G4V7S8_SCHMA Loading...

Serine hydroxymethyltransferase

Interconversion of serine and glycine.

AlphaFold DB , UniProt , Accession G4V7S8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 504 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure 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	56.1	Low	67.1	Low	202 Å²	202	139.1 Å²	139.1	100%	0.995	66%	0.655	S	S	*	*				0	-37.2	0	-81.8	-169	-65	0	0	113.7	T4 K5	M1-T4 VanDerWaalsContact CA-OG1 3.3Å; M1-T4 WeakPolarHBondContact CA-OG1 3.46Å; M1-T4 PolarHBondContact O-OG1 3.11Å; M1-K5 PolarHBondContact O-N 3.32Å
2	E	60.7	Low	67.3	Low	143 Å²	143	134.8 Å²	134.8	67%	0.668	63%	0.634	S	S	*	*	H	α-helix	trans	-73.7	-38.2	-178.3	-151.1	172.3	171	0	0	113.4	T4 K5 R6	E2-T4 VanDerWaalsContact C-N 3.34Å; E2-T4 PolarHBondContact O-N 2.93Å; E2-K5 PolarHBondContact O-N 3.26Å; E2-R6 PolarHBondContact O-N 2.66Å; E2-R6 VanDerWaalsContact O-N 3.16Å
3	V	66.5	Low	66.8	Low	109 Å²	109	129.8 Å²	129.8	66%	0.661	62%	0.622	S	S	*	*	H	α-helix	trans	-61.7	-40.8	174.8	-179.1	0	0	0	0	111.7	R6 L7	V3-R6 PolarHBondContact O-N 3.48Å; V3-L7 HydrophobicContact CG1-CD1 4.21Å; V3-L7 PolarHBondContact O-N 3.33Å
4	T	68.5	Low	66.4	Low	92 Å²	92	125.1 Å²	125.1	56%	0.564	61%	0.609	S	S	*	*	H	α-helix	trans	-65.7	-37.1	177.3	34.5	0	0	0	0	112.7	M1 E2 W8	M1-T4 VanDerWaalsContact CA-OG1 3.3Å; M1-T4 WeakPolarHBondContact CA-OG1 3.46Å; M1-T4 PolarHBondContact O-OG1 3.11Å; E2-T4 VanDerWaalsContact C-N 3.34Å; E2-T4 PolarHBondContact O-N 2.93Å; T4-W8 WeakPolarHBondContact O-CB 3.4Å; T4-W8 PolarHBondContact O-N 3.29Å
5	K	69.7	Low	66	Low	168 Å²	168	124.1 Å²	124.1	73%	0.73	61%	0.607	S	S	*	*	H	α-helix	trans	-66.3	-42.2	174.6	-81.2	-173.1	175.9	-176.8	0	111.9	M1 E2 W8 H9	M1-K5 PolarHBondContact O-N 3.32Å; E2-K5 PolarHBondContact O-N 3.26Å; K5-W8 PolarHBondContact O-N 3.48Å; K5-H9 PolarHBondContact O-N 2.75Å
6	R	69.6	Low	65.5	Low	183 Å²	183	125.3 Å²	125.3	69%	0.691	61%	0.607	S	S	*	*	H	α-helix	trans	-64.1	-42.8	176.5	-70.8	-172.7	-171.6	-150.2	3.2	112.1	E2 V3 W8 H9 H10	E2-R6 PolarHBondContact O-N 2.66Å; E2-R6 VanDerWaalsContact O-N 3.16Å; V3-R6 PolarHBondContact O-N 3.48Å; R6-W8 VanDerWaalsContact C-N 3.34Å; R6-W8 PolarHBondContact O-N 3.23Å; R6-H9 PolarHBondContact O-N 2.72Å; R6-H10 PolarHBondContact O-N 3.48Å
7	L	68.4	Low	65.1	Low	109 Å²	109	121.1 Å²	121.1	57%	0.571	60%	0.598	S	S	*	*	H	α-helix	trans	-61.2	-42.4	175.4	-114.7	104	0	0	0	111.8	V3 H10 I11	V3-L7 HydrophobicContact CG1-CD1 4.21Å; V3-L7 PolarHBondContact O-N 3.33Å; L7-H10 PolarHBondContact O-N 3.27Å; L7-I11 VanDerWaalsContact O-CG1 3.27Å; L7-I11 WeakPolarHBondContact O-CG1 3.05Å; L7-I11 PolarHBondContact O-N 3.41Å
8	W	69.5	Low	64.5	Low	170 Å²	170	120.4 Å²	120.4	64%	0.644	60%	0.596	S	S	*	*	H	α-helix	trans	-65.6	-40.6	179.4	-135.6	82.2	0	0	0	112.2	T4 K5 R6 I11 Q12	T4-W8 WeakPolarHBondContact O-CB 3.4Å; T4-W8 PolarHBondContact O-N 3.29Å; K5-W8 PolarHBondContact O-N 3.48Å; R6-W8 VanDerWaalsContact C-N 3.34Å; R6-W8 PolarHBondContact O-N 3.23Å; W8-I11 PolarHBondContact O-N 2.82Å; W8-Q12 HydrophobicContact CE3-CG 3.88Å; W8-Q12 HydrophobicContact CZ3-CG 3.88Å; W8-Q12 PolarHBondContact O-N 3.23Å
9	H	69.8	Low	64	Low	129 Å²	129	119.3 Å²	119.3	60%	0.597	60%	0.601	S	S	*	*	H	α-helix	trans	-64	-41.7	174.7	-145.6	71.8	0	0	0	111.7	K5 R6 Q12 C13	K5-H9 PolarHBondContact O-N 2.75Å; R6-H9 PolarHBondContact O-N 2.72Å; H9-Q12 PolarHBondContact O-N 3.05Å; H9-C13 PolarHBondContact O-N 2.8Å
10	H	69	Low	63.5	Low	139 Å²	139	119.3 Å²	119.3	64%	0.644	60%	0.602	S	S	*	*	H	α-helix	trans	-64.5	-41.3	175.5	-128.6	54.1	0	0	0	112.4	R6 L7 C13 C14	R6-H10 PolarHBondContact O-N 3.48Å; L7-H10 PolarHBondContact O-N 3.27Å; H10-C13 PolarHBondContact O-N 2.86Å; H10-C14 WeakPolarHBondContact O-CB 3.37Å; H10-C14 PolarHBondContact O-N 2.95Å; H10-C14 PolarHBondContact O-SG 3.44Å; H10-C14 VanDerWaalsContact O-SG 3.41Å
11	I	70.6	Confident	63	Low	86 Å²	86	123.7 Å²	123.7	44%	0.441	61%	0.611	S	S	.	*	H	α-helix	trans	-63.9	-41.7	175.3	-69.6	165.9	0	0	0	110.8	L7 W8 C14 L15	L7-I11 VanDerWaalsContact O-CG1 3.27Å; L7-I11 WeakPolarHBondContact O-CG1 3.05Å; L7-I11 PolarHBondContact O-N 3.41Å; W8-I11 PolarHBondContact O-N 2.82Å; I11-C14 PolarHBondContact O-N 3.24Å; I11-L15 HydrophobicContact CG2-CD1 3.76Å; I11-L15 HydrophobicContact CG2-CG 4.29Å; I11-L15 WeakPolarHBondContact O-CB 3.33Å; I11-L15 WeakPolarHBondContact O-CG 3.48Å; I11-L15 PolarHBondContact O-N 3.43Å
12	Q	69	Low	62.8	Low	87 Å²	87	120.2 Å²	120.2	41%	0.407	60%	0.601	S	S	.	*	H	α-helix	trans	-64.9	-40.5	175.3	-77.7	-164.4	-44.5	0	0	112.6	W8 H9 L15 K16	W8-Q12 HydrophobicContact CE3-CG 3.88Å; W8-Q12 HydrophobicContact CZ3-CG 3.88Å; W8-Q12 PolarHBondContact O-N 3.23Å; H9-Q12 PolarHBondContact O-N 3.05Å; Q12-L15 PolarHBondContact O-N 2.87Å; Q12-K16 WeakPolarHBondContact O-CB 3.21Å; Q12-K16 WeakPolarHBondContact O-CG 3.39Å; Q12-K16 PolarHBondContact O-N 3.08Å
13	C	61.3	Low	62.3	Low	70 Å²	70	118.1 Å²	118.1	47%	0.473	60%	0.602	S	S	.	*	H	α-helix	trans	-61.3	-44.5	171.9	-79.5	0	0	0	0	111.6	H9 H10 K16 A17	H9-C13 PolarHBondContact O-N 2.8Å; H10-C13 PolarHBondContact O-N 2.86Å; C13-K16 PolarHBondContact O-N 3.36Å; C13-A17 VanDerWaalsContact O-CB 3.27Å; C13-A17 WeakPolarHBondContact O-CB 3.5Å; C13-A17 PolarHBondContact O-N 2.97Å
14	C	60.9	Low	61.7	Low	65 Å²	65	119.2 Å²	119.2	44%	0.439	61%	0.608	S	S	.	*	H	α-helix	trans	-64.6	-41.1	176.4	-74.7	0	0	0	0	112.3	H10 I11 A17 I18	H10-C14 WeakPolarHBondContact O-CB 3.37Å; H10-C14 PolarHBondContact O-N 2.95Å; H10-C14 PolarHBondContact O-SG 3.44Å; H10-C14 VanDerWaalsContact O-SG 3.41Å; I11-C14 PolarHBondContact O-N 3.24Å; C14-A17 CarbonylContact O-C 3.59Å; C14-A17 PolarHBondContact O-N 3.41Å; C14-I18 WeakPolarHBondContact O-CB 3.48Å; C14-I18 WeakPolarHBondContact O-CD1 3.45Å; C14-I18 WeakPolarHBondContact O-CG1 3.41Å; C14-I18 PolarHBondContact O-N 2.77Å
15	L	60.5	Low	61.1	Low	110 Å²	110	120 Å²	120	58%	0.576	62%	0.618	S	S	*	*	H	α-helix	trans	-66.3	-40.9	177	-75.3	167.9	0	0	0	111.8	I11 Q12 I18 S19	I11-L15 HydrophobicContact CG2-CD1 3.76Å; I11-L15 HydrophobicContact CG2-CG 4.29Å; I11-L15 WeakPolarHBondContact O-CB 3.33Å; I11-L15 WeakPolarHBondContact O-CG 3.48Å; I11-L15 PolarHBondContact O-N 3.43Å; Q12-L15 PolarHBondContact O-N 2.87Å; L15-I18 PolarHBondContact O-N 3.1Å; L15-S19 WeakPolarHBondContact O-CB 3.49Å; L15-S19 PolarHBondContact O-N 3.1Å
16	K	58.4	Low	60.5	Low	142 Å²	142	114.3 Å²	114.3	62%	0.617	60%	0.602	S	S	*	*	H	α-helix	trans	-62.1	-42.4	171.2	-78.8	-178.4	174.7	-176.9	0	111.3	Q12 C13 S19 L20	Q12-K16 WeakPolarHBondContact O-CB 3.21Å; Q12-K16 WeakPolarHBondContact O-CG 3.39Å; Q12-K16 PolarHBondContact O-N 3.08Å; C13-K16 PolarHBondContact O-N 3.36Å; K16-S19 PolarHBondContact O-N 3.28Å; K16-L20 WeakPolarHBondContact O-CD1 3.47Å; K16-L20 WeakPolarHBondContact O-CG 3.49Å; K16-L20 PolarHBondContact O-N 2.85Å
17	A	57.2	Low	60.3	Low	54 Å²	54	113.7 Å²	113.7	45%	0.446	60%	0.604	S	S	.	*	H	α-helix	trans	-68.6	-32.3	177.9	0	0	0	0	0	113.6	C13 C14 L20	C13-A17 VanDerWaalsContact O-CB 3.27Å; C13-A17 WeakPolarHBondContact O-CB 3.5Å; C13-A17 PolarHBondContact O-N 2.97Å; C14-A17 CarbonylContact O-C 3.59Å; C14-A17 PolarHBondContact O-N 3.41Å; A17-L20 PolarHBondContact O-N 3.3Å
18	I	55.5	Low	60.8	Low	109 Å²	109	119 Å²	119	56%	0.559	62%	0.618	S	S	*	*	H	α-helix	trans	-76.2	-37	176.5	-69.2	163.6	0	0	0	110.6	C14 L15 L20 R21	C14-I18 WeakPolarHBondContact O-CB 3.48Å; C14-I18 WeakPolarHBondContact O-CD1 3.45Å; C14-I18 WeakPolarHBondContact O-CG1 3.41Å; C14-I18 PolarHBondContact O-N 2.77Å; L15-I18 PolarHBondContact O-N 3.1Å; I18-L20 PolarHBondContact O-N 3.42Å; I18-R21 PolarHBondContact O-N 3.03Å
19	S	54.7	Low	61.3	Low	99 Å²	99	114.6 Å²	114.6	69%	0.692	63%	0.626	S	S	*	*	H	α-helix	trans	-62.5	-27	171.2	-177.1	0	0	0	0	112.9	L15 K16 R21	L15-S19 WeakPolarHBondContact O-CB 3.49Å; L15-S19 PolarHBondContact O-N 3.1Å; K16-S19 PolarHBondContact O-N 3.28Å; S19-R21 VanDerWaalsContact C-N 3.31Å; S19-R21 PolarHBondContact O-N 2.91Å
20	L	54.5	Low	62.2	Low	119 Å²	119	112.7 Å²	112.7	62%	0.623	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-77.3	-11.6	178	-82.3	156.6	0	0	0	113.8	K16 A17 I18 V22	K16-L20 WeakPolarHBondContact O-CD1 3.47Å; K16-L20 WeakPolarHBondContact O-CG 3.49Å; K16-L20 PolarHBondContact O-N 2.85Å; A17-L20 PolarHBondContact O-N 3.3Å; I18-L20 PolarHBondContact O-N 3.42Å; L20-V22 PolarHBondContact O-N 3.14Å
21	R	51.9	Low	63.1	Low	212 Å²	212	114.8 Å²	114.8	80%	0.8	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-85.2	-0.2	-176.4	-81.4	-174.7	174.8	-159.2	-1	115.6	I18 S19	I18-R21 PolarHBondContact O-N 3.03Å; S19-R21 VanDerWaalsContact C-N 3.31Å; S19-R21 PolarHBondContact O-N 2.91Å
22	V	53.2	Low	64.1	Low	130 Å²	130	116.7 Å²	116.7	79%	0.788	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-102.3	-0.3	-176.1	-176.2	0	0	0	0	114.1	L20	L20-V22 PolarHBondContact O-N 3.14Å
23	C	49.1	Very low	65.2	Low	99 Å²	99	115.5 Å²	115.5	67%	0.669	63%	0.631	S	S	*	*			trans	-126.6	79.1	176.1	-94.7	0	0	0	0	112.2	S25	C23-S25 VanDerWaalsContact C-N 3.3Å; C23-S25 PolarHBondContact O-N 3.14Å
24	T	54.9	Low	66.7	Low	131 Å²	131	117.1 Å²	117.1	80%	0.804	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	5.3	179.9	45.8	0	0	0	0	114.8
25	S	56.1	Low	68.3	Low	109 Å²	109	119.3 Å²	119.3	76%	0.762	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-19.4	180	62.6	0	0	0	0	115.3	C23 K27	C23-S25 VanDerWaalsContact C-N 3.3Å; C23-S25 PolarHBondContact O-N 3.14Å; S25-K27 PolarHBondContact O-N 2.63Å; S25-K27 VanDerWaalsContact O-N 3.15Å
26	A	56.6	Low	69.8	Low	48 Å²	48	121.3 Å²	121.3	40%	0.397	64%	0.642	S	S	.	*			trans	-91.2	78	-176.1	0	0	0	0	0	111.7	T30	A26-T30 HydrophobicContact CB-CG2 3.88Å; A26-T30 PolarHBondContact O-OG1 3.26Å; A26-T30 VanDerWaalsContact O-OG1 3.12Å
27	K	65.1	Low	71.6	Confident	171 Å²	171	117.9 Å²	117.9	74%	0.743	63%	0.63	S	S	*	*			trans	-74.8	-21.3	-175.6	-76.1	-176.1	177.6	178.2	0	115.1	S25	S25-K27 PolarHBondContact O-N 2.63Å; S25-K27 VanDerWaalsContact O-N 3.15Å
28	Y	78.7	Confident	73.4	Confident	219 Å²	219	119.5 Å²	119.5	86%	0.859	63%	0.63	S	S	*	*	S	Bend	trans	-118.3	132.9	-174.1	-59.8	-73	0	0	0	111.6	T30	Y28-T30 PolarHBondContact O-N 3.34Å
29	G	81.2	Confident	75.4	Confident	79 Å²	79	121 Å²	121	81%	0.814	64%	0.635	S	S	*	*	S	Bend	trans	85	-2.6	168	0	0	0	0	0	117.8
30	T	86.9	Confident	77.4	Confident	88 Å²	88	119.9 Å²	119.9	54%	0.54	62%	0.621	S	S	.	*			trans	-99.4	-12.1	-171.3	51.1	0	0	0	0	115.2	A26 Y28	A26-T30 HydrophobicContact CB-CG2 3.88Å; A26-T30 PolarHBondContact O-OG1 3.26Å; A26-T30 VanDerWaalsContact O-OG1 3.12Å; Y28-T30 PolarHBondContact O-N 3.34Å
31	R	89.6	Confident	79.4	Confident	183 Å²	183	116.1 Å²	116.1	69%	0.691	60%	0.598	S	S	*	*	S	Bend	trans	-81.4	133.6	-178.8	-63.7	-173.6	-176	-175.1	0.7	110.9	K36	R31-K36 HydrophobicContact CB-CB 4.29Å
32	M	91.1	Very high	81.5	Confident	126 Å²	126	111.5 Å²	111.5	62%	0.621	59%	0.586	S	S	*	*			trans	-63.2	152.6	172.9	-66.4	177.8	170	0	0	111.6	E34 I35 K36	M32-E34 PolarHBondContact O-N 2.68Å; M32-I35 PolarHBondContact O-N 2.73Å; M32-K36 WeakPolarHBondContact O-CB 3.33Å; M32-K36 PolarHBondContact O-N 3.41Å
33	L	92.5	Very high	83.6	Confident	63 Å²	63	109.3 Å²	109.3	33%	0.33	57%	0.569	S	S	.	*	H	α-helix	trans	-58.1	-46.1	-178.2	-177.3	63.1	0	0	0	112	I35 K36 D37 L40 W41 I44	L33-I35 PolarHBondContact O-N 2.87Å; L33-I35 VanDerWaalsContact O-N 3.09Å; L33-K36 PolarHBondContact O-N 3.47Å; L33-D37 HydrophobicContact CD1-CB 3.86Å; L33-D37 CarbonylContact O-C 3.58Å; L33-D37 PolarHBondContact O-N 3.31Å; L33-L40 HydrophobicContact CD1-CD2 4.08Å; L33-L40 HydrophobicContact CD1-CG 4.47Å; L33-L40 HydrophobicContact CD2-CD2 4.46Å; L33-L40 HydrophobicContact CD2-CG 4.35Å; L33-W41 HydrophobicContact CD2-CE3 4.3Å; L33-I44 HydrophobicContact CD2-CD1 3.57Å
34	E	93.3	Very high	85.9	Confident	103 Å²	103	107.5 Å²	107.5	48%	0.481	55%	0.552	S	S	.	*	H	α-helix	trans	-50.8	-36.2	177.6	-178.1	-177.9	-159.8	0	0	113.6	M32 I38 W41	M32-E34 PolarHBondContact O-N 2.68Å; E34-I38 HydrophobicContact CG-CD1 4.4Å; E34-W41 HydrophobicContact CB-CD2 3.96Å; E34-W41 HydrophobicContact CB-CG 4.01Å; E34-W41 HydrophobicContact CG-CD2 4.42Å; E34-W41 HydrophobicContact CG-CG 4.24Å
35	I	92.8	Very high	87.8	Confident	112 Å²	112	104.5 Å²	104.5	57%	0.574	53%	0.529	S	S	*	.	H	α-helix	trans	-87	-34.7	179.6	-62	172	0	0	0	111.4	M32 L33	M32-I35 PolarHBondContact O-N 2.73Å; L33-I35 PolarHBondContact O-N 2.87Å; L33-I35 VanDerWaalsContact O-N 3.09Å
36	K	92.9	Very high	89.8	Confident	152 Å²	152	107.8 Å²	107.8	66%	0.661	53%	0.525	S	S	*	.	H	α-helix	trans	-85	-35.3	-171.2	-173.6	174.9	175.7	-173.4	0	112.8	R31 M32 L33	R31-K36 HydrophobicContact CB-CB 4.29Å; M32-K36 WeakPolarHBondContact O-CB 3.33Å; M32-K36 PolarHBondContact O-N 3.41Å; L33-K36 PolarHBondContact O-N 3.47Å
37	D	95	Very high	91.7	Very high	69 Å²	69	109 Å²	109	37%	0.369	52%	0.522	S	S	.	.			trans	-151.5	81.9	-175.2	-170.2	-16.8	0	0	0	109.4	L33 E39 L40 W41	L33-D37 HydrophobicContact CD1-CB 3.86Å; L33-D37 CarbonylContact O-C 3.58Å; L33-D37 PolarHBondContact O-N 3.31Å; D37-E39 VanDerWaalsContact C-N 3.29Å; D37-E39 PolarHBondContact O-N 2.92Å; D37-L40 HydrophobicContact CB-CB 4.34Å; D37-L40 WeakPolarHBondContact OD1-CB 3.36Å; D37-L40 PolarHBondContact OD1-N 3.24Å; D37-L40 VanDerWaalsContact OD1-N 3.09Å; D37-W41 PolarHBondContact O-N 2.92Å; D37-W41 VanDerWaalsContact O-N 3.12Å
38	I	95.7	Very high	93.1	Very high	88 Å²	88	102.6 Å²	102.6	45%	0.451	49%	0.494	S	S	.	.	H	α-helix	trans	-65.6	-32.4	-177.7	-172.7	61.6	0	0	0	112.2	E34 W41 E42	E34-I38 HydrophobicContact CG-CD1 4.4Å; I38-W41 HydrophobicContact CD1-CB 4.5Å; I38-W41 WeakPolarHBondContact O-CB 3.35Å; I38-W41 PolarHBondContact O-N 3.35Å; I38-E42 HydrophobicContact CD1-CG 4.43Å; I38-E42 HydrophobicContact CG1-CG 4.38Å; I38-E42 WeakPolarHBondContact O-CG 3.35Å; I38-E42 PolarHBondContact O-N 3.46Å
39	E	98	Very high	93.9	Very high	141 Å²	141	95.7 Å²	95.7	66%	0.659	48%	0.478	S	S	*	.	H	α-helix	trans	-64	-48.1	179.3	-176.6	178.5	173.5	0	0	110.5	D37 W41 E42 L43	D37-E39 VanDerWaalsContact C-N 3.29Å; D37-E39 PolarHBondContact O-N 2.92Å; E39-W41 VanDerWaalsContact C-N 3.34Å; E39-W41 PolarHBondContact O-N 2.85Å; E39-E42 PolarHBondContact O-N 3.37Å; E39-L43 WeakPolarHBondContact O-CG 3.43Å; E39-L43 PolarHBondContact O-N 2.91Å; E39-L43 VanDerWaalsContact O-N 3.17Å
40	L	97	Very high	94.7	Very high	76 Å²	76	95.4 Å²	95.4	40%	0.398	45%	0.452	S	S	.	.	H	α-helix	trans	-64.9	-39.4	175.6	-178.4	55.6	0	0	0	111.9	L33 D37 L43 I44	L33-L40 HydrophobicContact CD1-CD2 4.08Å; L33-L40 HydrophobicContact CD1-CG 4.47Å; L33-L40 HydrophobicContact CD2-CD2 4.46Å; L33-L40 HydrophobicContact CD2-CG 4.35Å; D37-L40 HydrophobicContact CB-CB 4.34Å; D37-L40 WeakPolarHBondContact OD1-CB 3.36Å; D37-L40 PolarHBondContact OD1-N 3.24Å; D37-L40 VanDerWaalsContact OD1-N 3.09Å; L40-L43 PolarHBondContact O-N 3.26Å; L40-I44 HydrophobicContact CD1-CD1 4.46Å; L40-I44 HydrophobicContact CG-CD1 4.25Å; L40-I44 WeakPolarHBondContact O-CG1 3.35Å; L40-I44 PolarHBondContact O-N 2.95Å; L40-I44 VanDerWaalsContact O-N 3.09Å
41	W	95.6	Very high	95.1	Very high	39 Å²	39	93.9 Å²	93.9	15%	0.148	44%	0.439	C	S	.	.	H	α-helix	trans	-57.9	-48.3	175.4	176.9	-108.2	0	0	0	112.2	L33 E34 D37 I38 E39 L43 I44 Q45 D503 I504	L33-W41 HydrophobicContact CD2-CE3 4.3Å; E34-W41 HydrophobicContact CB-CD2 3.96Å; E34-W41 HydrophobicContact CB-CG 4.01Å; E34-W41 HydrophobicContact CG-CD2 4.42Å; E34-W41 HydrophobicContact CG-CG 4.24Å; D37-W41 PolarHBondContact O-N 2.92Å; D37-W41 VanDerWaalsContact O-N 3.12Å; I38-W41 HydrophobicContact CD1-CB 4.5Å; I38-W41 WeakPolarHBondContact O-CB 3.35Å; I38-W41 PolarHBondContact O-N 3.35Å; E39-W41 VanDerWaalsContact C-N 3.34Å; E39-W41 PolarHBondContact O-N 2.85Å; W41-L43 VanDerWaalsContact C-N 3.3Å; W41-L43 PolarHBondContact O-N 3.09Å; W41-I44 PolarHBondContact O-N 2.96Å; W41-I44 VanDerWaalsContact O-N 3.15Å; W41-Q45 HydrophobicContact CD2-CG 4.45Å; W41-Q45 HydrophobicContact CZ2-CG 4.39Å; W41-Q45 WeakPolarHBondContact O-CG 3.45Å; W41-Q45 PolarHBondContact O-N 3.17Å; W41-D503 WeakPolarHBondContact CH2-O 3.5Å; W41-I504 HydrophobicContact CH2-CB 4.19Å; W41-I504 HydrophobicContact CH2-CG1 3.93Å; W41-I504 HydrophobicContact CH2-CG2 4.26Å; W41-I504 HydrophobicContact CZ3-CB 4.26Å; W41-I504 HydrophobicContact CZ3-CD1 4.45Å; W41-I504 HydrophobicContact CZ3-CG1 3.9Å; W41-I504 HydrophobicContact CZ3-CG2 3.97Å
42	E	96.8	Very high	95.5	Very high	116 Å²	116	90.7 Å²	90.7	54%	0.542	43%	0.427	S	S	.	.	H	α-helix	trans	-61.5	-36.5	178.3	-74.4	179.2	174.2	0	0	112.6	I38 E39 Q45 R46	I38-E42 HydrophobicContact CD1-CG 4.43Å; I38-E42 HydrophobicContact CG1-CG 4.38Å; I38-E42 WeakPolarHBondContact O-CG 3.35Å; I38-E42 PolarHBondContact O-N 3.46Å; E39-E42 PolarHBondContact O-N 3.37Å; E42-Q45 PolarHBondContact O-N 3.1Å; E42-R46 WeakPolarHBondContact O-CG 3.38Å; E42-R46 PolarHBondContact O-N 3.4Å
43	L	97.8	Very high	95.8	Very high	83 Å²	83	85.2 Å²	85.2	44%	0.435	40%	0.401	S	S	.	.	H	α-helix	trans	-65.4	-40.2	174.6	-68.7	175.3	0	0	0	112.3	E39 L40 W41 R46 E47	E39-L43 WeakPolarHBondContact O-CG 3.43Å; E39-L43 PolarHBondContact O-N 2.91Å; E39-L43 VanDerWaalsContact O-N 3.17Å; L40-L43 PolarHBondContact O-N 3.26Å; W41-L43 VanDerWaalsContact C-N 3.3Å; W41-L43 PolarHBondContact O-N 3.09Å; L43-R46 PolarHBondContact O-N 3.49Å; L43-E47 PolarHBondContact O-N 3.49Å
44	I	96.4	Very high	96.1	Very high	62 Å²	62	82.3 Å²	82.3	32%	0.318	39%	0.386	S	S	.	.	H	α-helix	trans	-64.8	-44.1	175.8	-66.8	168.3	0	0	0	110.5	L33 L40 W41 R46 E47 K48 I504	L33-I44 HydrophobicContact CD2-CD1 3.57Å; L40-I44 HydrophobicContact CD1-CD1 4.46Å; L40-I44 HydrophobicContact CG-CD1 4.25Å; L40-I44 WeakPolarHBondContact O-CG1 3.35Å; L40-I44 PolarHBondContact O-N 2.95Å; L40-I44 VanDerWaalsContact O-N 3.09Å; W41-I44 PolarHBondContact O-N 2.96Å; W41-I44 VanDerWaalsContact O-N 3.15Å; I44-R46 VanDerWaalsContact C-N 3.31Å; I44-R46 PolarHBondContact O-N 3.2Å; I44-E47 PolarHBondContact O-N 3.47Å; I44-E47 VanDerWaalsContact O-N 3.16Å; I44-K48 PolarHBondContact O-N 2.92Å; I44-I504 HydrophobicContact CG2-CG2 3.29Å
45	Q	95.6	Very high	96.3	Very high	68 Å²	68	77.4 Å²	77.4	32%	0.318	36%	0.363	S	S	.	.	H	α-helix	trans	-58.4	-42.4	175.6	-70.1	-58.2	-46.7	0	0	112.1	W41 E42 K48 S49 I504	W41-Q45 HydrophobicContact CD2-CG 4.45Å; W41-Q45 HydrophobicContact CZ2-CG 4.39Å; W41-Q45 WeakPolarHBondContact O-CG 3.45Å; W41-Q45 PolarHBondContact O-N 3.17Å; E42-Q45 PolarHBondContact O-N 3.1Å; Q45-K48 PolarHBondContact O-N 3.26Å; Q45-S49 PolarHBondContact O-N 3Å; Q45-I504 VanDerWaalsContact CD-O 3.31Å; Q45-I504 PolarHBondContact NE2-O 3.37Å; Q45-I504 PolarHBondContact OE1-O 3.15Å
46	R	96.4	Very high	96.6	Very high	178 Å²	178	72.2 Å²	72.2	67%	0.672	34%	0.337	S	S	*	.	H	α-helix	trans	-62.5	-42	175.1	-78.2	172.7	45.4	177.5	-7.7	112.6	E42 L43 I44 S49 R50	E42-R46 WeakPolarHBondContact O-CG 3.38Å; E42-R46 PolarHBondContact O-N 3.4Å; L43-R46 PolarHBondContact O-N 3.49Å; I44-R46 VanDerWaalsContact C-N 3.31Å; I44-R46 PolarHBondContact O-N 3.2Å; R46-S49 WeakPolarHBondContact O-CB 3.34Å; R46-S49 PolarHBondContact O-N 3.02Å; R46-R50 PolarHBondContact O-N 3.24Å
47	E	97	Very high	96.9	Very high	72 Å²	72	65 Å²	65	34%	0.336	31%	0.305	S	S	.	.	H	α-helix	trans	-65.9	-41	177.3	174.1	54.7	-163.3	0	0	111.8	L43 I44 S49 R50 Q51	L43-E47 PolarHBondContact O-N 3.49Å; I44-E47 PolarHBondContact O-N 3.47Å; I44-E47 VanDerWaalsContact O-N 3.16Å; E47-S49 VanDerWaalsContact C-N 3.31Å; E47-S49 PolarHBondContact O-N 3.47Å; E47-R50 VanDerWaalsContact CD-NE 3.34Å; E47-R50 WeakPolarHBondContact O-CB 3.31Å; E47-R50 PolarHBondContact O-N 3.16Å; E47-R50 IonicContact OE1-CZ 3.76Å; E47-R50 IonicContact OE1-NE 3.32Å; E47-R50 PolarHBondContact OE1-NE 3.31Å; E47-R50 VanDerWaalsContact OE1-NE 3.13Å; E47-R50 IonicContact OE1-NH2 2.69Å; E47-R50 PolarHBondContact OE1-NH2 2.89Å; E47-R50 WeakPolarHBondContact OE2-CD 3.45Å; E47-R50 IonicContact OE2-CZ 3.19Å; E47-R50 IonicContact OE2-NE 3.65Å; E47-R50 PolarHBondContact OE2-NE 3.45Å; E47-R50 IonicContact OE2-NH2 2.81Å; E47-Q51 WeakPolarHBondContact O-CG 3.27Å; E47-Q51 PolarHBondContact O-N 3.48Å; E47-Q51 WeakPolarHBondContact OE1-CG 2.86Å; E47-Q51 PolarHBondContact OE1-NE2 3.13Å
48	K	95.3	Very high	97.1	Very high	37 Å²	37	63.1 Å²	63.1	16%	0.161	30%	0.295	C	S	.	.	H	α-helix	trans	-58.7	-45.1	172.2	179.8	172.8	-171.1	175.3	0	111.9	I44 Q45 R50 Q51 R52 M501 E502 I504	I44-K48 PolarHBondContact O-N 2.92Å; Q45-K48 PolarHBondContact O-N 3.26Å; K48-R50 VanDerWaalsContact C-N 3.31Å; K48-R50 PolarHBondContact O-N 2.75Å; K48-Q51 PolarHBondContact O-N 2.94Å; K48-R52 WeakPolarHBondContact O-CB 3.3Å; K48-R52 PolarHBondContact O-N 2.99Å; K48-M501 PolarHBondContact NZ-O 2.9Å; K48-E502 VanDerWaalsContact NZ-C 3.26Å; K48-E502 PolarHBondContact NZ-O 2.97Å; K48-I504 WeakPolarHBondContact CD-O 3.3Å; K48-I504 WeakPolarHBondContact CD-OXT 3.31Å; K48-I504 VanDerWaalsContact CE-OXT 3.23Å; K48-I504 WeakPolarHBondContact CE-OXT 3.13Å; K48-I504 PolarHBondContact NZ-OXT 2.68Å
49	S	95.2	Very high	97.2	Very high	74 Å²	74	58.9 Å²	58.9	52%	0.517	27%	0.273	S	S	.	.	H	α-helix	trans	-60	-41.5	176.3	-174.4	0	0	0	0	111.7	Q45 R46 E47 R52 S53	Q45-S49 PolarHBondContact O-N 3Å; R46-S49 WeakPolarHBondContact O-CB 3.34Å; R46-S49 PolarHBondContact O-N 3.02Å; E47-S49 VanDerWaalsContact C-N 3.31Å; E47-S49 PolarHBondContact O-N 3.47Å; S49-R52 PolarHBondContact O-N 2.9Å; S49-S53 WeakPolarHBondContact O-CB 3.34Å; S49-S53 PolarHBondContact O-N 2.96Å; S49-S53 PolarHBondContact O-OG 2.99Å
50	R	97.2	Very high	97.2	Very high	73 Å²	73	53.8 Å²	53.8	28%	0.275	25%	0.253	S	S	.	.	H	α-helix	trans	-57.8	-52.6	173.4	-173.6	-156.5	67.7	82	-5.3	111.1	R46 E47 K48 R52 S53 S54 E56	R46-R50 PolarHBondContact O-N 3.24Å; E47-R50 VanDerWaalsContact CD-NE 3.34Å; E47-R50 WeakPolarHBondContact O-CB 3.31Å; E47-R50 PolarHBondContact O-N 3.16Å; E47-R50 IonicContact OE1-CZ 3.76Å; E47-R50 IonicContact OE1-NE 3.32Å; E47-R50 PolarHBondContact OE1-NE 3.31Å; E47-R50 VanDerWaalsContact OE1-NE 3.13Å; E47-R50 IonicContact OE1-NH2 2.69Å; E47-R50 PolarHBondContact OE1-NH2 2.89Å; E47-R50 WeakPolarHBondContact OE2-CD 3.45Å; E47-R50 IonicContact OE2-CZ 3.19Å; E47-R50 IonicContact OE2-NE 3.65Å; E47-R50 PolarHBondContact OE2-NE 3.45Å; E47-R50 IonicContact OE2-NH2 2.81Å; K48-R50 VanDerWaalsContact C-N 3.31Å; K48-R50 PolarHBondContact O-N 2.75Å; R50-R52 VanDerWaalsContact C-N 3.34Å; R50-R52 PolarHBondContact O-N 3.38Å; R50-S53 PolarHBondContact O-N 3Å; R50-S53 PolarHBondContact O-OG 3.12Å; R50-S54 WeakPolarHBondContact O-CB 3.43Å; R50-S54 PolarHBondContact O-N 2.66Å; R50-S54 VanDerWaalsContact O-N 3.09Å; R50-S54 PolarHBondContact O-OG 3.19Å; R50-E56 IonicContact CZ-OE2 2.8Å; R50-E56 IonicContact NH1-OE2 3.89Å; R50-E56 PolarHBondContact NH1-OE2 2.95Å; R50-E56 IonicContact NH2-OE2 3.61Å; R50-E56 PolarHBondContact NH2-OE2 2.97Å
51	Q	97.2	Very high	97.2	Very high	56 Å²	56	53.3 Å²	53.3	26%	0.262	25%	0.249	S	C	.	.	H	α-helix	trans	-60.9	-40.9	-178.8	-70.8	177.9	15.1	0	0	112.5	E47 K48 F63 R434 I498	E47-Q51 WeakPolarHBondContact O-CG 3.27Å; E47-Q51 PolarHBondContact O-N 3.48Å; E47-Q51 WeakPolarHBondContact OE1-CG 2.86Å; E47-Q51 PolarHBondContact OE1-NE2 3.13Å; K48-Q51 PolarHBondContact O-N 2.94Å; Q51-F63 HydrophobicContact CB-CE1 4.08Å; Q51-F63 HydrophobicContact CG-CE1 4.3Å; Q51-R434 PolarHBondContact O-NH1 3.27Å; Q51-I498 HydrophobicContact CB-CD1 3.71Å
52	R	96.7	Very high	97.4	Very high	116 Å²	116	52.8 Å²	52.8	44%	0.438	25%	0.249	S	C	.	.	H	α-helix	trans	-64.8	-42.7	178.6	-175.6	177.5	-176.5	120.9	5.3	112.1	K48 S49 R50 R434 A493 I498	K48-R52 WeakPolarHBondContact O-CB 3.3Å; K48-R52 PolarHBondContact O-N 2.99Å; S49-R52 PolarHBondContact O-N 2.9Å; R50-R52 VanDerWaalsContact C-N 3.34Å; R50-R52 PolarHBondContact O-N 3.38Å; R52-R434 PolarHBondContact O-NH1 3.42Å; R52-R434 PolarHBondContact O-NH2 3.03Å; R52-A493 CarbonylContact O-C 3.57Å; R52-I498 HydrophobicContact CB-CD1 4.15Å
53	S	97.3	Very high	97.4	Very high	12 Å²	12	48.1 Å²	48.1	8%	0.084	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	8.6	-171.8	64.2	0	0	0	0	114.3	S49 R50 R486 A490	S49-S53 WeakPolarHBondContact O-CB 3.34Å; S49-S53 PolarHBondContact O-N 2.96Å; S49-S53 PolarHBondContact O-OG 2.99Å; R50-S53 PolarHBondContact O-N 3Å; R50-S53 PolarHBondContact O-OG 3.12Å; S53-R486 PolarHBondContact O-NH1 3.39Å; S53-R486 PolarHBondContact OG-NH2 2.67Å; S53-A490 WeakPolarHBondContact O-CA 3.35Å
54	S	98.4	Very high	97.4	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.014	22%	0.217	C	C	.	.	S	Bend	trans	-120	153.9	-178.4	-53.5	0	0	0	0	112.2	R50 E56 G404	R50-S54 WeakPolarHBondContact O-CB 3.43Å; R50-S54 PolarHBondContact O-N 2.66Å; R50-S54 VanDerWaalsContact O-N 3.09Å; R50-S54 PolarHBondContact O-OG 3.19Å; S54-E56 PolarHBondContact O-N 3.49Å; S54-G404 CarbonylContact C-O 3.58Å; S54-G404 VanDerWaalsContact CA-O 3.29Å; S54-G404 WeakPolarHBondContact CA-O 3.15Å; S54-G404 WeakPolarHBondContact CB-O 3.4Å
55	L	98.7	Very high	97.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	96.3	166.5	-62.8	179.4	0	0	0	108.9	L57 G404 I405 V406 L431 F436 A444 F447 V489 F492 A493	L55-L57 PolarHBondContact O-N 2.96Å; L55-G404 PolarHBondContact N-O 3.24Å; L55-I405 HydrophobicContact CD1-CG1 4.41Å; L55-V406 PolarHBondContact O-N 2.72Å; L55-L431 HydrophobicContact CB-CD1 4.23Å; L55-L431 HydrophobicContact CD2-CD1 4.04Å; L55-L431 HydrophobicContact CD2-CD2 4.35Å; L55-F436 HydrophobicContact CD2-CE1 3.77Å; L55-F436 HydrophobicContact CD2-CZ 3.7Å; L55-A444 HydrophobicContact CD1-CB 4.35Å; L55-F447 HydrophobicContact CD1-CB 4.46Å; L55-F447 HydrophobicContact CD1-CD2 3.95Å; L55-V489 HydrophobicContact CD1-CG1 4.16Å; L55-V489 HydrophobicContact CG-CG1 3.97Å; L55-F492 HydrophobicContact CD2-CD1 4.07Å; L55-F492 HydrophobicContact CD2-CE1 4.28Å; L55-A493 HydrophobicContact CD2-CB 4.04Å
56	E	98.6	Very high	97.4	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.009	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	96.7	179.9	-165.3	56.5	-104.5	0	0	110.5	R50 S54 I58 E61 F63 V406 A430	R50-E56 IonicContact CZ-OE2 2.8Å; R50-E56 IonicContact NH1-OE2 3.89Å; R50-E56 PolarHBondContact NH1-OE2 2.95Å; R50-E56 IonicContact NH2-OE2 3.61Å; R50-E56 PolarHBondContact NH2-OE2 2.97Å; S54-E56 PolarHBondContact O-N 3.49Å; E56-I58 WeakPolarHBondContact OE1-CG1 3.44Å; E56-E61 HydrophobicContact CG-CB 4.34Å; E56-F63 HydrophobicContact CB-CZ 4.36Å; E56-V406 WeakPolarHBondContact OE1-CB 3.31Å; E56-V406 WeakPolarHBondContact OE1-CG1 3.36Å; E56-A430 HydrophobicContact CB-CB 4.1Å; E56-A430 HydrophobicContact CG-CB 4.06Å
57	L	98.7	Very high	97.5	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.191	C	C	.	.			trans	-108.2	8.1	-175.8	-64.3	170.2	0	0	0	112.3	L55 A59 I405 V406 I426 G427 L431 F441 I448	L55-L57 PolarHBondContact O-N 2.96Å; L57-A59 PolarHBondContact O-N 3.35Å; L57-A59 VanDerWaalsContact O-N 3.17Å; L57-I405 HydrophobicContact CD1-CG2 3.88Å; L57-V406 CarbonylContact C-O 3.55Å; L57-V406 WeakPolarHBondContact CA-O 3.45Å; L57-V406 WeakPolarHBondContact CB-O 3.43Å; L57-V406 PolarHBondContact N-O 2.97Å; L57-I426 HydrophobicContact CB-CB 4.18Å; L57-I426 HydrophobicContact CB-CG2 4.18Å; L57-I426 CarbonylContact O-C 3.56Å; L57-I426 VanDerWaalsContact O-CA 3.25Å; L57-I426 WeakPolarHBondContact O-CA 3.4Å; L57-G427 PolarHBondContact O-N 3.16Å; L57-L431 HydrophobicContact CD2-CD1 3.63Å; L57-L431 HydrophobicContact CG-CD1 4.28Å; L57-F441 HydrophobicContact CD2-CE1 4.05Å; L57-I448 HydrophobicContact CD1-CD1 3.8Å; L57-I448 HydrophobicContact CD1-CG1 4.25Å
58	I	98.6	Very high	97.5	Very high	29 Å²	29	34 Å²	34	15%	0.149	18%	0.175	C	C	.	.			trans	-66.5	116.9	173	-64.9	177.6	0	0	0	109.2	E56 S60 E61 V406	E56-I58 WeakPolarHBondContact OE1-CG1 3.44Å; I58-S60 WeakPolarHBondContact CG2-OG 3.49Å; I58-S60 PolarHBondContact O-N 2.99Å; I58-E61 HydrophobicContact CB-CB 4.26Å; I58-E61 HydrophobicContact CB-CG 3.98Å; I58-E61 HydrophobicContact CG2-CB 4.4Å; I58-E61 HydrophobicContact CG2-CG 3.8Å; I58-E61 PolarHBondContact O-N 3.4Å; I58-V406 HydrophobicContact CD1-CG1 3.72Å; I58-V406 HydrophobicContact CG1-CG1 4.11Å; I58-V406 PolarHBondContact N-O 3.48Å
59	A	98.1	Very high	97.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-20.9	-174.2	0	0	0	0	0	115.2	L57 H373 F374 R425	L57-A59 PolarHBondContact O-N 3.35Å; L57-A59 VanDerWaalsContact O-N 3.17Å; A59-H373 PolarHBondContact O-CD2 2.8Å; A59-H373 PolarHBondContact O-NE2 2.97Å; A59-H373 VanDerWaalsContact O-NE2 3.14Å; A59-F374 HydrophobicContact CB-CB 3.56Å; A59-F374 HydrophobicContact CB-CD1 4.37Å; A59-F374 HydrophobicContact CB-CG 4.08Å; A59-R425 HydrophobicContact CB-CG 4.27Å
60	S	98.1	Very high	97.7	Very high	34 Å²	34	36.6 Å²	36.6	24%	0.238	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-0.5	178.8	48.7	0	0	0	0	114.4	I58	I58-S60 WeakPolarHBondContact CG2-OG 3.49Å; I58-S60 PolarHBondContact O-N 2.99Å
61	E	98.4	Very high	97.8	Very high	66 Å²	66	34.6 Å²	34.6	31%	0.308	18%	0.177	S	C	.	.			trans	-102.2	154.3	-179	-68.5	-168.3	-175.4	0	0	112.4	E56 I58	E56-E61 HydrophobicContact CG-CB 4.34Å; I58-E61 HydrophobicContact CB-CB 4.26Å; I58-E61 HydrophobicContact CB-CG 3.98Å; I58-E61 HydrophobicContact CG2-CB 4.4Å; I58-E61 HydrophobicContact CG2-CG 3.8Å; I58-E61 PolarHBondContact O-N 3.4Å
62	N	98.4	Very high	97.8	Very high	28 Å²	28	34.4 Å²	34.4	15%	0.15	18%	0.178	C	C	.	.			trans	-161.7	166.4	177.5	-147.4	-23.6	0	0	0	109.6	K271 R274 Y343 T433	N62-K271 WeakPolarHBondContact CB-O 3.47Å; N62-K271 PolarHBondContact ND2-O 3.41Å; N62-R274 HydrophobicContact CB-CG 4.48Å; N62-Y343 PolarHBondContact ND2-OH 3.37Å; N62-T433 WeakPolarHBondContact OD1-CB 3.05Å; N62-T433 PolarHBondContact OD1-OG1 3.11Å
63	F	97.8	Very high	97.8	Very high	17 Å²	17	32.3 Å²	32.3	8%	0.075	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-102.1	126.1	174.6	-57.2	-74.6	0	0	0	109.9	Q51 E56 R274 A430 T433 R434 I498 P499	Q51-F63 HydrophobicContact CB-CE1 4.08Å; Q51-F63 HydrophobicContact CG-CE1 4.3Å; E56-F63 HydrophobicContact CB-CZ 4.36Å; F63-R274 VanDerWaalsContact O-CD 3.26Å; F63-R274 WeakPolarHBondContact O-CD 3.33Å; F63-R274 WeakPolarHBondContact O-CG 3.49Å; F63-A430 HydrophobicContact CD2-CB 4.21Å; F63-A430 WeakPolarHBondContact CD2-O 3.48Å; F63-A430 HydrophobicContact CE2-CB 3.8Å; F63-A430 WeakPolarHBondContact CE2-O 3.48Å; F63-T433 HydrophobicContact CB-CG2 3.96Å; F63-T433 HydrophobicContact CD2-CG2 4.31Å; F63-R434 HydrophobicContact CD2-CG 3.81Å; F63-R434 HydrophobicContact CE2-CG 3.63Å; F63-I498 HydrophobicContact CE1-CD1 4.4Å; F63-P499 HydrophobicContact CB-CB 4.16Å; F63-P499 HydrophobicContact CB-CG 4.02Å
64	V	97.2	Very high	97.8	Very high	37 Å²	37	33.3 Å²	33.3	22%	0.224	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-75.2	158.5	174.8	-64	0	0	0	0	111.2	I68 L69 G275	V64-I68 HydrophobicContact CB-CB 4.1Å; V64-I68 HydrophobicContact CB-CD1 4.13Å; V64-I68 HydrophobicContact CB-CG2 3.82Å; V64-I68 HydrophobicContact CG1-CD1 4.4Å; V64-I68 HydrophobicContact CG1-CG2 4Å; V64-I68 HydrophobicContact CG2-CG2 4.26Å; V64-L69 HydrophobicContact CG2-CD1 4.35Å; V64-L69 HydrophobicContact CG2-CD2 3.58Å; V64-L69 HydrophobicContact CG2-CG 3.79Å; V64-G275 WeakPolarHBondContact CG1-O 3.13Å
