å²	140	55%	0.545	76%	0.763	S	S	.	*			trans	-89.5	130.6	167.6	50.8	0	0	0	0	109.6
464	D	40.8	Very low	38.7	Very low	142 Å²	142	141.8 Å²	141.8	76%	0.759	77%	0.765	S	S	*	*	S	Bend	trans	67.8	127.6	157.4	-44.3	-43	0	0	0	119.8
465	S	39.9	Very low	38.5	Very low	120 Å²	120	139.3 Å²	139.3	84%	0.839	76%	0.76	S	S	*	*			trans	64.8	151.6	161.3	64.9	0	0	0	0	118.4
466	C	37.9	Very low	38.7	Very low	116 Å²	116	141.2 Å²	141.2	78%	0.784	77%	0.767	S	S	*	*			cis	-150.6	165.7	-12.3	38.5	0	0	0	0	112
467	I	38.2	Very low	39.2	Very low	144 Å²	144	139.9 Å²	139.9	74%	0.738	76%	0.76	S	S	*	*			trans	-32.4	139.5	167	-20.4	178.8	0	0	0	115
468	D	39.6	Very low	39.6	Very low	160 Å²	160	140 Å²	140	86%	0.856	76%	0.757	S	S	*	*				-173	165.6	113.3	-94.2	-15.4	0	0	0	112.9
469	E	37.2	Very low	40.1	Very low	167 Å²	167	142.3 Å²	142.3	78%	0.78	76%	0.761	S	S	*	*			trans	-89.8	146.3	-158.4	-52.4	-177.3	114	0	0	115.7
470	L	45.5	Very low	40.5	Very low	187 Å²	187	141.6 Å²	141.6	98%	0.979	75%	0.75	S	S	*	*			trans	-140.8	115.6	141.3	-82.5	-175	0	0	0	110.3
471	N	35.8	Very low	41.2	Very low	128 Å²	128	140.5 Å²	140.5	68%	0.684	74%	0.74	S	S	*	*			trans	-114.1	126.2	-175.4	170.6	18	0	0	0	110.7
472	N	37.3	Very low	41.9	Very low	134 Å²	134	137.7 Å²	137.7	72%	0.717	73%	0.734	S	S	*	*			trans	-169.3	126	140.4	-111.4	-28.7	0	0	0	116.2
473	N	42	Very low	42.2	Very low	111 Å²	111	133.1 Å²	133.1	59%	0.594	72%	0.724	S	S	*	*			trans	60	109.6	137.4	-66.9	-24.2	0	0	0	123.5
474	N	40.6	Very low	42.1	Very low	123 Å²	123	134.2 Å²	134.2	66%	0.658	73%	0.732	S	S	*	*				58.3	127.7	116.5	-50.2	-22.9	0	0	0	119.4
475	N	42.8	Very low	42	Very low	130 Å²	130	135.5 Å²	135.5	70%	0.695	74%	0.737	S	S	*	*				-161	146.9	56.6	-86.6	-79.8	0	0	0	114.1
476	N	46.6	Very low	41.5	Very low	126 Å²	126	134.9 Å²	134.9	67%	0.674	73%	0.732	S	S	*	*				32.8	129	129.1	-54.5	-11.9	0	0	0	118.7
477	N	46.3	Very low	41.3	Very low	128 Å²	128	137.8 Å²	137.8	68%	0.684	73%	0.734	S	S	*	*			cis	-168.7	149.5	39.4	-106.9	-25.3	0	0	0	114
478	N	46.1	Very low	41.5	Very low	125 Å²	125	134.3 Å²	134.3	67%	0.668	72%	0.722	S	S	*	*			trans	45.9	104.5	137.1	-52.6	-20	0	0	0	121.8
479	N	45.2	Very low	41.5	Very low	155 Å²	155	135.1 Å²	135.1	83%	0.829	72%	0.718	S	S	*	*				144.9	143.7	120.1	-75.4	-22.4	0	0	0	110.3
480	K	46.7	Very low	41.6	Very low	157 Å²	157	136 Å²	136	68%	0.683	73%	0.727	S	S	*	*			cis	175.5	152.4	-27.3	-141.7	-173.5	152.5	-82.5	0	103.7
481	D	49.9	Very low	41.2	Very low	106 Å²	106	133.8 Å²	133.8	57%	0.567	72%	0.716	S	S	*	*			trans	71.1	98.4	158.2	-52.2	-22.3	0	0	0	119.2