65	S	96.5	Very high	97.8	Very high	18 Å²	18	37.9 Å²	37.9	13%	0.126	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-75.7	163.7	173.3	63.2	0	0	0	0	112.2	S67 I68 L69 E334	S65-S67 VanDerWaalsContact C-N 3.32Å; S65-S67 PolarHBondContact O-N 3.42Å; S65-S67 PolarHBondContact OG-OG 3.3Å; S65-I68 PolarHBondContact O-N 3.29Å; S65-I68 WeakPolarHBondContact OG-CD1 3.42Å; S65-I68 WeakPolarHBondContact OG-CG1 3.28Å; S65-I68 PolarHBondContact OG-N 3.45Å; S65-L69 PolarHBondContact O-N 2.8Å; S65-E334 WeakPolarHBondContact CB-OE1 3.28Å; S65-E334 WeakPolarHBondContact CB-OE2 2.91Å; S65-E334 VanDerWaalsContact OG-CD 3.25Å; S65-E334 PolarHBondContact OG-OE1 3.49Å; S65-E334 PolarHBondContact OG-OE2 3.1Å
66	Q	96.4	Very high	97.8	Very high	68 Å²	68	39.2 Å²	39.2	32%	0.318	24%	0.237	S	C	.	.	H	α-helix	trans	-57.5	-43	172.9	178.3	60.1	24.4	0	0	112.2	I68 L69 E70 G500 M501	Q66-I68 VanDerWaalsContact C-N 3.29Å; Q66-I68 PolarHBondContact O-N 3.34Å; Q66-L69 WeakPolarHBondContact O-CB 3.44Å; Q66-L69 PolarHBondContact O-N 2.68Å; Q66-E70 HydrophobicContact CG-CG 4.49Å; Q66-E70 WeakPolarHBondContact CG-OE1 3.41Å; Q66-E70 PolarHBondContact NE2-OE1 3.44Å; Q66-E70 WeakPolarHBondContact O-CG 3.49Å; Q66-E70 PolarHBondContact O-N 3.5Å; Q66-G500 VanDerWaalsContact OE1-C 3.23Å; Q66-G500 PolarHBondContact OE1-O 3.48Å; Q66-M501 VanDerWaalsContact OE1-CA 3.28Å; Q66-M501 VanDerWaalsContact OE1-N 3.14Å
67	S	96.5	Very high	97.8	Very high	45 Å²	45	43.4 Å²	43.4	32%	0.315	26%	0.262	S	S	.	.	H	α-helix	trans	-58.1	-38.4	177.4	26.7	0	0	0	0	112.8	S65 C71 E334	S65-S67 VanDerWaalsContact C-N 3.32Å; S65-S67 PolarHBondContact O-N 3.42Å; S65-S67 PolarHBondContact OG-OG 3.3Å; S67-C71 PolarHBondContact O-N 2.67Å; S67-C71 VanDerWaalsContact O-N 3.16Å; S67-C71 PolarHBondContact O-SG 3.28Å; S67-C71 VanDerWaalsContact O-SG 3.39Å; S67-E334 PolarHBondContact OG-OE1 3.44Å
68	I	98	Very high	97.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.4	-43.8	174.8	-71.8	165.7	0	0	0	110.7	V64 S65 Q66 C71 L72 R274 P276 A327 M331	V64-I68 HydrophobicContact CB-CB 4.1Å; V64-I68 HydrophobicContact CB-CD1 4.13Å; V64-I68 HydrophobicContact CB-CG2 3.82Å; V64-I68 HydrophobicContact CG1-CD1 4.4Å; V64-I68 HydrophobicContact CG1-CG2 4Å; V64-I68 HydrophobicContact CG2-CG2 4.26Å; S65-I68 PolarHBondContact O-N 3.29Å; S65-I68 WeakPolarHBondContact OG-CD1 3.42Å; S65-I68 WeakPolarHBondContact OG-CG1 3.28Å; S65-I68 PolarHBondContact OG-N 3.45Å; Q66-I68 VanDerWaalsContact C-N 3.29Å; Q66-I68 PolarHBondContact O-N 3.34Å; I68-C71 PolarHBondContact O-N 3.23Å; I68-L72 HydrophobicContact CG2-CD1 4.05Å; I68-L72 WeakPolarHBondContact O-CG 3.32Å; I68-L72 PolarHBondContact O-N 2.86Å; I68-R274 WeakPolarHBondContact CD1-O 3.28Å; I68-P276 HydrophobicContact CG2-CB 4.21Å; I68-A327 HydrophobicContact CG2-CB 4.21Å; I68-M331 HydrophobicContact CD1-CB 4.08Å; I68-M331 HydrophobicContact CG1-CB 4.47Å
69	L	97.4	Very high	97.7	Very high	45 Å²	45	51.1 Å²	51.1	24%	0.236	30%	0.301	C	S	.	.	H	α-helix	trans	-64.1	-39.4	178.6	-64.2	173.7	0	0	0	112	V64 S65 Q66 L72 G73 M501	V64-L69 HydrophobicContact CG2-CD1 4.35Å; V64-L69 HydrophobicContact CG2-CD2 3.58Å; V64-L69 HydrophobicContact CG2-CG 3.79Å; S65-L69 PolarHBondContact O-N 2.8Å; Q66-L69 WeakPolarHBondContact O-CB 3.44Å; Q66-L69 PolarHBondContact O-N 2.68Å; L69-L72 PolarHBondContact O-N 2.85Å; L69-G73 PolarHBondContact O-N 3.17Å; L69-M501 HydrophobicContact CB-CE 4.2Å; L69-M501 HydrophobicContact CD1-CE 4.01Å; L69-M501 HydrophobicContact CD1-CG 4.16Å
70	E	97.3	Very high	97.7	Very high	120 Å²	120	57.1 Å²	57.1	56%	0.561	33%	0.325	S	S	*	.	H	α-helix	trans	-61.1	-42.9	175.1	-73.3	174	-174.3	0	0	112	Q66 S74	Q66-E70 HydrophobicContact CG-CG 4.49Å; Q66-E70 WeakPolarHBondContact CG-OE1 3.41Å; Q66-E70 PolarHBondContact NE2-OE1 3.44Å; Q66-E70 WeakPolarHBondContact O-CG 3.49Å; Q66-E70 PolarHBondContact O-N 3.5Å; E70-S74 WeakPolarHBondContact O-CB 3.2Å; E70-S74 PolarHBondContact O-N 2.99Å
71	C	98.4	Very high	97.7	Very high	30 Å²	30	55.5 Å²	55.5	20%	0.203	31%	0.313	C	S	.	.	H	α-helix	trans	-62.2	-45.3	173.7	-69.1	0	0	0	0	111.8	S67 I68 G73 S74 N323 A326 A327	S67-C71 PolarHBondContact O-N 2.67Å; S67-C71 VanDerWaalsContact O-N 3.16Å; S67-C71 PolarHBondContact O-SG 3.28Å; S67-C71 VanDerWaalsContact O-SG 3.39Å; I68-C71 PolarHBondContact O-N 3.23Å; C71-G73 PolarHBondContact O-N 3.1Å; C71-S74 VanDerWaalsContact O-CB 3.28Å; C71-S74 WeakPolarHBondContact O-CB 3.38Å; C71-S74 PolarHBondContact O-N 2.88Å; C71-S74 PolarHBondContact O-OG 3.1Å; C71-N323 WeakPolarHBondContact O-CB 3.25Å; C71-A326 HydrophobicContact CB-CB 4.25Å; C71-A327 HydrophobicContact CB-CB 3.71Å
72	L	98.2	Very high	97.7	Very high	53 Å²	53	53.8 Å²	53.8	28%	0.277	31%	0.305	S	S	.	.	H	α-helix	trans	-63.7	-38.1	-178.5	-70.8	173.4	0	0	0	112.7	I68 L69 S74 P276 N323 A327	I68-L72 HydrophobicContact CG2-CD1 4.05Å; I68-L72 WeakPolarHBondContact O-CG 3.32Å; I68-L72 PolarHBondContact O-N 2.86Å; L69-L72 PolarHBondContact O-N 2.85Å; L72-S74 VanDerWaalsContact C-N 3.32Å; L72-P276 HydrophobicContact CD1-CB 4.23Å; L72-P276 HydrophobicContact CD2-CB 3.97Å; L72-P276 HydrophobicContact CG-CB 4.43Å; L72-N323 PolarHBondContact O-ND2 3.31Å; L72-A327 HydrophobicContact CD2-CB 4.08Å; L72-A327 HydrophobicContact CG-CB 4.11Å
73	G	96.6	Very high	97.7	Very high	71 Å²	71	52.5 Å²	52.5	73%	0.732	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	4.9	177	0	0	0	0	0	115.1	L69 C71	L69-G73 PolarHBondContact O-N 3.17Å; C71-G73 PolarHBondContact O-N 3.1Å
74	S	98.1	Very high	97.7	Very high	33 Å²	33	53.6 Å²	53.6	23%	0.231	30%	0.303	C	S	.	.	S	Bend	trans	-79.2	171.1	-174.2	74.1	0	0	0	0	114.1	E70 C71 L72 L76	E70-S74 WeakPolarHBondContact O-CB 3.2Å; E70-S74 PolarHBondContact O-N 2.99Å; C71-S74 VanDerWaalsContact O-CB 3.28Å; C71-S74 WeakPolarHBondContact O-CB 3.38Å; C71-S74 PolarHBondContact O-N 2.88Å; C71-S74 PolarHBondContact O-OG 3.1Å; L72-S74 VanDerWaalsContact C-N 3.32Å; S74-L76 PolarHBondContact O-N 3.44Å; S74-L76 VanDerWaalsContact O-N 3.11Å; S74-L76 WeakPolarHBondContact OG-CG 3.37Å; S74-L76 PolarHBondContact OG-N 3.18Å
75	C	97.8	Very high	97.7	Very high	98 Å²	98	52.8 Å²	52.8	66%	0.662	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-64.1	-12.2	176.8	63.8	0	0	0	0	114.5	T77 N78	C75-T77 PolarHBondContact O-N 2.9Å; C75-N78 WeakPolarHBondContact O-CB 3.49Å; C75-N78 PolarHBondContact O-N 3.41Å; C75-N78 VanDerWaalsContact O-N 3.09Å; C75-N78 PolarHBondContact O-ND2 3.33Å
76	L	98.5	Very high	97.6	Very high	29 Å²	29	60.4 Å²	60.4	15%	0.152	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-61.1	-25.3	-179.4	-62.2	175.3	0	0	0	112.5	S74 N78 K79 I96 I99 E322 N323 A326	S74-L76 PolarHBondContact O-N 3.44Å; S74-L76 VanDerWaalsContact O-N 3.11Å; S74-L76 WeakPolarHBondContact OG-CG 3.37Å; S74-L76 PolarHBondContact OG-N 3.18Å; L76-N78 PolarHBondContact O-N 2.92Å; L76-K79 PolarHBondContact O-N 3.05Å; L76-I96 HydrophobicContact CD2-CD1 3.92Å; L76-I99 HydrophobicContact CD1-CD1 3.9Å; L76-I99 HydrophobicContact CD2-CD1 3.59Å; L76-I99 HydrophobicContact CG-CD1 4.42Å; L76-E322 HydrophobicContact CB-CB 4.23Å; L76-N323 HydrophobicContact CB-CB 3.99Å; L76-A326 HydrophobicContact CD1-CB 3.32Å
77	T	97.9	Very high	97.6	Very high	89 Å²	89	60.2 Å²	60.2	55%	0.546	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-59.2	-16.8	175.2	-166	0	0	0	0	113.9	C75	C75-T77 PolarHBondContact O-N 2.9Å
78	N	97.6	Very high	97.7	Very high	134 Å²	134	59.9 Å²	59.9	72%	0.717	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-86.4	-15.8	-176.9	-60.8	-37.7	0	0	0	113.2	C75 L76	C75-N78 WeakPolarHBondContact O-CB 3.49Å; C75-N78 PolarHBondContact O-N 3.41Å; C75-N78 VanDerWaalsContact O-N 3.09Å; C75-N78 PolarHBondContact O-ND2 3.33Å; L76-N78 PolarHBondContact O-N 2.92Å
79	K	98.2	Very high	97.7	Very high	59 Å²	59	67.1 Å²	67.1	26%	0.257	36%	0.36	S	S	.	.			trans	-93.6	128.4	-171.5	-168	57.5	175.8	74.9	0	111.6	L76 G91 G92 N93 I96	L76-K79 PolarHBondContact O-N 3.05Å; K79-G91 WeakPolarHBondContact CE-O 3.44Å; K79-G91 PolarHBondContact NZ-O 3.38Å; K79-G92 WeakPolarHBondContact CE-O 3.43Å; K79-N93 WeakPolarHBondContact CE-OD1 3.46Å; K79-N93 VanDerWaalsContact NZ-CG 3.33Å; K79-N93 PolarHBondContact NZ-ND2 3.19Å; K79-N93 PolarHBondContact NZ-OD1 2.9Å; K79-I96 HydrophobicContact CB-CD1 4.08Å; K79-I96 HydrophobicContact CB-CG1 4.15Å; K79-I96 HydrophobicContact CG-CD1 4.11Å; K79-I96 HydrophobicContact CG-CG1 3.61Å
80	Y	98	Very high	97.7	Very high	126 Å²	126	70.3 Å²	70.3	49%	0.494	37%	0.37	S	S	.	.			trans	-98.4	126.2	172.8	-144	-87.1	0	0	0	110.1	E82 Y90 G319	Y80-E82 HydrophobicContact CD1-CG 4.06Å; Y80-E82 VanDerWaalsContact CE1-CD 3.45Å; Y80-E82 HydrophobicContact CE1-CG 3.52Å; Y80-Y90 AromaticContact CD1-CD2 3.97Å; Y80-Y90 HydrophobicContact CD1-CD2 3.97Å; Y80-Y90 AromaticContact CD1-CE2 3.49Å; Y80-Y90 HydrophobicContact CD1-CE2 3.49Å; Y80-Y90 VanDerWaalsContact CD1-CE2 3.49Å; Y80-Y90 AromaticContact CE1-CE2 3.93Å; Y80-Y90 HydrophobicContact CE1-CE2 3.93Å; Y80-G319 PolarHBondContact OH-N 2.9Å
81	S	98.2	Very high	97.7	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	37%	0.374	C	S	.	.			trans	-145	40.3	-162.1	44.5	0	0	0	0	112.4	G83 R88 N93 P320 E322	S81-G83 PolarHBondContact O-N 2.98Å; S81-R88 VanDerWaalsContact O-CD 3.29Å; S81-R88 WeakPolarHBondContact O-CD 3.45Å; S81-R88 PolarHBondContact O-NH1 3.14Å; S81-N93 VanDerWaalsContact CB-OD1 3.32Å; S81-N93 WeakPolarHBondContact CB-OD1 3.34Å; S81-P320 WeakPolarHBondContact OG-CG 3.29Å; S81-E322 WeakPolarHBondContact CB-OE1 3.23Å; S81-E322 WeakPolarHBondContact OG-CG 3.4Å; S81-E322 PolarHBondContact OG-OE1 3.14Å
82	E	98.5	Very high	97.6	Very high	30 Å²	30	69.6 Å²	69.6	14%	0.14	40%	0.399	C	S	.	.			trans	-49.6	140.6	174.7	-77.6	179.8	138.6	0	0	112.6	Y80 R88 Y89 Y90 F313	Y80-E82 HydrophobicContact CD1-CG 4.06Å; Y80-E82 VanDerWaalsContact CE1-CD 3.45Å; Y80-E82 HydrophobicContact CE1-CG 3.52Å; E82-R88 WeakPolarHBondContact O-CA 3.46Å; E82-Y89 HydrophobicContact CB-CD2 4.25Å; E82-Y89 WeakPolarHBondContact O-CD2 3.4Å; E82-Y89 PolarHBondContact O-N 2.81Å; E82-Y90 HydrophobicContact CB-CD2 4.39Å; E82-Y90 HydrophobicContact CB-CE2 3.89Å; E82-Y90 HydrophobicContact CG-CE2 4.13Å; E82-Y90 WeakPolarHBondContact OE2-CE2 3.35Å; E82-Y90 VanDerWaalsContact OE2-CZ 3.29Å; E82-Y90 PolarHBondContact OE2-OH 3.37Å; E82-F313 HydrophobicContact CB-CE2 3.81Å; E82-F313 HydrophobicContact CB-CZ 3.79Å; E82-F313 HydrophobicContact CG-CD2 4.49Å; E82-F313 HydrophobicContact CG-CE2 3.69Å; E82-F313 HydrophobicContact CG-CZ 4.18Å
83	G	98.2	Very high	97.6	Very high	1 Å²	1	67.4 Å²	67.4	1%	0.01	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	98.5	-159.7	-169.2	0	0	0	0	0	112.5	S81 R88 Q130	S81-G83 PolarHBondContact O-N 2.98Å; G83-R88 PolarHBondContact O-NH1 3.48Å; G83-Q130 PolarHBondContact O-NE2 3.27Å
84	Y	98.4	Very high	97.7	Very high	40 Å²	40	72.2 Å²	72.2	16%	0.157	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	165	-179.5	-68.6	-74	0	0	0	109.9	F86 A87 R88 N128 Q130 N309	Y84-F86 PolarHBondContact O-N 2.96Å; Y84-A87 PolarHBondContact N-O 3.49Å; Y84-A87 CarbonylContact O-C 3.55Å; Y84-A87 VanDerWaalsContact O-C 3.24Å; Y84-A87 WeakPolarHBondContact O-CA 3.43Å; Y84-A87 PolarHBondContact O-N 3.27Å; Y84-R88 WeakPolarHBondContact O-CD 3.33Å; Y84-R88 PolarHBondContact O-N 2.76Å; Y84-R88 PolarHBondContact O-NE 2.95Å; Y84-N128 WeakPolarHBondContact CE1-ND2 3.44Å; Y84-N128 PolarHBondContact OH-ND2 2.98Å; Y84-Q130 VanDerWaalsContact CD1-NE2 3.34Å; Y84-Q130 HydrophobicContact CE1-CG 4.44Å; Y84-N309 HydrophobicContact CE2-CB 3.85Å; Y84-N309 VanDerWaalsContact OH-C 3.31Å; Y84-N309 VanDerWaalsContact OH-CA 3.31Å; Y84-N309 WeakPolarHBondContact OH-CA 3.42Å; Y84-N309 PolarHBondContact OH-O 3.42Å
85	P	97.9	Very high	97.7	Very high	20 Å²	20	75.3 Å²	75.3	13%	0.13	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.5	133.3	176.9	-30.4	36.9	0	0	0	112.2	A87 D97 E100	P85-A87 PolarHBondContact O-N 3.46Å; P85-A87 VanDerWaalsContact O-N 3.14Å; P85-D97 HydrophobicContact CB-CB 4.08Å; P85-E100 HydrophobicContact CG-CB 3.94Å; P85-E100 HydrophobicContact CG-CG 3.92Å
86	F	93.8	Very high	97.7	Very high	177 Å²	177	71 Å²	71	78%	0.776	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	2.7	-177.1	-40.6	-70.6	0	0	0	116.1	Y84 D97	Y84-F86 PolarHBondContact O-N 2.96Å; F86-D97 PolarHBondContact N-OD2 2.9Å
87	A	97.2	Very high	97.7	Very high	65 Å²	65	70.3 Å²	70.3	54%	0.537	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	48.4	178	0	0	0	0	0	111.1	Y84 P85	Y84-A87 PolarHBondContact N-O 3.49Å; Y84-A87 CarbonylContact O-C 3.55Å; Y84-A87 VanDerWaalsContact O-C 3.24Å; Y84-A87 WeakPolarHBondContact O-CA 3.43Å; Y84-A87 PolarHBondContact O-N 3.27Å; P85-A87 PolarHBondContact O-N 3.46Å; P85-A87 VanDerWaalsContact O-N 3.14Å
88	R	98.1	Very high	97.7	Very high	37 Å²	37	69 Å²	69	14%	0.14	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	149.2	-178.5	-58.3	-67.7	-169.8	-174.6	-4.3	111.9	S81 E82 G83 Y84 N93 D97 E100	S81-R88 VanDerWaalsContact O-CD 3.29Å; S81-R88 WeakPolarHBondContact O-CD 3.45Å; S81-R88 PolarHBondContact O-NH1 3.14Å; E82-R88 WeakPolarHBondContact O-CA 3.46Å; G83-R88 PolarHBondContact O-NH1 3.48Å; Y84-R88 WeakPolarHBondContact O-CD 3.33Å; Y84-R88 PolarHBondContact O-N 2.76Å; Y84-R88 PolarHBondContact O-NE 2.95Å; R88-N93 HydrophobicContact CG-CB 3.93Å; R88-D97 IonicContact CZ-OD1 3.29Å; R88-D97 VanDerWaalsContact CZ-OD1 3.29Å; R88-D97 IonicContact NE-OD1 2.74Å; R88-D97 PolarHBondContact NE-OD1 2.86Å; R88-D97 IonicContact NH2-OD1 2.91Å; R88-D97 PolarHBondContact NH2-OD1 3.31Å; R88-E100 IonicContact CZ-OE2 3.24Å; R88-E100 VanDerWaalsContact CZ-OE2 3.24Å; R88-E100 IonicContact NH1-OE2 2.95Å; R88-E100 PolarHBondContact NH1-OE2 2.93Å; R88-E100 IonicContact NH2-OE2 2.67Å; R88-E100 PolarHBondContact NH2-OE2 3.34Å
89	Y	97.5	Very high	97.8	Very high	153 Å²	153	64.1 Å²	64.1	60%	0.6	35%	0.347	S	S	*	.	S	Bend	trans	-77.7	-24.5	174.4	-72.9	-107.7	0	0	0	112.5	E82 F313	E82-Y89 HydrophobicContact CB-CD2 4.25Å; E82-Y89 WeakPolarHBondContact O-CD2 3.4Å; E82-Y89 PolarHBondContact O-N 2.81Å; Y89-F313 HydrophobicContact CD2-CE1 4.07Å; Y89-F313 HydrophobicContact CD2-CZ 4.04Å; Y89-F313 AromaticContact CE2-CE1 3.39Å; Y89-F313 HydrophobicContact CE2-CE1 3.39Å; Y89-F313 AromaticContact CE2-CZ 3.69Å; Y89-F313 HydrophobicContact CE2-CZ 3.69Å; Y89-F313 AromaticContact CZ-CE1 3.95Å
90	Y	97	Very high	97.8	Very high	112 Å²	112	61.3 Å²	61.3	44%	0.439	33%	0.334	S	S	.	.	S	Bend	trans	-119.1	155.2	-177.8	-49.7	-62.1	0	0	0	112.1	Y80 E82 N93	Y80-Y90 AromaticContact CD1-CD2 3.97Å; Y80-Y90 HydrophobicContact CD1-CD2 3.97Å; Y80-Y90 AromaticContact CD1-CE2 3.49Å; Y80-Y90 HydrophobicContact CD1-CE2 3.49Å; Y80-Y90 VanDerWaalsContact CD1-CE2 3.49Å; Y80-Y90 AromaticContact CE1-CE2 3.93Å; Y80-Y90 HydrophobicContact CE1-CE2 3.93Å; E82-Y90 HydrophobicContact CB-CD2 4.39Å; E82-Y90 HydrophobicContact CB-CE2 3.89Å; E82-Y90 HydrophobicContact CG-CE2 4.13Å; E82-Y90 WeakPolarHBondContact OE2-CE2 3.35Å; E82-Y90 VanDerWaalsContact OE2-CZ 3.29Å; E82-Y90 PolarHBondContact OE2-OH 3.37Å; Y90-N93 PolarHBondContact O-ND2 2.89Å
91	G	97	Very high	97.8	Very high	64 Å²	64	57 Å²	57	66%	0.66	32%	0.322	S	S	*	.	S	Bend	trans	-76.4	176	173.8	0	0	0	0	0	114.4	K79	K79-G91 WeakPolarHBondContact CE-O 3.44Å; K79-G91 PolarHBondContact NZ-O 3.38Å
92	G	97.5	Very high	97.8	Very high	70 Å²	70	60.7 Å²	60.7	72%	0.722	34%	0.341	S	S	*	.			trans	74.9	22.9	174.6	0	0	0	0	0	115	K79	K79-G92 WeakPolarHBondContact CE-O 3.43Å
93	N	97.9	Very high	97.8	Very high	7 Å²	7	59.2 Å²	59.2	4%	0.037	33%	0.334	C	S	.	.			trans	-100.7	10.1	-174.7	-74.3	-47.4	0	0	0	114.5	K79 S81 R88 Y90 V95 I96 D97	K79-N93 WeakPolarHBondContact CE-OD1 3.46Å; K79-N93 VanDerWaalsContact NZ-CG 3.33Å; K79-N93 PolarHBondContact NZ-ND2 3.19Å; K79-N93 PolarHBondContact NZ-OD1 2.9Å; S81-N93 VanDerWaalsContact CB-OD1 3.32Å; S81-N93 WeakPolarHBondContact CB-OD1 3.34Å; R88-N93 HydrophobicContact CG-CB 3.93Å; Y90-N93 PolarHBondContact O-ND2 2.89Å; N93-V95 PolarHBondContact O-N 3.44Å; N93-I96 HydrophobicContact CB-CB 4.25Å; N93-I96 CarbonylContact O-C 3.51Å; N93-I96 WeakPolarHBondContact O-CB 3.44Å; N93-I96 PolarHBondContact O-N 2.87Å; N93-D97 WeakPolarHBondContact O-CB 3.2Å; N93-D97 VanDerWaalsContact O-CG 3.31Å; N93-D97 PolarHBondContact O-N 3.01Å
94	E	97.7	Very high	97.8	Very high	172 Å²	172	60.6 Å²	60.6	80%	0.804	34%	0.34	S	S	*	.	H	α-helix	trans	-52.2	-49.9	-177.3	-176.3	-175.3	168.8	0	0	112.9	A98	E94-A98 PolarHBondContact O-N 3.22Å
95	V	98.1	Very high	97.8	Very high	98 Å²	98	59.8 Å²	59.8	59%	0.594	34%	0.34	S	S	*	.	H	α-helix	trans	-71.8	-34.7	178.3	179.9	0	0	0	0	111.7	N93 A98 I99	N93-V95 PolarHBondContact O-N 3.44Å; V95-A98 PolarHBondContact O-N 3.1Å; V95-I99 HydrophobicContact CG1-CD1 4.01Å; V95-I99 WeakPolarHBondContact O-CG1 3.35Å; V95-I99 PolarHBondContact O-N 2.98Å
96	I	98.4	Very high	97.8	Very high	8 Å²	8	62.3 Å²	62.3	4%	0.041	35%	0.347	C	S	.	.	H	α-helix	trans	-64.9	-45.4	177.9	-66.1	-50.3	0	0	0	111	L76 K79 N93 A98 I99 E100 E322	L76-I96 HydrophobicContact CD2-CD1 3.92Å; K79-I96 HydrophobicContact CB-CD1 4.08Å; K79-I96 HydrophobicContact CB-CG1 4.15Å; K79-I96 HydrophobicContact CG-CD1 4.11Å; K79-I96 HydrophobicContact CG-CG1 3.61Å; N93-I96 HydrophobicContact CB-CB 4.25Å; N93-I96 CarbonylContact O-C 3.51Å; N93-I96 WeakPolarHBondContact O-CB 3.44Å; N93-I96 PolarHBondContact O-N 2.87Å; I96-A98 VanDerWaalsContact C-N 3.27Å; I96-A98 PolarHBondContact O-N 3.39Å; I96-I99 PolarHBondContact O-N 2.9Å; I96-I99 VanDerWaalsContact O-N 3.12Å; I96-E100 PolarHBondContact O-N 3.48Å; I96-E322 HydrophobicContact CD1-CB 4.05Å; I96-E322 HydrophobicContact CD1-CG 3.98Å; I96-E322 HydrophobicContact CG1-CG 4.48Å; I96-E322 HydrophobicContact CG2-CG 3.86Å; I96-E322 WeakPolarHBondContact CG2-OE1 3.34Å; I96-E322 WeakPolarHBondContact CG2-OE2 3.29Å
97	D	98.5	Very high	98	Very high	14 Å²	14	53.9 Å²	53.9	8%	0.075	31%	0.31	C	S	.	.	H	α-helix	trans	-61.3	-39.3	177.2	-72.2	0.8	0	0	0	110.6	P85 F86 R88 N93 T101	P85-D97 HydrophobicContact CB-CB 4.08Å; F86-D97 PolarHBondContact N-OD2 2.9Å; R88-D97 IonicContact CZ-OD1 3.29Å; R88-D97 VanDerWaalsContact CZ-OD1 3.29Å; R88-D97 IonicContact NE-OD1 2.74Å; R88-D97 PolarHBondContact NE-OD1 2.86Å; R88-D97 IonicContact NH2-OD1 2.91Å; R88-D97 PolarHBondContact NH2-OD1 3.31Å; N93-D97 WeakPolarHBondContact O-CB 3.2Å; N93-D97 VanDerWaalsContact O-CG 3.31Å; N93-D97 PolarHBondContact O-N 3.01Å; D97-T101 WeakPolarHBondContact O-CB 3.18Å; D97-T101 PolarHBondContact O-N 3.28Å; D97-T101 PolarHBondContact O-OG1 2.96Å
98	A	98.3	Very high	98	Very high	61 Å²	61	51 Å²	51	50%	0.504	29%	0.286	S	S	.	.	H	α-helix	trans	-64	-42	173.7	0	0	0	0	0	112.7	E94 V95 I96 L102	E94-A98 PolarHBondContact O-N 3.22Å; V95-A98 PolarHBondContact O-N 3.1Å; I96-A98 VanDerWaalsContact C-N 3.27Å; I96-A98 PolarHBondContact O-N 3.39Å; A98-L102 WeakPolarHBondContact O-CB 3.38Å; A98-L102 PolarHBondContact O-N 3.36Å
99	I	98.6	Very high	97.9	Very high	32 Å²	32	52.5 Å²	52.5	16%	0.164	30%	0.296	C	S	.	.	H	α-helix	trans	-65.5	-48	177.9	-71.7	167.8	0	0	0	111.1	L76 V95 I96 L102 A103 I325 A326	L76-I99 HydrophobicContact CD1-CD1 3.9Å; L76-I99 HydrophobicContact CD2-CD1 3.59Å; L76-I99 HydrophobicContact CG-CD1 4.42Å; V95-I99 HydrophobicContact CG1-CD1 4.01Å; V95-I99 WeakPolarHBondContact O-CG1 3.35Å; V95-I99 PolarHBondContact O-N 2.98Å; I96-I99 PolarHBondContact O-N 2.9Å; I96-I99 VanDerWaalsContact O-N 3.12Å; I99-L102 WeakPolarHBondContact O-CB 3.33Å; I99-L102 PolarHBondContact O-N 3.32Å; I99-A103 PolarHBondContact O-N 3.3Å; I99-I325 HydrophobicContact CG2-CG2 4.37Å; I99-A326 HydrophobicContact CG2-CB 3.83Å
100	E	98.8	Very high	97.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.9	-43.3	-180	-173	175.1	166.5	0	0	111.2	P85 R88 I96 L102 A103 Q104 V129 Q130 I325	P85-E100 HydrophobicContact CG-CB 3.94Å; P85-E100 HydrophobicContact CG-CG 3.92Å; R88-E100 IonicContact CZ-OE2 3.24Å; R88-E100 VanDerWaalsContact CZ-OE2 3.24Å; R88-E100 IonicContact NH1-OE2 2.95Å; R88-E100 PolarHBondContact NH1-OE2 2.93Å; R88-E100 IonicContact NH2-OE2 2.67Å; R88-E100 PolarHBondContact NH2-OE2 3.34Å; I96-E100 PolarHBondContact O-N 3.48Å; E100-L102 VanDerWaalsContact C-N 3.29Å; E100-L102 PolarHBondContact O-N 3.26Å; E100-A103 WeakPolarHBondContact O-CB 3.25Å; E100-A103 PolarHBondContact O-N 3.38Å; E100-Q104 VanDerWaalsContact O-CG 3.3Å; E100-Q104 WeakPolarHBondContact O-CG 3.49Å; E100-Q104 PolarHBondContact O-N 3.39Å; E100-Q104 PolarHBondContact OE1-NE2 3.12Å; E100-V129 HydrophobicContact CG-CG2 3.73Å; E100-Q130 PolarHBondContact OE1-NE2 3.26Å; E100-Q130 PolarHBondContact OE2-NE2 2.93Å; E100-I325 HydrophobicContact CB-CG2 4.1Å; E100-I325 HydrophobicContact CG-CD1 4.49Å; E100-I325 HydrophobicContact CG-CG2 4.17Å
101	T	98.2	Very high	98	Very high	37 Å²	37	41.4 Å²	41.4	23%	0.227	25%	0.254	C	S	.	.	H	α-helix	trans	-59.1	-40.7	173.7	-60.6	0	0	0	0	111.4	D97 Q104 S105 L120	D97-T101 WeakPolarHBondContact O-CB 3.18Å; D97-T101 PolarHBondContact O-N 3.28Å; D97-T101 PolarHBondContact O-OG1 2.96Å; T101-Q104 PolarHBondContact O-N 3.06Å; T101-S105 WeakPolarHBondContact O-CB 3.27Å; T101-S105 PolarHBondContact O-N 2.83Å; T101-L120 HydrophobicContact CG2-CD1 3.71Å
102	L	98	Very high	97.9	Very high	76 Å²	76	40.9 Å²	40.9	40%	0.398	25%	0.249	S	C	.	.	H	α-helix	trans	-65.4	-42.2	176.4	-179.1	63.3	0	0	0	111.8	A98 I99 E100 S105 R106	A98-L102 WeakPolarHBondContact O-CB 3.38Å; A98-L102 PolarHBondContact O-N 3.36Å; I99-L102 WeakPolarHBondContact O-CB 3.33Å; I99-L102 PolarHBondContact O-N 3.32Å; E100-L102 VanDerWaalsContact C-N 3.29Å; E100-L102 PolarHBondContact O-N 3.26Å; L102-S105 PolarHBondContact O-N 3.4Å; L102-R106 HydrophobicContact CD1-CG 4.16Å; L102-R106 HydrophobicContact CG-CG 4.48Å; L102-R106 WeakPolarHBondContact O-CB 3.26Å; L102-R106 VanDerWaalsContact O-CG 3.31Å; L102-R106 WeakPolarHBondContact O-CG 3.45Å; L102-R106 PolarHBondContact O-N 2.81Å
103	A	98.6	Very high	97.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.7	-47.3	175.5	0	0	0	0	0	111.2	I99 E100 R106 L107 V129 I325 I328 A329	I99-A103 PolarHBondContact O-N 3.3Å; E100-A103 WeakPolarHBondContact O-CB 3.25Å; E100-A103 PolarHBondContact O-N 3.38Å; A103-R106 PolarHBondContact O-N 2.97Å; A103-L107 WeakPolarHBondContact O-CG 3.48Å; A103-L107 PolarHBondContact O-N 3.45Å; A103-L107 VanDerWaalsContact O-N 3.08Å; A103-V129 HydrophobicContact CB-CG2 4.48Å; A103-I325 HydrophobicContact CB-CG2 3.82Å; A103-I328 HydrophobicContact CB-CG2 4.41Å; A103-A329 HydrophobicContact CB-CB 3.96Å
104	Q	98.5	Very high	97.7	Very high	30 Å²	30	39 Å²	39	14%	0.14	22%	0.221	C	C	.	.	H	α-helix	trans	-59.1	-49.3	176.7	-68.1	169.4	0.8	0	0	111.2	E100 T101 R106 L107 L108 L120 V127 V129	E100-Q104 VanDerWaalsContact O-CG 3.3Å; E100-Q104 WeakPolarHBondContact O-CG 3.49Å; E100-Q104 PolarHBondContact O-N 3.39Å; E100-Q104 PolarHBondContact OE1-NE2 3.12Å; T101-Q104 PolarHBondContact O-N 3.06Å; Q104-R106 PolarHBondContact O-N 2.8Å; Q104-L107 PolarHBondContact O-N 3.42Å; Q104-L108 WeakPolarHBondContact O-CG 3.19Å; Q104-L108 PolarHBondContact O-N 3.45Å; Q104-L108 VanDerWaalsContact O-N 3.08Å; Q104-L120 HydrophobicContact CB-CD1 3.99Å; Q104-L120 HydrophobicContact CB-CD2 4.37Å; Q104-V127 HydrophobicContact CB-CG1 3.85Å; Q104-V127 HydrophobicContact CG-CG1 4.05Å; Q104-V129 HydrophobicContact CG-CG1 4.13Å; Q104-V129 HydrophobicContact CG-CG2 4.16Å
105	S	97.6	Very high	97.3	Very high	23 Å²	23	35.9 Å²	35.9	16%	0.161	22%	0.215	C	C	.	.	H	α-helix	trans	-60.3	-49.4	179	-171.7	0	0	0	0	111.9	T101 L102 L107 L108 D109 K114	T101-S105 WeakPolarHBondContact O-CB 3.27Å; T101-S105 PolarHBondContact O-N 2.83Å; L102-S105 PolarHBondContact O-N 3.4Å; S105-L107 VanDerWaalsContact C-N 3.28Å; S105-L107 PolarHBondContact O-N 2.87Å; S105-L108 PolarHBondContact O-N 2.97Å; S105-D109 WeakPolarHBondContact O-CB 3.35Å; S105-D109 PolarHBondContact O-N 2.7Å; S105-D109 VanDerWaalsContact O-OD2 3.07Å; S105-D109 PolarHBondContact OG-OD2 3.09Å; S105-K114 PolarHBondContact OG-NZ 3.39Å
106	R	97.7	Very high	96.7	Very high	73 Å²	73	37 Å²	37	28%	0.275	22%	0.224	S	C	.	.	H	α-helix	trans	-61.3	-37	-178.1	-74.8	179.9	175.9	175.6	2.2	112.3	L102 A103 Q104 L110 A329 A332	L102-R106 HydrophobicContact CD1-CG 4.16Å; L102-R106 HydrophobicContact CG-CG 4.48Å; L102-R106 WeakPolarHBondContact O-CB 3.26Å; L102-R106 VanDerWaalsContact O-CG 3.31Å; L102-R106 WeakPolarHBondContact O-CG 3.45Å; L102-R106 PolarHBondContact O-N 2.81Å; A103-R106 PolarHBondContact O-N 2.97Å; Q104-R106 PolarHBondContact O-N 2.8Å; R106-L110 WeakPolarHBondContact O-CB 2.92Å; R106-L110 PolarHBondContact O-N 2.94Å; R106-A329 VanDerWaalsContact CD-O 3.23Å; R106-A329 WeakPolarHBondContact CD-O 3.35Å; R106-A329 VanDerWaalsContact NH1-C 3.35Å; R106-A329 PolarHBondContact NH1-O 3.17Å; R106-A332 HydrophobicContact CB-CB 3.69Å
107	L	98.3	Very high	95.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-68.1	-45.7	176	-75.1	174	0	0	0	112	A103 Q104 S105 D109 L110 F111 V127 V129 I280 F282 I328 M331 A332	A103-L107 WeakPolarHBondContact O-CG 3.48Å; A103-L107 PolarHBondContact O-N 3.45Å; A103-L107 VanDerWaalsContact O-N 3.08Å; Q104-L107 PolarHBondContact O-N 3.42Å; S105-L107 VanDerWaalsContact C-N 3.28Å; S105-L107 PolarHBondContact O-N 2.87Å; L107-D109 VanDerWaalsContact C-N 3.3Å; L107-D109 PolarHBondContact O-N 3.37Å; L107-L110 PolarHBondContact O-N 3Å; L107-F111 HydrophobicContact CD2-CE2 4.25Å; L107-F111 VanDerWaalsContact O-CD2 3.28Å; L107-F111 WeakPolarHBondContact O-CD2 3.38Å; L107-F111 PolarHBondContact O-N 3.13Å; L107-F111 VanDerWaalsContact O-N 3.14Å; L107-V127 HydrophobicContact CB-CG1 4.4Å; L107-V127 HydrophobicContact CD1-CG2 4.03Å; L107-V129 HydrophobicContact CD1-CG1 3.51Å; L107-I280 HydrophobicContact CD1-CD1 4.21Å; L107-I280 HydrophobicContact CD1-CG2 4Å; L107-I280 HydrophobicContact CD2-CD1 4.12Å; L107-F282 HydrophobicContact CB-CE1 4.02Å; L107-F282 HydrophobicContact CB-CZ 4.06Å; L107-F282 HydrophobicContact CD1-CZ 4.49Å; L107-F282 HydrophobicContact CD2-CZ 4.44Å; L107-I328 HydrophobicContact CD1-CG2 3.79Å; L107-I328 HydrophobicContact CD2-CG2 4.4Å; L107-I328 HydrophobicContact CG-CG2 4.22Å; L107-M331 HydrophobicContact CD2-CE 4.42Å; L107-A332 HydrophobicContact CD2-CB 4.11Å; L107-A332 HydrophobicContact CG-CB 4.42Å
108	L	98.1	Very high	95.4	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	27%	0.269	C	S	.	.	H	α-helix	trans	-62.6	-39.8	176.8	-64.1	179.7	0	0	0	111.5	Q104 S105 G112 L113 K114 L120 A123 W125 V127 F282	Q104-L108 WeakPolarHBondContact O-CG 3.19Å; Q104-L108 PolarHBondContact O-N 3.45Å; Q104-L108 VanDerWaalsContact O-N 3.08Å; S105-L108 PolarHBondContact O-N 2.97Å; L108-G112 PolarHBondContact O-N 3.32Å; L108-L113 HydrophobicContact CB-CB 4.43Å; L108-L113 HydrophobicContact CD2-CB 4.05Å; L108-L113 HydrophobicContact CD2-CD1 4.12Å; L108-L113 PolarHBondContact O-N 3.44Å; L108-K114 HydrophobicContact CB-CB 3.87Å; L108-L120 HydrophobicContact CD1-CD2 3.75Å; L108-A123 HydrophobicContact CD1-CB 4.14Å; L108-W125 WeakPolarHBondContact CD1-O 2.95Å; L108-W125 HydrophobicContact CD2-CB 4.12Å; L108-V127 HydrophobicContact CD2-CB 4.15Å; L108-V127 HydrophobicContact CD2-CG1 4.08Å; L108-V127 HydrophobicContact CG-CG1 4.01Å; L108-F282 HydrophobicContact CD2-CD1 4.07Å; L108-F282 HydrophobicContact CD2-CE1 4.25Å
109	D	96.5	Very high	95.1	Very high	69 Å²	69	41 Å²	41	37%	0.369	27%	0.268	S	S	.	.	H	α-helix	trans	-64.7	-46.2	175.6	-66.1	-33.3	0	0	0	111.3	S105 L107 F111 G112 K114	S105-D109 WeakPolarHBondContact O-CB 3.35Å; S105-D109 PolarHBondContact O-N 2.7Å; S105-D109 VanDerWaalsContact O-OD2 3.07Å; S105-D109 PolarHBondContact OG-OD2 3.09Å; L107-D109 VanDerWaalsContact C-N 3.3Å; L107-D109 PolarHBondContact O-N 3.37Å; D109-F111 VanDerWaalsContact C-N 3.32Å; D109-F111 PolarHBondContact O-N 3.28Å; D109-G112 PolarHBondContact O-N 3.31Å; D109-K114 WeakPolarHBondContact OD1-CE 3.44Å; D109-K114 IonicContact OD1-NZ 3.88Å; D109-K114 IonicContact OD2-NZ 3.12Å
110	L	97.4	Very high	94.9	Very high	15 Å²	15	41.3 Å²	41.3	8%	0.079	27%	0.27	C	S	.	.	H	α-helix	trans	-56.7	-43	-179.7	177.9	64.6	0	0	0	112.5	R106 L107 G112 A251 L273 A332 A335	R106-L110 WeakPolarHBondContact O-CB 2.92Å; R106-L110 PolarHBondContact O-N 2.94Å; L107-L110 PolarHBondContact O-N 3Å; L110-G112 VanDerWaalsContact C-N 3.34Å; L110-A251 HydrophobicContact CD1-CB 4.03Å; L110-A251 HydrophobicContact CD2-CB 3.99Å; L110-A251 HydrophobicContact CG-CB 3.87Å; L110-L273 HydrophobicContact CD2-CD1 4.21Å; L110-A332 HydrophobicContact CD2-CB 4.41Å; L110-A335 VanDerWaalsContact CD1-C 3.49Å; L110-A335 HydrophobicContact CD1-CB 3.84Å; L110-A335 WeakPolarHBondContact CD1-O 3.36Å; L110-A335 HydrophobicContact CD2-CB 3.77Å; L110-A335 HydrophobicContact CG-CB 4.48Å
111	F	98	Very high	94.5	Very high	17 Å²	17	44.3 Å²	44.3	8%	0.075	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	4	-179.6	-69	-72.9	0	0	0	113.5	L107 D109 L113 M243 V250 A251 F259 L273 F282	L107-F111 HydrophobicContact CD2-CE2 4.25Å; L107-F111 VanDerWaalsContact O-CD2 3.28Å; L107-F111 WeakPolarHBondContact O-CD2 3.38Å; L107-F111 PolarHBondContact O-N 3.13Å; L107-F111 VanDerWaalsContact O-N 3.14Å; D109-F111 VanDerWaalsContact C-N 3.32Å; D109-F111 PolarHBondContact O-N 3.28Å; F111-L113 VanDerWaalsContact C-N 3.34Å; F111-L113 HydrophobicContact CB-CD1 3.81Å; F111-L113 HydrophobicContact CB-CD2 4.44Å; F111-L113 HydrophobicContact CB-CG 3.75Å; F111-L113 PolarHBondContact O-N 2.62Å; F111-M243 HydrophobicContact CD1-CE 4.49Å; F111-M243 HydrophobicContact CE1-CE 3.83Å; F111-M243 HydrophobicContact CE1-SD 4.24Å; F111-M243 HydrophobicContact CE2-CE 4.14Å; F111-M243 HydrophobicContact CZ-CE 3.64Å; F111-V250 HydrophobicContact CD1-CG1 3.93Å; F111-V250 HydrophobicContact CE1-CB 4.27Å; F111-V250 HydrophobicContact CE1-CG1 3.93Å; F111-A251 HydrophobicContact CD1-CB 4.3Å; F111-A251 HydrophobicContact CE1-CB 3.68Å; F111-A251 HydrophobicContact CZ-CB 3.99Å; F111-F259 HydrophobicContact CB-CD2 4.31Å; F111-F259 HydrophobicContact CB-CE2 3.86Å; F111-F259 HydrophobicContact CB-CZ 4.22Å; F111-F259 HydrophobicContact CD1-CD2 4.31Å; F111-F259 AromaticContact CD1-CE2 3.53Å; F111-F259 HydrophobicContact CD1-CE2 3.53Å; F111-F259 HydrophobicContact CD1-CZ 4.27Å; F111-F259 HydrophobicContact CD2-CE2 4.45Å; F111-F259 HydrophobicContact CD2-CZ 4.43Å; F111-F259 HydrophobicContact CE1-CE2 4.16Å; F111-F259 AromaticContact CG-CE2 3.69Å; F111-F259 HydrophobicContact CG-CE2 3.69Å; F111-F259 HydrophobicContact CG-CZ 4.06Å; F111-L273 HydrophobicContact CZ-CD2 4.49Å; F111-F282 AromaticContact CD2-CE1 4Å; F111-F282 HydrophobicContact CD2-CE1 4Å; F111-F282 HydrophobicContact CD2-CE2 4.26Å; F111-F282 AromaticContact CD2-CZ 3.5Å; F111-F282 HydrophobicContact CD2-CZ 3.5Å; F111-F282 HydrophobicContact CE2-CE2 4.15Å; F111-F282 AromaticContact CE2-CZ 3.65Å; F111-F282 HydrophobicContact CE2-CZ 3.65Å
112	G	96.3	Very high	94.2	Very high	54 Å²	54	47.6 Å²	47.6	56%	0.557	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	31.6	178.8	0	0	0	0	0	113.9	L108 D109 L110	L108-G112 PolarHBondContact O-N 3.32Å; D109-G112 PolarHBondContact O-N 3.31Å; L110-G112 VanDerWaalsContact C-N 3.34Å