482	D	48.3	Very low	41.5	Very low	139 Å²	139	134.1 Å²	134.1	74%	0.743	72%	0.723	S	S	*	*				103	119.9	127	-59.2	-17.8	0	0	0	123.5
483	T	42	Very low	41.7	Very low	120 Å²	120	133 Å²	133	74%	0.736	72%	0.723	S	S	*	*			trans	48.3	110.2	150.5	57.9	0	0	0	0	119.1
484	S	36.6	Very low	41.3	Very low	100 Å²	100	134 Å²	134	70%	0.699	74%	0.737	S	S	*	*				63.3	105.2	57.3	85.8	0	0	0	0	115.6
485	I	36.9	Very low	41.5	Very low	170 Å²	170	133 Å²	133	87%	0.872	74%	0.739	S	S	*	*				-178.4	132.8	126	-91.9	155.8	0	0	0	107.8
486	C	31.1	Very low	41.2	Very low	107 Å²	107	132.3 Å²	132.3	72%	0.723	74%	0.74	S	S	*	*			trans	-121.6	172.8	171.3	55.4	0	0	0	0	109.4
487	E	33.5	Very low	40.8	Very low	177 Å²	177	133.5 Å²	133.5	83%	0.827	75%	0.745	S	S	*	*			trans	68.8	147.3	170.8	-71.1	-170.6	-178.5	0	0	116.7
488	S	40.8	Very low	40.5	Very low	71 Å²	71	133 Å²	133	50%	0.497	75%	0.746	S	S	.	*			cis	-164.6	177.4	-5	43	0	0	0	0	111.5
489	K	41.2	Very low	40.1	Very low	176 Å²	176	131.6 Å²	131.6	77%	0.765	75%	0.746	S	S	*	*			trans	75.7	108.6	158.6	-59.3	138.4	-170.2	159	0	118.5
490	L	38.6	Very low	39.7	Very low	186 Å²	186	129.4 Å²	129.4	97%	0.974	74%	0.743	S	S	*	*				-117.9	152.6	118.5	-80.3	177.7	0	0	0	108.7
491	N	37.7	Very low	39.4	Very low	140 Å²	140	128.3 Å²	128.3	75%	0.749	75%	0.749	S	S	*	*			trans	-142.5	126.1	-157.4	-179.5	54.4	0	0	0	110.8
492	V	42.4	Very low	39.1	Very low	136 Å²	136	129.1 Å²	129.1	82%	0.824	76%	0.758	S	S	*	*			trans	-134.8	124.6	174.1	-177.5	0	0	0	0	108.1
493	P	41.4	Very low	38.8	Very low	110 Å²	110	127 Å²	127	71%	0.714	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-83.1	133.1	-168.7	31.6	-34.8	0	0	0	113
494	C	32	Very low	38.6	Very low	131 Å²	131	129.7 Å²	129.7	89%	0.885	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-87.6	120.9	162.2	-174.6	0	0	0	0	108.9
495	S	45.4	Very low	38.8	Very low	103 Å²	103	132 Å²	132	72%	0.72	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-100.9	116.2	-177.5	51.1	0	0	0	0	112.3
496	T	36.7	Very low	39	Very low	116 Å²	116	130 Å²	130	71%	0.712	76%	0.756	S	S	*	*			trans	64.6	82.3	148.9	-42.2	0	0	0	0	117.3	V498	T496-V498 HydrophobicContact CG2-CG2 3.64Å; T496-V498 PolarHBondContact O-N 3.12Å
497	I	38.3	Very low	39.4	Very low	150 Å²	150	130.3 Å²	130.3	77%	0.769	76%	0.757	S	S	*	*			trans	-67.1	122.4	146.9	-63.9	171	0	0	0	107.8
498	V	40.4	Very low	39.4	Very low	117 Å²	117	127.9 Å²	127.9	71%	0.709	75%	0.754	S	S	*	*			trans	-108.1	101.7	158.8	-170.1	0	0	0	0	108.1	T496	T496-V498 HydrophobicContact CG2-CG2 3.64Å; T496-V498 PolarHBondContact O-N 3.12Å
499	S	36.5	Very low	39.2	Very low	96 Å²	96	133.4 Å²	133.4	67%	0.671	77%	0.769	S	S	*	*			trans	-70.9	130.5	172.7	-61.7	0	0	0	0	110.2
500	S	37.5	Very low	38.9	Very low	110 Å²	110	132.8 Å²	132.8	77%	0.769	77%	0.769	S	S	*	*			trans	-137.8	78.8	163.3	-77	0	0	0	0	109	V502	S500-V502 PolarHBondContact O-N 2.95Å
501	V	39.8	Very low	38.9	Very low	133 Å²	133	128.4 Å²	128.4	81%	0.806	75%	0.754	S	S	*	*			trans	-77	114.4	167	-80.3	0	0	0	0	109
502	V	44.5	Very low	38.9	Very low	123 Å²	123	126.9 Å²	126.9	75%	0.745	75%	0.754	S	S	*	*			trans	-114.8	102.4	164.4	178.2	0	0	0	0	107.3	S500	S500-V502 PolarHBondContact O-N 2.95Å
503	S	41.1	Very low	38.7	Very low	95 Å²	95	125.6 Å²	125.6	66%	0.664	75%	0.751	S	S	*	*			trans	-85.9	128.5	177.8	-53.7	0	0	0	0	110.6
504	H	37.9	Very low	38.6	Very low	177 Å²	177	127.9 Å²	127.9	82%	0.819	76%	0.757	S	S	*	*			trans	-126.7	127.2	158.3	-80.4	-73.8	0	0	0	109.9
505	I	41.4	Very low	38.8	Very low	147 Å²	147	128.7 Å²	128.7	75%	0.754	76%	0.758	S	S	*	*			trans	-127.9	179.8	-177.9	-55.8	173.3	0	0	0	106
506	V	41.2	Very low	38.5	Very low	129 Å²	129	129 Å²	129	78%	0.782	76%	0.76	S	S	*	*			trans	89	130.6	160.2	-171.8	0	0	0	0	115.1
507	P	38.4	Very low	38.8	Very low	113 Å²	113	128.6 Å²	128.6	73%	0.734	76%	0.759	S	S	*	*			cis	-141.4	-164.7	-30.6	41.5	-22.2	0	0	0	113.9
508	V	33.6	Very low	39	Very low	127 Å²	127	126.8 Å²	126.8	77%	0.77	76%	0.76	S	S	*	*			trans	-104.2	143.4	167.4	169.6	0	0	0	0	110.3
509	F	37.6	Very low	39	Very low	186 Å²	186	125.9 Å²	125.9	82%	0.816	76%	0.759	S	S	*	*			trans	-161.9	103.7	151.3	-98.9	-67.3	0	0	0	114.9
510	Q	35.6	Very low	39.2	Very low	164 Å²	164	126.4 Å²	126.4	77%	0.766	76%	0.763	S	S	*	*				42.7	139.8	127.4	-117.6	173.2	-1.5	0	0	125.2
511	S	37.1	Very low	39.3	Very low	93 Å²	93	125.5 Å²	125.5	65%	0.65	76%	0.756	S	S	*	*			trans	106.9	98.2	135.4	-60.7	0	0	0	0	122.9
512	S	39	Very low	39.3	Very low	109 Å²	109	127 Å²	127	76%	0.762	76%	0.759	S	S	*	*			trans	54.6	122.1	130.7	63.2	0	0	0	0	123.3
513	S	37.9	Very low	39	Very low	108 Å²	108	125.8 Å²	125.8	76%	0.755	76%	0.756	S	S	*	*				-176.1	126.5	100.9	38.2	0	0	0	0	116.1
514	L	38.8	Very low	38.8	Very low	158 Å²	158	126.5 Å²	126.5	83%	0.827	76%	0.761	S	S	*	*			trans	41.6	112.5	135.4	-57	168	0	0	0	121.7
515	T	37.2	Very low	38.8	Very low	148 Å²	148	123.6 Å²	123.6	91%	0.908	76%	0.761	S	S	*	*				-179.2	153.1	98.2	28.6	0	0	0	0	113.1
516	S	37.6	Very low	38.5	Very low	111 Å²	111	122.7 Å²	122.7	78%	0.776	77%	0.767	S	S	*	*			trans	-151.9	171.8	169.8	67.4	0	0	0	0	107.9
517	P	44.7	Very low	38.2	Very low	106 Å²	106	120.3 Å²	120.3	69%	0.688	77%	0.769	S	S	*	*				-158.1	171.9	79.9	41.6	-21.2	0	0	0	118
518	S	41.2	Very low	38.1	Very low	113 Å²	113	122.4 Å²	122.4	79%	0.79	77%	0.773	S	S	*	*			trans	59.4	160.7	144.8	70.1	0	0	0	0	120.3