113	L	96.8	Very high	94	Very high	15 Å²	15	44.2 Å²	44.2	8%	0.079	30%	0.3	C	S	.	.			trans	-99.3	-1.1	-174.6	-51.8	177.5	0	0	0	113.5	L108 F111 W125 F259 F282	L108-L113 HydrophobicContact CB-CB 4.43Å; L108-L113 HydrophobicContact CD2-CB 4.05Å; L108-L113 HydrophobicContact CD2-CD1 4.12Å; L108-L113 PolarHBondContact O-N 3.44Å; F111-L113 VanDerWaalsContact C-N 3.34Å; F111-L113 HydrophobicContact CB-CD1 3.81Å; F111-L113 HydrophobicContact CB-CD2 4.44Å; F111-L113 HydrophobicContact CB-CG 3.75Å; F111-L113 PolarHBondContact O-N 2.62Å; L113-W125 HydrophobicContact CB-CB 3.9Å; L113-W125 HydrophobicContact CB-CG 4.06Å; L113-W125 HydrophobicContact CD1-CB 4.21Å; L113-W125 HydrophobicContact CD1-CD2 4.44Å; L113-W125 HydrophobicContact CD1-CG 4.2Å; L113-W125 HydrophobicContact CD2-CG 4.23Å; L113-W125 HydrophobicContact CG-CG 4.39Å; L113-F259 HydrophobicContact CD1-CD1 3.52Å; L113-F259 HydrophobicContact CD1-CE1 3.33Å; L113-F259 HydrophobicContact CD1-CE2 4.4Å; L113-F259 HydrophobicContact CD1-CG 4.15Å; L113-F259 HydrophobicContact CD1-CZ 3.81Å; L113-F259 HydrophobicContact CD2-CB 3.66Å; L113-F259 HydrophobicContact CD2-CD1 3.62Å; L113-F259 HydrophobicContact CD2-CD2 4.26Å; L113-F259 HydrophobicContact CD2-CE1 4.3Å; L113-F259 HydrophobicContact CD2-CG 3.6Å; L113-F259 HydrophobicContact CG-CD1 4.2Å; L113-F259 HydrophobicContact CG-CE1 4.41Å; L113-F259 HydrophobicContact CG-CG 4.43Å; L113-F282 HydrophobicContact CD1-CD1 3.68Å; L113-F282 HydrophobicContact CD1-CE1 4.01Å; L113-F282 HydrophobicContact CD1-CG 4.43Å
114	K	93	Very high	93.7	Very high	21 Å²	21	49.5 Å²	49.5	9%	0.091	32%	0.324	C	S	.	.	S	Bend	trans	-135.1	136.9	175.7	-172.8	179.9	75.3	149.5	0	108.4	S105 L108 D109 A118 L120 A123	S105-K114 PolarHBondContact OG-NZ 3.39Å; L108-K114 HydrophobicContact CB-CB 3.87Å; D109-K114 WeakPolarHBondContact OD1-CE 3.44Å; D109-K114 IonicContact OD1-NZ 3.88Å; D109-K114 IonicContact OD2-NZ 3.12Å; K114-A118 HydrophobicContact CD-CB 4.43Å; K114-A118 VanDerWaalsContact CD-O 3.29Å; K114-A118 WeakPolarHBondContact CD-O 3.26Å; K114-A118 WeakPolarHBondContact CE-O 3.32Å; K114-A118 HydrophobicContact CG-CB 3.94Å; K114-A118 PolarHBondContact NZ-O 3.11Å; K114-L120 HydrophobicContact CD-CD2 4.37Å; K114-A123 HydrophobicContact CB-CB 4.13Å; K114-A123 HydrophobicContact CD-CB 4.38Å; K114-A123 HydrophobicContact CG-CB 3.94Å
115	T	89.1	Confident	93.7	Very high	108 Å²	108	48.4 Å²	48.4	66%	0.663	32%	0.319	S	S	*	.			trans	-61.4	133	170.5	-54.2	0	0	0	0	108.8	G117 A118	T115-G117 PolarHBondContact O-N 2.8Å; T115-G117 VanDerWaalsContact O-N 3.16Å; T115-A118 VanDerWaalsContact O-CB 3.28Å; T115-A118 WeakPolarHBondContact O-CB 3.21Å; T115-A118 PolarHBondContact O-N 2.91Å
116	P	85.5	Confident	93.7	Very high	121 Å²	121	47.6 Å²	47.6	79%	0.786	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	125.2	178.4	-29.1	35.7	0	0	0	111.7	A118	P116-A118 VanDerWaalsContact C-N 3.34Å; P116-A118 PolarHBondContact O-N 2.82Å
117	G	82	Confident	93.7	Very high	82 Å²	82	44.4 Å²	44.4	85%	0.845	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	-9.6	-178.9	0	0	0	0	0	116.1	T115	T115-G117 PolarHBondContact O-N 2.8Å; T115-G117 VanDerWaalsContact O-N 3.16Å
118	A	88	Confident	93.8	Very high	28 Å²	28	44.4 Å²	44.4	23%	0.231	30%	0.303	C	S	.	.			trans	-65.9	150.9	174.8	0	0	0	0	0	111.6	K114 T115 P116	K114-A118 HydrophobicContact CD-CB 4.43Å; K114-A118 VanDerWaalsContact CD-O 3.29Å; K114-A118 WeakPolarHBondContact CD-O 3.26Å; K114-A118 WeakPolarHBondContact CE-O 3.32Å; K114-A118 HydrophobicContact CG-CB 3.94Å; K114-A118 PolarHBondContact NZ-O 3.11Å; T115-A118 VanDerWaalsContact O-CB 3.28Å; T115-A118 WeakPolarHBondContact O-CB 3.21Å; T115-A118 PolarHBondContact O-N 2.91Å; P116-A118 VanDerWaalsContact C-N 3.34Å; P116-A118 PolarHBondContact O-N 2.82Å
119	A	91.7	Very high	93.8	Very high	57 Å²	57	44.3 Å²	44.3	47%	0.471	30%	0.302	S	S	.	.			trans	-70.2	156.5	171.5	0	0	0	0	0	110.4	G121 D122	A119-G121 PolarHBondContact O-N 3.13Å; A119-D122 PolarHBondContact O-N 3.24Å; A119-D122 VanDerWaalsContact O-N 3.13Å
120	L	93.9	Very high	93.9	Very high	39 Å²	39	41.2 Å²	41.2	20%	0.204	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-32.2	177.7	-67.1	-179.4	0	0	0	112.8	T101 Q104 L108 K114 D122	T101-L120 HydrophobicContact CG2-CD1 3.71Å; Q104-L120 HydrophobicContact CB-CD1 3.99Å; Q104-L120 HydrophobicContact CB-CD2 4.37Å; L108-L120 HydrophobicContact CD1-CD2 3.75Å; K114-L120 HydrophobicContact CD-CD2 4.37Å; L120-D122 VanDerWaalsContact C-N 3.29Å; L120-D122 PolarHBondContact O-N 2.89Å
121	G	92	Very high	94	Very high	62 Å²	62	40.5 Å²	40.5	64%	0.639	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-25.8	178.5	0	0	0	0	0	114.1	A119	A119-G121 PolarHBondContact O-N 3.13Å
122	D	91.9	Very high	94	Very high	107 Å²	107	43.4 Å²	43.4	57%	0.572	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-15.8	-175.8	-58.5	-41.3	0	0	0	113.1	A119 L120	A119-D122 PolarHBondContact O-N 3.24Å; A119-D122 VanDerWaalsContact O-N 3.13Å; L120-D122 VanDerWaalsContact C-N 3.29Å; L120-D122 PolarHBondContact O-N 2.89Å
123	A	93.5	Very high	94.1	Very high	5 Å²	5	42.9 Å²	42.9	4%	0.041	28%	0.281	C	S	.	.	S	Bend	trans	-62.8	144	-179.2	0	0	0	0	0	111.6	L108 K114 W125	L108-A123 HydrophobicContact CD1-CB 4.14Å; K114-A123 HydrophobicContact CB-CB 4.13Å; K114-A123 HydrophobicContact CD-CB 4.38Å; K114-A123 HydrophobicContact CG-CB 3.94Å; A123-W125 VanDerWaalsContact CB-O 3.32Å; A123-W125 WeakPolarHBondContact CB-O 3.36Å; A123-W125 PolarHBondContact O-N 2.84Å
124	E	92.9	Very high	94.2	Very high	110 Å²	110	42.6 Å²	42.6	51%	0.514	28%	0.281	S	S	.	.	S	Bend	trans	-72.5	-13.5	176.3	-55.5	-166.6	137.5	0	0	112.8	K285 K286	E124-K285 PolarHBondContact O-N 3.25Å; E124-K286 HydrophobicContact CG-CD 4.25Å
125	W	97.1	Very high	94.5	Very high	8 Å²	8	44.2 Å²	44.2	3%	0.03	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.2	178.3	-72.9	86.3	0	0	0	110.4	L108 L113 A123 F259 A262 V265 F282 Y283 R284	L108-W125 WeakPolarHBondContact CD1-O 2.95Å; L108-W125 HydrophobicContact CD2-CB 4.12Å; L113-W125 HydrophobicContact CB-CB 3.9Å; L113-W125 HydrophobicContact CB-CG 4.06Å; L113-W125 HydrophobicContact CD1-CB 4.21Å; L113-W125 HydrophobicContact CD1-CD2 4.44Å; L113-W125 HydrophobicContact CD1-CG 4.2Å; L113-W125 HydrophobicContact CD2-CG 4.23Å; L113-W125 HydrophobicContact CG-CG 4.39Å; A123-W125 VanDerWaalsContact CB-O 3.32Å; A123-W125 WeakPolarHBondContact CB-O 3.36Å; A123-W125 PolarHBondContact O-N 2.84Å; W125-F259 HydrophobicContact CD2-CD1 4.29Å; W125-F259 HydrophobicContact CE3-CD1 4.2Å; W125-F259 HydrophobicContact CE3-CE1 4.45Å; W125-F259 AromaticContact CH2-CD1 3.9Å; W125-F259 HydrophobicContact CH2-CD1 3.9Å; W125-F259 HydrophobicContact CZ2-CB 4.24Å; W125-F259 AromaticContact CZ2-CD1 3.93Å; W125-F259 HydrophobicContact CZ2-CD1 3.93Å; W125-F259 WeakPolarHBondContact CZ2-O 2.99Å; W125-F259 HydrophobicContact CZ3-CD1 4.05Å; W125-F259 HydrophobicContact CZ3-CE1 4.38Å; W125-A262 WeakPolarHBondContact CH2-O 3.5Å; W125-V265 HydrophobicContact CH2-CG2 4.15Å; W125-V265 HydrophobicContact CZ3-CG2 4.28Å; W125-F282 HydrophobicContact CE3-CB 4.04Å; W125-F282 HydrophobicContact CZ3-CB 4.23Å; W125-Y283 CarbonylContact C-O 3.51Å; W125-Y283 WeakPolarHBondContact CA-O 3.48Å; W125-R284 HydrophobicContact CD2-CG 3.87Å; W125-R284 HydrophobicContact CE3-CG 3.96Å; W125-R284 HydrophobicContact CH2-CG 3.47Å; W125-R284 VanDerWaalsContact CH2-CG 3.47Å; W125-R284 HydrophobicContact CZ2-CG 3.4Å; W125-R284 VanDerWaalsContact CZ2-CG 3.4Å; W125-R284 VanDerWaalsContact CZ2-NE 3.28Å; W125-R284 HydrophobicContact CZ3-CG 3.75Å
126	G	97.9	Very high	94.9	Very high	5 Å²	5	41.4 Å²	41.4	5%	0.052	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	169.2	162.9	0	0	0	0	0	111.3	F282 Y283	G126-F282 VanDerWaalsContact O-CA 3.3Å; G126-F282 WeakPolarHBondContact O-CA 3.3Å; G126-Y283 PolarHBondContact N-O 2.75Å; G126-Y283 PolarHBondContact O-N 2.86Å
127	V	98.8	Very high	95.6	Very high	6 Å²	6	35.7 Å²	35.7	4%	0.036	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	133.2	173.9	63.3	0	0	0	0	110.2	Q104 L107 L108 V129 I280 I281 F282	Q104-V127 HydrophobicContact CB-CG1 3.85Å; Q104-V127 HydrophobicContact CG-CG1 4.05Å; L107-V127 HydrophobicContact CB-CG1 4.4Å; L107-V127 HydrophobicContact CD1-CG2 4.03Å; L108-V127 HydrophobicContact CD2-CB 4.15Å; L108-V127 HydrophobicContact CD2-CG1 4.08Å; L108-V127 HydrophobicContact CG-CG1 4.01Å; V127-V129 HydrophobicContact CG1-CG1 4.32Å; V127-V129 HydrophobicContact CG2-CG1 4.1Å; V127-I280 HydrophobicContact CG2-CB 4.45Å; V127-I281 CarbonylContact C-O 3.49Å; V127-I281 WeakPolarHBondContact CA-O 3.37Å; V127-F282 HydrophobicContact CB-CD1 3.62Å; V127-F282 HydrophobicContact CB-CE1 3.81Å; V127-F282 HydrophobicContact CB-CG 4.31Å; V127-F282 HydrophobicContact CG1-CE1 4.5Å; V127-F282 HydrophobicContact CG2-CD1 3.62Å; V127-F282 HydrophobicContact CG2-CD2 4.35Å; V127-F282 HydrophobicContact CG2-CE1 3.56Å; V127-F282 HydrophobicContact CG2-CE2 4.31Å; V127-F282 HydrophobicContact CG2-CG 4.02Å; V127-F282 HydrophobicContact CG2-CZ 3.92Å
128	N	98.8	Very high	96.4	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	123.6	167.1	-168.2	-45.6	0	0	0	109	Y84 Q130 P131 I280 I281 Y283 N309	Y84-N128 WeakPolarHBondContact CE1-ND2 3.44Å; Y84-N128 PolarHBondContact OH-ND2 2.98Å; N128-Q130 WeakPolarHBondContact OD1-CB 3.44Å; N128-Q130 PolarHBondContact OD1-N 3.37Å; N128-P131 WeakPolarHBondContact OD1-CD 3.44Å; N128-I280 WeakPolarHBondContact O-CA 3.48Å; N128-I281 HydrophobicContact CB-CB 4.5Å; N128-I281 PolarHBondContact N-O 3.38Å; N128-I281 PolarHBondContact O-N 2.93Å; N128-Y283 HydrophobicContact CB-CE1 4.24Å; N128-N309 PolarHBondContact ND2-OD1 3.06Å
129	V	98.8	Very high	96.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.2	C	C	.	.			trans	-107.3	5.7	-175.3	-60.2	0	0	0	0	113.4	E100 A103 Q104 L107 V127 P131 I280 I325 I328	E100-V129 HydrophobicContact CG-CG2 3.73Å; A103-V129 HydrophobicContact CB-CG2 4.48Å; Q104-V129 HydrophobicContact CG-CG1 4.13Å; Q104-V129 HydrophobicContact CG-CG2 4.16Å; L107-V129 HydrophobicContact CD1-CG1 3.51Å; V127-V129 HydrophobicContact CG1-CG1 4.32Å; V127-V129 HydrophobicContact CG2-CG1 4.1Å; V129-P131 VanDerWaalsContact C-CD 3.47Å; V129-I280 HydrophobicContact CG1-CG2 4.4Å; V129-I325 HydrophobicContact CG2-CD1 4.37Å; V129-I325 HydrophobicContact CG2-CG1 4.32Å; V129-I325 HydrophobicContact CG2-CG2 4.01Å; V129-I328 HydrophobicContact CB-CD1 4.5Å
130	Q	98.9	Very high	97.2	Very high	4 Å²	4	30 Å²	30	2%	0.019	18%	0.178	C	C	.	.			trans	-88.4	-15.2	-177.1	-56.2	-171.4	6.4	0	0	116.1	G83 Y84 E100 N128 Y132 V312 Q317 P320 I325	G83-Q130 PolarHBondContact O-NE2 3.27Å; Y84-Q130 VanDerWaalsContact CD1-NE2 3.34Å; Y84-Q130 HydrophobicContact CE1-CG 4.44Å; E100-Q130 PolarHBondContact OE1-NE2 3.26Å; E100-Q130 PolarHBondContact OE2-NE2 2.93Å; N128-Q130 WeakPolarHBondContact OD1-CB 3.44Å; N128-Q130 PolarHBondContact OD1-N 3.37Å; Q130-Y132 PolarHBondContact O-N 3.13Å; Q130-V312 HydrophobicContact CB-CG1 4.06Å; Q130-Q317 PolarHBondContact O-NE2 2.62Å; Q130-P320 HydrophobicContact CB-CB 4.24Å; Q130-P320 HydrophobicContact CG-CB 3.95Å; Q130-I325 HydrophobicContact CG-CD1 4.2Å
131	P	98.9	Very high	97.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.169	C	C	.	.			trans	-57.4	129.7	178.5	-25	32.7	0	0	0	113.1	N128 V129 S133 A137 S278 G279 I281 V312	N128-P131 WeakPolarHBondContact OD1-CD 3.44Å; V129-P131 VanDerWaalsContact C-CD 3.47Å; P131-S133 PolarHBondContact O-N 3.4Å; P131-A137 HydrophobicContact CB-CB 3.65Å; P131-A137 HydrophobicContact CG-CB 4.02Å; P131-S278 PolarHBondContact O-OG 2.9Å; P131-G279 WeakPolarHBondContact CD-O 3.2Å; P131-G279 PolarHBondContact O-N 3.32Å; P131-I281 HydrophobicContact CG-CD1 3.68Å; P131-I281 HydrophobicContact CG-CG1 3.93Å; P131-V312 HydrophobicContact CG-CG2 4.31Å
132	Y	98.7	Very high	97.8	Very high	78 Å²	78	25.2 Å²	25.2	31%	0.306	14%	0.138	S	C	.	.	S	Bend	trans	-66.9	-22.7	-174.8	-58.7	-34.4	0	0	0	114	Q130 Q317 G319 H321	Q130-Y132 PolarHBondContact O-N 3.13Å; Y132-Q317 HydrophobicContact CD2-CG 4.11Å; Y132-Q317 HydrophobicContact CE2-CB 3.91Å; Y132-Q317 HydrophobicContact CE2-CG 3.78Å; Y132-G319 PolarHBondContact OH-O 3.06Å; Y132-H321 AromaticContact CD1-CD2 3.91Å; Y132-H321 AromaticContact CD1-NE2 3.9Å; Y132-H321 AromaticContact CE1-CD2 3.52Å; Y132-H321 AromaticContact CE1-NE2 3.66Å
133	S	98.7	Very high	98.1	Very high	44 Å²	44	22.7 Å²	22.7	31%	0.308	13%	0.127	S	C	.	.	S	Bend	trans	-164.2	-179.3	175.3	-165.3	0	0	0	0	110.5	P131 P136 A137	P131-S133 PolarHBondContact O-N 3.4Å; S133-P136 WeakPolarHBondContact O-CD 3.42Å; S133-A137 WeakPolarHBondContact O-CB 3.44Å; S133-A137 PolarHBondContact O-N 2.73Å
134	G	98.4	Very high	98.4	Very high	9 Å²	9	23 Å²	23	9%	0.093	13%	0.131	C	C	.	.	H	α-helix	trans	-64.6	-39.1	179.3	0	0	0	0	0	114	A137 N138	G134-A137 WeakPolarHBondContact O-CB 3.35Å; G134-A137 PolarHBondContact O-N 2.67Å; G134-N138 PolarHBondContact O-N 3.22Å
135	S	98.7	Very high	98.6	Very high	55 Å²	55	18 Å²	18	39%	0.385	11%	0.108	S	C	.	.	H	α-helix	trans	-66.2	-48.1	179.7	-51.7	0	0	0	0	112.8	A137 N138 F139 T164	S135-A137 VanDerWaalsContact C-N 3.3Å; S135-A137 PolarHBondContact O-N 2.85Å; S135-N138 PolarHBondContact O-N 2.84Å; S135-F139 PolarHBondContact O-N 3.19Å; S135-T164 VanDerWaalsContact CB-CG2 3.44Å; S135-T164 VanDerWaalsContact OG-CG2 3.28Å; S135-T164 WeakPolarHBondContact OG-CG2 3.41Å
136	P	98.8	Very high	98.6	Very high	49 Å²	49	18 Å²	18	32%	0.318	11%	0.108	S	C	.	.	H	α-helix	trans	-59.6	-36.8	169.7	-25.1	35.1	0	0	0	113.5	S133 F139 A140	S133-P136 WeakPolarHBondContact O-CD 3.42Å; P136-F139 PolarHBondContact O-N 3.36Å; P136-A140 WeakPolarHBondContact O-CB 3.41Å; P136-A140 PolarHBondContact O-N 3.39Å
137	A	98.9	Very high	98.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.5	-49.7	177.3	0	0	0	0	0	111.8	P131 S133 G134 S135 F139 A140 V141 I281	P131-A137 HydrophobicContact CB-CB 3.65Å; P131-A137 HydrophobicContact CG-CB 4.02Å; S133-A137 WeakPolarHBondContact O-CB 3.44Å; S133-A137 PolarHBondContact O-N 2.73Å; G134-A137 WeakPolarHBondContact O-CB 3.35Å; G134-A137 PolarHBondContact O-N 2.67Å; S135-A137 VanDerWaalsContact C-N 3.3Å; S135-A137 PolarHBondContact O-N 2.85Å; A137-F139 PolarHBondContact O-N 3.36Å; A137-A140 PolarHBondContact O-N 3.5Å; A137-V141 WeakPolarHBondContact O-CG2 3.45Å; A137-V141 PolarHBondContact O-N 2.87Å; A137-V141 VanDerWaalsContact O-N 3.11Å; A137-I281 HydrophobicContact CB-CD1 4.23Å; A137-I281 HydrophobicContact CB-CG1 3.87Å; A137-I281 WeakPolarHBondContact O-CD1 3.29Å
138	N	98.8	Very high	98.6	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.011	16%	0.158	C	C	.	.	H	α-helix	trans	-60.5	-44.9	175.3	-78.9	-20	0	0	0	111.9	G134 S135 A140 V141 Y142 T164 D242 S266	G134-N138 PolarHBondContact O-N 3.22Å; S135-N138 PolarHBondContact O-N 2.84Å; N138-A140 VanDerWaalsContact C-N 3.33Å; N138-A140 PolarHBondContact O-N 3.33Å; N138-V141 WeakPolarHBondContact O-CB 3.13Å; N138-V141 PolarHBondContact O-N 2.9Å; N138-Y142 HydrophobicContact CB-CE2 4.04Å; N138-Y142 WeakPolarHBondContact O-CD1 3.27Å; N138-Y142 VanDerWaalsContact O-CD2 3.22Å; N138-Y142 WeakPolarHBondContact O-CD2 3.44Å; N138-Y142 WeakPolarHBondContact O-CE2 3.4Å; N138-Y142 PolarHBondContact O-N 2.89Å; N138-T164 PolarHBondContact ND2-OG1 2.87Å; N138-D242 PolarHBondContact ND2-OD2 3.38Å; N138-S266 VanDerWaalsContact OD1-CB 3.27Å; N138-S266 WeakPolarHBondContact OD1-CB 2.97Å; N138-S266 PolarHBondContact OD1-OG 3.4Å
139	F	98.8	Very high	98.6	Very high	43 Å²	43	32.4 Å²	32.4	19%	0.189	18%	0.184	C	C	.	.	H	α-helix	trans	-64.1	-38.1	-179.9	-160.9	-98.3	0	0	0	112.3	S135 P136 A137 Y142 T143 A176 F180 F181 L316	S135-F139 PolarHBondContact O-N 3.19Å; P136-F139 PolarHBondContact O-N 3.36Å; A137-F139 PolarHBondContact O-N 3.36Å; F139-Y142 HydrophobicContact CD2-CD2 4.36Å; F139-Y142 PolarHBondContact O-N 2.85Å; F139-T143 WeakPolarHBondContact O-CB 3.28Å; F139-T143 PolarHBondContact O-N 3.38Å; F139-T143 PolarHBondContact O-OG1 3.22Å; F139-T143 VanDerWaalsContact O-OG1 3.12Å; F139-A176 HydrophobicContact CD2-CB 4.49Å; F139-A176 HydrophobicContact CE2-CB 4.08Å; F139-F180 AromaticContact CE2-CD2 3.82Å; F139-F180 HydrophobicContact CE2-CD2 3.82Å; F139-F180 HydrophobicContact CZ-CB 4.35Å; F139-F180 AromaticContact CZ-CD2 3.52Å; F139-F180 HydrophobicContact CZ-CD2 3.52Å; F139-F180 HydrophobicContact CZ-CE2 4.08Å; F139-F180 HydrophobicContact CZ-CG 4.11Å; F139-F181 HydrophobicContact CD2-CE2 4.45Å; F139-F181 AromaticContact CE2-CE2 3.93Å; F139-F181 HydrophobicContact CE2-CE2 3.93Å; F139-F181 HydrophobicContact CZ-CE2 4.3Å; F139-L316 HydrophobicContact CD1-CD1 3.94Å; F139-L316 HydrophobicContact CD1-CD2 4.06Å; F139-L316 HydrophobicContact CE1-CD2 4.02Å
140	A	98.9	Very high	98.5	Very high	3 Å²	3	33.7 Å²	33.7	3%	0.025	19%	0.191	C	C	.	.	H	α-helix	trans	-64.4	-37.8	174.4	0	0	0	0	0	112.8	P136 A137 N138 T143 G144 I281 A311 V312 L316	P136-A140 WeakPolarHBondContact O-CB 3.41Å; P136-A140 PolarHBondContact O-N 3.39Å; A137-A140 PolarHBondContact O-N 3.5Å; N138-A140 VanDerWaalsContact C-N 3.33Å; N138-A140 PolarHBondContact O-N 3.33Å; A140-T143 PolarHBondContact O-N 2.73Å; A140-G144 PolarHBondContact O-N 3.48Å; A140-I281 HydrophobicContact CB-CD1 4.1Å; A140-A311 VanDerWaalsContact O-CB 3.25Å; A140-A311 WeakPolarHBondContact O-CB 3.48Å; A140-V312 HydrophobicContact CB-CG2 3.71Å; A140-L316 VanDerWaalsContact CA-CD1 3.46Å; A140-L316 HydrophobicContact CB-CD1 3.77Å
141	V	98.8	Very high	98.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.1	-49.1	170.7	174.7	0	0	0	0	110.1	A137 N138 G144 L145 L211 L240 V264 I281	A137-V141 WeakPolarHBondContact O-CG2 3.45Å; A137-V141 PolarHBondContact O-N 2.87Å; A137-V141 VanDerWaalsContact O-N 3.11Å; N138-V141 WeakPolarHBondContact O-CB 3.13Å; N138-V141 PolarHBondContact O-N 2.9Å; V141-G144 PolarHBondContact O-N 3.04Å; V141-L145 HydrophobicContact CG1-CD1 3.69Å; V141-L145 HydrophobicContact CG1-CG 4.3Å; V141-L145 VanDerWaalsContact O-CB 3.25Å; V141-L145 WeakPolarHBondContact O-CB 3.41Å; V141-L145 WeakPolarHBondContact O-CG 3.29Å; V141-L145 PolarHBondContact O-N 3.18Å; V141-L211 HydrophobicContact CG1-CD1 4.22Å; V141-L240 HydrophobicContact CB-CD2 4.48Å; V141-L240 HydrophobicContact CG1-CD1 4.26Å; V141-L240 HydrophobicContact CG1-CD2 4.05Å; V141-L240 HydrophobicContact CG2-CD1 4.5Å; V141-V264 HydrophobicContact CG1-CG1 4.05Å; V141-V264 HydrophobicContact CG2-CG1 3.85Å; V141-I281 HydrophobicContact CG2-CB 4.5Å; V141-I281 HydrophobicContact CG2-CD1 4.03Å; V141-I281 HydrophobicContact CG2-CG1 4.1Å; V141-I281 HydrophobicContact CG2-CG2 3.55Å
142	Y	98.7	Very high	98.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63	-47.2	-179.8	-46.5	-35.7	0	0	0	111.6	N138 F139 G144 L145 L146 L152 T164 T177 F181 L211 I213 L240	N138-Y142 HydrophobicContact CB-CE2 4.04Å; N138-Y142 WeakPolarHBondContact O-CD1 3.27Å; N138-Y142 VanDerWaalsContact O-CD2 3.22Å; N138-Y142 WeakPolarHBondContact O-CD2 3.44Å; N138-Y142 WeakPolarHBondContact O-CE2 3.4Å; N138-Y142 PolarHBondContact O-N 2.89Å; F139-Y142 HydrophobicContact CD2-CD2 4.36Å; F139-Y142 PolarHBondContact O-N 2.85Å; Y142-G144 VanDerWaalsContact C-N 3.31Å; Y142-G144 PolarHBondContact O-N 2.96Å; Y142-L145 PolarHBondContact O-N 3.49Å; Y142-L146 WeakPolarHBondContact O-CA 3.18Å; Y142-L146 WeakPolarHBondContact O-CB 3.36Å; Y142-L146 PolarHBondContact O-N 2.95Å; Y142-L152 HydrophobicContact CD1-CD2 4.34Å; Y142-L152 HydrophobicContact CG-CD2 4.35Å; Y142-T164 VanDerWaalsContact CE2-O 3.23Å; Y142-T164 WeakPolarHBondContact CE2-O 3.49Å; Y142-T164 PolarHBondContact OH-O 2.95Å; Y142-T177 HydrophobicContact CD2-CG2 4.05Å; Y142-T177 HydrophobicContact CE2-CG2 3.77Å; Y142-F181 VanDerWaalsContact CB-CE2 3.42Å; Y142-F181 HydrophobicContact CD2-CD2 4.43Å; Y142-F181 HydrophobicContact CD2-CE2 4.2Å; Y142-F181 HydrophobicContact CG-CE2 4.26Å; Y142-L211 HydrophobicContact CD1-CD1 4.33Å; Y142-L211 HydrophobicContact CE1-CD2 4.24Å; Y142-I213 HydrophobicContact CE1-CD1 3.94Å; Y142-I213 HydrophobicContact CE1-CG1 4.48Å; Y142-I213 VanDerWaalsContact OH-CD1 3.23Å; Y142-I213 WeakPolarHBondContact OH-CD1 3.39Å; Y142-L240 HydrophobicContact CD1-CD2 4.49Å; Y142-L240 HydrophobicContact CE1-CD2 3.64Å
143	T	98.6	Very high	98.5	Very high	54 Å²	54	35.4 Å²	35.4	33%	0.331	20%	0.197	S	C	.	.	H	α-helix	trans	-62.3	-35.6	179.2	-62.2	0	0	0	0	113	F139 A140 A311 L316	F139-T143 WeakPolarHBondContact O-CB 3.28Å; F139-T143 PolarHBondContact O-N 3.38Å; F139-T143 PolarHBondContact O-OG1 3.22Å; F139-T143 VanDerWaalsContact O-OG1 3.12Å; A140-T143 PolarHBondContact O-N 2.73Å; T143-A311 HydrophobicContact CG2-CB 4.31Å; T143-L316 HydrophobicContact CG2-CD1 4.33Å; T143-L316 HydrophobicContact CG2-CG 4.44Å
144	G	98.4	Very high	98.5	Very high	12 Å²	12	33.4 Å²	33.4	12%	0.124	18%	0.184	C	C	.	.	H	α-helix	trans	-74.5	-33.6	177.6	0	0	0	0	0	113.4	A140 V141 Y142 R307	A140-G144 PolarHBondContact O-N 3.48Å; V141-G144 PolarHBondContact O-N 3.04Å; Y142-G144 VanDerWaalsContact C-N 3.31Å; Y142-G144 PolarHBondContact O-N 2.96Å; G144-R307 WeakPolarHBondContact CA-O 3.26Å; G144-R307 WeakPolarHBondContact O-CB 3.41Å
145	L	98.2	Very high	98.5	Very high	6 Å²	6	33 Å²	33	3%	0.031	18%	0.18	C	C	.	.	H	α-helix	trans	-99.6	-32.4	-170.4	-62.7	-168.1	0	0	0	113.2	V141 Y142 L211 V238 V264 I299 L304 R307 I308	V141-L145 HydrophobicContact CG1-CD1 3.69Å; V141-L145 HydrophobicContact CG1-CG 4.3Å; V141-L145 VanDerWaalsContact O-CB 3.25Å; V141-L145 WeakPolarHBondContact O-CB 3.41Å; V141-L145 WeakPolarHBondContact O-CG 3.29Å; V141-L145 PolarHBondContact O-N 3.18Å; Y142-L145 PolarHBondContact O-N 3.49Å; L145-L211 HydrophobicContact CD1-CD1 4.28Å; L145-V238 HydrophobicContact CD1-CG1 4.04Å; L145-V264 HydrophobicContact CD1-CG2 4.05Å; L145-I299 HydrophobicContact CB-CD1 3.45Å; L145-I299 VanDerWaalsContact CB-CD1 3.45Å; L145-I299 HydrophobicContact CD1-CD1 4.5Å; L145-I299 HydrophobicContact CD2-CD1 4.12Å; L145-I299 HydrophobicContact CD2-CG2 4.17Å; L145-I299 HydrophobicContact CG-CD1 4.2Å; L145-I299 WeakPolarHBondContact O-CD1 3.36Å; L145-L304 HydrophobicContact CD1-CD2 4.11Å; L145-L304 HydrophobicContact CD2-CD2 3.55Å; L145-R307 HydrophobicContact CD2-CB 4.12Å; L145-I308 HydrophobicContact CD2-CG1 4.27Å; L145-I308 HydrophobicContact CG-CG1 4.49Å
146	L	98.2	Very high	98.3	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.037	17%	0.167	C	C	.	.			trans	-114.1	145.9	-171.5	-54.7	-176.4	0	0	0	110.7	Y142 D150 L152 F181 K210 L211	Y142-L146 WeakPolarHBondContact O-CA 3.18Å; Y142-L146 WeakPolarHBondContact O-CB 3.36Å; Y142-L146 PolarHBondContact O-N 2.95Å; L146-D150 HydrophobicContact CB-CB 4Å; L146-D150 HydrophobicContact CD2-CB 4.33Å; L146-L152 HydrophobicContact CD1-CB 4.21Å; L146-L152 HydrophobicContact CD1-CD2 3.89Å; L146-F181 HydrophobicContact CB-CD1 3.9Å; L146-F181 HydrophobicContact CB-CE1 3.62Å; L146-F181 HydrophobicContact CD1-CD1 4.12Å; L146-F181 HydrophobicContact CD1-CE1 4.41Å; L146-K210 HydrophobicContact CD2-CB 3.56Å; L146-K210 HydrophobicContact CD2-CD 4.31Å; L146-L211 HydrophobicContact CD1-CB 4.26Å; L146-L211 HydrophobicContact CD2-CB 4.17Å
147	N	97.6	Very high	98	Very high	104 Å²	104	31.5 Å²	31.5	56%	0.556	16%	0.163	S	C	*	.			trans	-78.2	157.9	163.2	-61.7	-55.2	0	0	0	109.8	H149 D150 F181	N147-H149 PolarHBondContact O-N 3.31Å; N147-D150 WeakPolarHBondContact CB-OD2 3.41Å; N147-D150 PolarHBondContact N-OD2 3.29Å; N147-D150 VanDerWaalsContact O-CB 3.31Å; N147-D150 WeakPolarHBondContact O-CB 2.77Å; N147-D150 PolarHBondContact O-N 3.01Å; N147-F181 WeakPolarHBondContact O-CD1 3.44Å
148	P	98.1	Very high	97.7	Very high	90 Å²	90	33.2 Å²	33.2	58%	0.584	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.2	136.1	166.6	-26.8	35.5	0	0	0	111.3	D150 F180	P148-D150 PolarHBondContact O-N 3.26Å; P148-F180 CarbonylContact C-O 3.55Å; P148-F180 WeakPolarHBondContact CA-O 3.4Å
149	H	98	Very high	97.5	Very high	120 Å²	120	34 Å²	34	56%	0.556	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.2	3.4	-176.8	-47	-67.6	0	0	0	116.8	N147 F180 E182	N147-H149 PolarHBondContact O-N 3.31Å; H149-F180 PolarHBondContact N-O 3.16Å; H149-E182 HydrophobicContact CB-CG 4.35Å; H149-E182 IonicContact ND1-OE1 3.63Å; H149-E182 WeakPolarHBondContact O-CG 3.45Å
150	D	98.2	Very high	97.2	Very high	28 Å²	28	32.1 Å²	32.1	15%	0.15	17%	0.171	C	C	.	.			trans	-61.6	150.4	165.4	-80.8	-29.5	0	0	0	110.8	L146 N147 P148 E182 K210	L146-D150 HydrophobicContact CB-CB 4Å; L146-D150 HydrophobicContact CD2-CB 4.33Å; N147-D150 WeakPolarHBondContact CB-OD2 3.41Å; N147-D150 PolarHBondContact N-OD2 3.29Å; N147-D150 VanDerWaalsContact O-CB 3.31Å; N147-D150 WeakPolarHBondContact O-CB 2.77Å; N147-D150 PolarHBondContact O-N 3.01Å; P148-D150 PolarHBondContact O-N 3.26Å; D150-E182 PolarHBondContact O-N 3.32Å; D150-K210 HydrophobicContact CB-CD 4.08Å; D150-K210 WeakPolarHBondContact OD1-CE 3.36Å; D150-K210 IonicContact OD1-NZ 2.68Å; D150-K210 PolarHBondContact OD1-NZ 3.36Å; D150-K210 WeakPolarHBondContact OD2-CD 3.45Å; D150-K210 WeakPolarHBondContact OD2-CE 3.44Å; D150-K210 IonicContact OD2-NZ 3.81Å; D150-K210 PolarHBondContact OD2-NZ 2.87Å
151	R	98.3	Very high	97.1	Very high	117 Å²	117	32 Å²	32	44%	0.442	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	138.2	-175.7	-68.1	172.9	-173.2	169.7	1.9	111.7	E182 I184 V207 P209 K210	R151-E182 VanDerWaalsContact CA-O 3.29Å; R151-E182 WeakPolarHBondContact CA-O 3.42Å; R151-E182 HydrophobicContact CG-CB 3.97Å; R151-I184 HydrophobicContact CG-CD1 4.31Å; R151-V207 WeakPolarHBondContact CD-O 3.22Å; R151-V207 PolarHBondContact NH1-O 3.16Å; R151-P209 HydrophobicContact CB-CB 4.46Å; R151-K210 PolarHBondContact O-N 2.77Å
152	L	98.5	Very high	97	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	153.9	169.9	64	86.5	0	0	0	111.2	Y142 L146 H165 T177 F181 E182 S183 I184 L211 I213	Y142-L152 HydrophobicContact CD1-CD2 4.34Å; Y142-L152 HydrophobicContact CG-CD2 4.35Å; L146-L152 HydrophobicContact CD1-CB 4.21Å; L146-L152 HydrophobicContact CD1-CD2 3.89Å; L152-H165 WeakPolarHBondContact CD1-O 3.26Å; L152-T177 HydrophobicContact CD1-CG2 3.98Å; L152-T177 HydrophobicContact CD2-CG2 3.67Å; L152-T177 HydrophobicContact CG-CG2 4.4Å; L152-F181 HydrophobicContact CD2-CB 3.77Å; L152-F181 HydrophobicContact CD2-CD2 4.34Å; L152-F181 HydrophobicContact CD2-CG 4.1Å; L152-F181 HydrophobicContact CG-CB 4.49Å; L152-E182 PolarHBondContact N-O 3.35Å; L152-S183 WeakPolarHBondContact O-CA 3.34Å; L152-I184 PolarHBondContact O-N 3.4Å; L152-L211 CarbonylContact C-O 3.59Å; L152-L211 WeakPolarHBondContact CA-O 3.41Å; L152-L211 HydrophobicContact CB-CB 4.37Å; L152-L211 HydrophobicContact CB-CD2 4.4Å; L152-I213 HydrophobicContact CD1-CD1 4.09Å
153	M	98.7	Very high	96.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.4	175.2	-70	179.4	71.2	0	0	112.5	I184 Y186 D203 A204 V207 P209 L211 I212 I213	M153-I184 WeakPolarHBondContact CA-O 3.49Å; M153-I184 WeakPolarHBondContact CB-O 3.18Å; M153-I184 HydrophobicContact CG-CB 4.06Å; M153-I184 HydrophobicContact CG-CG2 4.47Å; M153-I184 WeakPolarHBondContact CG-O 3.37Å; M153-Y186 HydrophobicContact CB-CD1 4.34Å; M153-D203 HydrophobicContact CE-CB 3.82Å; M153-A204 HydrophobicContact SD-CB 4.07Å; M153-V207 HydrophobicContact SD-CG2 3.95Å; M153-P209 HydrophobicContact CB-CB 4.47Å; M153-P209 HydrophobicContact CG-CB 3.88Å; M153-P209 HydrophobicContact CG-CG 3.91Å; M153-P209 HydrophobicContact SD-CB 4.26Å; M153-P209 HydrophobicContact SD-CG 3.65Å; M153-L211 PolarHBondContact N-O 3.09Å; M153-I212 HydrophobicContact CB-CG1 4.33Å; M153-I213 WeakPolarHBondContact O-CG1 3.37Å; M153-I213 PolarHBondContact O-N 3.23Å
154	G	98.5	Very high	96.9	Very high	3 Å²	3	36.6 Å²	36.6	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	162.2	178	0	0	0	0	0	111.6	H156 I184 P185 Y186	G154-H156 PolarHBondContact O-N 3.29Å; G154-I184 PolarHBondContact N-O 2.94Å; G154-P185 CarbonylContact O-C 3.54Å; G154-P185 VanDerWaalsContact O-CA 3.26Å; G154-P185 WeakPolarHBondContact O-CA 3.2Å; G154-Y186 VanDerWaalsContact C-CD1 3.41Å; G154-Y186 VanDerWaalsContact CA-CE1 3.45Å; G154-Y186 WeakPolarHBondContact O-CD1 3.26Å; G154-Y186 PolarHBondContact O-N 3.4Å
155	L	98	Very high	96.9	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	134.3	178	-179	58.8	0	0	0	109.4	L157 D159 G161 Y186 L188 I195 I216	L155-L157 PolarHBondContact O-N 3.3Å; L155-D159 HydrophobicContact CD1-CB 4.01Å; L155-D159 HydrophobicContact CG-CB 4.44Å; L155-G161 WeakPolarHBondContact O-CA 3.33Å; L155-Y186 HydrophobicContact CB-CD2 4.22Å; L155-Y186 HydrophobicContact CB-CE2 3.5Å; L155-Y186 VanDerWaalsContact CB-CE2 3.5Å; L155-Y186 HydrophobicContact CD1-CD2 3.8Å; L155-Y186 HydrophobicContact CD1-CE2 3.64Å; L155-Y186 HydrophobicContact CG-CE2 4.11Å; L155-Y186 VanDerWaalsContact N-CE1 3.27Å; L155-Y186 PolarHBondContact N-OH 3.05Å; L155-L188 HydrophobicContact CD1-CD2 4.09Å; L155-I195 HydrophobicContact CD1-CG1 4.3Å; L155-I216 HydrophobicContact CD2-CG2 4.27Å
156	H	95.4	Very high	96.9	Very high	27 Å²	27	36.3 Å²	36.3	13%	0.125	19%	0.189	C	C	.	.			trans	-56.5	134	178.3	-165.5	51.5	0	0	0	110.8	G154 P158 D159 G160 G161 P185 Y186 R187	G154-H156 PolarHBondContact O-N 3.29Å; H156-P158 VanDerWaalsContact CD2-CD 3.47Å; H156-P158 WeakPolarHBondContact CD2-CD 3.45Å; H156-D159 HydrophobicContact CB-CB 3.94Å; H156-D159 IonicContact CD2-OD1 2.66Å; H156-D159 CarbonylContact O-C 3.54Å; H156-D159 WeakPolarHBondContact O-CA 3.25Å; H156-D159 WeakPolarHBondContact O-CB 3.34Å; H156-D159 PolarHBondContact O-N 3.04Å; H156-G160 PolarHBondContact O-N 3.03Å; H156-G161 PolarHBondContact O-N 2.97Å; H156-G161 VanDerWaalsContact O-N 3.09Å; H156-P185 HydrophobicContact CB-CB 3.8Å; H156-Y186 PolarHBondContact N-O 3.09Å; H156-R187 HydrophobicContact CB-CG 4.12Å; H156-R187 PolarHBondContact CD2-NH1 2.72Å; H156-R187 PolarHBondContact CE1-NH2 2.88Å; H156-R187 PolarHBondContact NE2-NH1 3.48Å; H156-R187 PolarHBondContact NE2-NH2 3.24Å; H156-R187 VanDerWaalsContact NE2-NH2 3.19Å
157	L	93.3	Very high	96.8	Very high	44 Å²	44	37.5 Å²	37.5	23%	0.23	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-55.8	-48.9	-174.7	173.3	70.2	0	0	0	112.9	L155 D159 G160 G161 L163 F167	L155-L157 PolarHBondContact O-N 3.3Å; L157-D159 PolarHBondContact O-N 2.81Å; L157-G160 PolarHBondContact O-N 3.26Å; L157-G160 VanDerWaalsContact O-N 3.08Å; L157-G161 WeakPolarHBondContact CD1-O 3.28Å; L157-L163 HydrophobicContact CD1-CG 4.33Å; L157-L163 HydrophobicContact CD2-CD2 3.6Å; L157-L163 HydrophobicContact CD2-CG 4.09Å; L157-F167 HydrophobicContact CB-CB 4.47Å; L157-F167 HydrophobicContact CB-CD2 3.67Å; L157-F167 HydrophobicContact CB-CE2 4.12Å; L157-F167 HydrophobicContact CB-CG 4.12Å; L157-F167 HydrophobicContact CD2-CB 4.21Å; L157-F167 HydrophobicContact CD2-CD1 3.54Å; L157-F167 HydrophobicContact CD2-CD2 3.72Å; L157-F167 HydrophobicContact CD2-CE1 3.75Å; L157-F167 HydrophobicContact CD2-CE2 3.91Å; L157-F167 HydrophobicContact CD2-CG 3.54Å; L157-F167 HydrophobicContact CD2-CZ 3.93Å; L157-F167 HydrophobicContact CG-CD2 4.33Å; L157-F167 HydrophobicContact CG-CG 4.49Å
158	P	91.7	Very high	96.6	Very high	36 Å²	36	36.3 Å²	36.3	23%	0.234	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-58.4	-24.5	173.9	-28.4	34.3	0	0	0	116	H156 G160 T411	H156-P158 VanDerWaalsContact CD2-CD 3.47Å; H156-P158 WeakPolarHBondContact CD2-CD 3.45Å; P158-G160 VanDerWaalsContact C-N 3.29Å; P158-T411 VanDerWaalsContact CA-OG1 3.28Å; P158-T411 WeakPolarHBondContact CA-OG1 3.47Å; P158-T411 PolarHBondContact O-OG1 3.08Å