519	S	41.5	Very low	38	Very low	97 Å²	97	125.2 Å²	125.2	68%	0.678	78%	0.775	S	S	*	*			cis	-156	149.2	10.1	52.2	0	0	0	0	113.5
520	S	40.2	Very low	37.9	Very low	108 Å²	108	124.8 Å²	124.8	76%	0.755	78%	0.776	S	S	*	*			trans	55	145.8	145.9	53.8	0	0	0	0	121.9
521	S	39.5	Very low	38	Very low	91 Å²	91	122.7 Å²	122.7	64%	0.636	78%	0.78	S	S	*	*			cis	-178.8	152.3	-6.7	50.1	0	0	0	0	112.1
522	L	38.7	Very low	37.9	Very low	164 Å²	164	123.9 Å²	123.9	86%	0.859	79%	0.788	S	S	*	*			trans	65.5	151.7	155.6	-63.9	157.8	0	0	0	117.6
523	S	39.2	Very low	38.1	Very low	98 Å²	98	123.9 Å²	123.9	69%	0.685	79%	0.794	S	S	*	*			cis	-159.3	143.9	-12.1	46.2	0	0	0	0	112.5
524	S	36.7	Very low	37.9	Very low	110 Å²	110	126.6 Å²	126.6	77%	0.769	80%	0.795	S	S	*	*			trans	-10	135.3	162.9	55.2	0	0	0	0	121.9
525	S	38.4	Very low	37.9	Very low	116 Å²	116	125.3 Å²	125.3	81%	0.811	79%	0.788	S	S	*	*				177.7	143	100	50.2	0	0	0	0	115.9
526	S	35	Very low	37.8	Very low	127 Å²	127	125.7 Å²	125.7	89%	0.888	78%	0.779	S	S	*	*			trans	4.7	129.1	158.5	-47	0	0	0	0	122.3
527	G	35.2	Very low	37.8	Very low	80 Å²	80	130 Å²	130	83%	0.825	78%	0.784	S	S	*	*			trans	-175.1	79.6	170.2	0	0	0	0	0	118.6
528	L	35.9	Very low	37.4	Very low	156 Å²	156	132 Å²	132	82%	0.817	79%	0.787	S	S	*	*			trans	13.9	125.7	153.1	-61.3	168.2	0	0	0	122.8
529	F	32	Very low	37.3	Very low	186 Å²	186	133.3 Å²	133.3	82%	0.816	79%	0.785	S	S	*	*			trans	78.1	147.4	136.6	-87.3	-102.4	0	0	0	124.7
530	Q	35.3	Very low	37.3	Very low	177 Å²	177	134.3 Å²	134.3	83%	0.827	79%	0.786	S	S	*	*			trans	66.5	108.4	159.4	-85.6	167.7	-15.7	0	0	120.7
531	S	37.8	Very low	37.2	Very low	121 Å²	121	135 Å²	135	85%	0.846	78%	0.782	S	S	*	*			trans	-70.8	132.6	163.9	41.7	0	0	0	0	111.7
532	S	34.6	Very low	37.3	Very low	118 Å²	118	137.9 Å²	137.9	83%	0.825	79%	0.785	S	S	*	*			trans	-94.4	116.5	173.2	-71.4	0	0	0	0	111.6
533	A	43.4	Very low	37.5	Very low	108 Å²	108	136.1 Å²	136.1	89%	0.893	78%	0.781	S	S	*	*			trans	-86.6	105.1	158.8	0	0	0	0	0	108.7
534	H	33.1	Very low	37.5	Very low	166 Å²	166	140.5 Å²	140.5	77%	0.769	78%	0.784	S	S	*	*			trans	-94.1	168.8	178	-175.7	-96.6	0	0	0	110.8
535	L	38.9	Very low	37.8	Very low	130 Å²	130	140.4 Å²	140.4	68%	0.681	78%	0.78	S	S	*	*			trans	80.1	131.2	-174.9	-49.7	172.9	0	0	0	113.5
536	Q	35.8	Very low	37.9	Very low	156 Å²	156	141.8 Å²	141.8	73%	0.729	78%	0.784	S	S	*	*			cis	-143.8	136.7	-10	-100.4	164.8	19.8	0	0	108.7
537	K	36.8	Very low	38.5	Very low	201 Å²	201	141.7 Å²	141.7	87%	0.874	78%	0.778	S	S	*	*			trans	-131.1	103.2	166.1	-83.4	-178.9	177.1	171.4	0	109.4	L539	K537-L539 PolarHBondContact O-N 2.82Å
538	I	36.5	Very low	38.8	Very low	149 Å²	149	146.7 Å²	146.7	76%	0.764	80%	0.8	S	S	*	*			trans	-77.5	107.1	172.6	-62.7	177.1	0	0	0	108	V540	I538-V540 HydrophobicContact CG2-CG2 4.33Å; I538-V540 PolarHBondContact O-N 3.24Å
539	L	39.4	Very low	38.9	Very low	141 Å²	141	146.3 Å²	146.3	74%	0.738	80%	0.799	S	S	*	*			trans	-78.2	99.4	172.4	-76.5	168	0	0	0	109.8	K537 N541	K537-L539 PolarHBondContact O-N 2.82Å; L539-N541 PolarHBondContact O-N 3.47Å
540	V	40	Very low	39.3	Very low	117 Å²	117	144.2 Å²	144.2	71%	0.709	80%	0.799	S	S	*	*			trans	-76.1	79.9	165	-175	0	0	0	0	108.6	I538 H542	I538-V540 HydrophobicContact CG2-CG2 4.33Å; I538-V540 PolarHBondContact O-N 3.24Å; V540-H542 PolarHBondContact O-N 2.72Å
541	N	39.7	Very low	39.5	Very low	123 Å²	123	142.3 Å²	142.3	66%	0.658	80%	0.797	S	S	*	*			trans	-70.2	114.3	169.6	-75.1	-25.3	0	0	0	108.9	L539 V543	L539-N541 PolarHBondContact O-N 3.47Å; N541-V543 PolarHBondContact O-N 2.74Å
542	H	40	Very low	39.6	Very low	152 Å²	152	143.6 Å²	143.6	70%	0.704	79%	0.794	S	S	*	*			trans	-68.1	90.9	172.2	-95.7	-85	0	0	0	110.8	V540 Y544	V540-H542 PolarHBondContact O-N 2.72Å; H542-Y544 HydrophobicContact CB-CD2 4.47Å; H542-Y544 HydrophobicContact CB-CE2 4.28Å; H542-Y544 PolarHBondContact O-N 3.44Å
543	V	44.2	Very low	39.9	Very low	127 Å²	127	145.2 Å²	145.2	77%	0.77	79%	0.792	S	S	*	*			trans	-76.6	108.8	161.9	179.9	0	0	0	0	107.7	N541	N541-V543 PolarHBondContact O-N 2.74Å
544	Y	38	Very low	39.7	Very low	190 Å²	190	147.7 Å²	147.7	75%	0.745	79%	0.786	S	S	*	*			trans	-80.7	123.5	165.8	-82.9	-95.2	0	0	0	108.9	H542 T546	H542-Y544 HydrophobicContact CB-CD2 4.47Å; H542-Y544 HydrophobicContact CB-CE2 4.28Å; H542-Y544 PolarHBondContact O-N 3.44Å; Y544-T546 PolarHBondContact O-N 2.82Å
545	P	44.2	Very low	40.2	Very low	108 Å²	108	146.4 Å²	146.4	70%	0.701	79%	0.787	S	S	*	*			trans	-74.3	118.3	172.8	29.6	-32	0	0	0	109.9	V547	P545-V547 PolarHBondContact O-N 2.78Å
546	T	40.9	Very low	40.3	Very low	145 Å²	145	147.6 Å²	147.6	89%	0.89	80%	0.795	S	S	*	*			trans	-75	115.8	163.7	48.3	0	0	0	0	108.8	Y544	Y544-T546 PolarHBondContact O-N 2.82Å
547	V	47.3	Very low	40.6	Very low	124 Å²	124	146.9 Å²	146.9	75%	0.752	80%	0.8	S	S	*	*			trans	-97.6	118.8	176.7	-174.6	0	0	0	0	109.1	P545	P545-V547 PolarHBondContact O-N 2.78Å
548	S	40.4	Very low	41	Very low	186 Å²	186	142 Å²	142	100%	1.301	79%	0.794	S	S	*	*			trans	40.1	0	168.5	66.5	0	0	0	0	117.3

Retrieved 548 of 548 residues in 344.9 ms (Link to these results)

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