159	D	93.6	Very high	96.3	Very high	20 Å²	20	35.1 Å²	35.1	11%	0.107	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-90.4	5.2	-178.4	-73	14.3	0	0	0	111.8	L155 H156 L157 R187 L188	L155-D159 HydrophobicContact CD1-CB 4.01Å; L155-D159 HydrophobicContact CG-CB 4.44Å; H156-D159 HydrophobicContact CB-CB 3.94Å; H156-D159 IonicContact CD2-OD1 2.66Å; H156-D159 CarbonylContact O-C 3.54Å; H156-D159 WeakPolarHBondContact O-CA 3.25Å; H156-D159 WeakPolarHBondContact O-CB 3.34Å; H156-D159 PolarHBondContact O-N 3.04Å; L157-D159 PolarHBondContact O-N 2.81Å; D159-R187 VanDerWaalsContact OD2-CA 3.29Å; D159-R187 WeakPolarHBondContact OD2-CA 3.1Å; D159-R187 VanDerWaalsContact OD2-CB 3.25Å; D159-R187 WeakPolarHBondContact OD2-CB 3.37Å; D159-R187 WeakPolarHBondContact OD2-CG 3.45Å; D159-L188 HydrophobicContact CB-CD1 4.11Å; D159-L188 HydrophobicContact CB-CG 3.87Å; D159-L188 WeakPolarHBondContact O-CD1 3.27Å; D159-L188 PolarHBondContact OD2-N 2.96Å; D159-L188 VanDerWaalsContact OD2-N 3.13Å
160	G	94.3	Very high	95.9	Very high	2 Å²	2	38.6 Å²	38.6	2%	0.021	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.7	9.3	175.1	0	0	0	0	0	115.3	H156 L157 P158 T217 A218	H156-G160 PolarHBondContact O-N 3.03Å; L157-G160 PolarHBondContact O-N 3.26Å; L157-G160 VanDerWaalsContact O-N 3.08Å; P158-G160 VanDerWaalsContact C-N 3.29Å; G160-T217 WeakPolarHBondContact O-CA 3.35Å; G160-T217 PolarHBondContact O-N 3.17Å; G160-A218 PolarHBondContact O-N 2.76Å
161	G	95.9	Very high	95.6	Very high	2 Å²	2	42.8 Å²	42.8	2%	0.021	23%	0.229	C	C	.	.			trans	-70.7	-175.5	170.3	0	0	0	0	0	113.6	L155 H156 L157 T217	L155-G161 WeakPolarHBondContact O-CA 3.33Å; H156-G161 PolarHBondContact O-N 2.97Å; H156-G161 VanDerWaalsContact O-N 3.09Å; L157-G161 WeakPolarHBondContact CD1-O 3.28Å; G161-T217 WeakPolarHBondContact O-CB 3.43Å
162	H	97.1	Very high	95.4	Very high	53 Å²	53	43.5 Å²	43.5	25%	0.245	24%	0.236	C	C	.	.			trans	-114.7	152.5	176.3	-167.5	-110.4	0	0	0	111.6	T164 H165 T217	H162-T164 WeakPolarHBondContact ND1-CG2 3.43Å; H162-T164 PolarHBondContact ND1-N 3.39Å; H162-T164 PolarHBondContact ND1-OG1 2.67Å; H162-T164 PolarHBondContact O-N 2.88Å; H162-T164 VanDerWaalsContact O-N 3.09Å; H162-H165 PolarHBondContact N-ND1 2.93Å; H162-H165 WeakPolarHBondContact O-CB 3.25Å; H162-H165 PolarHBondContact O-N 3.07Å; H162-T217 WeakPolarHBondContact CB-OG1 3.44Å; H162-T217 PolarHBondContact CD2-OG1 3.16Å
163	L	96.6	Very high	95.3	Very high	82 Å²	82	47 Å²	47	43%	0.429	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-52.6	-35.8	177.9	-80.3	164.8	0	0	0	112.8	L157 H165 G166 F167 S175	L157-L163 HydrophobicContact CD1-CG 4.33Å; L157-L163 HydrophobicContact CD2-CD2 3.6Å; L157-L163 HydrophobicContact CD2-CG 4.09Å; L163-H165 PolarHBondContact O-N 3.24Å; L163-G166 PolarHBondContact O-N 3.43Å; L163-F167 HydrophobicContact CD2-CB 4.16Å; L163-F167 HydrophobicContact CD2-CD1 3.79Å; L163-F167 HydrophobicContact CD2-CG 4.29Å; L163-S175 WeakPolarHBondContact O-CB 3.37Å
164	T	98.2	Very high	95.1	Very high	14 Å²	14	50.6 Å²	50.6	9%	0.086	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-75.9	-8.7	-176.9	61.3	0	0	0	0	113.5	S135 N138 Y142 H162 G166 T177	S135-T164 VanDerWaalsContact CB-CG2 3.44Å; S135-T164 VanDerWaalsContact OG-CG2 3.28Å; S135-T164 WeakPolarHBondContact OG-CG2 3.41Å; N138-T164 PolarHBondContact ND2-OG1 2.87Å; Y142-T164 VanDerWaalsContact CE2-O 3.23Å; Y142-T164 WeakPolarHBondContact CE2-O 3.49Å; Y142-T164 PolarHBondContact OH-O 2.95Å; H162-T164 WeakPolarHBondContact ND1-CG2 3.43Å; H162-T164 PolarHBondContact ND1-N 3.39Å; H162-T164 PolarHBondContact ND1-OG1 2.67Å; H162-T164 PolarHBondContact O-N 2.88Å; H162-T164 VanDerWaalsContact O-N 3.09Å; T164-G166 VanDerWaalsContact C-N 3.25Å; T164-T177 PolarHBondContact O-OG1 3.28Å
165	H	98.5	Very high	95.1	Very high	3 Å²	3	50.9 Å²	50.9	1%	0.014	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-88.2	1.7	176.8	-53.1	162.1	0	0	0	112.2	L152 H162 L163 I213 D242	L152-H165 WeakPolarHBondContact CD1-O 3.26Å; H162-H165 PolarHBondContact N-ND1 2.93Å; H162-H165 WeakPolarHBondContact O-CB 3.25Å; H162-H165 PolarHBondContact O-N 3.07Å; L163-H165 PolarHBondContact O-N 3.24Å; H165-I213 HydrophobicContact CB-CD1 3.79Å; H165-D242 IonicContact CD2-OD2 2.85Å; H165-D242 IonicContact CE1-OD2 3.71Å; H165-D242 IonicContact NE2-OD2 2.75Å; H165-D242 PolarHBondContact NE2-OD2 2.82Å
166	G	97.5	Very high	95.1	Very high	10 Å²	10	53.1 Å²	53.1	10%	0.103	29%	0.29	C	S	.	.			trans	107	119	-177.2	0	0	0	0	0	111.5	L163 T164 S178	L163-G166 PolarHBondContact O-N 3.43Å; T164-G166 VanDerWaalsContact C-N 3.25Å; G166-S178 WeakPolarHBondContact CA-OG 3.22Å
167	F	95.9	Very high	95.3	Very high	31 Å²	31	52.1 Å²	52.1	14%	0.136	29%	0.285	C	S	.	.			trans	-144.9	128	173.3	-175.7	-121.9	0	0	0	111.9	L157 L163 T169 I174 S175 S178	L157-F167 HydrophobicContact CB-CB 4.47Å; L157-F167 HydrophobicContact CB-CD2 3.67Å; L157-F167 HydrophobicContact CB-CE2 4.12Å; L157-F167 HydrophobicContact CB-CG 4.12Å; L157-F167 HydrophobicContact CD2-CB 4.21Å; L157-F167 HydrophobicContact CD2-CD1 3.54Å; L157-F167 HydrophobicContact CD2-CD2 3.72Å; L157-F167 HydrophobicContact CD2-CE1 3.75Å; L157-F167 HydrophobicContact CD2-CE2 3.91Å; L157-F167 HydrophobicContact CD2-CG 3.54Å; L157-F167 HydrophobicContact CD2-CZ 3.93Å; L157-F167 HydrophobicContact CG-CD2 4.33Å; L157-F167 HydrophobicContact CG-CG 4.49Å; L163-F167 HydrophobicContact CD2-CB 4.16Å; L163-F167 HydrophobicContact CD2-CD1 3.79Å; L163-F167 HydrophobicContact CD2-CG 4.29Å; F167-T169 HydrophobicContact CZ-CG2 4.35Å; F167-I174 HydrophobicContact CD1-CB 3.67Å; F167-I174 HydrophobicContact CD1-CG1 3.9Å; F167-I174 HydrophobicContact CD1-CG2 3.88Å; F167-I174 HydrophobicContact CE1-CB 4.19Å; F167-I174 HydrophobicContact CE1-CG1 3.92Å; F167-I174 HydrophobicContact CE1-CG2 4.31Å; F167-I174 PolarHBondContact O-N 3.01Å; F167-S175 PolarHBondContact N-OG 3.41Å; F167-S175 PolarHBondContact O-N 3.02Å; F167-S175 PolarHBondContact O-OG 2.78Å; F167-S178 PolarHBondContact N-OG 3Å; F167-S178 PolarHBondContact O-OG 2.76Å
168	Q	94.2	Very high	95.5	Very high	80 Å²	80	50 Å²	50	37%	0.374	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-145.5	152.2	174.3	65.4	-174	21.4	0	0	110	K172 K173	Q168-K172 CarbonylContact C-O 3.5Å; Q168-K172 VanDerWaalsContact CA-O 3.31Å; Q168-K172 WeakPolarHBondContact CA-O 3.39Å; Q168-K173 HydrophobicContact CB-CB 4.49Å; Q168-K173 HydrophobicContact CB-CG 4.14Å
169	T	91.5	Very high	95.8	Very high	65 Å²	65	52.1 Å²	52.1	40%	0.399	28%	0.283	S	S	.	.			trans	-100	175.5	167.2	70.6	0	0	0	0	109.4	F167 S171 K172 I174	F167-T169 HydrophobicContact CZ-CG2 4.35Å; T169-S171 PolarHBondContact O-N 2.88Å; T169-S171 VanDerWaalsContact O-N 3.12Å; T169-S171 PolarHBondContact OG1-N 3.37Å; T169-S171 PolarHBondContact OG1-OG 3.22Å; T169-K172 PolarHBondContact N-O 2.95Å; T169-K172 PolarHBondContact O-N 2.81Å; T169-K172 PolarHBondContact OG1-N 2.93Å; T169-K172 VanDerWaalsContact OG1-N 3.15Å; T169-K172 PolarHBondContact OG1-O 3.2Å; T169-I174 HydrophobicContact CG2-CG1 4.29Å
170	L	89.2	Confident	96	Very high	192 Å²	192	56.2 Å²	56.2	100%	1.005	30%	0.3	S	S	*	.	S	Bend	trans	-56.4	-27.1	174.9	-67.6	175	0	0	0	113.4
171	S	92.5	Very high	96.3	Very high	116 Å²	116	56.4 Å²	56.4	81%	0.811	30%	0.3	S	S	*	.	S	Bend	trans	-111.3	-9.4	-174.4	57.2	0	0	0	0	114.4	T169	T169-S171 PolarHBondContact O-N 2.88Å; T169-S171 VanDerWaalsContact O-N 3.12Å; T169-S171 PolarHBondContact OG1-N 3.37Å; T169-S171 PolarHBondContact OG1-OG 3.22Å
172	K	94.6	Very high	96.4	Very high	133 Å²	133	59.5 Å²	59.5	58%	0.578	31%	0.314	S	S	*	.			trans	-156.9	130	-171.4	-168.5	173.9	176.5	179.5	0	113.6	Q168 T169 I174	Q168-K172 CarbonylContact C-O 3.5Å; Q168-K172 VanDerWaalsContact CA-O 3.31Å; Q168-K172 WeakPolarHBondContact CA-O 3.39Å; T169-K172 PolarHBondContact N-O 2.95Å; T169-K172 PolarHBondContact O-N 2.81Å; T169-K172 PolarHBondContact OG1-N 2.93Å; T169-K172 VanDerWaalsContact OG1-N 3.15Å; T169-K172 PolarHBondContact OG1-O 3.2Å; K172-I174 HydrophobicContact CB-CD1 4.06Å; K172-I174 HydrophobicContact CD-CD1 3.71Å; K172-I174 HydrophobicContact CG-CD1 3.79Å; K172-I174 PolarHBondContact O-N 3.33Å
173	K	96.1	Very high	96.4	Very high	73 Å²	73	57.4 Å²	57.4	32%	0.317	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-72.6	117.8	161.6	-73.1	172.1	162.6	-150.4	0	108.7	Q168 S178 I179 E182	Q168-K173 HydrophobicContact CB-CB 4.49Å; Q168-K173 HydrophobicContact CB-CG 4.14Å; K173-S178 WeakPolarHBondContact CD-O 3.27Å; K173-S178 WeakPolarHBondContact CE-O 3.25Å; K173-S178 PolarHBondContact NZ-O 3.17Å; K173-I179 HydrophobicContact CB-CG1 3.88Å; K173-E182 IonicContact NZ-OE1 2.98Å; K173-E182 PolarHBondContact NZ-OE1 3.2Å; K173-E182 IonicContact NZ-OE2 3.43Å; K173-E182 PolarHBondContact NZ-OE2 3.36Å
174	I	95.4	Very high	96.5	Very high	75 Å²	75	55.6 Å²	55.6	39%	0.385	30%	0.296	S	S	.	.			trans	-97.1	-50.9	-173.4	-57.5	-64.9	0	0	0	110.7	F167 T169 K172	F167-I174 HydrophobicContact CD1-CB 3.67Å; F167-I174 HydrophobicContact CD1-CG1 3.9Å; F167-I174 HydrophobicContact CD1-CG2 3.88Å; F167-I174 HydrophobicContact CE1-CB 4.19Å; F167-I174 HydrophobicContact CE1-CG1 3.92Å; F167-I174 HydrophobicContact CE1-CG2 4.31Å; F167-I174 PolarHBondContact O-N 3.01Å; T169-I174 HydrophobicContact CG2-CG1 4.29Å; K172-I174 HydrophobicContact CB-CD1 4.06Å; K172-I174 HydrophobicContact CD-CD1 3.71Å; K172-I174 HydrophobicContact CG-CD1 3.79Å; K172-I174 PolarHBondContact O-N 3.33Å
175	S	97.4	Very high	96.4	Very high	10 Å²	10	57.1 Å²	57.1	7%	0.07	31%	0.306	C	S	.	.	S	Bend	trans	-78.7	145.2	179.2	73.3	0	0	0	0	111.3	L163 F167 T177 S178 I179	L163-S175 WeakPolarHBondContact O-CB 3.37Å; F167-S175 PolarHBondContact N-OG 3.41Å; F167-S175 PolarHBondContact O-N 3.02Å; F167-S175 PolarHBondContact O-OG 2.78Å; S175-T177 PolarHBondContact O-N 2.94Å; S175-S178 PolarHBondContact O-N 3.25Å; S175-S178 VanDerWaalsContact O-N 3.09Å; S175-S178 PolarHBondContact OG-N 3.33Å; S175-S178 PolarHBondContact OG-OG 2.83Å; S175-I179 WeakPolarHBondContact O-CG1 3.34Å; S175-I179 PolarHBondContact O-N 2.81Å
176	A	98.3	Very high	96.4	Very high	48 Å²	48	57 Å²	57	40%	0.397	31%	0.306	S	S	.	.	H	α-helix	trans	-56.7	-35.5	170.4	0	0	0	0	0	111.7	F139 S178 I179 F180	F139-A176 HydrophobicContact CD2-CB 4.49Å; F139-A176 HydrophobicContact CE2-CB 4.08Å; A176-S178 VanDerWaalsContact C-N 3.34Å; A176-S178 PolarHBondContact O-N 2.98Å; A176-I179 WeakPolarHBondContact O-CB 3.33Å; A176-I179 PolarHBondContact O-N 3.4Å; A176-F180 HydrophobicContact CB-CD2 4.29Å; A176-F180 HydrophobicContact CB-CE2 4.32Å; A176-F180 VanDerWaalsContact O-CD2 3.24Å; A176-F180 WeakPolarHBondContact O-CD2 3.45Å; A176-F180 PolarHBondContact O-N 2.96Å
177	T	98.6	Very high	96.4	Very high	5 Å²	5	62.7 Å²	62.7	3%	0.031	32%	0.324	C	S	.	.	H	α-helix	trans	-52.1	-50.3	173	-51.8	0	0	0	0	111.7	Y142 L152 T164 S175 I179 F181	Y142-T177 HydrophobicContact CD2-CG2 4.05Å; Y142-T177 HydrophobicContact CE2-CG2 3.77Å; L152-T177 HydrophobicContact CD1-CG2 3.98Å; L152-T177 HydrophobicContact CD2-CG2 3.67Å; L152-T177 HydrophobicContact CG-CG2 4.4Å; T164-T177 PolarHBondContact O-OG1 3.28Å; S175-T177 PolarHBondContact O-N 2.94Å; T177-I179 VanDerWaalsContact C-N 3.29Å; T177-I179 PolarHBondContact O-N 3.37Å; T177-F181 HydrophobicContact CG2-CD2 4.44Å; T177-F181 WeakPolarHBondContact O-CA 3.18Å; T177-F181 VanDerWaalsContact O-CB 3.31Å; T177-F181 WeakPolarHBondContact O-CB 3.42Å; T177-F181 WeakPolarHBondContact O-CD2 3.42Å; T177-F181 PolarHBondContact O-N 2.84Å
178	S	98.2	Very high	96.5	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-71.1	-21.9	178.2	-54.6	0	0	0	0	113.7	G166 F167 K173 S175 A176 F181 S183	G166-S178 WeakPolarHBondContact CA-OG 3.22Å; F167-S178 PolarHBondContact N-OG 3Å; F167-S178 PolarHBondContact O-OG 2.76Å; K173-S178 WeakPolarHBondContact CD-O 3.27Å; K173-S178 WeakPolarHBondContact CE-O 3.25Å; K173-S178 PolarHBondContact NZ-O 3.17Å; S175-S178 PolarHBondContact O-N 3.25Å; S175-S178 VanDerWaalsContact O-N 3.09Å; S175-S178 PolarHBondContact OG-N 3.33Å; S175-S178 PolarHBondContact OG-OG 2.83Å; A176-S178 VanDerWaalsContact C-N 3.34Å; A176-S178 PolarHBondContact O-N 2.98Å; S178-F181 CarbonylContact C-O 3.24Å; S178-F181 WeakPolarHBondContact CA-O 3.35Å; S178-S183 WeakPolarHBondContact CB-OG 3.33Å; S178-S183 PolarHBondContact OG-OG 3.33Å
179	I	98.4	Very high	96.5	Very high	81 Å²	81	60.2 Å²	60.2	42%	0.415	32%	0.315	S	S	.	.	H	α-helix	trans	-73.2	-49.9	176.9	-66.9	171.2	0	0	0	110.2	K173 S175 A176 T177	K173-I179 HydrophobicContact CB-CG1 3.88Å; S175-I179 WeakPolarHBondContact O-CG1 3.34Å; S175-I179 PolarHBondContact O-N 2.81Å; A176-I179 WeakPolarHBondContact O-CB 3.33Å; A176-I179 PolarHBondContact O-N 3.4Å; T177-I179 VanDerWaalsContact C-N 3.29Å; T177-I179 PolarHBondContact O-N 3.37Å
180	F	98.5	Very high	96.5	Very high	106 Å²	106	64.5 Å²	64.5	47%	0.465	33%	0.327	S	S	.	.	H	α-helix	trans	-91.5	-19.9	-173.6	-63.8	-72.5	0	0	0	113.9	F139 P148 H149 A176	F139-F180 AromaticContact CE2-CD2 3.82Å; F139-F180 HydrophobicContact CE2-CD2 3.82Å; F139-F180 HydrophobicContact CZ-CB 4.35Å; F139-F180 AromaticContact CZ-CD2 3.52Å; F139-F180 HydrophobicContact CZ-CD2 3.52Å; F139-F180 HydrophobicContact CZ-CE2 4.08Å; F139-F180 HydrophobicContact CZ-CG 4.11Å; P148-F180 CarbonylContact C-O 3.55Å; P148-F180 WeakPolarHBondContact CA-O 3.4Å; H149-F180 PolarHBondContact N-O 3.16Å; A176-F180 HydrophobicContact CB-CD2 4.29Å; A176-F180 HydrophobicContact CB-CE2 4.32Å; A176-F180 VanDerWaalsContact O-CD2 3.24Å; A176-F180 WeakPolarHBondContact O-CD2 3.45Å; A176-F180 PolarHBondContact O-N 2.96Å
181	F	98.6	Very high	96.7	Very high	5 Å²	5	62.5 Å²	62.5	2%	0.022	31%	0.313	C	S	.	.	S	Bend	trans	-129.8	160.3	179.4	-51.2	-78.1	0	0	0	110.6	F139 Y142 L146 N147 L152 T177 S178 S183	F139-F181 HydrophobicContact CD2-CE2 4.45Å; F139-F181 AromaticContact CE2-CE2 3.93Å; F139-F181 HydrophobicContact CE2-CE2 3.93Å; F139-F181 HydrophobicContact CZ-CE2 4.3Å; Y142-F181 VanDerWaalsContact CB-CE2 3.42Å; Y142-F181 HydrophobicContact CD2-CD2 4.43Å; Y142-F181 HydrophobicContact CD2-CE2 4.2Å; Y142-F181 HydrophobicContact CG-CE2 4.26Å; L146-F181 HydrophobicContact CB-CD1 3.9Å; L146-F181 HydrophobicContact CB-CE1 3.62Å; L146-F181 HydrophobicContact CD1-CD1 4.12Å; L146-F181 HydrophobicContact CD1-CE1 4.41Å; N147-F181 WeakPolarHBondContact O-CD1 3.44Å; L152-F181 HydrophobicContact CD2-CB 3.77Å; L152-F181 HydrophobicContact CD2-CD2 4.34Å; L152-F181 HydrophobicContact CD2-CG 4.1Å; L152-F181 HydrophobicContact CG-CB 4.49Å; T177-F181 HydrophobicContact CG2-CD2 4.44Å; T177-F181 WeakPolarHBondContact O-CA 3.18Å; T177-F181 VanDerWaalsContact O-CB 3.31Å; T177-F181 WeakPolarHBondContact O-CB 3.42Å; T177-F181 WeakPolarHBondContact O-CD2 3.42Å; T177-F181 PolarHBondContact O-N 2.84Å; S178-F181 CarbonylContact C-O 3.24Å; S178-F181 WeakPolarHBondContact CA-O 3.35Å; F181-S183 PolarHBondContact O-N 3.16Å
182	E	98.3	Very high	96.8	Very high	67 Å²	67	60.5 Å²	60.5	31%	0.313	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	92.3	176.5	-65.6	-53	136.4	0	0	110.1	H149 D150 R151 L152 K173	H149-E182 HydrophobicContact CB-CG 4.35Å; H149-E182 IonicContact ND1-OE1 3.63Å; H149-E182 WeakPolarHBondContact O-CG 3.45Å; D150-E182 PolarHBondContact O-N 3.32Å; R151-E182 VanDerWaalsContact CA-O 3.29Å; R151-E182 WeakPolarHBondContact CA-O 3.42Å; R151-E182 HydrophobicContact CG-CB 3.97Å; L152-E182 PolarHBondContact N-O 3.35Å; K173-E182 IonicContact NZ-OE1 2.98Å; K173-E182 PolarHBondContact NZ-OE1 3.2Å; K173-E182 IonicContact NZ-OE2 3.43Å; K173-E182 PolarHBondContact NZ-OE2 3.36Å
183	S	97.9	Very high	96.9	Very high	9 Å²	9	54.5 Å²	54.5	6%	0.063	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	126.1	-178	64.7	0	0	0	0	112.5	L152 S178 F181	L152-S183 WeakPolarHBondContact O-CA 3.34Å; S178-S183 WeakPolarHBondContact CB-OG 3.33Å; S178-S183 PolarHBondContact OG-OG 3.33Å; F181-S183 PolarHBondContact O-N 3.16Å
184	I	97.8	Very high	96.9	Very high	45 Å²	45	54.2 Å²	54.2	23%	0.231	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	119	-179.9	-57.8	166.9	0	0	0	108.5	R151 L152 M153 G154 V207	R151-I184 HydrophobicContact CG-CD1 4.31Å; L152-I184 PolarHBondContact O-N 3.4Å; M153-I184 WeakPolarHBondContact CA-O 3.49Å; M153-I184 WeakPolarHBondContact CB-O 3.18Å; M153-I184 HydrophobicContact CG-CB 4.06Å; M153-I184 HydrophobicContact CG-CG2 4.47Å; M153-I184 WeakPolarHBondContact CG-O 3.37Å; G154-I184 PolarHBondContact N-O 2.94Å; I184-V207 HydrophobicContact CD1-CB 3.6Å; I184-V207 HydrophobicContact CD1-CG1 3.98Å; I184-V207 HydrophobicContact CD1-CG2 3.51Å; I184-V207 HydrophobicContact CG2-CG2 4.47Å
185	P	97.6	Very high	97	Very high	46 Å²	46	51 Å²	51	30%	0.299	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	141.8	-175.4	31	-33.6	0	0	0	112	G154 H156	G154-P185 CarbonylContact O-C 3.54Å; G154-P185 VanDerWaalsContact O-CA 3.26Å; G154-P185 WeakPolarHBondContact O-CA 3.2Å; H156-P185 HydrophobicContact CB-CB 3.8Å
186	Y	98.2	Very high	97.1	Very high	1 Å²	1	52.9 Å²	52.9	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	160.6	154.8	62.3	-100.2	0	0	0	110.2	M153 G154 L155 H156 I195 L200 I213 F228	M153-Y186 HydrophobicContact CB-CD1 4.34Å; G154-Y186 VanDerWaalsContact C-CD1 3.41Å; G154-Y186 VanDerWaalsContact CA-CE1 3.45Å; G154-Y186 WeakPolarHBondContact O-CD1 3.26Å; G154-Y186 PolarHBondContact O-N 3.4Å; L155-Y186 HydrophobicContact CB-CD2 4.22Å; L155-Y186 HydrophobicContact CB-CE2 3.5Å; L155-Y186 VanDerWaalsContact CB-CE2 3.5Å; L155-Y186 HydrophobicContact CD1-CD2 3.8Å; L155-Y186 HydrophobicContact CD1-CE2 3.64Å; L155-Y186 HydrophobicContact CG-CE2 4.11Å; L155-Y186 VanDerWaalsContact N-CE1 3.27Å; L155-Y186 PolarHBondContact N-OH 3.05Å; H156-Y186 PolarHBondContact N-O 3.09Å; Y186-I195 HydrophobicContact CD2-CG2 4.26Å; Y186-I195 HydrophobicContact CE2-CD1 4.35Å; Y186-I195 HydrophobicContact CE2-CG1 4.48Å; Y186-I195 HydrophobicContact CE2-CG2 4.26Å; Y186-L200 HydrophobicContact CD1-CD1 3.54Å; Y186-L200 HydrophobicContact CD1-CG 4.08Å; Y186-L200 HydrophobicContact CD2-CD1 3.55Å; Y186-L200 HydrophobicContact CD2-CG 4.48Å; Y186-L200 HydrophobicContact CE1-CD1 3.9Å; Y186-L200 HydrophobicContact CE2-CD1 3.92Å; Y186-L200 HydrophobicContact CG-CD1 3.34Å; Y186-L200 HydrophobicContact CG-CG 3.89Å; Y186-I213 WeakPolarHBondContact CE1-O 3.21Å; Y186-I213 PolarHBondContact OH-O 3.37Å; Y186-F228 HydrophobicContact CE1-CE1 4.11Å; Y186-F228 HydrophobicContact CE2-CE1 4.46Å; Y186-F228 HydrophobicContact CE2-CZ 4.19Å; Y186-F228 AromaticContact CZ-CE1 3.86Å; Y186-F228 AromaticContact CZ-CZ 3.85Å; Y186-F228 WeakPolarHBondContact OH-CZ 3.43Å
187	R	97.2	Very high	97.1	Very high	129 Å²	129	52.3 Å²	52.3	49%	0.487	25%	0.252	S	S	.	.			trans	-130.6	171.8	-166.4	-68.8	-175.8	177.2	-96.8	-1.9	113	H156 D159 D196	H156-R187 HydrophobicContact CB-CG 4.12Å; H156-R187 PolarHBondContact CD2-NH1 2.72Å; H156-R187 PolarHBondContact CE1-NH2 2.88Å; H156-R187 PolarHBondContact NE2-NH1 3.48Å; H156-R187 PolarHBondContact NE2-NH2 3.24Å; H156-R187 VanDerWaalsContact NE2-NH2 3.19Å; D159-R187 VanDerWaalsContact OD2-CA 3.29Å; D159-R187 WeakPolarHBondContact OD2-CA 3.1Å; D159-R187 VanDerWaalsContact OD2-CB 3.25Å; D159-R187 WeakPolarHBondContact OD2-CB 3.37Å; D159-R187 WeakPolarHBondContact OD2-CG 3.45Å; R187-D196 PolarHBondContact O-N 3.38Å; R187-D196 VanDerWaalsContact O-N 3.17Å
188	L	96.9	Very high	97.1	Very high	17 Å²	17	57.3 Å²	57.3	9%	0.089	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-83.4	151.2	168.1	-50.5	176.1	0	0	0	111	L155 D159 L194 I195 Y219 V413	L155-L188 HydrophobicContact CD1-CD2 4.09Å; D159-L188 HydrophobicContact CB-CD1 4.11Å; D159-L188 HydrophobicContact CB-CG 3.87Å; D159-L188 WeakPolarHBondContact O-CD1 3.27Å; D159-L188 PolarHBondContact OD2-N 2.96Å; D159-L188 VanDerWaalsContact OD2-N 3.13Å; L188-L194 CarbonylContact C-O 3.49Å; L188-L194 WeakPolarHBondContact CA-O 3.43Å; L188-L194 WeakPolarHBondContact CB-O 3.48Å; L188-I195 HydrophobicContact CD2-CB 4.35Å; L188-I195 HydrophobicContact CD2-CG1 3.63Å; L188-Y219 HydrophobicContact CD2-CD2 3.88Å; L188-Y219 HydrophobicContact CD2-CE2 3.74Å; L188-V413 HydrophobicContact CD1-CG2 4.14Å
189	N	95.8	Very high	97.1	Very high	42 Å²	42	59.2 Å²	59.2	23%	0.225	29%	0.294	C	S	.	.			trans	-65.8	128.2	159.4	174	-82.3	0	0	0	108.5	E191 T192 E193 L194 D196	N189-E191 VanDerWaalsContact C-N 3.29Å; N189-E191 PolarHBondContact ND2-OE2 3.27Å; N189-E191 PolarHBondContact O-N 3.25Å; N189-E191 PolarHBondContact OD1-N 3.21Å; N189-E191 PolarHBondContact OD1-OE2 3.16Å; N189-T192 WeakPolarHBondContact CB-OG1 3.5Å; N189-T192 WeakPolarHBondContact OD1-CG2 3.4Å; N189-T192 PolarHBondContact OD1-N 2.8Å; N189-T192 PolarHBondContact OD1-OG1 3.08Å; N189-E193 WeakPolarHBondContact O-CA 3.21Å; N189-E193 PolarHBondContact O-N 3.06Å; N189-L194 PolarHBondContact N-O 3.34Å; N189-D196 HydrophobicContact CB-CB 4.14Å
190	K	91.7	Very high	97.1	Very high	154 Å²	154	55.4 Å²	55.4	67%	0.67	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-24.8	-168.5	-69.7	179.2	-179	172.2	0	113.2	V413	K190-V413 HydrophobicContact CB-CG1 4.42Å; K190-V413 HydrophobicContact CG-CG1 4.29Å
191	E	92.2	Very high	97	Very high	150 Å²	150	53.3 Å²	53.3	70%	0.701	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-47.7	-176.1	-63.4	68	-149.5	0	0	110.9	N189	N189-E191 VanDerWaalsContact C-N 3.29Å; N189-E191 PolarHBondContact ND2-OE2 3.27Å; N189-E191 PolarHBondContact O-N 3.25Å; N189-E191 PolarHBondContact OD1-N 3.21Å; N189-E191 PolarHBondContact OD1-OE2 3.16Å
192	T	94.8	Very high	97	Very high	74 Å²	74	57.9 Å²	57.9	45%	0.454	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-20.1	-179.1	62.7	0	0	0	0	113	N189 L194	N189-T192 WeakPolarHBondContact CB-OG1 3.5Å; N189-T192 WeakPolarHBondContact OD1-CG2 3.4Å; N189-T192 PolarHBondContact OD1-N 2.8Å; N189-T192 PolarHBondContact OD1-OG1 3.08Å; T192-L194 PolarHBondContact O-N 3.03Å; T192-L194 PolarHBondContact OG1-N 3.05Å
193	E	96.1	Very high	97	Very high	7 Å²	7	57.8 Å²	57.8	3%	0.033	29%	0.289	C	S	.	.			trans	60.4	19.4	-172.9	-56.3	167.5	159.3	0	0	112.7	N189 R364 V366 T367 V413	N189-E193 WeakPolarHBondContact O-CA 3.21Å; N189-E193 PolarHBondContact O-N 3.06Å; E193-R364 IonicContact OE1-CZ 3.26Å; E193-R364 IonicContact OE1-NH2 3.5Å; E193-R364 PolarHBondContact OE1-NH2 3.17Å; E193-R364 IonicContact OE2-NH2 2.75Å; E193-R364 PolarHBondContact OE2-NH2 3.36Å; E193-V366 HydrophobicContact CB-CG1 3.95Å; E193-V366 HydrophobicContact CG-CG1 4.37Å; E193-V366 WeakPolarHBondContact OE2-CA 3.48Å; E193-T367 HydrophobicContact CB-CG2 4.09Å; E193-T367 WeakPolarHBondContact O-CG2 3.46Å; E193-T367 PolarHBondContact OE2-N 3.09Å; E193-V413 HydrophobicContact CG-CG2 4.46Å
194	L	97.2	Very high	97	Very high	68 Å²	68	57.3 Å²	57.3	36%	0.356	29%	0.286	S	S	.	.	S	Bend	trans	-98.6	156.5	175.1	-59.2	179.7	0	0	0	111	L188 N189 T192 D196 Y219 R221 T367	L188-L194 CarbonylContact C-O 3.49Å; L188-L194 WeakPolarHBondContact CA-O 3.43Å; L188-L194 WeakPolarHBondContact CB-O 3.48Å; N189-L194 PolarHBondContact N-O 3.34Å; T192-L194 PolarHBondContact O-N 3.03Å; T192-L194 PolarHBondContact OG1-N 3.05Å; L194-D196 PolarHBondContact O-N 3.48Å; L194-Y219 WeakPolarHBondContact CA-OH 3.06Å; L194-R221 HydrophobicContact CD2-CG 3.88Å; L194-T367 HydrophobicContact CD2-CG2 3.95Å
195	I	98.1	Very high	96.9	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.041	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-57	128.1	173.6	-71.1	163.6	0	0	0	109.7	L155 Y186 L188 Y197 L200 Y219 L223	L155-I195 HydrophobicContact CD1-CG1 4.3Å; Y186-I195 HydrophobicContact CD2-CG2 4.26Å; Y186-I195 HydrophobicContact CE2-CD1 4.35Å; Y186-I195 HydrophobicContact CE2-CG1 4.48Å; Y186-I195 HydrophobicContact CE2-CG2 4.26Å; L188-I195 HydrophobicContact CD2-CB 4.35Å; L188-I195 HydrophobicContact CD2-CG1 3.63Å; I195-Y197 HydrophobicContact CB-CD2 4.34Å; I195-Y197 HydrophobicContact CB-CE2 3.89Å; I195-Y197 HydrophobicContact CG2-CD1 4.01Å; I195-Y197 HydrophobicContact CG2-CD2 4.07Å; I195-Y197 HydrophobicContact CG2-CE1 3.9Å; I195-Y197 HydrophobicContact CG2-CE2 3.95Å; I195-Y197 HydrophobicContact CG2-CG 4.1Å; I195-Y197 VanDerWaalsContact O-CD2 3.24Å; I195-Y197 WeakPolarHBondContact O-CD2 3.24Å; I195-Y197 PolarHBondContact O-N 3.37Å; I195-Y197 VanDerWaalsContact O-N 3.16Å; I195-L200 HydrophobicContact CG2-CD1 4.47Å; I195-Y219 HydrophobicContact CD1-CD1 4.17Å; I195-Y219 HydrophobicContact CD1-CE1 3.78Å; I195-Y219 HydrophobicContact CG1-CE1 4.18Å; I195-Y219 HydrophobicContact CG1-CE2 4.17Å; I195-Y219 PolarHBondContact N-OH 3.36Å; I195-Y219 VanDerWaalsContact N-OH 3.16Å; I195-L223 HydrophobicContact CD1-CD2 3.36Å
196	D	98.1	Very high	96.9	Very high	48 Å²	48	60.7 Å²	60.7	26%	0.257	30%	0.302	S	S	.	.			trans	-85	86.6	176	-165.1	-32.8	0	0	0	109.6	R187 N189 L194 D198 A199 L200	R187-D196 PolarHBondContact O-N 3.38Å; R187-D196 VanDerWaalsContact O-N 3.17Å; N189-D196 HydrophobicContact CB-CB 4.14Å; L194-D196 PolarHBondContact O-N 3.48Å; D196-D198 PolarHBondContact O-N 2.9Å; D196-D198 PolarHBondContact OD1-N 3.28Å; D196-A199 HydrophobicContact CB-CB 3.96Å; D196-A199 VanDerWaalsContact CG-CB 3.48Å; D196-A199 PolarHBondContact O-N 3.44Å; D196-A199 WeakPolarHBondContact OD1-CB 3.46Å; D196-A199 PolarHBondContact OD1-N 2.94Å; D196-L200 WeakPolarHBondContact O-CB 3.47Å; D196-L200 PolarHBondContact O-N 2.94Å
197	Y	98.4	Very high	96.8	Very high	37 Å²	37	62 Å²	62	15%	0.145	31%	0.31	C	S	.	.	H	α-helix	trans	-66.2	-26.1	-176.9	-68.3	-83.3	0	0	0	113.3	I195 Q201 D224 R227 F228	I195-Y197 HydrophobicContact CB-CD2 4.34Å; I195-Y197 HydrophobicContact CB-CE2 3.89Å; I195-Y197 HydrophobicContact CG2-CD1 4.01Å; I195-Y197 HydrophobicContact CG2-CD2 4.07Å; I195-Y197 HydrophobicContact CG2-CE1 3.9Å; I195-Y197 HydrophobicContact CG2-CE2 3.95Å; I195-Y197 HydrophobicContact CG2-CG 4.1Å; I195-Y197 VanDerWaalsContact O-CD2 3.24Å; I195-Y197 WeakPolarHBondContact O-CD2 3.24Å; I195-Y197 PolarHBondContact O-N 3.37Å; I195-Y197 VanDerWaalsContact O-N 3.16Å; Y197-Q201 PolarHBondContact O-N 2.85Å; Y197-D224 HydrophobicContact CE1-CB 4.13Å; Y197-D224 HydrophobicContact CE2-CB 4.26Å; Y197-D224 PolarHBondContact OH-N 2.74Å; Y197-R227 HydrophobicContact CD1-CB 3.99Å; Y197-R227 HydrophobicContact CD1-CG 3.53Å; Y197-R227 HydrophobicContact CE1-CB 4.32Å; Y197-R227 HydrophobicContact CE1-CG 4.34Å; Y197-R227 HydrophobicContact CG-CB 4.44Å; Y197-R227 HydrophobicContact CG-CG 3.69Å; Y197-F228 AromaticContact CE1-CD2 3.89Å; Y197-F228 HydrophobicContact CE1-CD2 3.89Å; Y197-F228 AromaticContact CE1-CE2 3.56Å; Y197-F228 HydrophobicContact CE1-CE2 3.56Å; Y197-F228 HydrophobicContact CE1-CZ 4.03Å
198	D	98.2	Very high	96.7	Very high	110 Å²	110	62 Å²	62	59%	0.588	31%	0.314	S	S	*	.	H	α-helix	trans	-76.9	-43.6	179.4	-66.8	-23.8	0	0	0	110.4	D196 L200 Q201 Q202 R227	D196-D198 PolarHBondContact O-N 2.9Å; D196-D198 PolarHBondContact OD1-N 3.28Å; D198-L200 VanDerWaalsContact C-N 3.32Å; D198-L200 PolarHBondContact O-N 3.16Å; D198-Q201 PolarHBondContact O-N 3.01Å; D198-Q202 PolarHBondContact O-N 3.47Å; D198-R227 IonicContact OD1-CZ 3.98Å; D198-R227 IonicContact OD1-NH2 3.91Å; D198-R227 PolarHBondContact OD1-NH2 2.94Å
199	A	98.1	Very high	96.8	Very high	39 Å²	39	61.3 Å²	61.3	32%	0.322	31%	0.31	S	S	.	.	H	α-helix	trans	-60.6	-42.5	169.4	0	0	0	0	0	111.5	D196 Q201 Q202 D203	D196-A199 HydrophobicContact CB-CB 3.96Å; D196-A199 VanDerWaalsContact CG-CB 3.48Å; D196-A199 PolarHBondContact O-N 3.44Å; D196-A199 WeakPolarHBondContact OD1-CB 3.46Å; D196-A199 PolarHBondContact OD1-N 2.94Å; A199-Q201 VanDerWaalsContact C-N 3.33Å; A199-Q201 PolarHBondContact O-N 2.68Å; A199-Q202 PolarHBondContact O-N 3.34Å; A199-D203 WeakPolarHBondContact O-CB 3.41Å; A199-D203 PolarHBondContact O-N 3.41Å
200	L	98.5	Very high	96.9	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-56	-47.1	174.9	-169.5	160.3	0	0	0	111.3	Y186 I195 D196 D198 D203 A204 I212 F228 I231	Y186-L200 HydrophobicContact CD1-CD1 3.54Å; Y186-L200 HydrophobicContact CD1-CG 4.08Å; Y186-L200 HydrophobicContact CD2-CD1 3.55Å; Y186-L200 HydrophobicContact CD2-CG 4.48Å; Y186-L200 HydrophobicContact CE1-CD1 3.9Å; Y186-L200 HydrophobicContact CE2-CD1 3.92Å; Y186-L200 HydrophobicContact CG-CD1 3.34Å; Y186-L200 HydrophobicContact CG-CG 3.89Å; I195-L200 HydrophobicContact CG2-CD1 4.47Å; D196-L200 WeakPolarHBondContact O-CB 3.47Å; D196-L200 PolarHBondContact O-N 2.94Å; D198-L200 VanDerWaalsContact C-N 3.32Å; D198-L200 PolarHBondContact O-N 3.16Å; L200-D203 PolarHBondContact O-N 2.89Å; L200-A204 VanDerWaalsContact O-CB 3.24Å; L200-A204 WeakPolarHBondContact O-CB 3.49Å; L200-A204 PolarHBondContact O-N 3.01Å; L200-I212 HydrophobicContact CD2-CD1 4.46Å; L200-F228 HydrophobicContact CD1-CD1 4.34Å; L200-F228 HydrophobicContact CD1-CE1 3.59Å; L200-F228 HydrophobicContact CD1-CZ 4.17Å; L200-I231 HydrophobicContact CD2-CB 4.43Å; L200-I231 HydrophobicContact CD2-CD1 3.55Å; L200-I231 HydrophobicContact CD2-CG2 3.84Å
201	Q	98.2	Very high	97.2	Very high	61 Å²	61	55.1 Å²	55.1	29%	0.285	28%	0.281	S	S	.	.	H	α-helix	trans	-61.2	-46.4	177.5	-177.4	176.7	-1.6	0	0	111.5	Y197 D198 A199 A204 L205 I231	Y197-Q201 PolarHBondContact O-N 2.85Å; D198-Q201 PolarHBondContact O-N 3.01Å; A199-Q201 VanDerWaalsContact C-N 3.33Å; A199-Q201 PolarHBondContact O-N 2.68Å; Q201-A204 PolarHBondContact O-N 2.95Å; Q201-L205 HydrophobicContact CG-CD1 4.27Å; Q201-L205 WeakPolarHBondContact O-CG 3.44Å; Q201-L205 PolarHBondContact O-N 2.99Å; Q201-I231 HydrophobicContact CB-CD1 3.84Å; Q201-I231 HydrophobicContact CB-CG1 3.87Å; Q201-I231 HydrophobicContact CG-CG1 4.09Å
202	Q	98.1	Very high	97.5	Very high	102 Å²	102	48 Å²	48	48%	0.477	25%	0.248	S	C	.	.	H	α-helix	trans	-63.5	-43	-178.6	-174.5	57.3	56.4	0	0	111.8	D198 A199 L205 N206	D198-Q202 PolarHBondContact O-N 3.47Å; A199-Q202 PolarHBondContact O-N 3.34Å; Q202-L205 PolarHBondContact O-N 2.51Å; Q202-N206 PolarHBondContact NE2-OD1 3.18Å; Q202-N206 VanDerWaalsContact O-CG 3.27Å; Q202-N206 PolarHBondContact O-N 2.92Å; Q202-N206 VanDerWaalsContact O-N 3.16Å; Q202-N206 PolarHBondContact O-ND2 2.97Å
203	D	97.9	Very high	97.7	Very high	64 Å²	64	44.4 Å²	44.4	34%	0.342	23%	0.226	S	C	.	.	H	α-helix	trans	-64.2	-43	176.3	-74.6	-18.5	0	0	0	111.2	M153 A199 L200 L205 N206 V207	M153-D203 HydrophobicContact CE-CB 3.82Å; A199-D203 WeakPolarHBondContact O-CB 3.41Å; A199-D203 PolarHBondContact O-N 3.41Å; L200-D203 PolarHBondContact O-N 2.89Å; D203-L205 VanDerWaalsContact C-N 3.29Å; D203-L205 PolarHBondContact O-N 2.91Å; D203-N206 PolarHBondContact O-N 2.94Å; D203-V207 VanDerWaalsContact O-CG2 3.31Å; D203-V207 WeakPolarHBondContact O-CG2 3.37Å; D203-V207 PolarHBondContact O-N 2.88Å
204	A	97.7	Very high	97.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.7	-38.6	177.1	0	0	0	0	0	112.3	M153 L200 Q201 N206 F208 P209 I212 I231 I235	M153-A204 HydrophobicContact SD-CB 4.07Å; L200-A204 VanDerWaalsContact O-CB 3.24Å; L200-A204 WeakPolarHBondContact O-CB 3.49Å; L200-A204 PolarHBondContact O-N 3.01Å; Q201-A204 PolarHBondContact O-N 2.95Å; A204-N206 VanDerWaalsContact C-N 3.32Å; A204-F208 WeakPolarHBondContact O-CA 3.47Å; A204-F208 PolarHBondContact O-N 3.27Å; A204-P209 HydrophobicContact CB-CG 4.44Å; A204-P209 WeakPolarHBondContact O-CD 3.38Å; A204-I212 HydrophobicContact CB-CD1 4.19Å; A204-I231 HydrophobicContact CB-CG2 3.8Å; A204-I235 HydrophobicContact CB-CD1 3.99Å
205	L	96.4	Very high	97.8	Very high	63 Å²	63	40.9 Å²	40.9	33%	0.33	21%	0.208	S	C	.	.	H	α-helix	trans	-68.4	-28.2	173.7	-72.9	168.6	0	0	0	113.3	Q201 Q202 D203 F208 I235	Q201-L205 HydrophobicContact CG-CD1 4.27Å; Q201-L205 WeakPolarHBondContact O-CG 3.44Å; Q201-L205 PolarHBondContact O-N 2.99Å; Q202-L205 PolarHBondContact O-N 2.51Å; D203-L205 VanDerWaalsContact C-N 3.29Å; D203-L205 PolarHBondContact O-N 2.91Å; L205-F208 WeakPolarHBondContact O-CE2 3.48Å; L205-F208 WeakPolarHBondContact O-CZ 3.43Å; L205-I235 HydrophobicContact CD2-CG2 3.81Å; L205-I235 HydrophobicContact CG-CG2 4.43Å
206	N	97.1	Very high	97.7	Very high	98 Å²	98	40.9 Å²	40.9	52%	0.524	21%	0.208	S	C	.	.	H	α-helix	trans	-82.6	-34	179.7	-69.8	-27.3	0	0	0	112.3	Q202 D203 A204	Q202-N206 PolarHBondContact NE2-OD1 3.18Å; Q202-N206 VanDerWaalsContact O-CG 3.27Å; Q202-N206 PolarHBondContact O-N 2.92Å; Q202-N206 VanDerWaalsContact O-N 3.16Å; Q202-N206 PolarHBondContact O-ND2 2.97Å; D203-N206 PolarHBondContact O-N 2.94Å; A204-N206 VanDerWaalsContact C-N 3.32Å
207	V	96.6	Very high	97.6	Very high	30 Å²	30	39.8 Å²	39.8	18%	0.182	20%	0.203	C	C	.	.	H	α-helix	trans	-111.9	-10.8	-170.3	-48.8	0	0	0	0	114.2	R151 M153 I184 D203	R151-V207 WeakPolarHBondContact CD-O 3.22Å; R151-V207 PolarHBondContact NH1-O 3.16Å; M153-V207 HydrophobicContact SD-CG2 3.95Å; I184-V207 HydrophobicContact CD1-CB 3.6Å; I184-V207 HydrophobicContact CD1-CG1 3.98Å; I184-V207 HydrophobicContact CD1-CG2 3.51Å; I184-V207 HydrophobicContact CG2-CG2 4.47Å; D203-V207 VanDerWaalsContact O-CG2 3.31Å; D203-V207 WeakPolarHBondContact O-CG2 3.37Å; D203-V207 PolarHBondContact O-N 2.88Å
208	F	95.6	Very high	97.5	Very high	127 Å²	127	38.2 Å²	38.2	56%	0.557	20%	0.198	S	C	*	.			trans	46.5	59.9	176.7	-57.3	-79.3	0	0	0	113.3	A204 L205 I235	A204-F208 WeakPolarHBondContact O-CA 3.47Å; A204-F208 PolarHBondContact O-N 3.27Å; L205-F208 WeakPolarHBondContact O-CE2 3.48Å; L205-F208 WeakPolarHBondContact O-CZ 3.43Å; F208-I235 HydrophobicContact CD1-CG2 4.42Å
209	P	97.5	Very high	97.5	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.019	17%	0.171	C	C	.	.			trans	-62.1	144.6	175.1	32.7	-38.9	0	0	0	110.4	R151 M153 A204 L211 I212 I235 A237	R151-P209 HydrophobicContact CB-CB 4.46Å; M153-P209 HydrophobicContact CB-CB 4.47Å; M153-P209 HydrophobicContact CG-CB 3.88Å; M153-P209 HydrophobicContact CG-CG 3.91Å; M153-P209 HydrophobicContact SD-CB 4.26Å; M153-P209 HydrophobicContact SD-CG 3.65Å; A204-P209 HydrophobicContact CB-CG 4.44Å; A204-P209 WeakPolarHBondContact O-CD 3.38Å; P209-L211 VanDerWaalsContact C-N 3.32Å; P209-I212 HydrophobicContact CB-CG1 4.47Å; P209-I212 HydrophobicContact CG-CD1 4.09Å; P209-I212 HydrophobicContact CG-CG1 3.81Å; P209-I235 VanDerWaalsContact CD-CD1 3.49Å; P209-I235 HydrophobicContact CG-CD1 3.56Å; P209-A237 WeakPolarHBondContact O-CB 3.39Å
210	K	97.5	Very high	97.4	Very high	66 Å²	66	31.5 Å²	31.5	29%	0.287	16%	0.156	S	C	.	.	S	Bend	trans	-78.9	-21.3	172	-71.7	-168	-176.6	171.1	0	112.5	L146 D150 R151 A237 V238	L146-K210 HydrophobicContact CD2-CB 3.56Å; L146-K210 HydrophobicContact CD2-CD 4.31Å; D150-K210 HydrophobicContact CB-CD 4.08Å; D150-K210 WeakPolarHBondContact OD1-CE 3.36Å; D150-K210 IonicContact OD1-NZ 2.68Å; D150-K210 PolarHBondContact OD1-NZ 3.36Å; D150-K210 WeakPolarHBondContact OD2-CD 3.45Å; D150-K210 WeakPolarHBondContact OD2-CE 3.44Å; D150-K210 IonicContact OD2-NZ 3.81Å; D150-K210 PolarHBondContact OD2-NZ 2.87Å; R151-K210 PolarHBondContact O-N 2.77Å; K210-A237 CarbonylContact O-C 3.33Å; K210-A237 WeakPolarHBondContact O-CA 3.48Å; K210-V238 PolarHBondContact O-N 3.23Å
211	L	98.4	Very high	97.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	133.3	-178.9	-175.1	152.5	0	0	0	110.7	V141 Y142 L145 L146 L152 M153 P209 I213 V238 L240	V141-L211 HydrophobicContact CG1-CD1 4.22Å; Y142-L211 HydrophobicContact CD1-CD1 4.33Å; Y142-L211 HydrophobicContact CE1-CD2 4.24Å; L145-L211 HydrophobicContact CD1-CD1 4.28Å; L146-L211 HydrophobicContact CD1-CB 4.26Å; L146-L211 HydrophobicContact CD2-CB 4.17Å; L152-L211 CarbonylContact C-O 3.59Å; L152-L211 WeakPolarHBondContact CA-O 3.41Å; L152-L211 HydrophobicContact CB-CB 4.37Å; L152-L211 HydrophobicContact CB-CD2 4.4Å; M153-L211 PolarHBondContact N-O 3.09Å; P209-L211 VanDerWaalsContact C-N 3.32Å; L211-I213 HydrophobicContact CD2-CD1 4.2Å; L211-I213 HydrophobicContact CD2-CG1 3.41Å; L211-I213 VanDerWaalsContact CD2-CG1 3.41Å; L211-V238 CarbonylContact C-O 3.47Å; L211-V238 VanDerWaalsContact CA-O 3.3Å; L211-V238 WeakPolarHBondContact CA-O 3.38Å; L211-V238 HydrophobicContact CB-CB 4.46Å; L211-V238 HydrophobicContact CD1-CB 4.4Å; L211-V238 HydrophobicContact CD1-CG1 4.21Å; L211-V238 HydrophobicContact CG-CB 4.32Å; L211-V238 HydrophobicContact CG-CG1 4.42Å; L211-L240 HydrophobicContact CD1-CB 4.3Å; L211-L240 HydrophobicContact CD2-CB 3.94Å; L211-L240 HydrophobicContact CD2-CD2 4.35Å; L211-L240 HydrophobicContact CG-CB 4.26Å
212	I	98.7	Very high	97.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.6	171.8	-60.5	177.9	0	0	0	108.4	M153 L200 A204 P209 F228 I231 I235 A237 V238 L240	M153-I212 HydrophobicContact CB-CG1 4.33Å; L200-I212 HydrophobicContact CD2-CD1 4.46Å; A204-I212 HydrophobicContact CB-CD1 4.19Å; P209-I212 HydrophobicContact CB-CG1 4.47Å; P209-I212 HydrophobicContact CG-CD1 4.09Å; P209-I212 HydrophobicContact CG-CG1 3.81Å; I212-F228 HydrophobicContact CG2-CD1 3.87Å; I212-F228 HydrophobicContact CG2-CE1 4.06Å; I212-I231 HydrophobicContact CD1-CG2 3.86Å; I212-I235 HydrophobicContact CD1-CD1 4.05Å; I212-A237 HydrophobicContact CD1-CB 4.46Å; I212-A237 HydrophobicContact CG1-CB 4.29Å; I212-V238 PolarHBondContact N-O 3.34Å; I212-L240 PolarHBondContact O-N 2.91Å
213	I	98.9	Very high	97.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	119	-178.4	-51.6	168.4	0	0	0	109.5	Y142 L152 M153 H165 Y186 L211 L240 D242	Y142-I213 HydrophobicContact CE1-CD1 3.94Å; Y142-I213 HydrophobicContact CE1-CG1 4.48Å; Y142-I213 VanDerWaalsContact OH-CD1 3.23Å; Y142-I213 WeakPolarHBondContact OH-CD1 3.39Å; L152-I213 HydrophobicContact CD1-CD1 4.09Å; M153-I213 WeakPolarHBondContact O-CG1 3.37Å; M153-I213 PolarHBondContact O-N 3.23Å; H165-I213 HydrophobicContact CB-CD1 3.79Å; Y186-I213 WeakPolarHBondContact CE1-O 3.21Å; Y186-I213 PolarHBondContact OH-O 3.37Å; L211-I213 HydrophobicContact CD2-CD1 4.2Å; L211-I213 HydrophobicContact CD2-CG1 3.41Å; L211-I213 VanDerWaalsContact CD2-CG1 3.41Å; I213-L240 CarbonylContact C-O 3.42Å; I213-L240 VanDerWaalsContact CA-O 3.27Å; I213-L240 WeakPolarHBondContact CA-O 3.46Å; I213-L240 HydrophobicContact CG1-CD2 4.26Å; I213-D242 HydrophobicContact CG2-CB 4.36Å
214	A	98.8	Very high	97.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	90.5	168.2	0	0	0	0	0	109.3	L223 Y225 F228 L239 L240 A241 D242	A214-L223 HydrophobicContact CB-CD1 4.06Å; A214-Y225 HydrophobicContact CB-CD1 4.07Å; A214-Y225 HydrophobicContact CB-CE1 3.99Å; A214-F228 HydrophobicContact CB-CB 4.49Å; A214-F228 HydrophobicContact CB-CD1 4.05Å; A214-F228 HydrophobicContact CB-CD2 3.66Å; A214-F228 HydrophobicContact CB-CE1 4.13Å; A214-F228 HydrophobicContact CB-CE2 3.77Å; A214-F228 HydrophobicContact CB-CG 3.82Å; A214-F228 HydrophobicContact CB-CZ 4.01Å; A214-L239 HydrophobicContact CB-CD1 3.91Å; A214-L240 PolarHBondContact N-O 3.09Å; A214-A241 CarbonylContact O-C 3.56Å; A214-A241 VanDerWaalsContact O-CA 3.3Å; A214-A241 WeakPolarHBondContact O-CA 3.35Å; A214-D242 PolarHBondContact O-N 3.17Å
215	G	97.7	Very high	97.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	146.4	-175.2	0	0	0	0	0	113.1	D242	G215-D242 WeakPolarHBondContact CA-O 3.46Å
216	I	96.3	Very high	97.5	Very high	8 Å²	8	32.9 Å²	32.9	4%	0.041	16%	0.159	C	C	.	.			trans	-132.8	145.8	-172	56.2	161.3	0	0	0	112.6	L155 Y219 L223	L155-I216 HydrophobicContact CD2-CG2 4.27Å; I216-Y219 VanDerWaalsContact CD1-O 3.27Å; I216-Y219 WeakPolarHBondContact CD1-O 3.38Å; I216-Y219 HydrophobicContact CG2-CD1 3.81Å; I216-Y219 HydrophobicContact CG2-CG 4.13Å; I216-L223 HydrophobicContact CG2-CD1 4.12Å; I216-L223 HydrophobicContact CG2-CD2 3.7Å; I216-L223 HydrophobicContact CG2-CG 4.13Å
217	T	95.5	Very high	97.6	Very high	25 Å²	25	30.1 Å²	30.1	15%	0.153	14%	0.141	C	C	.	.	S	Bend	trans	-120.9	-41.7	171	-64.8	0	0	0	0	111.2	G160 G161 H162 R425	G160-T217 WeakPolarHBondContact O-CA 3.35Å; G160-T217 PolarHBondContact O-N 3.17Å; G161-T217 WeakPolarHBondContact O-CB 3.43Å; H162-T217 WeakPolarHBondContact CB-OG1 3.44Å; H162-T217 PolarHBondContact CD2-OG1 3.16Å; T217-R425 WeakPolarHBondContact O-CD 3.41Å; T217-R425 PolarHBondContact O-NH1 2.87Å
218	A	96	Very high	97.6	Very high	4 Å²	4	28.7 Å²	28.7	3%	0.033	13%	0.132	C	C	.	.	S	Bend	trans	-136.9	45.5	-179.1	0	0	0	0	0	112.6	G160 L376 N410	G160-A218 PolarHBondContact O-N 2.76Å; A218-L376 WeakPolarHBondContact O-CD2 3.48Å; A218-N410 WeakPolarHBondContact CB-ND2 3.44Å
219	Y	97.3	Very high	97.6	Very high	8 Å²	8	23.3 Å²	23.3	3%	0.031	11%	0.108	C	C	.	.			trans	-118.6	106.9	172.5	-179.7	-112.6	0	0	0	109.4	L188 L194 I195 I216 R221 L223 F374	L188-Y219 HydrophobicContact CD2-CD2 3.88Å; L188-Y219 HydrophobicContact CD2-CE2 3.74Å; L194-Y219 WeakPolarHBondContact CA-OH 3.06Å; I195-Y219 HydrophobicContact CD1-CD1 4.17Å; I195-Y219 HydrophobicContact CD1-CE1 3.78Å; I195-Y219 HydrophobicContact CG1-CE1 4.18Å; I195-Y219 HydrophobicContact CG1-CE2 4.17Å; I195-Y219 PolarHBondContact N-OH 3.36Å; I195-Y219 VanDerWaalsContact N-OH 3.16Å; I216-Y219 VanDerWaalsContact CD1-O 3.27Å; I216-Y219 WeakPolarHBondContact CD1-O 3.38Å; I216-Y219 HydrophobicContact CG2-CD1 3.81Å; I216-Y219 HydrophobicContact CG2-CG 4.13Å; Y219-R221 HydrophobicContact CD1-CB 4.06Å; Y219-R221 WeakPolarHBondContact CD1-O 3.4Å; Y219-R221 HydrophobicContact CE1-CB 3.53Å; Y219-R221 HydrophobicContact CE1-CG 4.5Å; Y219-R221 HydrophobicContact CE2-CB 4.39Å; Y219-R221 PolarHBondContact O-N 2.95Å; Y219-L223 HydrophobicContact CD1-CD2 4.09Å; Y219-L223 HydrophobicContact CE1-CD2 4.03Å; Y219-F374 VanDerWaalsContact O-CZ 3.25Å; Y219-F374 WeakPolarHBondContact O-CZ 3.45Å
220	P	97.7	Very high	97.5	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	13%	0.129	C	C	.	.			trans	-79	27.4	-168.4	33.5	-37	0	0	0	113.9	T367 T370 D371 F374 L376	P220-T367 HydrophobicContact CG-CG2 4.22Å; P220-T370 VanDerWaalsContact O-CA 3.26Å; P220-T370 WeakPolarHBondContact O-CA 3.4Å; P220-T370 PolarHBondContact O-OG1 2.8Å; P220-D371 PolarHBondContact O-N 2.81Å; P220-F374 HydrophobicContact CB-CD2 4.4Å; P220-F374 HydrophobicContact CB-CE2 4.05Å; P220-L376 HydrophobicContact CG-CB 4.43Å
221	R	98.3	Very high	97.5	Very high	48 Å²	48	24.6 Å²	24.6	18%	0.181	12%	0.115	C	C	.	.	S	Bend	trans	-131.1	155	-177.4	-59.8	-66.1	179.2	179.2	1.5	110.7	L194 Y219 T367 D371	L194-R221 HydrophobicContact CD2-CG 3.88Å; Y219-R221 HydrophobicContact CD1-CB 4.06Å; Y219-R221 WeakPolarHBondContact CD1-O 3.4Å; Y219-R221 HydrophobicContact CE1-CB 3.53Å; Y219-R221 HydrophobicContact CE1-CG 4.5Å; Y219-R221 HydrophobicContact CE2-CB 4.39Å; Y219-R221 PolarHBondContact O-N 2.95Å; R221-T367 HydrophobicContact CG-CG2 3.99Å; R221-T367 PolarHBondContact NE-OG1 3.01Å; R221-T367 PolarHBondContact NH2-O 2.89Å; R221-D371 WeakPolarHBondContact CD-OD2 3.39Å; R221-D371 IonicContact CZ-OD2 3.94Å; R221-D371 IonicContact NE-OD2 3.36Å; R221-D371 VanDerWaalsContact NH1-CG 3.26Å; R221-D371 IonicContact NH1-OD1 3.81Å; R221-D371 PolarHBondContact NH1-OD1 3.33Å; R221-D371 VanDerWaalsContact NH1-OD1 3.09Å; R221-D371 IonicContact NH1-OD2 2.82Å; R221-D371 PolarHBondContact NH1-OD2 2.99Å
222	L	98.1	Very high	97.4	Very high	55 Å²	55	24.6 Å²	24.6	29%	0.288	12%	0.115	S	C	.	.			trans	-69.7	150.4	173.4	-65	170.2	0	0	0	110.6	V255 P256 D371 V372	L222-V255 HydrophobicContact CD2-CB 3.8Å; L222-V255 HydrophobicContact CD2-CG1 3.85Å; L222-P256 HydrophobicContact CD1-CG 4.27Å; L222-D371 HydrophobicContact CD1-CB 4.11Å; L222-D371 HydrophobicContact CG-CB 3.85Å; L222-V372 HydrophobicContact CD2-CG1 3.89Å; L222-V372 HydrophobicContact CG-CG1 4.45Å
223	L	98.4	Very high	97.1	Very high	13 Å²	13	25.9 Å²	25.9	7%	0.068	12%	0.122	C	C	.	.			trans	-87.5	142.4	177.6	-64.5	-177.5	0	0	0	110.9	I195 A214 I216 Y219 Y225 F228	I195-L223 HydrophobicContact CD1-CD2 3.36Å; A214-L223 HydrophobicContact CB-CD1 4.06Å; I216-L223 HydrophobicContact CG2-CD1 4.12Å; I216-L223 HydrophobicContact CG2-CD2 3.7Å; I216-L223 HydrophobicContact CG2-CG 4.13Å; Y219-L223 HydrophobicContact CD1-CD2 4.09Å; Y219-L223 HydrophobicContact CE1-CD2 4.03Å; L223-Y225 HydrophobicContact CB-CD1 4.3Å; L223-Y225 HydrophobicContact CB-CE1 3.95Å; L223-Y225 HydrophobicContact CB-CE2 4.3Å; L223-Y225 HydrophobicContact CD1-CE1 3.91Å; L223-Y225 PolarHBondContact O-N 3Å; L223-Y225 VanDerWaalsContact O-N 3.15Å; L223-F228 HydrophobicContact CB-CE2 4.29Å; L223-F228 HydrophobicContact CD1-CE2 4.37Å; L223-F228 HydrophobicContact CD2-CE2 4.25Å
224	D	98.3	Very high	96.9	Very high	78 Å²	78	28.1 Å²	28.1	42%	0.417	14%	0.138	S	C	.	.			trans	-84.5	82.7	169.2	-172.1	-17.6	0	0	0	109.5	Y197 K226 R227 F228	Y197-D224 HydrophobicContact CE1-CB 4.13Å; Y197-D224 HydrophobicContact CE2-CB 4.26Å; Y197-D224 PolarHBondContact OH-N 2.74Å; D224-K226 PolarHBondContact O-N 3.16Å; D224-K226 WeakPolarHBondContact OD1-CB 3.18Å; D224-K226 PolarHBondContact OD1-N 3.05Å; D224-R227 HydrophobicContact CB-CB 3.95Å; D224-R227 VanDerWaalsContact CG-CB 3.43Å; D224-R227 PolarHBondContact O-N 3.04Å; D224-R227 PolarHBondContact OD1-N 3.44Å; D224-F228 VanDerWaalsContact O-CD2 3.3Å; D224-F228 WeakPolarHBondContact O-CD2 3.49Å; D224-F228 PolarHBondContact O-N 3.44Å; D224-F228 VanDerWaalsContact O-N 3.11Å
225	Y	98.3	Very high	96.7	Very high	12 Å²	12	29.1 Å²	29.1	5%	0.047	14%	0.143	C	C	.	.	H	α-helix	trans	-61.1	-28.7	179.5	-65.3	-63.4	0	0	0	113.1	A214 L223 F228 R229 A241 I246 P258 Y261	A214-Y225 HydrophobicContact CB-CD1 4.07Å; A214-Y225 HydrophobicContact CB-CE1 3.99Å; L223-Y225 HydrophobicContact CB-CD1 4.3Å; L223-Y225 HydrophobicContact CB-CE1 3.95Å; L223-Y225 HydrophobicContact CB-CE2 4.3Å; L223-Y225 HydrophobicContact CD1-CE1 3.91Å; L223-Y225 PolarHBondContact O-N 3Å; L223-Y225 VanDerWaalsContact O-N 3.15Å; Y225-F228 PolarHBondContact O-N 2.93Å; Y225-R229 WeakPolarHBondContact O-CB 3.46Å; Y225-R229 PolarHBondContact O-N 3.36Å; Y225-A241 HydrophobicContact CE1-CB 4.15Å; Y225-I246 WeakPolarHBondContact OH-CD1 3.32Å; Y225-P258 HydrophobicContact CD1-CB 4.16Å; Y225-P258 HydrophobicContact CD2-CB 4.36Å; Y225-P258 HydrophobicContact CE1-CB 3.79Å; Y225-P258 HydrophobicContact CE2-CB 4Å; Y225-P258 HydrophobicContact CG-CB 4.44Å; Y225-Y261 VanDerWaalsContact CB-CD2 3.49Å
226	K	97.2	Very high	96.5	Very high	114 Å²	114	29.3 Å²	29.3	50%	0.496	15%	0.145	S	C	.	.	H	α-helix	trans	-65.6	-44.9	175.8	-176.9	175.5	-180	174.2	0	110.5	D224 R229 Q230 Y261	D224-K226 PolarHBondContact O-N 3.16Å; D224-K226 WeakPolarHBondContact OD1-CB 3.18Å; D224-K226 PolarHBondContact OD1-N 3.05Å; K226-R229 WeakPolarHBondContact O-CB 3.39Å; K226-R229 PolarHBondContact O-N 3.28Å; K226-Q230 WeakPolarHBondContact O-CG 3.32Å; K226-Q230 PolarHBondContact O-N 2.67Å; K226-Y261 HydrophobicContact CB-CD1 4.2Å; K226-Y261 HydrophobicContact CB-CE1 3.6Å; K226-Y261 HydrophobicContact CB-CE2 4.31Å; K226-Y261 HydrophobicContact CD-CE1 4.45Å; K226-Y261 HydrophobicContact CG-CE1 3.77Å
227	R	97.9	Very high	96.5	Very high	40 Å²	40	28.9 Å²	28.9	15%	0.151	14%	0.143	C	C	.	.	H	α-helix	trans	-63.6	-42.7	176.2	-172	61.6	173.2	123.8	0.2	111.9	Y197 D198 D224 R229 Q230 I231	Y197-R227 HydrophobicContact CD1-CB 3.99Å; Y197-R227 HydrophobicContact CD1-CG 3.53Å; Y197-R227 HydrophobicContact CE1-CB 4.32Å; Y197-R227 HydrophobicContact CE1-CG 4.34Å; Y197-R227 HydrophobicContact CG-CB 4.44Å; Y197-R227 HydrophobicContact CG-CG 3.69Å; D198-R227 IonicContact OD1-CZ 3.98Å; D198-R227 IonicContact OD1-NH2 3.91Å; D198-R227 PolarHBondContact OD1-NH2 2.94Å; D224-R227 HydrophobicContact CB-CB 3.95Å; D224-R227 VanDerWaalsContact CG-CB 3.43Å; D224-R227 PolarHBondContact O-N 3.04Å; D224-R227 PolarHBondContact OD1-N 3.44Å; R227-R229 VanDerWaalsContact C-N 3.34Å; R227-R229 PolarHBondContact O-N 3.42Å; R227-Q230 PolarHBondContact O-N 3.44Å; R227-I231 HydrophobicContact CG-CD1 4.28Å; R227-I231 VanDerWaalsContact O-CG1 3.32Å; R227-I231 WeakPolarHBondContact O-CG1 3.42Å; R227-I231 PolarHBondContact O-N 3.28Å; R227-I231 VanDerWaalsContact O-N 3.13Å
228	F	98.2	Very high	96.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-57.4	-45.2	172.3	-83.8	-72.6	0	0	0	112.5	Y186 Y197 L200 I212 A214 L223 D224 Y225 I231 C232 L239	Y186-F228 HydrophobicContact CE1-CE1 4.11Å; Y186-F228 HydrophobicContact CE2-CE1 4.46Å; Y186-F228 HydrophobicContact CE2-CZ 4.19Å; Y186-F228 AromaticContact CZ-CE1 3.86Å; Y186-F228 AromaticContact CZ-CZ 3.85Å; Y186-F228 WeakPolarHBondContact OH-CZ 3.43Å; Y197-F228 AromaticContact CE1-CD2 3.89Å; Y197-F228 HydrophobicContact CE1-CD2 3.89Å; Y197-F228 AromaticContact CE1-CE2 3.56Å; Y197-F228 HydrophobicContact CE1-CE2 3.56Å; Y197-F228 HydrophobicContact CE1-CZ 4.03Å; L200-F228 HydrophobicContact CD1-CD1 4.34Å; L200-F228 HydrophobicContact CD1-CE1 3.59Å; L200-F228 HydrophobicContact CD1-CZ 4.17Å; I212-F228 HydrophobicContact CG2-CD1 3.87Å; I212-F228 HydrophobicContact CG2-CE1 4.06Å; A214-F228 HydrophobicContact CB-CB 4.49Å; A214-F228 HydrophobicContact CB-CD1 4.05Å; A214-F228 HydrophobicContact CB-CD2 3.66Å; A214-F228 HydrophobicContact CB-CE1 4.13Å; A214-F228 HydrophobicContact CB-CE2 3.77Å; A214-F228 HydrophobicContact CB-CG 3.82Å; A214-F228 HydrophobicContact CB-CZ 4.01Å; L223-F228 HydrophobicContact CB-CE2 4.29Å; L223-F228 HydrophobicContact CD1-CE2 4.37Å; L223-F228 HydrophobicContact CD2-CE2 4.25Å; D224-F228 VanDerWaalsContact O-CD2 3.3Å; D224-F228 WeakPolarHBondContact O-CD2 3.49Å; D224-F228 PolarHBondContact O-N 3.44Å; D224-F228 VanDerWaalsContact O-N 3.11Å; Y225-F228 PolarHBondContact O-N 2.93Å; F228-I231 PolarHBondContact O-N 2.93Å; F228-C232 PolarHBondContact O-N 3.45Å; F228-C232 PolarHBondContact O-SG 3.22Å; F228-L239 HydrophobicContact CB-CD1 3.84Å; F228-L239 HydrophobicContact CB-CD2 4.01Å; F228-L239 HydrophobicContact CD1-CD1 4.42Å; F228-L239 HydrophobicContact CG-CD1 4.34Å
229	R	95.9	Very high	96.7	Very high	15 Å²	15	27.6 Å²	27.6	6%	0.057	13%	0.134	C	C	.	.	H	α-helix	trans	-60.5	-47.9	178.9	-175.7	63.9	-91.7	161.9	-3.1	112.1	Y225 K226 R227 I231 C232 D233 A237 L239 Y261 D263	Y225-R229 WeakPolarHBondContact O-CB 3.46Å; Y225-R229 PolarHBondContact O-N 3.36Å; K226-R229 WeakPolarHBondContact O-CB 3.39Å; K226-R229 PolarHBondContact O-N 3.28Å; R227-R229 VanDerWaalsContact C-N 3.34Å; R227-R229 PolarHBondContact O-N 3.42Å; R229-I231 VanDerWaalsContact C-N 3.27Å; R229-I231 PolarHBondContact O-N 3.11Å; R229-C232 PolarHBondContact O-N 3.01Å; R229-D233 IonicContact CZ-OD1 2.67Å; R229-D233 VanDerWaalsContact NE-CG 3.3Å; R229-D233 IonicContact NE-OD1 2.76Å; R229-D233 PolarHBondContact NE-OD1 3.23Å; R229-D233 IonicContact NE-OD2 3.09Å; R229-D233 PolarHBondContact NE-OD2 3.41Å; R229-D233 IonicContact NH2-OD1 3.5Å; R229-D233 PolarHBondContact NH2-OD1 2.67Å; R229-D233 WeakPolarHBondContact O-CB 3.43Å; R229-D233 VanDerWaalsContact O-CG 3.25Å; R229-D233 PolarHBondContact O-N 3.25Å; R229-A237 PolarHBondContact NH2-O 3.49Å; R229-L239 HydrophobicContact CB-CD2 4.24Å; R229-Y261 HydrophobicContact CB-CD1 3.92Å; R229-Y261 HydrophobicContact CB-CG 4.42Å; R229-Y261 WeakPolarHBondContact CD-O 3.37Å; R229-Y261 HydrophobicContact CG-CD1 4.2Å; R229-D263 IonicContact CZ-OD2 2.82Å; R229-D263 VanDerWaalsContact NH1-CG 3.3Å; R229-D263 IonicContact NH1-OD1 2.78Å; R229-D263 PolarHBondContact NH1-OD1 3.25Å; R229-D263 IonicContact NH1-OD2 2.76Å; R229-D263 PolarHBondContact NH1-OD2 3.46Å; R229-D263 IonicContact NH2-OD2 2.71Å
230	Q	95.4	Very high	96.8	Very high	96 Å²	96	27.2 Å²	27.2	45%	0.449	13%	0.133	S	C	.	.	H	α-helix	trans	-56.2	-42.9	177.4	-72.1	171.4	-15.2	0	0	111.8	K226 R227 D233 S234	K226-Q230 WeakPolarHBondContact O-CG 3.32Å; K226-Q230 PolarHBondContact O-N 2.67Å; R227-Q230 PolarHBondContact O-N 3.44Å; Q230-D233 PolarHBondContact O-N 2.94Å; Q230-S234 PolarHBondContact O-N 3.17Å; Q230-S234 VanDerWaalsContact O-N 3.1Å
231	I	96.5	Very high	96.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65.7	-48.1	178	-64.2	168.6	0	0	0	110	L200 Q201 A204 I212 R227 F228 R229 D233 S234 I235	L200-I231 HydrophobicContact CD2-CB 4.43Å; L200-I231 HydrophobicContact CD2-CD1 3.55Å; L200-I231 HydrophobicContact CD2-CG2 3.84Å; Q201-I231 HydrophobicContact CB-CD1 3.84Å; Q201-I231 HydrophobicContact CB-CG1 3.87Å; Q201-I231 HydrophobicContact CG-CG1 4.09Å; A204-I231 HydrophobicContact CB-CG2 3.8Å; I212-I231 HydrophobicContact CD1-CG2 3.86Å; R227-I231 HydrophobicContact CG-CD1 4.28Å; R227-I231 VanDerWaalsContact O-CG1 3.32Å; R227-I231 WeakPolarHBondContact O-CG1 3.42Å; R227-I231 PolarHBondContact O-N 3.28Å; R227-I231 VanDerWaalsContact O-N 3.13Å; F228-I231 PolarHBondContact O-N 2.93Å; R229-I231 VanDerWaalsContact C-N 3.27Å; R229-I231 PolarHBondContact O-N 3.11Å; I231-D233 VanDerWaalsContact C-N 3.32Å; I231-D233 PolarHBondContact O-N 3.12Å; I231-S234 WeakPolarHBondContact O-CB 3.47Å; I231-S234 PolarHBondContact O-N 2.71Å; I231-S234 VanDerWaalsContact O-N 3.11Å; I231-S234 PolarHBondContact O-OG 2.95Å; I231-I235 WeakPolarHBondContact O-CG1 3.32Å; I231-I235 PolarHBondContact O-N 2.97Å
232	C	95.9	Very high	96.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.8	-41	178.4	-65.1	0	0	0	0	112.4	F228 R229 S234 I235 G236 A237 L239	F228-C232 PolarHBondContact O-N 3.45Å; F228-C232 PolarHBondContact O-SG 3.22Å; R229-C232 PolarHBondContact O-N 3.01Å; C232-S234 VanDerWaalsContact C-N 3.29Å; C232-S234 PolarHBondContact O-N 2.84Å; C232-I235 PolarHBondContact O-N 3.45Å; C232-G236 WeakPolarHBondContact O-CA 3.42Å; C232-G236 PolarHBondContact O-N 2.95Å; C232-A237 HydrophobicContact CB-CB 4.24Å; C232-A237 WeakPolarHBondContact CB-O 3.28Å; C232-A237 PolarHBondContact O-N 3.14Å; C232-L239 HydrophobicContact CB-CB 4.43Å
233	D	93.8	Very high	96.9	Very high	27 Å²	27	22.9 Å²	22.9	14%	0.144	11%	0.113	C	C	.	.	H	α-helix	trans	-66.3	-30.2	177.3	-67.7	-20.6	0	0	0	112.9	R229 Q230 I231 I235 K294 V295	R229-D233 IonicContact CZ-OD1 2.67Å; R229-D233 VanDerWaalsContact NE-CG 3.3Å; R229-D233 IonicContact NE-OD1 2.76Å; R229-D233 PolarHBondContact NE-OD1 3.23Å; R229-D233 IonicContact NE-OD2 3.09Å; R229-D233 PolarHBondContact NE-OD2 3.41Å; R229-D233 IonicContact NH2-OD1 3.5Å; R229-D233 PolarHBondContact NH2-OD1 2.67Å; R229-D233 WeakPolarHBondContact O-CB 3.43Å; R229-D233 VanDerWaalsContact O-CG 3.25Å; R229-D233 PolarHBondContact O-N 3.25Å; Q230-D233 PolarHBondContact O-N 2.94Å; I231-D233 VanDerWaalsContact C-N 3.32Å; I231-D233 PolarHBondContact O-N 3.12Å; D233-I235 VanDerWaalsContact C-N 3.29Å; D233-I235 PolarHBondContact O-N 2.84Å; D233-K294 HydrophobicContact CB-CB 4.29Å; D233-V295 PolarHBondContact O-N 3.32Å
234	S	93.7	Very high	96.9	Very high	47 Å²	47	22.6 Å²	22.6	33%	0.329	11%	0.113	S	C	.	.	H	α-helix	trans	-70.7	-22.1	178.9	77.2	0	0	0	0	114	Q230 I231 C232 V295	Q230-S234 PolarHBondContact O-N 3.17Å; Q230-S234 VanDerWaalsContact O-N 3.1Å; I231-S234 WeakPolarHBondContact O-CB 3.47Å; I231-S234 PolarHBondContact O-N 2.71Å; I231-S234 VanDerWaalsContact O-N 3.11Å; I231-S234 PolarHBondContact O-OG 2.95Å; C232-S234 VanDerWaalsContact C-N 3.29Å; C232-S234 PolarHBondContact O-N 2.84Å; S234-V295 WeakPolarHBondContact O-CG2 3.49Å
235	I	94.5	Very high	96.9	Very high	20 Å²	20	19.2 Å²	19.2	10%	0.103	9%	0.094	C	C	.	.	H	α-helix	trans	-123.4	-1.3	-177.2	60	158.7	0	0	0	113.9	A204 L205 F208 P209 I212 I231 C232 D233 A237	A204-I235 HydrophobicContact CB-CD1 3.99Å; L205-I235 HydrophobicContact CD2-CG2 3.81Å; L205-I235 HydrophobicContact CG-CG2 4.43Å; F208-I235 HydrophobicContact CD1-CG2 4.42Å; P209-I235 VanDerWaalsContact CD-CD1 3.49Å; P209-I235 HydrophobicContact CG-CD1 3.56Å; I212-I235 HydrophobicContact CD1-CD1 4.05Å; I231-I235 WeakPolarHBondContact O-CG1 3.32Å; I231-I235 PolarHBondContact O-N 2.97Å; C232-I235 PolarHBondContact O-N 3.45Å; D233-I235 VanDerWaalsContact C-N 3.29Å; D233-I235 PolarHBondContact O-N 2.84Å; I235-A237 HydrophobicContact CD1-CB 3.72Å; I235-A237 HydrophobicContact CG1-CB 3.9Å
236	G	93.9	Very high	96.9	Very high	4 Å²	4	18.9 Å²	18.9	4%	0.041	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	29.9	-178.1	0	0	0	0	0	114.4	C232 C297 S298	C232-G236 WeakPolarHBondContact O-CA 3.42Å; C232-G236 PolarHBondContact O-N 2.95Å; G236-C297 WeakPolarHBondContact O-CA 3.34Å; G236-S298 PolarHBondContact O-N 2.96Å; G236-S298 PolarHBondContact O-OG 3.37Å
237	A	96.5	Very high	97	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.07	C	C	.	.			trans	-87.8	153	177.9	0	0	0	0	0	112.7	P209 K210 I212 R229 C232 I235	P209-A237 WeakPolarHBondContact O-CB 3.39Å; K210-A237 CarbonylContact O-C 3.33Å; K210-A237 WeakPolarHBondContact O-CA 3.48Å; I212-A237 HydrophobicContact CD1-CB 4.46Å; I212-A237 HydrophobicContact CG1-CB 4.29Å; R229-A237 PolarHBondContact NH2-O 3.49Å; C232-A237 HydrophobicContact CB-CB 4.24Å; C232-A237 WeakPolarHBondContact CB-O 3.28Å; C232-A237 PolarHBondContact O-N 3.14Å; I235-A237 HydrophobicContact CD1-CB 3.72Å; I235-A237 HydrophobicContact CG1-CB 3.9Å
238	V	97.3	Very high	97	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.006	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	133.6	165.8	173.2	0	0	0	0	109.5	L145 K210 L211 I212 D263 V264 I299	L145-V238 HydrophobicContact CD1-CG1 4.04Å; K210-V238 PolarHBondContact O-N 3.23Å; L211-V238 CarbonylContact C-O 3.47Å; L211-V238 VanDerWaalsContact CA-O 3.3Å; L211-V238 WeakPolarHBondContact CA-O 3.38Å; L211-V238 HydrophobicContact CB-CB 4.46Å; L211-V238 HydrophobicContact CD1-CB 4.4Å; L211-V238 HydrophobicContact CD1-CG1 4.21Å; L211-V238 HydrophobicContact CG-CB 4.32Å; L211-V238 HydrophobicContact CG-CG1 4.42Å; I212-V238 PolarHBondContact N-O 3.34Å; V238-D263 WeakPolarHBondContact CA-OD2 3.36Å; V238-D263 HydrophobicContact CG1-CB 3.97Å; V238-V264 HydrophobicContact CG1-CG2 4.37Å; V238-I299 HydrophobicContact CG2-CB 4.1Å; V238-I299 HydrophobicContact CG2-CD1 3.88Å; V238-I299 HydrophobicContact CG2-CG1 4.26Å
239	L	98	Very high	97	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	110.1	169.6	-179.4	54.5	0	0	0	109.9	A214 F228 R229 C232 A262 D263 V264	A214-L239 HydrophobicContact CB-CD1 3.91Å; F228-L239 HydrophobicContact CB-CD1 3.84Å; F228-L239 HydrophobicContact CB-CD2 4.01Å; F228-L239 HydrophobicContact CD1-CD1 4.42Å; F228-L239 HydrophobicContact CG-CD1 4.34Å; R229-L239 HydrophobicContact CB-CD2 4.24Å; C232-L239 HydrophobicContact CB-CB 4.43Å; L239-A262 HydrophobicContact CG-CB 4.4Å; L239-D263 PolarHBondContact N-OD2 3.11Å; L239-D263 PolarHBondContact O-N 3.01Å; L239-V264 PolarHBondContact O-N 3.17Å
240	L	98.7	Very high	97.2	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	118.5	167.8	172.9	60	0	0	0	109.3	V141 Y142 L211 I212 I213 A214 V264	V141-L240 HydrophobicContact CB-CD2 4.48Å; V141-L240 HydrophobicContact CG1-CD1 4.26Å; V141-L240 HydrophobicContact CG1-CD2 4.05Å; V141-L240 HydrophobicContact CG2-CD1 4.5Å; Y142-L240 HydrophobicContact CD1-CD2 4.49Å; Y142-L240 HydrophobicContact CE1-CD2 3.64Å; L211-L240 HydrophobicContact CD1-CB 4.3Å; L211-L240 HydrophobicContact CD2-CB 3.94Å; L211-L240 HydrophobicContact CD2-CD2 4.35Å; L211-L240 HydrophobicContact CG-CB 4.26Å; I212-L240 PolarHBondContact O-N 2.91Å; I213-L240 CarbonylContact C-O 3.42Å; I213-L240 VanDerWaalsContact CA-O 3.27Å; I213-L240 WeakPolarHBondContact CA-O 3.46Å; I213-L240 HydrophobicContact CG1-CD2 4.26Å; A214-L240 PolarHBondContact N-O 3.09Å; L240-V264 CarbonylContact C-O 3.33Å; L240-V264 WeakPolarHBondContact CA-O 3.33Å; L240-V264 HydrophobicContact CD1-CB 3.93Å; L240-V264 HydrophobicContact CD1-CG1 3.67Å
241	A	98.9	Very high	97.3	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	118.3	167.2	0	0	0	0	0	110.4	A214 Y225 P258 A262 V264 V265 S266	A214-A241 CarbonylContact O-C 3.56Å; A214-A241 VanDerWaalsContact O-CA 3.3Å; A214-A241 WeakPolarHBondContact O-CA 3.35Å; Y225-A241 HydrophobicContact CE1-CB 4.15Å; A241-P258 HydrophobicContact CB-CB 3.5Å; A241-P258 VanDerWaalsContact CB-CB 3.5Å; A241-P258 HydrophobicContact CB-CG 4.34Å; A241-A262 HydrophobicContact CB-CB 3.88Å; A241-V264 PolarHBondContact N-O 3.27Å; A241-V265 HydrophobicContact CB-CG1 4.38Å; A241-V265 HydrophobicContact CB-CG2 4.27Å; A241-V265 CarbonylContact O-C 3.54Å; A241-V265 VanDerWaalsContact O-CA 3.26Å; A241-V265 WeakPolarHBondContact O-CA 3.38Å; A241-V265 WeakPolarHBondContact O-CG1 3.34Å; A241-S266 PolarHBondContact O-N 2.94Å
242	D	98.9	Very high	97.4	Very high	13 Å²	13	7.4 Å²	7.4	7%	0.07	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	98.4	170.2	-178.4	-15.6	0	0	0	108.5	N138 H165 I213 A214 G215 A244	N138-D242 PolarHBondContact ND2-OD2 3.38Å; H165-D242 IonicContact CD2-OD2 2.85Å; H165-D242 IonicContact CE1-OD2 3.71Å; H165-D242 IonicContact NE2-OD2 2.75Å; H165-D242 PolarHBondContact NE2-OD2 2.82Å; I213-D242 HydrophobicContact CG2-CB 4.36Å; A214-D242 PolarHBondContact O-N 3.17Å; G215-D242 WeakPolarHBondContact CA-O 3.46Å; D242-A244 VanDerWaalsContact C-N 3.33Å; D242-A244 WeakPolarHBondContact OD1-CB 3.34Å; D242-A244 PolarHBondContact OD1-N 2.97Å
243	M	98.7	Very high	97.5	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.08	C	C	.	.			trans	-94	16	-176.5	69.9	169.8	179.2	0	0	113.1	F111 H245 I246 S247 V250 P258 F259 V265 S266 F282	F111-M243 HydrophobicContact CD1-CE 4.49Å; F111-M243 HydrophobicContact CE1-CE 3.83Å; F111-M243 HydrophobicContact CE1-SD 4.24Å; F111-M243 HydrophobicContact CE2-CE 4.14Å; F111-M243 HydrophobicContact CZ-CE 3.64Å; M243-H245 PolarHBondContact O-N 3.2Å; M243-I246 HydrophobicContact CB-CG1 3.95Å; M243-I246 CarbonylContact O-C 3.56Å; M243-I246 PolarHBondContact O-N 3.15Å; M243-S247 PolarHBondContact O-N 3.14Å; M243-V250 HydrophobicContact SD-CB 4.45Å; M243-V250 HydrophobicContact SD-CG1 4.32Å; M243-P258 HydrophobicContact CB-CG 4.32Å; M243-P258 HydrophobicContact SD-CG 4.12Å; M243-F259 HydrophobicContact CE-CE2 3.86Å; M243-F259 HydrophobicContact CE-CZ 3.74Å; M243-F259 HydrophobicContact SD-CE2 3.94Å; M243-F259 HydrophobicContact SD-CZ 4.3Å; M243-V265 HydrophobicContact CB-CG1 4.35Å; M243-V265 HydrophobicContact CE-CG1 3.83Å; M243-V265 HydrophobicContact CG-CG1 3.68Å; M243-V265 HydrophobicContact SD-CG1 3.68Å; M243-S266 WeakPolarHBondContact CG-O 3.3Å; M243-S266 PolarHBondContact N-O 2.9Å; M243-F282 HydrophobicContact CE-CD2 4.25Å; M243-F282 HydrophobicContact CE-CE2 3.78Å
244	A	98.7	Very high	97.7	Very high	7 Å²	7	15.6 Å²	15.6	6%	0.058	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-35.8	-170.1	0	0	0	0	0	114.6	D242 T268 K271	D242-A244 VanDerWaalsContact C-N 3.33Å; D242-A244 WeakPolarHBondContact OD1-CB 3.34Å; D242-A244 PolarHBondContact OD1-N 2.97Å; A244-T268 HydrophobicContact CB-CG2 4.13Å; A244-T268 WeakPolarHBondContact CB-OG1 3.4Å; A244-T268 PolarHBondContact O-OG1 2.99Å; A244-K271 WeakPolarHBondContact O-CD 3.48Å
245	H	98.5	Very high	97.9	Very high	6 Å²	6	14 Å²	14	3%	0.028	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-27.3	179.2	-101.8	-78	0	0	0	113.5	M243 T272 H373 R425	M243-H245 PolarHBondContact O-N 3.2Å; H245-T272 WeakPolarHBondContact O-CG2 3.38Å; H245-T272 PolarHBondContact O-OG1 3.13Å; H245-H373 AromaticContact CG-CE1 4Å; H245-H373 AromaticContact ND1-CE1 3.46Å; H245-H373 PolarHBondContact ND1-CE1 3.23Å; H245-H373 AromaticContact ND1-NE2 3.15Å; H245-H373 PolarHBondContact ND1-NE2 3.33Å; H245-H373 VanDerWaalsContact ND1-NE2 3.15Å; H245-H373 PolarHBondContact O-CE1 2.9Å; H245-H373 PolarHBondContact O-ND1 2.96Å; H245-R425 PolarHBondContact CE1-NH1 2.92Å; H245-R425 PolarHBondContact NE2-NH1 2.87Å
246	I	98.5	Very high	98	Very high	5 Å²	5	16.5 Å²	16.5	3%	0.026	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	3.3	-172.2	64.7	168.7	0	0	0	113.9	Y225 M243 G248 L249 V250 V372	Y225-I246 WeakPolarHBondContact OH-CD1 3.32Å; M243-I246 HydrophobicContact CB-CG1 3.95Å; M243-I246 CarbonylContact O-C 3.56Å; M243-I246 PolarHBondContact O-N 3.15Å; I246-G248 VanDerWaalsContact C-N 3.3Å; I246-G248 PolarHBondContact O-N 3.31Å; I246-L249 HydrophobicContact CB-CD1 4.38Å; I246-L249 HydrophobicContact CG2-CD1 4.36Å; I246-L249 WeakPolarHBondContact O-CA 3.44Å; I246-L249 VanDerWaalsContact O-CB 3.32Å; I246-L249 WeakPolarHBondContact O-CB 3.25Å; I246-L249 PolarHBondContact O-N 3.4Å; I246-V250 HydrophobicContact CD1-CG2 3.87Å; I246-V250 HydrophobicContact CG1-CG2 3.96Å; I246-V250 PolarHBondContact O-N 3.4Å; I246-V372 HydrophobicContact CG2-CG1 4.26Å
247	S	98.5	Very high	98.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-56	-38.1	-172.3	52.1	0	0	0	0	114.3	M243 L249 V250 A251 S267 T272	M243-S247 PolarHBondContact O-N 3.14Å; S247-L249 VanDerWaalsContact C-N 3.35Å; S247-V250 PolarHBondContact O-N 2.86Å; S247-A251 VanDerWaalsContact O-CB 3.3Å; S247-A251 WeakPolarHBondContact O-CB 3.29Å; S247-A251 PolarHBondContact O-N 3.08Å; S247-S267 WeakPolarHBondContact CB-OG 3.37Å; S247-S267 PolarHBondContact OG-OG 3.46Å; S247-T272 PolarHBondContact N-OG1 3.4Å
248	G	98.5	Very high	98.3	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-67.7	-33.5	174.1	0	0	0	0	0	113.7	I246 S252 T272	I246-G248 VanDerWaalsContact C-N 3.3Å; I246-G248 PolarHBondContact O-N 3.31Å; G248-S252 WeakPolarHBondContact O-CB 3.45Å; G248-S252 PolarHBondContact O-N 2.85Å; G248-S252 VanDerWaalsContact O-N 3.14Å; G248-S252 PolarHBondContact O-OG 3.28Å; G248-T272 PolarHBondContact N-OG1 2.98Å; G248-T272 VanDerWaalsContact N-OG1 3.17Å
249	L	98.7	Very high	98.4	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-71.5	-41.5	176.7	-53.8	178.7	0	0	0	110.9	I246 S247 S252 K253 V254 V255 A344 V347 L348 H373	I246-L249 HydrophobicContact CB-CD1 4.38Å; I246-L249 HydrophobicContact CG2-CD1 4.36Å; I246-L249 WeakPolarHBondContact O-CA 3.44Å; I246-L249 VanDerWaalsContact O-CB 3.32Å; I246-L249 WeakPolarHBondContact O-CB 3.25Å; I246-L249 PolarHBondContact O-N 3.4Å; S247-L249 VanDerWaalsContact C-N 3.35Å; L249-S252 PolarHBondContact O-N 2.83Å; L249-K253 PolarHBondContact O-N 3.1Å; L249-V254 HydrophobicContact CB-CG2 3.92Å; L249-V254 HydrophobicContact CD2-CG2 4.11Å; L249-V254 WeakPolarHBondContact O-CG2 3.27Å; L249-V254 PolarHBondContact O-N 2.92Å; L249-V254 VanDerWaalsContact O-N 3.16Å; L249-V255 HydrophobicContact CB-CB 4.46Å; L249-V255 HydrophobicContact CB-CG1 4.04Å; L249-V255 HydrophobicContact CB-CG2 3.58Å; L249-V255 HydrophobicContact CD1-CG1 4.27Å; L249-A344 HydrophobicContact CD2-CB 4.12Å; L249-V347 HydrophobicContact CD2-CG1 4.27Å; L249-L348 HydrophobicContact CD1-CD2 3.91Å; L249-L348 HydrophobicContact CD2-CD2 4.31Å; L249-L348 HydrophobicContact CD2-CG 4.19Å; L249-H373 HydrophobicContact CD1-CB 4.37Å
250	V	98.6	Very high	98.2	Very high	7 Å²	7	24.3 Å²	24.3	4%	0.042	13%	0.13	C	C	.	.	H	α-helix	trans	-63.4	-48.1	175	173.1	0	0	0	0	110.3	F111 M243 I246 S247 S252 K253 V255 F259	F111-V250 HydrophobicContact CD1-CG1 3.93Å; F111-V250 HydrophobicContact CE1-CB 4.27Å; F111-V250 HydrophobicContact CE1-CG1 3.93Å; M243-V250 HydrophobicContact SD-CB 4.45Å; M243-V250 HydrophobicContact SD-CG1 4.32Å; I246-V250 HydrophobicContact CD1-CG2 3.87Å; I246-V250 HydrophobicContact CG1-CG2 3.96Å; I246-V250 PolarHBondContact O-N 3.4Å; S247-V250 PolarHBondContact O-N 2.86Å; V250-S252 PolarHBondContact O-N 3.25Å; V250-K253 PolarHBondContact O-N 3.32Å; V250-V255 HydrophobicContact CG2-CG2 3.78Å; V250-F259 HydrophobicContact CG1-CD2 4.41Å; V250-F259 HydrophobicContact CG1-CE2 4.37Å
251	A	98.3	Very high	98.1	Very high	9 Å²	9	26.8 Å²	26.8	7%	0.074	14%	0.139	C	C	.	.	H	α-helix	trans	-56.6	-36.3	177.1	0	0	0	0	0	112.2	L110 F111 S247 K253 L273	L110-A251 HydrophobicContact CD1-CB 4.03Å; L110-A251 HydrophobicContact CD2-CB 3.99Å; L110-A251 HydrophobicContact CG-CB 3.87Å; F111-A251 HydrophobicContact CD1-CB 4.3Å; F111-A251 HydrophobicContact CE1-CB 3.68Å; F111-A251 HydrophobicContact CZ-CB 3.99Å; S247-A251 VanDerWaalsContact O-CB 3.3Å; S247-A251 WeakPolarHBondContact O-CB 3.29Å; S247-A251 PolarHBondContact O-N 3.08Å; A251-K253 VanDerWaalsContact C-N 3.29Å; A251-K253 PolarHBondContact O-N 2.73Å; A251-L273 HydrophobicContact CB-CD1 3.9Å
252	S	98.2	Very high	98.1	Very high	5 Å²	5	26.8 Å²	26.8	4%	0.035	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-2.8	178.5	-59.1	0	0	0	0	114.2	G248 L249 V250 V254 F340 Q341 A344	G248-S252 WeakPolarHBondContact O-CB 3.45Å; G248-S252 PolarHBondContact O-N 2.85Å; G248-S252 VanDerWaalsContact O-N 3.14Å; G248-S252 PolarHBondContact O-OG 3.28Å; L249-S252 PolarHBondContact O-N 2.83Å; V250-S252 PolarHBondContact O-N 3.25Å; S252-V254 PolarHBondContact O-N 3.03Å; S252-F340 WeakPolarHBondContact OG-CD1 3.37Å; S252-Q341 WeakPolarHBondContact O-CG 3.46Å; S252-Q341 PolarHBondContact O-NE2 3.02Å; S252-A344 VanDerWaalsContact CB-CB 3.42Å; S252-A344 WeakPolarHBondContact OG-CB 3.5Å
253	K	97.7	Very high	98	Very high	161 Å²	161	26.4 Å²	26.4	70%	0.7	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	30.5	-177.5	-51.3	178.2	-177.1	178.5	0	113.5	L249 V250 A251	L249-K253 PolarHBondContact O-N 3.1Å; V250-K253 PolarHBondContact O-N 3.32Å; A251-K253 VanDerWaalsContact C-N 3.29Å; A251-K253 PolarHBondContact O-N 2.73Å
254	V	98	Very high	98	Very high	38 Å²	38	26.4 Å²	26.4	23%	0.23	14%	0.137	C	C	.	.	S	Bend	trans	-96.6	-7.2	177.6	-61.2	0	0	0	0	112.9	L249 S252 A344 R345 L348	L249-V254 HydrophobicContact CB-CG2 3.92Å; L249-V254 HydrophobicContact CD2-CG2 4.11Å; L249-V254 WeakPolarHBondContact O-CG2 3.27Å; L249-V254 PolarHBondContact O-N 2.92Å; L249-V254 VanDerWaalsContact O-N 3.16Å; S252-V254 PolarHBondContact O-N 3.03Å; V254-A344 HydrophobicContact CG2-CB 4Å; V254-R345 HydrophobicContact CG1-CG 3.71Å; V254-L348 HydrophobicContact CB-CD1 4.02Å; V254-L348 HydrophobicContact CG2-CD1 3.75Å
255	V	98	Very high	98	Very high	14 Å²	14	26 Å²	26	9%	0.085	13%	0.134	C	C	.	.	S	Bend	trans	-136.8	160.2	172.6	-60.8	0	0	0	0	109.8	L222 L249 V250 L348	L222-V255 HydrophobicContact CD2-CB 3.8Å; L222-V255 HydrophobicContact CD2-CG1 3.85Å; L249-V255 HydrophobicContact CB-CB 4.46Å; L249-V255 HydrophobicContact CB-CG1 4.04Å; L249-V255 HydrophobicContact CB-CG2 3.58Å; L249-V255 HydrophobicContact CD1-CG1 4.27Å; V250-V255 HydrophobicContact CG2-CG2 3.78Å; V255-L348 HydrophobicContact CG1-CD1 4.21Å
256	P	97.8	Very high	98	Very high	73 Å²	73	25.8 Å²	25.8	47%	0.474	13%	0.133	S	C	.	.			trans	-55.8	140.5	177.3	-26.2	35.8	0	0	0	113	L222	L222-P256 HydrophobicContact CD1-CG 4.27Å
257	S	98.3	Very high	98	Very high	39 Å²	39	25.7 Å²	25.7	27%	0.273	13%	0.133	S	C	.	.			trans	-87.6	129.6	-178	-179.5	0	0	0	0	111.6	F259	S257-F259 PolarHBondContact O-N 3.2Å; S257-F259 WeakPolarHBondContact OG-CB 3.23Å; S257-F259 WeakPolarHBondContact OG-CD2 2.98Å; S257-F259 PolarHBondContact OG-N 2.85Å
258	P	98.4	Very high	98	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-67.2	-22.1	172.8	27.7	-33.8	0	0	0	112.6	Y225 A241 M243 E260 Y261 A262 V265	Y225-P258 HydrophobicContact CD1-CB 4.16Å; Y225-P258 HydrophobicContact CD2-CB 4.36Å; Y225-P258 HydrophobicContact CE1-CB 3.79Å; Y225-P258 HydrophobicContact CE2-CB 4Å; Y225-P258 HydrophobicContact CG-CB 4.44Å; A241-P258 HydrophobicContact CB-CB 3.5Å; A241-P258 VanDerWaalsContact CB-CB 3.5Å; A241-P258 HydrophobicContact CB-CG 4.34Å; M243-P258 HydrophobicContact CB-CG 4.32Å; M243-P258 HydrophobicContact SD-CG 4.12Å; P258-E260 PolarHBondContact O-N 2.98Å; P258-E260 VanDerWaalsContact O-N 3.14Å; P258-Y261 PolarHBondContact O-N 3.08Å; P258-A262 WeakPolarHBondContact O-CB 3.47Å; P258-A262 PolarHBondContact O-N 3.28Å; P258-V265 HydrophobicContact CB-CG2 4.46Å; P258-V265 HydrophobicContact CG-CG1 4.11Å; P258-V265 HydrophobicContact CG-CG2 4.45Å
259	F	97.6	Very high	98.1	Very high	9 Å²	9	25.9 Å²	25.9	4%	0.039	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-65.7	-14.3	-176	-67.3	-78.7	0	0	0	113.8	F111 L113 W125 M243 V250 S257 Y261 V265 F282 R284	F111-F259 HydrophobicContact CB-CD2 4.31Å; F111-F259 HydrophobicContact CB-CE2 3.86Å; F111-F259 HydrophobicContact CB-CZ 4.22Å; F111-F259 HydrophobicContact CD1-CD2 4.31Å; F111-F259 AromaticContact CD1-CE2 3.53Å; F111-F259 HydrophobicContact CD1-CE2 3.53Å; F111-F259 HydrophobicContact CD1-CZ 4.27Å; F111-F259 HydrophobicContact CD2-CE2 4.45Å; F111-F259 HydrophobicContact CD2-CZ 4.43Å; F111-F259 HydrophobicContact CE1-CE2 4.16Å; F111-F259 AromaticContact CG-CE2 3.69Å; F111-F259 HydrophobicContact CG-CE2 3.69Å; F111-F259 HydrophobicContact CG-CZ 4.06Å; L113-F259 HydrophobicContact CD1-CD1 3.52Å; L113-F259 HydrophobicContact CD1-CE1 3.33Å; L113-F259 HydrophobicContact CD1-CE2 4.4Å; L113-F259 HydrophobicContact CD1-CG 4.15Å; L113-F259 HydrophobicContact CD1-CZ 3.81Å; L113-F259 HydrophobicContact CD2-CB 3.66Å; L113-F259 HydrophobicContact CD2-CD1 3.62Å; L113-F259 HydrophobicContact CD2-CD2 4.26Å; L113-F259 HydrophobicContact CD2-CE1 4.3Å; L113-F259 HydrophobicContact CD2-CG 3.6Å; L113-F259 HydrophobicContact CG-CD1 4.2Å; L113-F259 HydrophobicContact CG-CE1 4.41Å; L113-F259 HydrophobicContact CG-CG 4.43Å; W125-F259 HydrophobicContact CD2-CD1 4.29Å; W125-F259 HydrophobicContact CE3-CD1 4.2Å; W125-F259 HydrophobicContact CE3-CE1 4.45Å; W125-F259 AromaticContact CH2-CD1 3.9Å; W125-F259 HydrophobicContact CH2-CD1 3.9Å; W125-F259 HydrophobicContact CZ2-CB 4.24Å; W125-F259 AromaticContact CZ2-CD1 3.93Å; W125-F259 HydrophobicContact CZ2-CD1 3.93Å; W125-F259 WeakPolarHBondContact CZ2-O 2.99Å; W125-F259 HydrophobicContact CZ3-CD1 4.05Å; W125-F259 HydrophobicContact CZ3-CE1 4.38Å; M243-F259 HydrophobicContact CE-CE2 3.86Å; M243-F259 HydrophobicContact CE-CZ 3.74Å; M243-F259 HydrophobicContact SD-CE2 3.94Å; M243-F259 HydrophobicContact SD-CZ 4.3Å; V250-F259 HydrophobicContact CG1-CD2 4.41Å; V250-F259 HydrophobicContact CG1-CE2 4.37Å; S257-F259 PolarHBondContact O-N 3.2Å; S257-F259 WeakPolarHBondContact OG-CB 3.23Å; S257-F259 WeakPolarHBondContact OG-CD2 2.98Å; S257-F259 PolarHBondContact OG-N 2.85Å; F259-Y261 VanDerWaalsContact C-N 3.34Å; F259-V265 HydrophobicContact CD1-CB 4.27Å; F259-V265 HydrophobicContact CD1-CG2 3.63Å; F259-V265 HydrophobicContact CE1-CB 3.68Å; F259-V265 HydrophobicContact CE1-CG1 4.11Å; F259-V265 HydrophobicContact CE1-CG2 3.57Å; F259-V265 HydrophobicContact CE2-CG1 4.38Å; F259-V265 HydrophobicContact CG-CG2 4.25Å; F259-V265 HydrophobicContact CZ-CB 3.98Å; F259-V265 HydrophobicContact CZ-CG1 3.89Å; F259-V265 HydrophobicContact CZ-CG2 4.16Å; F259-F282 HydrophobicContact CE1-CB 3.63Å; F259-F282 AromaticContact CE1-CD1 3.99Å; F259-F282 HydrophobicContact CE1-CD1 3.99Å; F259-F282 AromaticContact CE1-CD2 3.89Å; F259-F282 HydrophobicContact CE1-CD2 3.89Å; F259-F282 AromaticContact CE1-CG 3.58Å; F259-F282 HydrophobicContact CE1-CG 3.58Å; F259-F282 HydrophobicContact CZ-CB 4.32Å; F259-F282 HydrophobicContact CZ-CD1 4.17Å; F259-F282 AromaticContact CZ-CD2 3.68Å; F259-F282 HydrophobicContact CZ-CD2 3.68Å; F259-F282 HydrophobicContact CZ-CE1 4.41Å; F259-F282 AromaticContact CZ-CE2 3.94Å; F259-F282 HydrophobicContact CZ-CE2 3.94Å; F259-F282 AromaticContact CZ-CG 3.81Å; F259-F282 HydrophobicContact CZ-CG 3.81Å; F259-F282 HydrophobicContact CZ-CZ 4.3Å; F259-R284 PolarHBondContact O-NH2 3.15Å
260	E	95.3	Very high	98	Very high	120 Å²	120	27.2 Å²	27.2	56%	0.561	14%	0.14	S	C	*	.	G	3₁₀ helix	trans	-69.6	-35.1	172.4	-172	179.4	152	0	0	111.3	P258 R284	P258-E260 PolarHBondContact O-N 2.98Å; P258-E260 VanDerWaalsContact O-N 3.14Å; E260-R284 PolarHBondContact O-NH2 3.31Å; E260-R284 VanDerWaalsContact O-NH2 3.14Å
261	Y	96.5	Very high	98	Very high	53 Å²	53	28 Å²	28	21%	0.208	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-35.6	-167.3	-64.4	-75.1	0	0	0	114.1	Y225 K226 R229 P258 F259 R288	Y225-Y261 VanDerWaalsContact CB-CD2 3.49Å; K226-Y261 HydrophobicContact CB-CD1 4.2Å; K226-Y261 HydrophobicContact CB-CE1 3.6Å; K226-Y261 HydrophobicContact CB-CE2 4.31Å; K226-Y261 HydrophobicContact CD-CE1 4.45Å; K226-Y261 HydrophobicContact CG-CE1 3.77Å; R229-Y261 HydrophobicContact CB-CD1 3.92Å; R229-Y261 HydrophobicContact CB-CG 4.42Å; R229-Y261 WeakPolarHBondContact CD-O 3.37Å; R229-Y261 HydrophobicContact CG-CD1 4.2Å; P258-Y261 PolarHBondContact O-N 3.08Å; F259-Y261 VanDerWaalsContact C-N 3.34Å; Y261-R288 VanDerWaalsContact O-CZ 3.32Å; Y261-R288 PolarHBondContact O-NH1 2.96Å
262	A	97.5	Very high	98	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.14	C	C	.	.			trans	-67.4	154.4	-174.4	0	0	0	0	0	112.6	W125 L239 A241 P258 V265 R284 R288	W125-A262 WeakPolarHBondContact CH2-O 3.5Å; L239-A262 HydrophobicContact CG-CB 4.4Å; A241-A262 HydrophobicContact CB-CB 3.88Å; P258-A262 WeakPolarHBondContact O-CB 3.47Å; P258-A262 PolarHBondContact O-N 3.28Å; A262-V265 HydrophobicContact CB-CG2 3.69Å; A262-R284 PolarHBondContact O-NE 2.7Å; A262-R288 PolarHBondContact O-NH1 3Å
263	D	97.4	Very high	98	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.027	14%	0.138	C	C	.	.	S	Bend	trans	-89.1	-38	167.3	-58.5	-53.5	0	0	0	110.4	R229 V238 L239 R284 R288 L304	R229-D263 IonicContact CZ-OD2 2.82Å; R229-D263 VanDerWaalsContact NH1-CG 3.3Å; R229-D263 IonicContact NH1-OD1 2.78Å; R229-D263 PolarHBondContact NH1-OD1 3.25Å; R229-D263 IonicContact NH1-OD2 2.76Å; R229-D263 PolarHBondContact NH1-OD2 3.46Å; R229-D263 IonicContact NH2-OD2 2.71Å; V238-D263 WeakPolarHBondContact CA-OD2 3.36Å; V238-D263 HydrophobicContact CG1-CB 3.97Å; L239-D263 PolarHBondContact N-OD2 3.11Å; L239-D263 PolarHBondContact O-N 3.01Å; D263-R284 PolarHBondContact O-N 2.59Å; D263-R284 VanDerWaalsContact O-N 3.08Å; D263-R288 IonicContact OD1-CZ 2.89Å; D263-R288 IonicContact OD1-NH1 3.76Å; D263-R288 PolarHBondContact OD1-NH1 3.28Å; D263-R288 IonicContact OD1-NH2 3.8Å; D263-R288 PolarHBondContact OD1-NH2 3.44Å; D263-L304 HydrophobicContact CB-CD1 4.28Å
264	V	98.7	Very high	98.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	140.4	178.9	-177.4	0	0	0	0	108.4	V141 L145 V238 L239 L240 A241 I281 F282 L304 I308	V141-V264 HydrophobicContact CG1-CG1 4.05Å; V141-V264 HydrophobicContact CG2-CG1 3.85Å; L145-V264 HydrophobicContact CD1-CG2 4.05Å; V238-V264 HydrophobicContact CG1-CG2 4.37Å; L239-V264 PolarHBondContact O-N 3.17Å; L240-V264 CarbonylContact C-O 3.33Å; L240-V264 WeakPolarHBondContact CA-O 3.33Å; L240-V264 HydrophobicContact CD1-CB 3.93Å; L240-V264 HydrophobicContact CD1-CG1 3.67Å; A241-V264 PolarHBondContact N-O 3.27Å; V264-I281 HydrophobicContact CG1-CG2 3.77Å; V264-F282 CarbonylContact C-O 3.41Å; V264-F282 WeakPolarHBondContact CA-O 3.44Å; V264-F282 VanDerWaalsContact CG1-O 3.29Å; V264-F282 WeakPolarHBondContact CG1-O 3.38Å; V264-L304 HydrophobicContact CG2-CD1 4.2Å; V264-L304 HydrophobicContact CG2-CD2 4.29Å; V264-I308 HydrophobicContact CG1-CD1 4.03Å; V264-I308 HydrophobicContact CG2-CD1 3.91Å
265	V	98.9	Very high	98.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	119.4	174.1	-174.6	0	0	0	0	108.8	W125 A241 M243 P258 F259 A262 F282	W125-V265 HydrophobicContact CH2-CG2 4.15Å; W125-V265 HydrophobicContact CZ3-CG2 4.28Å; A241-V265 HydrophobicContact CB-CG1 4.38Å; A241-V265 HydrophobicContact CB-CG2 4.27Å; A241-V265 CarbonylContact O-C 3.54Å; A241-V265 VanDerWaalsContact O-CA 3.26Å; A241-V265 WeakPolarHBondContact O-CA 3.38Å; A241-V265 WeakPolarHBondContact O-CG1 3.34Å; M243-V265 HydrophobicContact CB-CG1 4.35Å; M243-V265 HydrophobicContact CE-CG1 3.83Å; M243-V265 HydrophobicContact CG-CG1 3.68Å; M243-V265 HydrophobicContact SD-CG1 3.68Å; P258-V265 HydrophobicContact CB-CG2 4.46Å; P258-V265 HydrophobicContact CG-CG1 4.11Å; P258-V265 HydrophobicContact CG-CG2 4.45Å; F259-V265 HydrophobicContact CD1-CB 4.27Å; F259-V265 HydrophobicContact CD1-CG2 3.63Å; F259-V265 HydrophobicContact CE1-CB 3.68Å; F259-V265 HydrophobicContact CE1-CG1 4.11Å; F259-V265 HydrophobicContact CE1-CG2 3.57Å; F259-V265 HydrophobicContact CE2-CG1 4.38Å; F259-V265 HydrophobicContact CG-CG2 4.25Å; F259-V265 HydrophobicContact CZ-CB 3.98Å; F259-V265 HydrophobicContact CZ-CG1 3.89Å; F259-V265 HydrophobicContact CZ-CG2 4.16Å; A262-V265 HydrophobicContact CB-CG2 3.69Å; V265-F282 HydrophobicContact CB-CB 4.2Å; V265-F282 HydrophobicContact CB-CD2 4.37Å; V265-F282 PolarHBondContact N-O 2.95Å; V265-F282 PolarHBondContact O-N 3.01Å
266	S	98.9	Very high	98.1	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.007	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	153.1	171.4	65.2	0	0	0	0	110.6	N138 A241 M243 I280	N138-S266 VanDerWaalsContact OD1-CB 3.27Å; N138-S266 WeakPolarHBondContact OD1-CB 2.97Å; N138-S266 PolarHBondContact OD1-OG 3.4Å; A241-S266 PolarHBondContact O-N 2.94Å; M243-S266 WeakPolarHBondContact CG-O 3.3Å; M243-S266 PolarHBondContact N-O 2.9Å; S266-I280 WeakPolarHBondContact CA-O 3.5Å
267	S	98.9	Very high	98.2	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.014	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	155.6	173.8	-172.7	0	0	0	0	111.6	S247 G279 I280	S247-S267 WeakPolarHBondContact CB-OG 3.37Å; S247-S267 PolarHBondContact OG-OG 3.46Å; S267-G279 CarbonylContact O-C 3.5Å; S267-G279 VanDerWaalsContact O-CA 3.28Å; S267-G279 WeakPolarHBondContact O-CA 3.26Å; S267-I280 PolarHBondContact N-O 3.13Å; S267-I280 PolarHBondContact O-N 3.38Å
268	T	98.8	Very high	98.2	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.031	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	155.9	154.9	52.8	0	0	0	0	111.2	A244 H270 K271 S278	A244-T268 HydrophobicContact CB-CG2 4.13Å; A244-T268 WeakPolarHBondContact CB-OG1 3.4Å; A244-T268 PolarHBondContact O-OG1 2.99Å; T268-H270 WeakPolarHBondContact CB-CE1 3.45Å; T268-H270 WeakPolarHBondContact CG2-CE1 3.41Å; T268-K271 PolarHBondContact OG1-NZ 3.36Å; T268-S278 WeakPolarHBondContact CA-O 3.38Å
269	T	98.8	Very high	98.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	-94.6	-17.8	177	49.5	0	0	0	0	114.1	G275 P276 S278 I280 I328 M331	T269-G275 WeakPolarHBondContact O-CA 3.15Å; T269-G275 PolarHBondContact O-N 3.2Å; T269-P276 PolarHBondContact OG1-O 3.4Å; T269-S278 PolarHBondContact N-O 2.97Å; T269-S278 VanDerWaalsContact N-O 3.09Å; T269-S278 WeakPolarHBondContact OG1-CB 3.4Å; T269-S278 PolarHBondContact OG1-N 2.93Å; T269-S278 PolarHBondContact OG1-O 3.47Å; T269-I280 HydrophobicContact CG2-CD1 4.16Å; T269-I280 HydrophobicContact CG2-CG1 4.36Å; T269-I280 HydrophobicContact CG2-CG2 3.77Å; T269-I328 HydrophobicContact CG2-CD1 4.34Å; T269-I328 HydrophobicContact CG2-CG1 4.16Å; T269-M331 HydrophobicContact CG2-CE 3.77Å; T269-M331 HydrophobicContact CG2-SD 4.3Å
270	H	98.4	Very high	98.3	Very high	31 Å²	31	23 Å²	23	14%	0.144	10%	0.097	C	C	.	.	S	Bend	trans	-91	-15.2	-168	48.9	-87.1	0	0	0	117.3	T268 G275 P276 R277	T268-H270 WeakPolarHBondContact CB-CE1 3.45Å; T268-H270 WeakPolarHBondContact CG2-CE1 3.41Å; H270-G275 VanDerWaalsContact CA-O 3.31Å; H270-G275 WeakPolarHBondContact CA-O 3.3Å; H270-P276 WeakPolarHBondContact CB-O 3.28Å; H270-P276 PolarHBondContact N-O 3.47Å; H270-R277 HydrophobicContact CB-CG 4.34Å
271	K	98.6	Very high	98.4	Very high	22 Å²	22	17.3 Å²	17.3	10%	0.096	7%	0.07	C	C	.	.	S	Bend	trans	-79.5	-114.6	-172.8	-56.3	-166.6	-177	86.4	0	111.8	N62 A244 T268 L273 R274	N62-K271 WeakPolarHBondContact CB-O 3.47Å; N62-K271 PolarHBondContact ND2-O 3.41Å; A244-K271 WeakPolarHBondContact O-CD 3.48Å; T268-K271 PolarHBondContact OG1-NZ 3.36Å; K271-L273 PolarHBondContact O-N 3.27Å; K271-R274 PolarHBondContact O-N 2.88Å; K271-R274 VanDerWaalsContact O-N 3.07Å
272	T	98.5	Very high	98.6	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.012	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.1	177.2	47.8	0	0	0	0	113.2	H245 S247 G248 R274 H373 P429	H245-T272 WeakPolarHBondContact O-CG2 3.38Å; H245-T272 PolarHBondContact O-OG1 3.13Å; S247-T272 PolarHBondContact N-OG1 3.4Å; G248-T272 PolarHBondContact N-OG1 2.98Å; G248-T272 VanDerWaalsContact N-OG1 3.17Å; T272-R274 VanDerWaalsContact C-N 3.29Å; T272-H373 HydrophobicContact CG2-CB 4.18Å; T272-P429 HydrophobicContact CG2-CG 3.84Å
273	L	98.2	Very high	98.6	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-8.9	174.8	-159.6	64.7	0	0	0	113.7	L110 F111 A251 K271 G275 M331 A335 F340	L110-L273 HydrophobicContact CD2-CD1 4.21Å; F111-L273 HydrophobicContact CZ-CD2 4.49Å; A251-L273 HydrophobicContact CB-CD1 3.9Å; K271-L273 PolarHBondContact O-N 3.27Å; L273-G275 PolarHBondContact O-N 3.49Å; L273-M331 HydrophobicContact CB-SD 4.09Å; L273-M331 HydrophobicContact CD2-CE 3.94Å; L273-M331 HydrophobicContact CD2-SD 3.44Å; L273-M331 WeakPolarHBondContact CD2-SD 3.42Å; L273-M331 HydrophobicContact CG-CE 4.49Å; L273-M331 HydrophobicContact CG-CG 4.22Å; L273-M331 HydrophobicContact CG-SD 3.43Å; L273-M331 WeakPolarHBondContact CG-SD 3.43Å; L273-M331 WeakPolarHBondContact O-CG 3.36Å; L273-A335 HydrophobicContact CD1-CB 4.14Å; L273-F340 HydrophobicContact CD1-CZ 4.43Å
274	R	98.2	Very high	98.6	Very high	47 Å²	47	15.7 Å²	15.7	18%	0.177	6%	0.063	C	C	.	.			trans	58.8	28.7	170.2	-156	176.1	66.3	-166.2	1.9	115.3	N62 F63 I68 K271 T272 E334 F340	N62-R274 HydrophobicContact CB-CG 4.48Å; F63-R274 VanDerWaalsContact O-CD 3.26Å; F63-R274 WeakPolarHBondContact O-CD 3.33Å; F63-R274 WeakPolarHBondContact O-CG 3.49Å; I68-R274 WeakPolarHBondContact CD1-O 3.28Å; K271-R274 PolarHBondContact O-N 2.88Å; K271-R274 VanDerWaalsContact O-N 3.07Å; T272-R274 VanDerWaalsContact C-N 3.29Å; R274-E334 IonicContact NH2-OE2 3.17Å; R274-F340 HydrophobicContact CB-CE2 4.33Å
275	G	98.5	Very high	98.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	7%	0.073	C	C	.	.			trans	-93.7	-171.1	179.7	0	0	0	0	0	115.9	V64 T269 H270 L273 M331	V64-G275 WeakPolarHBondContact CG1-O 3.13Å; T269-G275 WeakPolarHBondContact O-CA 3.15Å; T269-G275 PolarHBondContact O-N 3.2Å; H270-G275 VanDerWaalsContact CA-O 3.31Å; H270-G275 WeakPolarHBondContact CA-O 3.3Å; L273-G275 PolarHBondContact O-N 3.49Å; G275-M331 WeakPolarHBondContact CA-SD 3.45Å
276	P	98.6	Very high	98	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.013	10%	0.096	C	C	.	.			trans	-67.6	167.1	172.1	34	-39.6	0	0	0	111.3	I68 L72 T269 H270 S278 T324 A327 I328	I68-P276 HydrophobicContact CG2-CB 4.21Å; L72-P276 HydrophobicContact CD1-CB 4.23Å; L72-P276 HydrophobicContact CD2-CB 3.97Å; L72-P276 HydrophobicContact CG-CB 4.43Å; T269-P276 PolarHBondContact OG1-O 3.4Å; H270-P276 WeakPolarHBondContact CB-O 3.28Å; H270-P276 PolarHBondContact N-O 3.47Å; P276-S278 PolarHBondContact O-N 3.34Å; P276-T324 HydrophobicContact CB-CG2 4.15Å; P276-T324 HydrophobicContact CG-CG2 4.13Å; P276-A327 HydrophobicContact CB-CB 3.82Å; P276-A327 HydrophobicContact CG-CB 3.63Å; P276-I328 HydrophobicContact CG-CG1 3.88Å
277	R	98.7	Very high	97.4	Very high	188 Å²	188	28.9 Å²	28.9	71%	0.709	12%	0.123	S	C	*	.	S	Bend	trans	-70.6	101.3	169.8	-70	-175.6	-178.6	-84.7	1.4	110.2	H270	H270-R277 HydrophobicContact CB-CG 4.34Å
278	S	98.7	Very high	96.7	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.028	13%	0.127	C	C	.	.			trans	-156.7	173.4	173.8	177.7	0	0	0	0	110.9	P131 T268 T269 P276 I328	P131-S278 PolarHBondContact O-OG 2.9Å; T268-S278 WeakPolarHBondContact CA-O 3.38Å; T269-S278 PolarHBondContact N-O 2.97Å; T269-S278 VanDerWaalsContact N-O 3.09Å; T269-S278 WeakPolarHBondContact OG1-CB 3.4Å; T269-S278 PolarHBondContact OG1-N 2.93Å; T269-S278 PolarHBondContact OG1-O 3.47Å; P276-S278 PolarHBondContact O-N 3.34Å; S278-I328 WeakPolarHBondContact OG-CD1 3.47Å
279	G	98.8	Very high	95.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	153.8	169.3	0	0	0	0	0	111.4	P131 S267	P131-G279 WeakPolarHBondContact CD-O 3.2Å; P131-G279 PolarHBondContact O-N 3.32Å; S267-G279 CarbonylContact O-C 3.5Å; S267-G279 VanDerWaalsContact O-CA 3.28Å; S267-G279 WeakPolarHBondContact O-CA 3.26Å
280	I	98.9	Very high	94.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	146.6	175.9	57.7	-177.5	0	0	0	109.4	L107 V127 N128 V129 S266 S267 T269 F282 I328	L107-I280 HydrophobicContact CD1-CD1 4.21Å; L107-I280 HydrophobicContact CD1-CG2 4Å; L107-I280 HydrophobicContact CD2-CD1 4.12Å; V127-I280 HydrophobicContact CG2-CB 4.45Å; N128-I280 WeakPolarHBondContact O-CA 3.48Å; V129-I280 HydrophobicContact CG1-CG2 4.4Å; S266-I280 WeakPolarHBondContact CA-O 3.5Å; S267-I280 PolarHBondContact N-O 3.13Å; S267-I280 PolarHBondContact O-N 3.38Å; T269-I280 HydrophobicContact CG2-CD1 4.16Å; T269-I280 HydrophobicContact CG2-CG1 4.36Å; T269-I280 HydrophobicContact CG2-CG2 3.77Å; I280-F282 HydrophobicContact CD1-CE2 3.44Å; I280-F282 VanDerWaalsContact CD1-CE2 3.44Å; I280-F282 HydrophobicContact CD1-CZ 3.79Å; I280-F282 HydrophobicContact CG1-CE2 3.84Å; I280-I328 HydrophobicContact CG2-CD1 4.3Å
281	I	99	Very high	92.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	112.6	178.4	-54.1	161.9	0	0	0	108.8	V127 N128 P131 A137 A140 V141 V264 I308 V312	V127-I281 CarbonylContact C-O 3.49Å; V127-I281 WeakPolarHBondContact CA-O 3.37Å; N128-I281 HydrophobicContact CB-CB 4.5Å; N128-I281 PolarHBondContact N-O 3.38Å; N128-I281 PolarHBondContact O-N 2.93Å; P131-I281 HydrophobicContact CG-CD1 3.68Å; P131-I281 HydrophobicContact CG-CG1 3.93Å; A137-I281 HydrophobicContact CB-CD1 4.23Å; A137-I281 HydrophobicContact CB-CG1 3.87Å; A137-I281 WeakPolarHBondContact O-CD1 3.29Å; A140-I281 HydrophobicContact CB-CD1 4.1Å; V141-I281 HydrophobicContact CG2-CB 4.5Å; V141-I281 HydrophobicContact CG2-CD1 4.03Å; V141-I281 HydrophobicContact CG2-CG1 4.1Å; V141-I281 HydrophobicContact CG2-CG2 3.55Å; V264-I281 HydrophobicContact CG1-CG2 3.77Å; I281-I308 HydrophobicContact CB-CG2 4.24Å; I281-I308 HydrophobicContact CD1-CG2 4.02Å; I281-I308 HydrophobicContact CG2-CD1 4.17Å; I281-I308 HydrophobicContact CG2-CG2 3.75Å; I281-V312 HydrophobicContact CD1-CG2 3.9Å
282	F	98.9	Very high	90.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	144.2	168.9	-57.6	-95.6	0	0	0	110.2	L107 L108 F111 L113 W125 G126 V127 M243 F259 V264 V265 I280	L107-F282 HydrophobicContact CB-CE1 4.02Å; L107-F282 HydrophobicContact CB-CZ 4.06Å; L107-F282 HydrophobicContact CD1-CZ 4.49Å; L107-F282 HydrophobicContact CD2-CZ 4.44Å; L108-F282 HydrophobicContact CD2-CD1 4.07Å; L108-F282 HydrophobicContact CD2-CE1 4.25Å; F111-F282 AromaticContact CD2-CE1 4Å; F111-F282 HydrophobicContact CD2-CE1 4Å; F111-F282 HydrophobicContact CD2-CE2 4.26Å; F111-F282 AromaticContact CD2-CZ 3.5Å; F111-F282 HydrophobicContact CD2-CZ 3.5Å; F111-F282 HydrophobicContact CE2-CE2 4.15Å; F111-F282 AromaticContact CE2-CZ 3.65Å; F111-F282 HydrophobicContact CE2-CZ 3.65Å; L113-F282 HydrophobicContact CD1-CD1 3.68Å; L113-F282 HydrophobicContact CD1-CE1 4.01Å; L113-F282 HydrophobicContact CD1-CG 4.43Å; W125-F282 HydrophobicContact CE3-CB 4.04Å; W125-F282 HydrophobicContact CZ3-CB 4.23Å; G126-F282 VanDerWaalsContact O-CA 3.3Å; G126-F282 WeakPolarHBondContact O-CA 3.3Å; V127-F282 HydrophobicContact CB-CD1 3.62Å; V127-F282 HydrophobicContact CB-CE1 3.81Å; V127-F282 HydrophobicContact CB-CG 4.31Å; V127-F282 HydrophobicContact CG1-CE1 4.5Å; V127-F282 HydrophobicContact CG2-CD1 3.62Å; V127-F282 HydrophobicContact CG2-CD2 4.35Å; V127-F282 HydrophobicContact CG2-CE1 3.56Å; V127-F282 HydrophobicContact CG2-CE2 4.31Å; V127-F282 HydrophobicContact CG2-CG 4.02Å; V127-F282 HydrophobicContact CG2-CZ 3.92Å; M243-F282 HydrophobicContact CE-CD2 4.25Å; M243-F282 HydrophobicContact CE-CE2 3.78Å; F259-F282 HydrophobicContact CE1-CB 3.63Å; F259-F282 AromaticContact CE1-CD1 3.99Å; F259-F282 HydrophobicContact CE1-CD1 3.99Å; F259-F282 AromaticContact CE1-CD2 3.89Å; F259-F282 HydrophobicContact CE1-CD2 3.89Å; F259-F282 AromaticContact CE1-CG 3.58Å; F259-F282 HydrophobicContact CE1-CG 3.58Å; F259-F282 HydrophobicContact CZ-CB 4.32Å; F259-F282 HydrophobicContact CZ-CD1 4.17Å; F259-F282 AromaticContact CZ-CD2 3.68Å; F259-F282 HydrophobicContact CZ-CD2 3.68Å; F259-F282 HydrophobicContact CZ-CE1 4.41Å; F259-F282 AromaticContact CZ-CE2 3.94Å; F259-F282 HydrophobicContact CZ-CE2 3.94Å; F259-F282 AromaticContact CZ-CG 3.81Å; F259-F282 HydrophobicContact CZ-CG 3.81Å; F259-F282 HydrophobicContact CZ-CZ 4.3Å; V264-F282 CarbonylContact C-O 3.41Å; V264-F282 WeakPolarHBondContact CA-O 3.44Å; V264-F282 VanDerWaalsContact CG1-O 3.29Å; V264-F282 WeakPolarHBondContact CG1-O 3.38Å; V265-F282 HydrophobicContact CB-CB 4.2Å; V265-F282 HydrophobicContact CB-CD2 4.37Å; V265-F282 PolarHBondContact N-O 2.95Å; V265-F282 PolarHBondContact O-N 3.01Å; I280-F282 HydrophobicContact CD1-CE2 3.44Å; I280-F282 VanDerWaalsContact CD1-CE2 3.44Å; I280-F282 HydrophobicContact CD1-CZ 3.79Å; I280-F282 HydrophobicContact CG1-CE2 3.84Å
283	Y	98.6	Very high	88.7	Confident	7 Å²	7	60.8 Å²	60.8	3%	0.027	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	144.4	177.9	45.7	-97.8	0	0	0	110.8	W125 G126 N128 K285 E305 I308 N309	W125-Y283 CarbonylContact C-O 3.51Å; W125-Y283 WeakPolarHBondContact CA-O 3.48Å; G126-Y283 PolarHBondContact N-O 2.75Å; G126-Y283 PolarHBondContact O-N 2.86Å; N128-Y283 HydrophobicContact CB-CE1 4.24Å; Y283-K285 HydrophobicContact CD2-CG 4.43Å; Y283-K285 HydrophobicContact CE2-CG 4.44Å; Y283-E305 HydrophobicContact CD2-CB 3.76Å; Y283-E305 HydrophobicContact CD2-CG 4.38Å; Y283-E305 HydrophobicContact CE2-CB 3.36Å; Y283-E305 HydrophobicContact CE2-CG 3.48Å; Y283-E305 VanDerWaalsContact CE2-CG 3.48Å; Y283-I308 HydrophobicContact CD1-CB 4.3Å; Y283-I308 HydrophobicContact CD1-CD1 3.98Å; Y283-I308 HydrophobicContact CD1-CG2 4.04Å; Y283-I308 HydrophobicContact CE1-CG2 4.27Å; Y283-I308 HydrophobicContact CG-CD1 4.13Å; Y283-N309 PolarHBondContact OH-ND2 2.97Å; Y283-N309 PolarHBondContact OH-OD1 2.75Å
284	R	96.9	Very high	87.4	Confident	17 Å²	17	62.9 Å²	62.9	6%	0.064	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	144.5	171.5	-71	-171.1	-179	-88.7	4.4	110.6	W125 F259 E260 A262 D263 V301 L304	W125-R284 HydrophobicContact CD2-CG 3.87Å; W125-R284 HydrophobicContact CE3-CG 3.96Å; W125-R284 HydrophobicContact CH2-CG 3.47Å; W125-R284 VanDerWaalsContact CH2-CG 3.47Å; W125-R284 HydrophobicContact CZ2-CG 3.4Å; W125-R284 VanDerWaalsContact CZ2-CG 3.4Å; W125-R284 VanDerWaalsContact CZ2-NE 3.28Å; W125-R284 HydrophobicContact CZ3-CG 3.75Å; F259-R284 PolarHBondContact O-NH2 3.15Å; E260-R284 PolarHBondContact O-NH2 3.31Å; E260-R284 VanDerWaalsContact O-NH2 3.14Å; A262-R284 PolarHBondContact O-NE 2.7Å; D263-R284 PolarHBondContact O-N 2.59Å; D263-R284 VanDerWaalsContact O-N 3.08Å; R284-V301 HydrophobicContact CB-CG1 3.55Å; R284-L304 HydrophobicContact CB-CD1 4.41Å
285	K	95.2	Very high	86.4	Confident	47 Å²	47	64.4 Å²	64.4	20%	0.204	32%	0.315	C	S	.	.	S	Bend	trans	-106	-21.9	169.6	-61.2	-172	175.5	-143.4	0	112.3	E124 Y283 E305	E124-K285 PolarHBondContact O-N 3.25Å; Y283-K285 HydrophobicContact CD2-CG 4.43Å; Y283-K285 HydrophobicContact CE2-CG 4.44Å; K285-E305 WeakPolarHBondContact CD-OE2 3.35Å; K285-E305 VanDerWaalsContact CE-CD 3.49Å; K285-E305 WeakPolarHBondContact CE-OE1 3.07Å; K285-E305 WeakPolarHBondContact CE-OE2 3.36Å; K285-E305 IonicContact NZ-OE1 3.54Å; K285-E305 PolarHBondContact NZ-OE1 2.82Å; K285-E305 IonicContact NZ-OE2 2.81Å; K285-E305 PolarHBondContact NZ-OE2 2.62Å
286	K	89.8	Confident	85.3	Confident	110 Å²	110	71 Å²	71	48%	0.478	35%	0.351	S	S	.	.	S	Bend	trans	-125.9	144.9	179.3	-59.4	-177.1	-170.1	167.2	0	110.6	E124 V301	E124-K286 HydrophobicContact CG-CD 4.25Å; K286-V301 WeakPolarHBondContact O-CG1 3.42Å
287	E	85.9	Confident	84.3	Confident	122 Å²	122	72.3 Å²	72.3	57%	0.57	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-60.6	145.4	175.6	-68	-150.1	119.2	0	0	111.5	K294 V301	E287-K294 IonicContact OE1-NZ 2.84Å; E287-K294 PolarHBondContact OE1-NZ 3.42Å; E287-V301 HydrophobicContact CG-CB 4.09Å; E287-V301 HydrophobicContact CG-CG2 4.04Å
288	R	84.1	Confident	83.5	Confident	29 Å²	29	66 Å²	66	11%	0.109	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-67.8	144.2	168.9	-70	-177.3	-64.7	-79.6	-14.4	109.8	Y261 A262 D263 M290	Y261-R288 VanDerWaalsContact O-CZ 3.32Å; Y261-R288 PolarHBondContact O-NH1 2.96Å; A262-R288 PolarHBondContact O-NH1 3Å; D263-R288 IonicContact OD1-CZ 2.89Å; D263-R288 IonicContact OD1-NH1 3.76Å; D263-R288 PolarHBondContact OD1-NH1 3.28Å; D263-R288 IonicContact OD1-NH2 3.8Å; D263-R288 PolarHBondContact OD1-NH2 3.44Å; R288-M290 PolarHBondContact O-N 3.26Å
289	P	75.1	Confident	83	Confident	135 Å²	135	66.1 Å²	66.1	88%	0.877	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-55.2	133.4	160.4	-20.9	32.5	0	0	0	109.8
290	M	68.4	Low	82.6	Confident	70 Å²	70	68.5 Å²	68.5	35%	0.345	36%	0.36	S	S	.	.			trans	-121.5	134.6	-178.5	-68.6	-81.8	-59	0	0	109.2	R288 K294	R288-M290 PolarHBondContact O-N 3.26Å; M290-K294 HydrophobicContact CE-CB 3.54Å; M290-K294 HydrophobicContact CE-CD 3.73Å; M290-K294 HydrophobicContact CE-CG 3.77Å; M290-K294 HydrophobicContact SD-CD 4.21Å
291	E	59.9	Low	82.3	Confident	195 Å²	195	69 Å²	69	91%	0.911	36%	0.363	S	S	*	.	S	Bend	trans	-77.2	-25.4	175	-67.9	-178.8	177.2	0	0	112.8
292	K	60.9	Low	81.9	Confident	165 Å²	165	74.5 Å²	74.5	72%	0.717	39%	0.392	S	S	*	.	S	Bend	trans	-135.1	152.6	-173.6	-67.3	-176.4	-177.9	178.1	0	111.5	K294	K292-K294 PolarHBondContact O-N 3.41Å
293	P	61.1	Low	81.8	Confident	137 Å²	137	77.8 Å²	77.8	89%	0.89	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-56.5	126.7	169.8	-16.7	28.7	0	0	0	109.6
294	K	71.1	Confident	81.7	Confident	45 Å²	45	77.6 Å²	77.6	20%	0.196	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-93.9	158.3	170.7	52.7	-179.6	179.5	-174.7	0	110.2	D233 E287 M290 K292 N296	D233-K294 HydrophobicContact CB-CB 4.29Å; E287-K294 IonicContact OE1-NZ 2.84Å; E287-K294 PolarHBondContact OE1-NZ 3.42Å; M290-K294 HydrophobicContact CE-CB 3.54Å; M290-K294 HydrophobicContact CE-CD 3.73Å; M290-K294 HydrophobicContact CE-CG 3.77Å; M290-K294 HydrophobicContact SD-CD 4.21Å; K292-K294 PolarHBondContact O-N 3.41Å; K294-N296 PolarHBondContact O-N 3Å
295	V	76.5	Confident	81.8	Confident	80 Å²	80	79.7 Å²	79.7	49%	0.485	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-58.9	130.7	154.4	178	0	0	0	0	106.5	D233 S234 C297	D233-V295 PolarHBondContact O-N 3.32Å; S234-V295 WeakPolarHBondContact O-CG2 3.49Å; V295-C297 PolarHBondContact O-N 3.41Å; V295-C297 VanDerWaalsContact O-N 3.12Å
296	N	76.1	Confident	81.9	Confident	139 Å²	139	81.4 Å²	81.4	74%	0.743	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-53.4	125.5	178.6	-77	-17	0	0	0	108.9	K294 S298	K294-N296 PolarHBondContact O-N 3Å; N296-S298 PolarHBondContact O-N 3.39Å
297	C	78.7	Confident	82.3	Confident	28 Å²	28	80.5 Å²	80.5	19%	0.189	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-59.4	137.4	177.2	-169	0	0	0	0	108.3	G236 V295 I299	G236-C297 WeakPolarHBondContact O-CA 3.34Å; V295-C297 PolarHBondContact O-N 3.41Å; V295-C297 VanDerWaalsContact O-N 3.12Å; C297-I299 PolarHBondContact O-N 3Å
298	S	80.2	Confident	82.9	Confident	57 Å²	57	74.7 Å²	74.7	40%	0.399	40%	0.399	S	S	.	.	S	Bend	trans	-57.3	-16.9	178.5	56	0	0	0	0	113.3	G236 N296	G236-S298 PolarHBondContact O-N 2.96Å; G236-S298 PolarHBondContact O-OG 3.37Å; N296-S298 PolarHBondContact O-N 3.39Å
299	I	88.6	Confident	83.6	Confident	6 Å²	6	74.3 Å²	74.3	3%	0.031	40%	0.399	C	S	.	.	S	Bend	trans	-134.3	115.8	179.3	-49.6	172.1	0	0	0	109.3	L145 V238 C297 L304	L145-I299 HydrophobicContact CB-CD1 3.45Å; L145-I299 VanDerWaalsContact CB-CD1 3.45Å; L145-I299 HydrophobicContact CD1-CD1 4.5Å; L145-I299 HydrophobicContact CD2-CD1 4.12Å; L145-I299 HydrophobicContact CD2-CG2 4.17Å; L145-I299 HydrophobicContact CG-CD1 4.2Å; L145-I299 WeakPolarHBondContact O-CD1 3.36Å; V238-I299 HydrophobicContact CG2-CB 4.1Å; V238-I299 HydrophobicContact CG2-CD1 3.88Å; V238-I299 HydrophobicContact CG2-CG1 4.26Å; C297-I299 PolarHBondContact O-N 3Å; I299-L304 HydrophobicContact CG2-CD2 4.04Å
300	P	90.5	Very high	84.7	Confident	50 Å²	50	72.2 Å²	72.2	33%	0.325	38%	0.38	S	S	.	.			trans	-61.5	144.2	175.9	-26.8	37.7	0	0	0	113	D302 Q303	P300-D302 VanDerWaalsContact C-N 3.33Å; P300-D302 WeakPolarHBondContact CB-OD1 3.49Å; P300-D302 PolarHBondContact O-N 2.63Å; P300-Q303 HydrophobicContact CB-CG 4.18Å; P300-Q303 PolarHBondContact O-N 2.99Å; P300-Q303 VanDerWaalsContact O-N 3.12Å
301	V	92.8	Very high	86.2	Confident	9 Å²	9	69.1 Å²	69.1	6%	0.055	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-63.9	-37.9	-175.5	173.3	0	0	0	0	112.3	R284 K286 E287 Q303 L304	R284-V301 HydrophobicContact CB-CG1 3.55Å; K286-V301 WeakPolarHBondContact O-CG1 3.42Å; E287-V301 HydrophobicContact CG-CB 4.09Å; E287-V301 HydrophobicContact CG-CG2 4.04Å; V301-Q303 PolarHBondContact O-N 3.16Å; V301-Q303 VanDerWaalsContact O-N 3.15Å; V301-L304 HydrophobicContact CG1-CD1 4.27Å; V301-L304 WeakPolarHBondContact O-CB 3.3Å; V301-L304 WeakPolarHBondContact O-CG 3.49Å; V301-L304 PolarHBondContact O-N 3.2Å; V301-L304 VanDerWaalsContact O-N 3.12Å
302	D	91.1	Very high	88	Confident	116 Å²	116	59.9 Å²	59.9	62%	0.62	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-64.6	-13.8	177.2	64.3	-36.8	0	0	0	113.4	P300	P300-D302 VanDerWaalsContact C-N 3.33Å; P300-D302 WeakPolarHBondContact CB-OD1 3.49Å; P300-D302 PolarHBondContact O-N 2.63Å
303	Q	95.9	Very high	89.8	Confident	70 Å²	70	52.7 Å²	52.7	33%	0.327	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-95	-12.6	175.9	-60.8	-177.5	17.8	0	0	113.7	P300 V301 E305 R307	P300-Q303 HydrophobicContact CB-CG 4.18Å; P300-Q303 PolarHBondContact O-N 2.99Å; P300-Q303 VanDerWaalsContact O-N 3.12Å; V301-Q303 PolarHBondContact O-N 3.16Å; V301-Q303 VanDerWaalsContact O-N 3.15Å; Q303-E305 PolarHBondContact O-N 2.79Å; Q303-R307 HydrophobicContact CB-CG 4.44Å; Q303-R307 VanDerWaalsContact O-CB 3.24Å; Q303-R307 WeakPolarHBondContact O-CB 3.12Å; Q303-R307 VanDerWaalsContact O-CG 3.24Å; Q303-R307 WeakPolarHBondContact O-CG 3.33Å; Q303-R307 PolarHBondContact O-N 3.31Å
304	L	97.7	Very high	91.6	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-61.2	-45	-174.2	-64.3	177.3	0	0	0	111.8	L145 D263 V264 R284 I299 V301 R307 I308	L145-L304 HydrophobicContact CD1-CD2 4.11Å; L145-L304 HydrophobicContact CD2-CD2 3.55Å; D263-L304 HydrophobicContact CB-CD1 4.28Å; V264-L304 HydrophobicContact CG2-CD1 4.2Å; V264-L304 HydrophobicContact CG2-CD2 4.29Å; R284-L304 HydrophobicContact CB-CD1 4.41Å; I299-L304 HydrophobicContact CG2-CD2 4.04Å; V301-L304 HydrophobicContact CG1-CD1 4.27Å; V301-L304 WeakPolarHBondContact O-CB 3.3Å; V301-L304 WeakPolarHBondContact O-CG 3.49Å; V301-L304 PolarHBondContact O-N 3.2Å; V301-L304 VanDerWaalsContact O-N 3.12Å; L304-R307 PolarHBondContact O-N 2.57Å; L304-I308 HydrophobicContact CB-CD1 4.37Å; L304-I308 VanDerWaalsContact O-CB 3.25Å; L304-I308 WeakPolarHBondContact O-CB 3.41Å; L304-I308 VanDerWaalsContact O-CG1 3.28Å; L304-I308 WeakPolarHBondContact O-CG1 3.44Å; L304-I308 PolarHBondContact O-N 3.36Å
305	E	97.9	Very high	92.9	Very high	61 Å²	61	50.4 Å²	50.4	29%	0.285	29%	0.29	S	S	.	.	H	α-helix	trans	-56.3	-58.2	179.2	175.8	160.8	-151.4	0	0	111.7	Y283 K285 Q303 R307 I308 N309	Y283-E305 HydrophobicContact CD2-CB 3.76Å; Y283-E305 HydrophobicContact CD2-CG 4.38Å; Y283-E305 HydrophobicContact CE2-CB 3.36Å; Y283-E305 HydrophobicContact CE2-CG 3.48Å; Y283-E305 VanDerWaalsContact CE2-CG 3.48Å; K285-E305 WeakPolarHBondContact CD-OE2 3.35Å; K285-E305 VanDerWaalsContact CE-CD 3.49Å; K285-E305 WeakPolarHBondContact CE-OE1 3.07Å; K285-E305 WeakPolarHBondContact CE-OE2 3.36Å; K285-E305 IonicContact NZ-OE1 3.54Å; K285-E305 PolarHBondContact NZ-OE1 2.82Å; K285-E305 IonicContact NZ-OE2 2.81Å; K285-E305 PolarHBondContact NZ-OE2 2.62Å; Q303-E305 PolarHBondContact O-N 2.79Å; E305-R307 PolarHBondContact O-N 2.82Å; E305-I308 PolarHBondContact O-N 2.75Å; E305-N309 VanDerWaalsContact O-CB 3.26Å; E305-N309 WeakPolarHBondContact O-CB 3.47Å; E305-N309 VanDerWaalsContact O-CG 3.29Å; E305-N309 PolarHBondContact O-N 3.13Å; E305-N309 PolarHBondContact O-ND2 3.07Å
306	T	97.8	Very high	94	Very high	84 Å²	84	50.3 Å²	50.3	52%	0.515	29%	0.287	S	S	.	.	H	α-helix	trans	-61	-44.3	-177.8	-56.2	0	0	0	0	111.4	N310	T306-N310 WeakPolarHBondContact O-CB 3.49Å; T306-N310 PolarHBondContact O-N 3.33Å; T306-N310 PolarHBondContact O-ND2 3.05Å
307	R	98.4	Very high	95	Very high	90 Å²	90	44.7 Å²	44.7	34%	0.34	26%	0.256	S	S	.	.	H	α-helix	trans	-64.8	-46.9	-179.2	-77.2	176.4	-179.7	-117.3	6.3	112.5	G144 L145 Q303 L304 E305 A311	G144-R307 WeakPolarHBondContact CA-O 3.26Å; G144-R307 WeakPolarHBondContact O-CB 3.41Å; L145-R307 HydrophobicContact CD2-CB 4.12Å; Q303-R307 HydrophobicContact CB-CG 4.44Å; Q303-R307 VanDerWaalsContact O-CB 3.24Å; Q303-R307 WeakPolarHBondContact O-CB 3.12Å; Q303-R307 VanDerWaalsContact O-CG 3.24Å; Q303-R307 WeakPolarHBondContact O-CG 3.33Å; Q303-R307 PolarHBondContact O-N 3.31Å; L304-R307 PolarHBondContact O-N 2.57Å; E305-R307 PolarHBondContact O-N 2.82Å; R307-A311 WeakPolarHBondContact O-CB 3.24Å; R307-A311 PolarHBondContact O-N 3.34Å
308	I	98.7	Very high	96	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-68.9	-46.7	-179.1	-71.8	166.6	0	0	0	110.5	L145 V264 I281 Y283 L304 E305 N310 A311 V312	L145-I308 HydrophobicContact CD2-CG1 4.27Å; L145-I308 HydrophobicContact CG-CG1 4.49Å; V264-I308 HydrophobicContact CG1-CD1 4.03Å; V264-I308 HydrophobicContact CG2-CD1 3.91Å; I281-I308 HydrophobicContact CB-CG2 4.24Å; I281-I308 HydrophobicContact CD1-CG2 4.02Å; I281-I308 HydrophobicContact CG2-CD1 4.17Å; I281-I308 HydrophobicContact CG2-CG2 3.75Å; Y283-I308 HydrophobicContact CD1-CB 4.3Å; Y283-I308 HydrophobicContact CD1-CD1 3.98Å; Y283-I308 HydrophobicContact CD1-CG2 4.04Å; Y283-I308 HydrophobicContact CE1-CG2 4.27Å; Y283-I308 HydrophobicContact CG-CD1 4.13Å; L304-I308 HydrophobicContact CB-CD1 4.37Å; L304-I308 VanDerWaalsContact O-CB 3.25Å; L304-I308 WeakPolarHBondContact O-CB 3.41Å; L304-I308 VanDerWaalsContact O-CG1 3.28Å; L304-I308 WeakPolarHBondContact O-CG1 3.44Å; L304-I308 PolarHBondContact O-N 3.36Å; E305-I308 PolarHBondContact O-N 2.75Å; I308-N310 PolarHBondContact O-N 3.19Å; I308-A311 PolarHBondContact O-N 3.09Å; I308-V312 WeakPolarHBondContact O-CG2 3.41Å; I308-V312 PolarHBondContact O-N 2.84Å
309	N	98.7	Very high	96.8	Very high	22 Å²	22	42.1 Å²	42.1	12%	0.118	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-44.9	179	-71.9	-19.3	0	0	0	110.9	Y84 N128 Y283 E305 A311 V312 F313	Y84-N309 HydrophobicContact CE2-CB 3.85Å; Y84-N309 VanDerWaalsContact OH-C 3.31Å; Y84-N309 VanDerWaalsContact OH-CA 3.31Å; Y84-N309 WeakPolarHBondContact OH-CA 3.42Å; Y84-N309 PolarHBondContact OH-O 3.42Å; N128-N309 PolarHBondContact ND2-OD1 3.06Å; Y283-N309 PolarHBondContact OH-ND2 2.97Å; Y283-N309 PolarHBondContact OH-OD1 2.75Å; E305-N309 VanDerWaalsContact O-CB 3.26Å; E305-N309 WeakPolarHBondContact O-CB 3.47Å; E305-N309 VanDerWaalsContact O-CG 3.29Å; E305-N309 PolarHBondContact O-N 3.13Å; E305-N309 PolarHBondContact O-ND2 3.07Å; N309-A311 VanDerWaalsContact C-N 3.3Å; N309-A311 PolarHBondContact O-N 3.19Å; N309-V312 PolarHBondContact O-N 2.78Å; N309-F313 CarbonylContact O-C 3.6Å; N309-F313 PolarHBondContact O-N 3.31Å
310	N	98.6	Very high	97.3	Very high	90 Å²	90	42.2 Å²	42.2	48%	0.481	24%	0.244	S	C	.	.	H	α-helix	trans	-64.8	-32.7	177.3	-72	-12	0	0	0	113	T306 I308 F313 G315	T306-N310 WeakPolarHBondContact O-CB 3.49Å; T306-N310 PolarHBondContact O-N 3.33Å; T306-N310 PolarHBondContact O-ND2 3.05Å; I308-N310 PolarHBondContact O-N 3.19Å; N310-F313 CarbonylContact C-O 3.59Å; N310-F313 VanDerWaalsContact CA-O 3.3Å; N310-F313 WeakPolarHBondContact CA-O 3.35Å; N310-F313 CarbonylContact O-C 3.24Å; N310-F313 VanDerWaalsContact O-C 3.24Å; N310-G315 WeakPolarHBondContact O-CA 3.46Å; N310-G315 PolarHBondContact O-N 3.14Å
311	A	98.8	Very high	97.6	Very high	6 Å²	6	44.2 Å²	44.2	5%	0.05	25%	0.249	C	C	.	.	I	π-helix	trans	-70.7	-39.5	176	0	0	0	0	0	112.5	A140 T143 R307 I308 N309 G315 L316	A140-A311 VanDerWaalsContact O-CB 3.25Å; A140-A311 WeakPolarHBondContact O-CB 3.48Å; T143-A311 HydrophobicContact CG2-CB 4.31Å; R307-A311 WeakPolarHBondContact O-CB 3.24Å; R307-A311 PolarHBondContact O-N 3.34Å; I308-A311 PolarHBondContact O-N 3.09Å; N309-A311 VanDerWaalsContact C-N 3.3Å; N309-A311 PolarHBondContact O-N 3.19Å; A311-G315 CarbonylContact O-C 3.57Å; A311-G315 WeakPolarHBondContact O-CA 3.43Å; A311-L316 WeakPolarHBondContact O-CB 3.32Å; A311-L316 WeakPolarHBondContact O-CD1 3.45Å; A311-L316 VanDerWaalsContact O-CG 3.28Å; A311-L316 WeakPolarHBondContact O-CG 3.4Å; A311-L316 PolarHBondContact O-N 3.47Å
312	V	98.9	Very high	97.9	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	25%	0.247	C	C	.	.	I	π-helix	trans	-63.2	-54.1	173.2	172.8	0	0	0	0	109.8	Q130 P131 A140 I281 I308 N309 L316 Q317	Q130-V312 HydrophobicContact CB-CG1 4.06Å; P131-V312 HydrophobicContact CG-CG2 4.31Å; A140-V312 HydrophobicContact CB-CG2 3.71Å; I281-V312 HydrophobicContact CD1-CG2 3.9Å; I308-V312 WeakPolarHBondContact O-CG2 3.41Å; I308-V312 PolarHBondContact O-N 2.84Å; N309-V312 PolarHBondContact O-N 2.78Å; V312-L316 PolarHBondContact O-N 3.23Å; V312-Q317 WeakPolarHBondContact O-CB 3.38Å; V312-Q317 PolarHBondContact O-N 3.49Å
313	F	98.8	Very high	98.3	Very high	14 Å²	14	39.4 Å²	39.4	6%	0.061	22%	0.223	C	C	.	.	I	π-helix	trans	-144.6	129.8	177	174.1	-84.5	0	0	0	109.3	E82 Y89 N309 N310 Q317	E82-F313 HydrophobicContact CB-CE2 3.81Å; E82-F313 HydrophobicContact CB-CZ 3.79Å; E82-F313 HydrophobicContact CG-CD2 4.49Å; E82-F313 HydrophobicContact CG-CE2 3.69Å; E82-F313 HydrophobicContact CG-CZ 4.18Å; Y89-F313 HydrophobicContact CD2-CE1 4.07Å; Y89-F313 HydrophobicContact CD2-CZ 4.04Å; Y89-F313 AromaticContact CE2-CE1 3.39Å; Y89-F313 HydrophobicContact CE2-CE1 3.39Å; Y89-F313 AromaticContact CE2-CZ 3.69Å; Y89-F313 HydrophobicContact CE2-CZ 3.69Å; Y89-F313 AromaticContact CZ-CE1 3.95Å; N309-F313 CarbonylContact O-C 3.6Å; N309-F313 PolarHBondContact O-N 3.31Å; N310-F313 CarbonylContact C-O 3.59Å; N310-F313 VanDerWaalsContact CA-O 3.3Å; N310-F313 WeakPolarHBondContact CA-O 3.35Å; N310-F313 CarbonylContact O-C 3.24Å; N310-F313 VanDerWaalsContact O-C 3.24Å; F313-Q317 VanDerWaalsContact CD2-O 3.31Å; F313-Q317 WeakPolarHBondContact CD2-O 3.46Å
314	P	98.4	Very high	98.4	Very high	83 Å²	83	36.8 Å²	36.8	54%	0.539	21%	0.212	S	C	.	.	I	π-helix	cis	-88.8	8.1	7.6	36.1	-37.3	0	0	0	114.3
315	G	98.3	Very high	98.5	Very high	50 Å²	50	36.8 Å²	36.8	52%	0.515	21%	0.212	S	C	.	.	I	π-helix	trans	-63.8	-45	-170	0	0	0	0	0	115.3	N310 A311	N310-G315 WeakPolarHBondContact O-CA 3.46Å; N310-G315 PolarHBondContact O-N 3.14Å; A311-G315 CarbonylContact O-C 3.57Å; A311-G315 WeakPolarHBondContact O-CA 3.43Å
316	L	98.5	Very high	98.5	Very high	78 Å²	78	34.4 Å²	34.4	41%	0.408	20%	0.202	S	C	.	.	I	π-helix	trans	-128.9	-28.2	-169.4	-67.1	169.1	0	0	0	114.7	F139 A140 T143 A311 V312	F139-L316 HydrophobicContact CD1-CD1 3.94Å; F139-L316 HydrophobicContact CD1-CD2 4.06Å; F139-L316 HydrophobicContact CE1-CD2 4.02Å; A140-L316 VanDerWaalsContact CA-CD1 3.46Å; A140-L316 HydrophobicContact CB-CD1 3.77Å; T143-L316 HydrophobicContact CG2-CD1 4.33Å; T143-L316 HydrophobicContact CG2-CG 4.44Å; A311-L316 WeakPolarHBondContact O-CB 3.32Å; A311-L316 WeakPolarHBondContact O-CD1 3.45Å; A311-L316 VanDerWaalsContact O-CG 3.28Å; A311-L316 WeakPolarHBondContact O-CG 3.4Å; A311-L316 PolarHBondContact O-N 3.47Å; V312-L316 PolarHBondContact O-N 3.23Å
317	Q	98.7	Very high	98.6	Very high	22 Å²	22	30.4 Å²	30.4	10%	0.103	18%	0.178	C	C	.	.			trans	-120.7	163.4	-177.2	-54.7	-169.6	159.7	0	0	111.3	Q130 Y132 V312 F313	Q130-Q317 PolarHBondContact O-NE2 2.62Å; Y132-Q317 HydrophobicContact CD2-CG 4.11Å; Y132-Q317 HydrophobicContact CE2-CB 3.91Å; Y132-Q317 HydrophobicContact CE2-CG 3.78Å; V312-Q317 WeakPolarHBondContact O-CB 3.38Å; V312-Q317 PolarHBondContact O-N 3.49Å; F313-Q317 VanDerWaalsContact CD2-O 3.31Å; F313-Q317 WeakPolarHBondContact CD2-O 3.46Å
318	G	98.2	Very high	98.6	Very high	22 Å²	22	26.1 Å²	26.1	23%	0.227	16%	0.162	C	C	.	.			trans	-105.5	-128.2	171.3	0	0	0	0	0	111.1
319	G	97.4	Very high	98.6	Very high	9 Å²	9	26.4 Å²	26.4	9%	0.093	16%	0.164	C	C	.	.	S	Bend	trans	-61.1	126.9	179.1	0	0	0	0	0	114.5	Y80 Y132	Y80-G319 PolarHBondContact OH-N 2.9Å; Y132-G319 PolarHBondContact OH-O 3.06Å
320	P	98.4	Very high	98.6	Very high	7 Å²	7	26.1 Å²	26.1	5%	0.045	16%	0.164	C	C	.	.			trans	-66.8	156.2	179.2	28.4	-36.1	0	0	0	113.2	S81 Q130 E322 I325	S81-P320 WeakPolarHBondContact OG-CG 3.29Å; Q130-P320 HydrophobicContact CB-CB 4.24Å; Q130-P320 HydrophobicContact CG-CB 3.95Å; P320-E322 VanDerWaalsContact CG-OE1 3.25Å; P320-E322 WeakPolarHBondContact CG-OE1 3.41Å; P320-E322 PolarHBondContact O-N 2.89Å; P320-I325 HydrophobicContact CB-CD1 3.94Å
321	H	98.7	Very high	98.6	Very high	93 Å²	93	21.9 Å²	21.9	43%	0.431	14%	0.142	S	C	.	.			trans	-88.5	86.9	179.6	-68.5	-169.4	0	0	0	111.1	Y132 N323 T324 I325	Y132-H321 AromaticContact CD1-CD2 3.91Å; Y132-H321 AromaticContact CD1-NE2 3.9Å; Y132-H321 AromaticContact CE1-CD2 3.52Å; Y132-H321 AromaticContact CE1-NE2 3.66Å; H321-N323 PolarHBondContact O-N 2.7Å; H321-T324 WeakPolarHBondContact O-CA 3.37Å; H321-T324 VanDerWaalsContact O-CB 3.27Å; H321-T324 WeakPolarHBondContact O-CB 3.08Å; H321-T324 PolarHBondContact O-N 2.97Å; H321-I325 PolarHBondContact O-N 2.95Å
322	E	98.6	Very high	98.6	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.009	14%	0.14	C	C	.	.	H	α-helix	trans	-64	-35.7	-169.5	-63.5	-58.9	168.3	0	0	115.2	L76 S81 I96 P320 T324 I325 A326	L76-E322 HydrophobicContact CB-CB 4.23Å; S81-E322 WeakPolarHBondContact CB-OE1 3.23Å; S81-E322 WeakPolarHBondContact OG-CG 3.4Å; S81-E322 PolarHBondContact OG-OE1 3.14Å; I96-E322 HydrophobicContact CD1-CB 4.05Å; I96-E322 HydrophobicContact CD1-CG 3.98Å; I96-E322 HydrophobicContact CG1-CG 4.48Å; I96-E322 HydrophobicContact CG2-CG 3.86Å; I96-E322 WeakPolarHBondContact CG2-OE1 3.34Å; I96-E322 WeakPolarHBondContact CG2-OE2 3.29Å; P320-E322 VanDerWaalsContact CG-OE1 3.25Å; P320-E322 WeakPolarHBondContact CG-OE1 3.41Å; P320-E322 PolarHBondContact O-N 2.89Å; E322-T324 PolarHBondContact O-N 3.22Å; E322-I325 PolarHBondContact O-N 3.3Å; E322-A326 PolarHBondContact O-N 3.41Å
323	N	98.7	Very high	98.6	Very high	22 Å²	22	26.2 Å²	26.2	12%	0.118	16%	0.16	C	C	.	.	H	α-helix	trans	-60	-35.6	171.4	62.3	-28.6	0	0	0	112.1	C71 L72 L76 H321 A327	C71-N323 WeakPolarHBondContact O-CB 3.25Å; L72-N323 PolarHBondContact O-ND2 3.31Å; L76-N323 HydrophobicContact CB-CB 3.99Å; H321-N323 PolarHBondContact O-N 2.7Å; N323-A327 WeakPolarHBondContact O-CB 3.33Å; N323-A327 PolarHBondContact O-N 3.02Å; N323-A327 VanDerWaalsContact O-N 3.08Å
324	T	98.8	Very high	98.5	Very high	15 Å²	15	27.2 Å²	27.2	9%	0.092	17%	0.165	C	C	.	.	H	α-helix	trans	-74.2	-39.2	176.9	-57.6	0	0	0	0	111.1	P276 H321 E322 A327 I328	P276-T324 HydrophobicContact CB-CG2 4.15Å; P276-T324 HydrophobicContact CG-CG2 4.13Å; H321-T324 WeakPolarHBondContact O-CA 3.37Å; H321-T324 VanDerWaalsContact O-CB 3.27Å; H321-T324 WeakPolarHBondContact O-CB 3.08Å; H321-T324 PolarHBondContact O-N 2.97Å; E322-T324 PolarHBondContact O-N 3.22Å; T324-A327 CarbonylContact O-C 3.59Å; T324-A327 WeakPolarHBondContact O-CB 3.44Å; T324-A327 PolarHBondContact O-N 3.05Å; T324-I328 WeakPolarHBondContact O-CG1 3.38Å; T324-I328 PolarHBondContact O-N 2.8Å
325	I	98.9	Very high	98.6	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-63.8	-41.1	174.5	-66.6	171.6	0	0	0	111	I99 E100 A103 V129 Q130 P320 H321 E322 A327 I328 A329	I99-I325 HydrophobicContact CG2-CG2 4.37Å; E100-I325 HydrophobicContact CB-CG2 4.1Å; E100-I325 HydrophobicContact CG-CD1 4.49Å; E100-I325 HydrophobicContact CG-CG2 4.17Å; A103-I325 HydrophobicContact CB-CG2 3.82Å; V129-I325 HydrophobicContact CG2-CD1 4.37Å; V129-I325 HydrophobicContact CG2-CG1 4.32Å; V129-I325 HydrophobicContact CG2-CG2 4.01Å; Q130-I325 HydrophobicContact CG-CD1 4.2Å; P320-I325 HydrophobicContact CB-CD1 3.94Å; H321-I325 PolarHBondContact O-N 2.95Å; E322-I325 PolarHBondContact O-N 3.3Å; I325-A327 VanDerWaalsContact C-N 3.34Å; I325-A327 PolarHBondContact O-N 3.14Å; I325-I328 WeakPolarHBondContact O-CB 3.16Å; I325-I328 PolarHBondContact O-N 3.39Å; I325-I328 VanDerWaalsContact O-N 3.13Å; I325-A329 PolarHBondContact O-N 3.09Å
326	A	98.9	Very high	98.5	Very high	11 Å²	11	24.3 Å²	24.3	9%	0.091	14%	0.139	C	C	.	.	H	α-helix	trans	-60.6	-42.8	171.6	0	0	0	0	0	112.2	C71 L76 I99 E322 I328 A329 A330	C71-A326 HydrophobicContact CB-CB 4.25Å; L76-A326 HydrophobicContact CD1-CB 3.32Å; I99-A326 HydrophobicContact CG2-CB 3.83Å; E322-A326 PolarHBondContact O-N 3.41Å; A326-I328 VanDerWaalsContact C-N 3.27Å; A326-I328 PolarHBondContact O-N 2.82Å; A326-A329 WeakPolarHBondContact O-CB 3.44Å; A326-A329 PolarHBondContact O-N 2.88Å; A326-A329 VanDerWaalsContact O-N 3.11Å; A326-A330 PolarHBondContact O-N 3.14Å
327	A	98.8	Very high	98.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.6	-31.5	174.4	0	0	0	0	0	112.6	I68 C71 L72 P276 N323 T324 I325 A330 M331	I68-A327 HydrophobicContact CG2-CB 4.21Å; C71-A327 HydrophobicContact CB-CB 3.71Å; L72-A327 HydrophobicContact CD2-CB 4.08Å; L72-A327 HydrophobicContact CG-CB 4.11Å; P276-A327 HydrophobicContact CB-CB 3.82Å; P276-A327 HydrophobicContact CG-CB 3.63Å; N323-A327 WeakPolarHBondContact O-CB 3.33Å; N323-A327 PolarHBondContact O-N 3.02Å; N323-A327 VanDerWaalsContact O-N 3.08Å; T324-A327 CarbonylContact O-C 3.59Å; T324-A327 WeakPolarHBondContact O-CB 3.44Å; T324-A327 PolarHBondContact O-N 3.05Å; I325-A327 VanDerWaalsContact C-N 3.34Å; I325-A327 PolarHBondContact O-N 3.14Å; A327-A330 PolarHBondContact O-N 3.26Å; A327-M331 WeakPolarHBondContact O-CB 3.31Å; A327-M331 PolarHBondContact O-N 3.33Å
328	I	98.9	Very high	98.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.9	-43.8	170.9	-68.8	169.4	0	0	0	110.6	A103 L107 V129 T269 P276 S278 I280 T324 I325 A326 A330 M331 A332	A103-I328 HydrophobicContact CB-CG2 4.41Å; L107-I328 HydrophobicContact CD1-CG2 3.79Å; L107-I328 HydrophobicContact CD2-CG2 4.4Å; L107-I328 HydrophobicContact CG-CG2 4.22Å; V129-I328 HydrophobicContact CB-CD1 4.5Å; T269-I328 HydrophobicContact CG2-CD1 4.34Å; T269-I328 HydrophobicContact CG2-CG1 4.16Å; P276-I328 HydrophobicContact CG-CG1 3.88Å; S278-I328 WeakPolarHBondContact OG-CD1 3.47Å; I280-I328 HydrophobicContact CG2-CD1 4.3Å; T324-I328 WeakPolarHBondContact O-CG1 3.38Å; T324-I328 PolarHBondContact O-N 2.8Å; I325-I328 WeakPolarHBondContact O-CB 3.16Å; I325-I328 PolarHBondContact O-N 3.39Å; I325-I328 VanDerWaalsContact O-N 3.13Å; A326-I328 VanDerWaalsContact C-N 3.27Å; A326-I328 PolarHBondContact O-N 2.82Å; I328-A330 VanDerWaalsContact C-N 3.32Å; I328-A330 PolarHBondContact O-N 3.39Å; I328-M331 HydrophobicContact CB-CE 4.1Å; I328-M331 HydrophobicContact CG1-CE 4.29Å; I328-M331 HydrophobicContact CG2-CE 3.72Å; I328-M331 WeakPolarHBondContact O-CE 3.4Å; I328-M331 PolarHBondContact O-N 3.43Å; I328-A332 WeakPolarHBondContact O-CB 3.31Å; I328-A332 PolarHBondContact O-N 2.63Å
329	A	98.8	Very high	98.4	Very high	5 Å²	5	32.6 Å²	32.6	4%	0.041	18%	0.176	C	C	.	.	H	α-helix	trans	-61.6	-40.2	175.5	0	0	0	0	0	111.9	A103 R106 I325 A326 F333	A103-A329 HydrophobicContact CB-CB 3.96Å; R106-A329 VanDerWaalsContact CD-O 3.23Å; R106-A329 WeakPolarHBondContact CD-O 3.35Å; R106-A329 VanDerWaalsContact NH1-C 3.35Å; R106-A329 PolarHBondContact NH1-O 3.17Å; I325-A329 PolarHBondContact O-N 3.09Å; A326-A329 WeakPolarHBondContact O-CB 3.44Å; A326-A329 PolarHBondContact O-N 2.88Å; A326-A329 VanDerWaalsContact O-N 3.11Å; A329-F333 PolarHBondContact O-N 3.49Å; A329-F333 VanDerWaalsContact O-N 3.11Å
330	A	98.7	Very high	98.5	Very high	16 Å²	16	32.4 Å²	32.4	13%	0.132	17%	0.173	C	C	.	.	H	α-helix	trans	-64.7	-49.6	176	0	0	0	0	0	111.7	A326 A327 I328 A332 F333 E334	A326-A330 PolarHBondContact O-N 3.14Å; A327-A330 PolarHBondContact O-N 3.26Å; I328-A330 VanDerWaalsContact C-N 3.32Å; I328-A330 PolarHBondContact O-N 3.39Å; A330-A332 PolarHBondContact O-N 2.81Å; A330-F333 WeakPolarHBondContact O-CB 3.17Å; A330-F333 PolarHBondContact O-N 2.96Å; A330-F333 VanDerWaalsContact O-N 3.15Å; A330-E334 PolarHBondContact O-N 2.87Å
331	M	98.7	Very high	98.5	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-53.7	-49.7	173.4	170.2	-152.7	43.5	0	0	111.6	I68 L107 T269 L273 G275 A327 I328 F333 E334 A335	I68-M331 HydrophobicContact CD1-CB 4.08Å; I68-M331 HydrophobicContact CG1-CB 4.47Å; L107-M331 HydrophobicContact CD2-CE 4.42Å; T269-M331 HydrophobicContact CG2-CE 3.77Å; T269-M331 HydrophobicContact CG2-SD 4.3Å; L273-M331 HydrophobicContact CB-SD 4.09Å; L273-M331 HydrophobicContact CD2-CE 3.94Å; L273-M331 HydrophobicContact CD2-SD 3.44Å; L273-M331 WeakPolarHBondContact CD2-SD 3.42Å; L273-M331 HydrophobicContact CG-CE 4.49Å; L273-M331 HydrophobicContact CG-CG 4.22Å; L273-M331 HydrophobicContact CG-SD 3.43Å; L273-M331 WeakPolarHBondContact CG-SD 3.43Å; L273-M331 WeakPolarHBondContact O-CG 3.36Å; G275-M331 WeakPolarHBondContact CA-SD 3.45Å; A327-M331 WeakPolarHBondContact O-CB 3.31Å; A327-M331 PolarHBondContact O-N 3.33Å; I328-M331 HydrophobicContact CB-CE 4.1Å; I328-M331 HydrophobicContact CG1-CE 4.29Å; I328-M331 HydrophobicContact CG2-CE 3.72Å; I328-M331 WeakPolarHBondContact O-CE 3.4Å; I328-M331 PolarHBondContact O-N 3.43Å; M331-F333 PolarHBondContact O-N 3.41Å; M331-E334 PolarHBondContact O-N 3.14Å; M331-E334 VanDerWaalsContact O-N 3.16Å; M331-A335 WeakPolarHBondContact O-CB 3.38Å; M331-A335 PolarHBondContact O-N 2.85Å
332	A	98.6	Very high	98.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.008	19%	0.188	C	C	.	.	H	α-helix	trans	-63.3	-33.8	-178.3	0	0	0	0	0	111.9	R106 L107 L110 I328 A330 S336	R106-A332 HydrophobicContact CB-CB 3.69Å; L107-A332 HydrophobicContact CD2-CB 4.11Å; L107-A332 HydrophobicContact CG-CB 4.42Å; L110-A332 HydrophobicContact CD2-CB 4.41Å; I328-A332 WeakPolarHBondContact O-CB 3.31Å; I328-A332 PolarHBondContact O-N 2.63Å; A330-A332 PolarHBondContact O-N 2.81Å; A332-S336 WeakPolarHBondContact O-CB 3.37Å; A332-S336 PolarHBondContact O-N 3.18Å; A332-S336 VanDerWaalsContact O-N 3.09Å
333	F	98.4	Very high	98.4	Very high	97 Å²	97	36.2 Å²	36.2	43%	0.425	19%	0.192	S	C	.	.	H	α-helix	trans	-66.4	-44.9	172.8	178.2	-95.5	0	0	0	112.2	A329 A330 M331 S336 K337	A329-F333 PolarHBondContact O-N 3.49Å; A329-F333 VanDerWaalsContact O-N 3.11Å; A330-F333 WeakPolarHBondContact O-CB 3.17Å; A330-F333 PolarHBondContact O-N 2.96Å; A330-F333 VanDerWaalsContact O-N 3.15Å; M331-F333 PolarHBondContact O-N 3.41Å; F333-S336 PolarHBondContact O-N 3.37Å; F333-S336 PolarHBondContact O-OG 3.34Å; F333-K337 VanDerWaalsContact CE1-CE 3.42Å; F333-K337 VanDerWaalsContact CE2-NZ 3.25Å; F333-K337 WeakPolarHBondContact O-CG 3.28Å
334	E	98.3	Very high	98.4	Very high	34 Å²	34	35.2 Å²	35.2	16%	0.159	19%	0.187	C	C	.	.	H	α-helix	trans	-61.6	-45.2	174.7	-69.8	175.5	-149.7	0	0	111.7	S65 S67 R274 A330 M331 S336 K337	S65-E334 WeakPolarHBondContact CB-OE1 3.28Å; S65-E334 WeakPolarHBondContact CB-OE2 2.91Å; S65-E334 VanDerWaalsContact OG-CD 3.25Å; S65-E334 PolarHBondContact OG-OE1 3.49Å; S65-E334 PolarHBondContact OG-OE2 3.1Å; S67-E334 PolarHBondContact OG-OE1 3.44Å; R274-E334 IonicContact NH2-OE2 3.17Å; A330-E334 PolarHBondContact O-N 2.87Å; M331-E334 PolarHBondContact O-N 3.14Å; M331-E334 VanDerWaalsContact O-N 3.16Å; E334-S336 PolarHBondContact O-N 3.27Å; E334-K337 WeakPolarHBondContact O-CB 3.42Å; E334-K337 WeakPolarHBondContact O-CG 3.43Å; E334-K337 PolarHBondContact O-N 2.96Å; E334-K337 VanDerWaalsContact O-N 3.11Å
335	A	98.4	Very high	98.4	Very high	6 Å²	6	39.6 Å²	39.6	5%	0.05	20%	0.202	C	C	.	.	H	α-helix	trans	-65.1	-22.1	179.8	0	0	0	0	0	113.3	L110 L273 M331 K337 F340	L110-A335 VanDerWaalsContact CD1-C 3.49Å; L110-A335 HydrophobicContact CD1-CB 3.84Å; L110-A335 WeakPolarHBondContact CD1-O 3.36Å; L110-A335 HydrophobicContact CD2-CB 3.77Å; L110-A335 HydrophobicContact CG-CB 4.48Å; L273-A335 HydrophobicContact CD1-CB 4.14Å; M331-A335 WeakPolarHBondContact O-CB 3.38Å; M331-A335 PolarHBondContact O-N 2.85Å; A335-K337 PolarHBondContact O-N 3.48Å; A335-F340 HydrophobicContact CB-CD1 3.94Å; A335-F340 HydrophobicContact CB-CD2 4.33Å; A335-F340 HydrophobicContact CB-CE1 3.95Å; A335-F340 HydrophobicContact CB-CE2 4.34Å; A335-F340 HydrophobicContact CB-CG 4.14Å; A335-F340 HydrophobicContact CB-CZ 4.17Å
336	S	97.5	Very high	98.4	Very high	67 Å²	67	40.9 Å²	40.9	47%	0.469	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-9.3	175.8	77.3	0	0	0	0	114.1	A332 F333 E334	A332-S336 WeakPolarHBondContact O-CB 3.37Å; A332-S336 PolarHBondContact O-N 3.18Å; A332-S336 VanDerWaalsContact O-N 3.09Å; F333-S336 PolarHBondContact O-N 3.37Å; F333-S336 PolarHBondContact O-OG 3.34Å; E334-S336 PolarHBondContact O-N 3.27Å
337	K	98.1	Very high	98.4	Very high	76 Å²	76	40.4 Å²	40.4	33%	0.33	20%	0.204	S	C	.	.	S	Bend	trans	-88.4	148.7	-173.9	-53.2	-55.3	-180	-173.4	0	112.3	F333 E334 A335 E339 F340	F333-K337 VanDerWaalsContact CE1-CE 3.42Å; F333-K337 VanDerWaalsContact CE2-NZ 3.25Å; F333-K337 WeakPolarHBondContact O-CG 3.28Å; E334-K337 WeakPolarHBondContact O-CB 3.42Å; E334-K337 WeakPolarHBondContact O-CG 3.43Å; E334-K337 PolarHBondContact O-N 2.96Å; E334-K337 VanDerWaalsContact O-N 3.11Å; A335-K337 PolarHBondContact O-N 3.48Å; K337-E339 WeakPolarHBondContact CB-OE2 3.26Å; K337-E339 PolarHBondContact O-N 2.67Å; K337-F340 WeakPolarHBondContact O-CB 3.27Å; K337-F340 PolarHBondContact O-N 3.11Å
338	P	97.9	Very high	98.4	Very high	87 Å²	87	41.5 Å²	41.5	57%	0.565	21%	0.21	S	C	*	.	H	α-helix	trans	-53.5	-36	177.6	-26.4	35.3	0	0	0	113.7	F340 Q341 D342	P338-F340 PolarHBondContact O-N 3.3Å; P338-Q341 WeakPolarHBondContact O-CA 3.27Å; P338-Q341 VanDerWaalsContact O-CB 3.27Å; P338-Q341 WeakPolarHBondContact O-CB 3.45Å; P338-Q341 PolarHBondContact O-N 3.32Å; P338-D342 PolarHBondContact O-N 3.4Å
339	E	97.6	Very high	98.4	Very high	132 Å²	132	42.8 Å²	42.8	62%	0.617	22%	0.22	S	C	*	.	H	α-helix	trans	-61.4	-31.6	179.1	-60.7	83.7	170.9	0	0	112.2	K337 Y343	K337-E339 WeakPolarHBondContact CB-OE2 3.26Å; K337-E339 PolarHBondContact O-N 2.67Å; E339-Y343 WeakPolarHBondContact O-CB 3.47Å; E339-Y343 PolarHBondContact O-N 3.36Å
340	F	98.3	Very high	98.4	Very high	5 Å²	5	42.6 Å²	42.6	2%	0.022	22%	0.218	C	C	.	.	H	α-helix	trans	-72.2	-33.6	174.8	-166.6	-92.3	0	0	0	111.7	S252 L273 R274 A335 K337 P338 Y343 A344	S252-F340 WeakPolarHBondContact OG-CD1 3.37Å; L273-F340 HydrophobicContact CD1-CZ 4.43Å; R274-F340 HydrophobicContact CB-CE2 4.33Å; A335-F340 HydrophobicContact CB-CD1 3.94Å; A335-F340 HydrophobicContact CB-CD2 4.33Å; A335-F340 HydrophobicContact CB-CE1 3.95Å; A335-F340 HydrophobicContact CB-CE2 4.34Å; A335-F340 HydrophobicContact CB-CG 4.14Å; A335-F340 HydrophobicContact CB-CZ 4.17Å; K337-F340 WeakPolarHBondContact O-CB 3.27Å; K337-F340 PolarHBondContact O-N 3.11Å; P338-F340 PolarHBondContact O-N 3.3Å; F340-Y343 HydrophobicContact CD2-CD1 4.14Å; F340-Y343 AromaticContact CE2-CD1 3.99Å; F340-Y343 HydrophobicContact CE2-CD1 3.99Å; F340-Y343 HydrophobicContact CE2-CE1 4.15Å; F340-Y343 HydrophobicContact CZ-CD1 4.22Å; F340-Y343 HydrophobicContact CZ-CE1 4.24Å; F340-Y343 WeakPolarHBondContact O-CB 3.42Å; F340-Y343 PolarHBondContact O-N 3.19Å; F340-A344 PolarHBondContact O-N 3.49Å
341	Q	98.1	Very high	98.4	Very high	64 Å²	64	41.8 Å²	41.8	30%	0.299	21%	0.212	S	C	.	.	H	α-helix	trans	-65.2	-42.8	173.4	-165	180	43.6	0	0	111.4	S252 P338 A344 R345	S252-Q341 WeakPolarHBondContact O-CG 3.46Å; S252-Q341 PolarHBondContact O-NE2 3.02Å; P338-Q341 WeakPolarHBondContact O-CA 3.27Å; P338-Q341 VanDerWaalsContact O-CB 3.27Å; P338-Q341 WeakPolarHBondContact O-CB 3.45Å; P338-Q341 PolarHBondContact O-N 3.32Å; Q341-A344 PolarHBondContact O-N 2.95Å; Q341-R345 WeakPolarHBondContact O-CG 3.03Å; Q341-R345 PolarHBondContact O-N 3.5Å
342	D	98.4	Very high	98.4	Very high	94 Å²	94	46.5 Å²	46.5	50%	0.503	23%	0.234	S	C	.	.	H	α-helix	trans	-64.9	-40.2	175	-69.4	-23.3	0	0	0	112	P338 A344 R345 Q346	P338-D342 PolarHBondContact O-N 3.4Å; D342-A344 PolarHBondContact O-N 3.16Å; D342-R345 PolarHBondContact O-N 3.22Å; D342-R345 IonicContact OD1-CZ 2.73Å; D342-R345 IonicContact OD1-NH1 3.64Å; D342-R345 PolarHBondContact OD1-NH1 3.34Å; D342-Q346 WeakPolarHBondContact O-CB 3.46Å; D342-Q346 PolarHBondContact O-N 2.93Å
343	Y	98.6	Very high	98.4	Very high	25 Å²	25	47 Å²	47	10%	0.098	24%	0.238	C	C	.	.	H	α-helix	trans	-55.2	-49.5	169.8	161.5	-102.8	0	0	0	111.8	N62 E339 F340 R345 Q346 V347 P429 T432 T433	N62-Y343 PolarHBondContact ND2-OH 3.37Å; E339-Y343 WeakPolarHBondContact O-CB 3.47Å; E339-Y343 PolarHBondContact O-N 3.36Å; F340-Y343 HydrophobicContact CD2-CD1 4.14Å; F340-Y343 AromaticContact CE2-CD1 3.99Å; F340-Y343 HydrophobicContact CE2-CD1 3.99Å; F340-Y343 HydrophobicContact CE2-CE1 4.15Å; F340-Y343 HydrophobicContact CZ-CD1 4.22Å; F340-Y343 HydrophobicContact CZ-CE1 4.24Å; F340-Y343 WeakPolarHBondContact O-CB 3.42Å; F340-Y343 PolarHBondContact O-N 3.19Å; Y343-R345 PolarHBondContact O-N 2.81Å; Y343-Q346 WeakPolarHBondContact O-CB 3.43Å; Y343-Q346 PolarHBondContact O-N 3.33Å; Y343-Q346 VanDerWaalsContact O-N 3.14Å; Y343-V347 HydrophobicContact CD1-CG2 4.48Å; Y343-V347 HydrophobicContact CD2-CG2 4.08Å; Y343-V347 HydrophobicContact CE1-CG2 4.01Å; Y343-V347 HydrophobicContact CE2-CG2 3.56Å; Y343-V347 WeakPolarHBondContact O-CG2 3.3Å; Y343-V347 PolarHBondContact O-N 3.3Å; Y343-P429 PolarHBondContact OH-O 3.44Å; Y343-T432 HydrophobicContact CD2-CG2 3.94Å; Y343-T432 HydrophobicContact CE2-CG2 3.93Å; Y343-T433 WeakPolarHBondContact CE2-OG1 3.21Å; Y343-T433 PolarHBondContact OH-OG1 3.36Å; Y343-T433 VanDerWaalsContact OH-OG1 3.12Å
344	A	98.6	Very high	98.5	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-64.3	-37.7	-178.8	0	0	0	0	0	112.8	L249 S252 V254 F340 Q341 D342 V347 L348	L249-A344 HydrophobicContact CD2-CB 4.12Å; S252-A344 VanDerWaalsContact CB-CB 3.42Å; S252-A344 WeakPolarHBondContact OG-CB 3.5Å; V254-A344 HydrophobicContact CG2-CB 4Å; F340-A344 PolarHBondContact O-N 3.49Å; Q341-A344 PolarHBondContact O-N 2.95Å; D342-A344 PolarHBondContact O-N 3.16Å; A344-V347 PolarHBondContact O-N 2.86Å; A344-L348 PolarHBondContact O-N 3.16Å
345	R	98.7	Very high	98.5	Very high	107 Å²	107	41 Å²	41	40%	0.404	21%	0.212	S	C	.	.	H	α-helix	trans	-61.5	-44.9	171.4	-68.8	179	-173.5	112.5	2.4	111.3	V254 Q341 D342 Y343 V347 L348 A349	V254-R345 HydrophobicContact CG1-CG 3.71Å; Q341-R345 WeakPolarHBondContact O-CG 3.03Å; Q341-R345 PolarHBondContact O-N 3.5Å; D342-R345 PolarHBondContact O-N 3.22Å; D342-R345 IonicContact OD1-CZ 2.73Å; D342-R345 IonicContact OD1-NH1 3.64Å; D342-R345 PolarHBondContact OD1-NH1 3.34Å; Y343-R345 PolarHBondContact O-N 2.81Å; R345-V347 VanDerWaalsContact C-N 3.33Å; R345-V347 PolarHBondContact O-N 3.21Å; R345-L348 PolarHBondContact O-N 2.92Å; R345-A349 PolarHBondContact O-N 3.33Å
346	Q	98.9	Very high	98.5	Very high	29 Å²	29	46 Å²	46	14%	0.136	24%	0.238	C	C	.	.	H	α-helix	trans	-63.2	-38.7	177.8	-170.1	70.4	61.5	0	0	112	D342 Y343 L348 A349 N350 T432 K437 E438	D342-Q346 WeakPolarHBondContact O-CB 3.46Å; D342-Q346 PolarHBondContact O-N 2.93Å; Y343-Q346 WeakPolarHBondContact O-CB 3.43Å; Y343-Q346 PolarHBondContact O-N 3.33Å; Y343-Q346 VanDerWaalsContact O-N 3.14Å; Q346-L348 VanDerWaalsContact C-N 3.29Å; Q346-L348 PolarHBondContact O-N 3.07Å; Q346-A349 PolarHBondContact O-N 2.99Å; Q346-N350 PolarHBondContact NE2-OD1 3.3Å; Q346-N350 WeakPolarHBondContact O-CB 3.49Å; Q346-N350 PolarHBondContact O-N 3.15Å; Q346-N350 PolarHBondContact O-ND2 3.37Å; Q346-T432 HydrophobicContact CB-CG2 3.88Å; Q346-T432 HydrophobicContact CG-CG2 3.65Å; Q346-K437 HydrophobicContact CG-CD 3.92Å; Q346-E438 PolarHBondContact NE2-OE1 2.85Å; Q346-E438 PolarHBondContact NE2-OE2 2.7Å
347	V	98.9	Very high	98.5	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-56.9	-44.4	176.2	166.3	0	0	0	0	110.8	L249 Y343 A344 R345 A351 H373 T428 P429 T432	L249-V347 HydrophobicContact CD2-CG1 4.27Å; Y343-V347 HydrophobicContact CD1-CG2 4.48Å; Y343-V347 HydrophobicContact CD2-CG2 4.08Å; Y343-V347 HydrophobicContact CE1-CG2 4.01Å; Y343-V347 HydrophobicContact CE2-CG2 3.56Å; Y343-V347 WeakPolarHBondContact O-CG2 3.3Å; Y343-V347 PolarHBondContact O-N 3.3Å; A344-V347 PolarHBondContact O-N 2.86Å; R345-V347 VanDerWaalsContact C-N 3.33Å; R345-V347 PolarHBondContact O-N 3.21Å; V347-A351 WeakPolarHBondContact O-CB 3.31Å; V347-A351 PolarHBondContact O-N 3.39Å; V347-H373 HydrophobicContact CG1-CB 3.41Å; V347-H373 VanDerWaalsContact CG1-CB 3.41Å; V347-T428 WeakPolarHBondContact CG1-OG1 3.46Å; V347-T428 PolarHBondContact O-OG1 3.39Å; V347-P429 HydrophobicContact CG1-CG 4.21Å; V347-T432 HydrophobicContact CG2-CG2 3.71Å
348	L	98.8	Very high	98.6	Very high	23 Å²	23	39.9 Å²	39.9	12%	0.12	21%	0.205	C	C	.	.	H	α-helix	trans	-69.1	-46.3	177.2	-67.3	178.1	0	0	0	112.2	L249 V254 V255 A344 R345 Q346 N350 A351 Q352	L249-L348 HydrophobicContact CD1-CD2 3.91Å; L249-L348 HydrophobicContact CD2-CD2 4.31Å; L249-L348 HydrophobicContact CD2-CG 4.19Å; V254-L348 HydrophobicContact CB-CD1 4.02Å; V254-L348 HydrophobicContact CG2-CD1 3.75Å; V255-L348 HydrophobicContact CG1-CD1 4.21Å; A344-L348 PolarHBondContact O-N 3.16Å; R345-L348 PolarHBondContact O-N 2.92Å; Q346-L348 VanDerWaalsContact C-N 3.29Å; Q346-L348 PolarHBondContact O-N 3.07Å; L348-N350 VanDerWaalsContact C-N 3.31Å; L348-N350 PolarHBondContact O-N 3.09Å; L348-A351 PolarHBondContact O-N 3.15Å; L348-A351 VanDerWaalsContact O-N 3.12Å; L348-Q352 WeakPolarHBondContact O-CG 3.39Å; L348-Q352 PolarHBondContact O-N 3.11Å
349	A	98.8	Very high	98.6	Very high	27 Å²	27	39 Å²	39	22%	0.223	20%	0.199	C	C	.	.	H	α-helix	trans	-58.7	-43.7	177.5	0	0	0	0	0	111.6	R345 Q346 A351 Q352 A353 E438	R345-A349 PolarHBondContact O-N 3.33Å; Q346-A349 PolarHBondContact O-N 2.99Å; A349-A351 PolarHBondContact O-N 3.44Å; A349-Q352 PolarHBondContact O-N 3.16Å; A349-A353 WeakPolarHBondContact O-CB 3.47Å; A349-A353 PolarHBondContact O-N 3.45Å; A349-E438 HydrophobicContact CB-CG 4.42Å
350	N	98.9	Very high	98.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.8	-39.8	175	-75.8	-9.3	0	0	0	112.4	Q346 L348 Q352 A353 L354 T428 T432 F436 K437 E438 F441	Q346-N350 PolarHBondContact NE2-OD1 3.3Å; Q346-N350 WeakPolarHBondContact O-CB 3.49Å; Q346-N350 PolarHBondContact O-N 3.15Å; Q346-N350 PolarHBondContact O-ND2 3.37Å; L348-N350 VanDerWaalsContact C-N 3.31Å; L348-N350 PolarHBondContact O-N 3.09Å; N350-Q352 VanDerWaalsContact C-N 3.35Å; N350-A353 PolarHBondContact O-N 2.96Å; N350-L354 WeakPolarHBondContact O-CB 3.46Å; N350-L354 PolarHBondContact O-N 3.42Å; N350-T428 HydrophobicContact CB-CG2 4.1Å; N350-T432 PolarHBondContact ND2-OG1 3.17Å; N350-F436 PolarHBondContact ND2-O 3.07Å; N350-K437 WeakPolarHBondContact OD1-CA 3.41Å; N350-E438 PolarHBondContact OD1-N 2.99Å; N350-E438 VanDerWaalsContact OD1-N 3.1Å; N350-F441 HydrophobicContact CB-CD2 3.46Å; N350-F441 VanDerWaalsContact CB-CD2 3.46Å; N350-F441 HydrophobicContact CB-CE2 3.53Å; N350-F441 HydrophobicContact CB-CG 4.13Å; N350-F441 HydrophobicContact CB-CZ 4.25Å; N350-F441 VanDerWaalsContact CG-CD2 3.41Å; N350-F441 VanDerWaalsContact ND2-CE2 3.29Å; N350-F441 WeakPolarHBondContact ND2-CE2 3.36Å
351	A	98.8	Very high	98.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.8	-39.9	177.6	0	0	0	0	0	111.4	V347 L348 A349 A355 T370 V372 T428	V347-A351 WeakPolarHBondContact O-CB 3.31Å; V347-A351 PolarHBondContact O-N 3.39Å; L348-A351 PolarHBondContact O-N 3.15Å; L348-A351 VanDerWaalsContact O-N 3.12Å; A349-A351 PolarHBondContact O-N 3.44Å; A351-A355 WeakPolarHBondContact O-CB 3.37Å; A351-A355 PolarHBondContact O-N 3.16Å; A351-T370 HydrophobicContact CB-CG2 4.03Å; A351-V372 WeakPolarHBondContact CB-O 3.5Å; A351-T428 VanDerWaalsContact CA-CG2 3.48Å; A351-T428 HydrophobicContact CB-CG2 3.83Å
352	Q	98.7	Very high	98.6	Very high	100 Å²	100	38.2 Å²	38.2	47%	0.467	21%	0.214	S	C	.	.	H	α-helix	trans	-66.8	-43.2	174.3	-68.6	171	0.7	0	0	111.9	L348 A349 N350 A355 N356	L348-Q352 WeakPolarHBondContact O-CG 3.39Å; L348-Q352 PolarHBondContact O-N 3.11Å; A349-Q352 PolarHBondContact O-N 3.16Å; N350-Q352 VanDerWaalsContact C-N 3.35Å; Q352-A355 PolarHBondContact O-N 3.33Å; Q352-N356 WeakPolarHBondContact O-CB 3.05Å; Q352-N356 PolarHBondContact O-N 3.4Å; Q352-N356 PolarHBondContact O-ND2 2.93Å
353	A	98.7	Very high	98.6	Very high	13 Å²	13	33.9 Å²	33.9	11%	0.107	19%	0.19	C	C	.	.	H	α-helix	trans	-60.4	-46.7	176.1	0	0	0	0	0	111.9	A349 N350 A355 N356 A357 E438	A349-A353 WeakPolarHBondContact O-CB 3.47Å; A349-A353 PolarHBondContact O-N 3.45Å; N350-A353 PolarHBondContact O-N 2.96Å; A353-A355 VanDerWaalsContact C-N 3.35Å; A353-A355 PolarHBondContact O-N 3.41Å; A353-N356 PolarHBondContact O-N 2.8Å; A353-A357 WeakPolarHBondContact O-CB 3.19Å; A353-A357 PolarHBondContact O-N 2.92Å; A353-E438 HydrophobicContact CB-CB 3.69Å; A353-E438 HydrophobicContact CB-CG 3.87Å
354	L	98.7	Very high	98.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.7	-42.4	175.2	179.6	59.4	0	0	0	111.8	N350 A357 L358 I375 I426 T428 F441 A445 I448	N350-L354 WeakPolarHBondContact O-CB 3.46Å; N350-L354 PolarHBondContact O-N 3.42Å; L354-A357 PolarHBondContact O-N 3.49Å; L354-L358 HydrophobicContact CD1-CD1 3.88Å; L354-L358 HydrophobicContact CD1-CG 4.15Å; L354-L358 HydrophobicContact CG-CD1 3.99Å; L354-L358 WeakPolarHBondContact O-CB 3.49Å; L354-L358 VanDerWaalsContact O-CG 3.31Å; L354-L358 WeakPolarHBondContact O-CG 3.4Å; L354-L358 PolarHBondContact O-N 3.06Å; L354-I375 HydrophobicContact CB-CD1 3.79Å; L354-I375 HydrophobicContact CD2-CD1 3.72Å; L354-I375 HydrophobicContact CG-CD1 3.52Å; L354-I426 HydrophobicContact CD2-CD1 3.88Å; L354-I426 HydrophobicContact CD2-CG1 4.24Å; L354-I426 HydrophobicContact CG-CD1 4.36Å; L354-T428 HydrophobicContact CD2-CG2 4.27Å; L354-F441 HydrophobicContact CB-CB 4.25Å; L354-F441 HydrophobicContact CB-CD1 4Å; L354-F441 HydrophobicContact CB-CG 4.47Å; L354-F441 HydrophobicContact CD1-CD1 4.35Å; L354-F441 HydrophobicContact CD2-CD1 3.87Å; L354-F441 HydrophobicContact CD2-CE1 4.17Å; L354-F441 HydrophobicContact CG-CD1 4.29Å; L354-A445 HydrophobicContact CD1-CB 3.91Å; L354-I448 HydrophobicContact CD1-CD1 4.3Å
355	A	98.7	Very high	98.5	Very high	3 Å²	3	36.9 Å²	36.9	3%	0.025	20%	0.202	C	C	.	.	H	α-helix	trans	-62.5	-45.9	177.9	0	0	0	0	0	111.7	A351 Q352 A353 T359 L365 T370 I375	A351-A355 WeakPolarHBondContact O-CB 3.37Å; A351-A355 PolarHBondContact O-N 3.16Å; Q352-A355 PolarHBondContact O-N 3.33Å; A353-A355 VanDerWaalsContact C-N 3.35Å; A353-A355 PolarHBondContact O-N 3.41Å; A355-T359 WeakPolarHBondContact O-CB 3.31Å; A355-T359 PolarHBondContact O-N 3.48Å; A355-T359 PolarHBondContact O-OG1 3.19Å; A355-L365 HydrophobicContact CB-CD1 3.61Å; A355-T370 HydrophobicContact CB-CG2 4.34Å; A355-I375 HydrophobicContact CB-CD1 3.73Å; A355-I375 HydrophobicContact CB-CG1 4.03Å; A355-I375 VanDerWaalsContact N-CD1 3.34Å
356	N	98.6	Very high	98.4	Very high	112 Å²	112	32 Å²	32	60%	0.599	18%	0.184	S	C	*	.	H	α-helix	trans	-64.2	-45.4	178.5	-68.5	-19.6	0	0	0	111.4	Q352 A353 T359 S360	Q352-N356 WeakPolarHBondContact O-CB 3.05Å; Q352-N356 PolarHBondContact O-N 3.4Å; Q352-N356 PolarHBondContact O-ND2 2.93Å; A353-N356 PolarHBondContact O-N 2.8Å; N356-T359 PolarHBondContact O-N 2.88Å; N356-S360 PolarHBondContact O-N 3.45Å
357	A	98.7	Very high	98.3	Very high	14 Å²	14	31.7 Å²	31.7	12%	0.116	18%	0.184	C	C	.	.	H	α-helix	trans	-60.4	-47.8	178.3	0	0	0	0	0	111.6	A353 L354 T359 S360 L361 E442 A445	A353-A357 WeakPolarHBondContact O-CB 3.19Å; A353-A357 PolarHBondContact O-N 2.92Å; L354-A357 PolarHBondContact O-N 3.49Å; A357-T359 PolarHBondContact O-N 2.88Å; A357-S360 PolarHBondContact O-N 2.93Å; A357-S360 PolarHBondContact O-OG 2.81Å; A357-L361 WeakPolarHBondContact O-CG 3.21Å; A357-L361 PolarHBondContact O-N 3.22Å; A357-E442 HydrophobicContact CB-CB 4.5Å; A357-E442 HydrophobicContact CB-CG 4.23Å; A357-A445 HydrophobicContact CB-CB 3.55Å
358	L	98.6	Very high	98.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.2	-41.1	177.2	-71.8	170	0	0	0	112.5	L354 S360 L361 G362 I363 L365 I375 I377 I426 A445 I448	L354-L358 HydrophobicContact CD1-CD1 3.88Å; L354-L358 HydrophobicContact CD1-CG 4.15Å; L354-L358 HydrophobicContact CG-CD1 3.99Å; L354-L358 WeakPolarHBondContact O-CB 3.49Å; L354-L358 VanDerWaalsContact O-CG 3.31Å; L354-L358 WeakPolarHBondContact O-CG 3.4Å; L354-L358 PolarHBondContact O-N 3.06Å; L358-S360 VanDerWaalsContact C-N 3.29Å; L358-S360 PolarHBondContact O-N 3.44Å; L358-L361 PolarHBondContact O-N 3.08Å; L358-L361 VanDerWaalsContact O-N 3.11Å; L358-G362 PolarHBondContact O-N 3.06Å; L358-I363 HydrophobicContact CB-CB 4.15Å; L358-I363 HydrophobicContact CD2-CG1 4.33Å; L358-I363 VanDerWaalsContact O-CB 3.27Å; L358-I363 WeakPolarHBondContact O-CB 3.45Å; L358-I363 PolarHBondContact O-N 3.44Å; L358-L365 HydrophobicContact CB-CD2 4.42Å; L358-I375 HydrophobicContact CD1-CD1 4.45Å; L358-I377 HydrophobicContact CD1-CD1 3.95Å; L358-I377 HydrophobicContact CD1-CG1 4.44Å; L358-I426 HydrophobicContact CD1-CD1 3.65Å; L358-A445 HydrophobicContact CD2-CB 4.05Å; L358-A445 HydrophobicContact CG-CB 4.1Å; L358-I448 HydrophobicContact CD2-CB 4.35Å; L358-I448 HydrophobicContact CD2-CG2 4.07Å
359	T	98.4	Very high	98.1	Very high	70 Å²	70	34 Å²	34	43%	0.429	21%	0.213	S	C	.	.	H	α-helix	trans	-61.7	-39.9	176.7	-57.7	0	0	0	0	111.1	A355 N356 A357 L361 G362 L365	A355-T359 WeakPolarHBondContact O-CB 3.31Å; A355-T359 PolarHBondContact O-N 3.48Å; A355-T359 PolarHBondContact O-OG1 3.19Å; N356-T359 PolarHBondContact O-N 2.88Å; A357-T359 PolarHBondContact O-N 2.88Å; T359-L361 PolarHBondContact O-N 3.32Å; T359-G362 PolarHBondContact O-N 2.58Å; T359-L365 WeakPolarHBondContact OG1-CD1 3.27Å
360	S	98.2	Very high	98	Very high	100 Å²	100	33.1 Å²	33.1	70%	0.699	21%	0.205	S	C	*	.	H	α-helix	trans	-63.5	-25	176.7	79.6	0	0	0	0	113.5	N356 A357 L358 G362	N356-S360 PolarHBondContact O-N 3.45Å; A357-S360 PolarHBondContact O-N 2.93Å; A357-S360 PolarHBondContact O-OG 2.81Å; L358-S360 VanDerWaalsContact C-N 3.29Å; L358-S360 PolarHBondContact O-N 3.44Å; S360-G362 PolarHBondContact O-N 2.88Å
361	L	98.1	Very high	98	Very high	63 Å²	63	36.1 Å²	36.1	33%	0.33	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	7.5	174.9	-61.9	166	0	0	0	112.3	A357 L358 T359 I363 D449	A357-L361 WeakPolarHBondContact O-CG 3.21Å; A357-L361 PolarHBondContact O-N 3.22Å; L358-L361 PolarHBondContact O-N 3.08Å; L358-L361 VanDerWaalsContact O-N 3.11Å; T359-L361 PolarHBondContact O-N 3.32Å; L361-I363 VanDerWaalsContact C-N 3.33Å; L361-I363 HydrophobicContact CB-CG1 4.34Å; L361-D449 HydrophobicContact CD1-CB 3.88Å
362	G	98.2	Very high	98	Very high	21 Å²	21	36.2 Å²	36.2	22%	0.216	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	22.4	-178.8	0	0	0	0	0	113.5	L358 T359 S360 S382 P383 G384	L358-G362 PolarHBondContact O-N 3.06Å; T359-G362 PolarHBondContact O-N 2.58Å; S360-G362 PolarHBondContact O-N 2.88Å; G362-S382 CarbonylContact O-C 3.46Å; G362-P383 WeakPolarHBondContact O-CD 3.49Å; G362-P383 WeakPolarHBondContact O-CG 3.47Å; G362-P383 VanDerWaalsContact O-N 3.15Å; G362-G384 PolarHBondContact O-N 3.48Å
363	I	98.3	Very high	98	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-86.5	124.7	173.9	-54.1	-55.6	0	0	0	109.1	L358 L361 L365 I377 K385 L452	L358-I363 HydrophobicContact CB-CB 4.15Å; L358-I363 HydrophobicContact CD2-CG1 4.33Å; L358-I363 VanDerWaalsContact O-CB 3.27Å; L358-I363 WeakPolarHBondContact O-CB 3.45Å; L358-I363 PolarHBondContact O-N 3.44Å; L361-I363 VanDerWaalsContact C-N 3.33Å; L361-I363 HydrophobicContact CB-CG1 4.34Å; I363-L365 HydrophobicContact CG2-CD2 4.46Å; I363-I377 HydrophobicContact CG2-CB 4.39Å; I363-I377 HydrophobicContact CG2-CD1 4.28Å; I363-I377 HydrophobicContact CG2-CG1 4.13Å; I363-I377 HydrophobicContact CG2-CG2 3.45Å; I363-I377 VanDerWaalsContact CG2-CG2 3.45Å; I363-K385 HydrophobicContact CD1-CG 3.58Å; I363-L452 HydrophobicContact CD1-CD1 3.59Å; I363-L452 HydrophobicContact CG1-CD1 4.32Å
364	R	97.7	Very high	98	Very high	84 Å²	84	30.8 Å²	30.8	32%	0.317	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-78.9	131.2	180	178.7	-166.3	168.9	90.8	1	110.3	E193 D378 K381 S382	E193-R364 IonicContact OE1-CZ 3.26Å; E193-R364 IonicContact OE1-NH2 3.5Å; E193-R364 PolarHBondContact OE1-NH2 3.17Å; E193-R364 IonicContact OE2-NH2 2.75Å; E193-R364 PolarHBondContact OE2-NH2 3.36Å; R364-D378 HydrophobicContact CG-CB 4.44Å; R364-D378 IonicContact NE-OD2 2.68Å; R364-D378 PolarHBondContact O-N 3.22Å; R364-K381 WeakPolarHBondContact CB-O 3.44Å; R364-S382 PolarHBondContact N-OG 3.37Å
365	L	97.8	Very high	97.9	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.031	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-103.7	136.6	172.3	-48.2	-173.8	0	0	0	110.2	A355 L358 T359 I363 G368 I375 L376 I377	A355-L365 HydrophobicContact CB-CD1 3.61Å; L358-L365 HydrophobicContact CB-CD2 4.42Å; T359-L365 WeakPolarHBondContact OG1-CD1 3.27Å; I363-L365 HydrophobicContact CG2-CD2 4.46Å; L365-G368 WeakPolarHBondContact O-CA 3.5Å; L365-G368 PolarHBondContact O-N 2.88Å; L365-I375 HydrophobicContact CB-CG2 4.25Å; L365-I375 HydrophobicContact CD1-CG2 3.77Å; L365-I375 HydrophobicContact CD2-CG2 3.49Å; L365-I375 VanDerWaalsContact CD2-CG2 3.49Å; L365-I375 HydrophobicContact CG-CG2 4.02Å; L365-L376 CarbonylContact C-O 3.55Å; L365-L376 WeakPolarHBondContact CA-O 3.42Å; L365-I377 HydrophobicContact CD2-CG1 3.91Å
366	V	96.5	Very high	97.9	Very high	5 Å²	5	31 Å²	31	3%	0.03	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-63	134.9	171.5	177.6	0	0	0	0	108.6	E193 G368 L376 D378 V412	E193-V366 HydrophobicContact CB-CG1 3.95Å; E193-V366 HydrophobicContact CG-CG1 4.37Å; E193-V366 WeakPolarHBondContact OE2-CA 3.48Å; V366-G368 PolarHBondContact O-N 2.61Å; V366-G368 VanDerWaalsContact O-N 3.16Å; V366-L376 HydrophobicContact CB-CB 4.07Å; V366-L376 HydrophobicContact CB-CD2 3.92Å; V366-L376 HydrophobicContact CB-CG 3.98Å; V366-L376 HydrophobicContact CG1-CD2 4.03Å; V366-L376 HydrophobicContact CG2-CB 4.27Å; V366-L376 HydrophobicContact CG2-CD2 3.79Å; V366-L376 HydrophobicContact CG2-CG 3.69Å; V366-L376 PolarHBondContact N-O 3.09Å; V366-D378 HydrophobicContact CG2-CB 4.14Å; V366-V412 HydrophobicContact CG2-CB 4.35Å; V366-V412 HydrophobicContact CG2-CG1 3.82Å
367	T	96.4	Very high	97.9	Very high	22 Å²	22	25.7 Å²	25.7	14%	0.135	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	62.1	4.3	-168.8	79	0	0	0	0	115.4	E193 L194 P220 R221 G369	E193-T367 HydrophobicContact CB-CG2 4.09Å; E193-T367 WeakPolarHBondContact O-CG2 3.46Å; E193-T367 PolarHBondContact OE2-N 3.09Å; L194-T367 HydrophobicContact CD2-CG2 3.95Å; P220-T367 HydrophobicContact CG-CG2 4.22Å; R221-T367 HydrophobicContact CG-CG2 3.99Å; R221-T367 PolarHBondContact NE-OG1 3.01Å; R221-T367 PolarHBondContact NH2-O 2.89Å; T367-G369 VanDerWaalsContact C-N 3.31Å; T367-G369 PolarHBondContact O-N 2.88Å; T367-G369 PolarHBondContact OG1-O 3.02Å
368	G	95.8	Very high	97.8	Very high	60 Å²	60	25.1 Å²	25.1	62%	0.619	16%	0.161	S	C	*	.	G	3₁₀ helix	trans	75.6	4.6	177.8	0	0	0	0	0	116.5	L365 V366	L365-G368 WeakPolarHBondContact O-CA 3.5Å; L365-G368 PolarHBondContact O-N 2.88Å; V366-G368 PolarHBondContact O-N 2.61Å; V366-G368 VanDerWaalsContact O-N 3.16Å
369	G	96.7	Very high	97.7	Very high	11 Å²	11	25.1 Å²	25.1	11%	0.113	16%	0.161	C	C	.	.	S	Bend	trans	175.1	-159.4	-178.4	0	0	0	0	0	112.8	T367	T367-G369 VanDerWaalsContact C-N 3.31Å; T367-G369 PolarHBondContact O-N 2.88Å; T367-G369 PolarHBondContact OG1-O 3.02Å
370	T	98.5	Very high	97.5	Very high	9 Å²	9	23.2 Å²	23.2	6%	0.055	15%	0.151	C	C	.	.			trans	-148.9	144	176.4	-172.4	0	0	0	0	113.2	P220 A351 A355 V372 F374 I375	P220-T370 VanDerWaalsContact O-CA 3.26Å; P220-T370 WeakPolarHBondContact O-CA 3.4Å; P220-T370 PolarHBondContact O-OG1 2.8Å; A351-T370 HydrophobicContact CB-CG2 4.03Å; A355-T370 HydrophobicContact CB-CG2 4.34Å; T370-V372 WeakPolarHBondContact OG1-CG2 3.48Å; T370-V372 PolarHBondContact OG1-N 2.8Å; T370-V372 VanDerWaalsContact OG1-N 3.13Å; T370-V372 PolarHBondContact OG1-O 2.66Å; T370-F374 VanDerWaalsContact CB-O 3.27Å; T370-F374 WeakPolarHBondContact CB-O 3.21Å; T370-F374 PolarHBondContact OG1-O 2.95Å; T370-I375 HydrophobicContact CG2-CG1 3.94Å
371	D	98	Very high	97.3	Very high	64 Å²	64	22.8 Å²	22.8	34%	0.342	14%	0.136	S	C	.	.	S	Bend	trans	-112.2	7.2	170.1	-52.4	-47.3	0	0	0	111.9	P220 R221 L222	P220-D371 PolarHBondContact O-N 2.81Å; R221-D371 WeakPolarHBondContact CD-OD2 3.39Å; R221-D371 IonicContact CZ-OD2 3.94Å; R221-D371 IonicContact NE-OD2 3.36Å; R221-D371 VanDerWaalsContact NH1-CG 3.26Å; R221-D371 IonicContact NH1-OD1 3.81Å; R221-D371 PolarHBondContact NH1-OD1 3.33Å; R221-D371 VanDerWaalsContact NH1-OD1 3.09Å; R221-D371 IonicContact NH1-OD2 2.82Å; R221-D371 PolarHBondContact NH1-OD2 2.99Å; L222-D371 HydrophobicContact CD1-CB 4.11Å; L222-D371 HydrophobicContact CG-CB 3.85Å
372	V	98.2	Very high	97.3	Very high	1 Å²	1	20 Å²	20	1%	0.006	12%	0.122	C	C	.	.	S	Bend	trans	-130.1	-172	-175.8	-60.4	0	0	0	0	110.6	L222 I246 A351 T370 F374	L222-V372 HydrophobicContact CD2-CG1 3.89Å; L222-V372 HydrophobicContact CG-CG1 4.45Å; I246-V372 HydrophobicContact CG2-CG1 4.26Å; A351-V372 WeakPolarHBondContact CB-O 3.5Å; T370-V372 WeakPolarHBondContact OG1-CG2 3.48Å; T370-V372 PolarHBondContact OG1-N 2.8Å; T370-V372 VanDerWaalsContact OG1-N 3.13Å; T370-V372 PolarHBondContact OG1-O 2.66Å; V372-F374 HydrophobicContact CG2-CD1 3.73Å; V372-F374 HydrophobicContact CG2-CE1 3.61Å; V372-F374 HydrophobicContact CG2-CE2 4.47Å; V372-F374 HydrophobicContact CG2-CG 4.24Å; V372-F374 HydrophobicContact CG2-CZ 4Å; V372-F374 PolarHBondContact O-N 2.98Å
373	H	98.5	Very high	97.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-78.7	5.5	-175.1	64.9	-77.2	0	0	0	115.3	A59 H245 L249 T272 V347 G427 T428 P429	A59-H373 PolarHBondContact O-CD2 2.8Å; A59-H373 PolarHBondContact O-NE2 2.97Å; A59-H373 VanDerWaalsContact O-NE2 3.14Å; H245-H373 AromaticContact CG-CE1 4Å; H245-H373 AromaticContact ND1-CE1 3.46Å; H245-H373 PolarHBondContact ND1-CE1 3.23Å; H245-H373 AromaticContact ND1-NE2 3.15Å; H245-H373 PolarHBondContact ND1-NE2 3.33Å; H245-H373 VanDerWaalsContact ND1-NE2 3.15Å; H245-H373 PolarHBondContact O-CE1 2.9Å; H245-H373 PolarHBondContact O-ND1 2.96Å; L249-H373 HydrophobicContact CD1-CB 4.37Å; T272-H373 HydrophobicContact CG2-CB 4.18Å; V347-H373 HydrophobicContact CG1-CB 3.41Å; V347-H373 VanDerWaalsContact CG1-CB 3.41Å; H373-G427 VanDerWaalsContact O-CA 3.25Å; H373-G427 WeakPolarHBondContact O-CA 3.47Å; H373-T428 PolarHBondContact O-N 3Å; H373-T428 PolarHBondContact O-OG1 3.29Å; H373-P429 HydrophobicContact CB-CG 3.91Å; H373-P429 VanDerWaalsContact CD2-CG 3.45Å; H373-P429 WeakPolarHBondContact CD2-CG 3.41Å
374	F	98.5	Very high	97.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	162	-176.1	71.6	-95.9	0	0	0	112.7	A59 Y219 P220 T370 V372 R425 I426	A59-F374 HydrophobicContact CB-CB 3.56Å; A59-F374 HydrophobicContact CB-CD1 4.37Å; A59-F374 HydrophobicContact CB-CG 4.08Å; Y219-F374 VanDerWaalsContact O-CZ 3.25Å; Y219-F374 WeakPolarHBondContact O-CZ 3.45Å; P220-F374 HydrophobicContact CB-CD2 4.4Å; P220-F374 HydrophobicContact CB-CE2 4.05Å; T370-F374 VanDerWaalsContact CB-O 3.27Å; T370-F374 WeakPolarHBondContact CB-O 3.21Å; T370-F374 PolarHBondContact OG1-O 2.95Å; V372-F374 HydrophobicContact CG2-CD1 3.73Å; V372-F374 HydrophobicContact CG2-CE1 3.61Å; V372-F374 HydrophobicContact CG2-CE2 4.47Å; V372-F374 HydrophobicContact CG2-CG 4.24Å; V372-F374 HydrophobicContact CG2-CZ 4Å; V372-F374 PolarHBondContact O-N 2.98Å; F374-R425 HydrophobicContact CD2-CG 3.81Å; F374-R425 HydrophobicContact CE2-CG 4.37Å; F374-R425 HydrophobicContact CG-CG 4.38Å; F374-I426 CarbonylContact C-O 3.52Å; F374-I426 WeakPolarHBondContact CA-O 3.41Å; F374-I426 VanDerWaalsContact CB-O 3.26Å; F374-I426 WeakPolarHBondContact CB-O 3.45Å
375	I	98.3	Very high	97.1	Very high	0 Å²	0	22 Å²	22	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	147.3	178.2	-57.1	156.1	0	0	0	108.1	L354 A355 L358 L365 T370 I377 R425 I426	L354-I375 HydrophobicContact CB-CD1 3.79Å; L354-I375 HydrophobicContact CD2-CD1 3.72Å; L354-I375 HydrophobicContact CG-CD1 3.52Å; A355-I375 HydrophobicContact CB-CD1 3.73Å; A355-I375 HydrophobicContact CB-CG1 4.03Å; A355-I375 VanDerWaalsContact N-CD1 3.34Å; L358-I375 HydrophobicContact CD1-CD1 4.45Å; L365-I375 HydrophobicContact CB-CG2 4.25Å; L365-I375 HydrophobicContact CD1-CG2 3.77Å; L365-I375 HydrophobicContact CD2-CG2 3.49Å; L365-I375 VanDerWaalsContact CD2-CG2 3.49Å; L365-I375 HydrophobicContact CG-CG2 4.02Å; T370-I375 HydrophobicContact CG2-CG1 3.94Å; I375-I377 HydrophobicContact CG2-CG1 4.46Å; I375-R425 WeakPolarHBondContact O-CA 3.41Å; I375-I426 HydrophobicContact CB-CG1 4.2Å; I375-I426 PolarHBondContact N-O 2.97Å; I375-I426 PolarHBondContact O-N 3.24Å
376	L	98.1	Very high	97.1	Very high	8 Å²	8	26.8 Å²	26.8	4%	0.042	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113.2	170.1	-179.4	62	0	0	0	109	A218 P220 L365 V366 N410 V412 R425	A218-L376 WeakPolarHBondContact O-CD2 3.48Å; P220-L376 HydrophobicContact CG-CB 4.43Å; L365-L376 CarbonylContact C-O 3.55Å; L365-L376 WeakPolarHBondContact CA-O 3.42Å; V366-L376 HydrophobicContact CB-CB 4.07Å; V366-L376 HydrophobicContact CB-CD2 3.92Å; V366-L376 HydrophobicContact CB-CG 3.98Å; V366-L376 HydrophobicContact CG1-CD2 4.03Å; V366-L376 HydrophobicContact CG2-CB 4.27Å; V366-L376 HydrophobicContact CG2-CD2 3.79Å; V366-L376 HydrophobicContact CG2-CG 3.69Å; V366-L376 PolarHBondContact N-O 3.09Å; L376-N410 HydrophobicContact CD1-CB 3.75Å; L376-V412 HydrophobicContact CD1-CG1 4.18Å; L376-V412 HydrophobicContact CD2-CG1 4.24Å; L376-V412 HydrophobicContact CG-CG1 4.12Å; L376-R425 HydrophobicContact CD1-CB 4.18Å
377	I	97.9	Very high	97	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	137.6	178.1	-64.4	168.2	0	0	0	109.1	L358 I363 L365 I375 L379 G423 L424 I426	L358-I377 HydrophobicContact CD1-CD1 3.95Å; L358-I377 HydrophobicContact CD1-CG1 4.44Å; I363-I377 HydrophobicContact CG2-CB 4.39Å; I363-I377 HydrophobicContact CG2-CD1 4.28Å; I363-I377 HydrophobicContact CG2-CG1 4.13Å; I363-I377 HydrophobicContact CG2-CG2 3.45Å; I363-I377 VanDerWaalsContact CG2-CG2 3.45Å; L365-I377 HydrophobicContact CD2-CG1 3.91Å; I375-I377 HydrophobicContact CG2-CG1 4.46Å; I377-L379 HydrophobicContact CG2-CD2 3.71Å; I377-L379 HydrophobicContact CG2-CG 4.26Å; I377-G423 CarbonylContact O-C 3.38Å; I377-G423 WeakPolarHBondContact O-CA 3.42Å; I377-L424 HydrophobicContact CB-CB 4.28Å; I377-L424 HydrophobicContact CD1-CB 4.4Å; I377-L424 PolarHBondContact N-O 3.36Å; I377-L424 PolarHBondContact O-N 2.81Å; I377-L424 VanDerWaalsContact O-N 3.11Å; I377-I426 HydrophobicContact CD1-CD1 3.66Å; I377-I426 HydrophobicContact CD1-CG1 4.34Å; I377-I426 HydrophobicContact CG1-CD1 4.47Å
378	D	96.9	Very high	97	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	100	166.1	178.9	-3.2	0	0	0	109.6	R364 V366 S380 K381 S382 V412	R364-D378 HydrophobicContact CG-CB 4.44Å; R364-D378 IonicContact NE-OD2 2.68Å; R364-D378 PolarHBondContact O-N 3.22Å; V366-D378 HydrophobicContact CG2-CB 4.14Å; D378-S380 VanDerWaalsContact C-N 3.25Å; D378-S380 PolarHBondContact O-N 3.32Å; D378-S380 WeakPolarHBondContact OD1-CB 3.47Å; D378-S380 PolarHBondContact OD1-N 2.75Å; D378-S380 PolarHBondContact OD1-OG 2.69Å; D378-K381 PolarHBondContact OD1-N 3.24Å; D378-K381 VanDerWaalsContact OD2-CD 3.26Å; D378-K381 WeakPolarHBondContact OD2-CD 3.4Å; D378-K381 WeakPolarHBondContact OD2-CG 3.27Å; D378-K381 IonicContact OD2-NZ 3.67Å; D378-S382 PolarHBondContact O-N 3.17Å; D378-S382 PolarHBondContact O-OG 2.93Å; D378-V412 HydrophobicContact CB-CG1 4.34Å; D378-V412 HydrophobicContact CB-CG2 4.48Å
379	L	97.2	Very high	96.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-66.2	-31	-178.6	-57.6	172	0	0	0	111.8	I377 K381 S382 L388 D392 V396 S422 L424 L452	I377-L379 HydrophobicContact CG2-CD2 3.71Å; I377-L379 HydrophobicContact CG2-CG 4.26Å; L379-K381 PolarHBondContact O-N 2.88Å; L379-S382 PolarHBondContact O-N 2.79Å; L379-L388 HydrophobicContact CB-CB 4.3Å; L379-L388 HydrophobicContact CB-CD1 4.45Å; L379-L388 HydrophobicContact CD2-CD1 4.08Å; L379-D392 HydrophobicContact CD1-CB 4.47Å; L379-V396 HydrophobicContact CD1-CG2 3.78Å; L379-S422 WeakPolarHBondContact CB-O 3.36Å; L379-S422 WeakPolarHBondContact CG-O 3.35Å; L379-S422 PolarHBondContact N-O 2.79Å; L379-S422 VanDerWaalsContact N-O 3.13Å; L379-L424 HydrophobicContact CD1-CD1 4.16Å; L379-L424 HydrophobicContact CD1-CD2 4.26Å; L379-L424 HydrophobicContact CD1-CG 3.95Å; L379-L424 HydrophobicContact CD2-CD1 3.97Å; L379-L424 HydrophobicContact CD2-CG 4.32Å; L379-L424 HydrophobicContact CG-CD1 4.41Å; L379-L424 HydrophobicContact CG-CG 4.26Å; L379-L452 HydrophobicContact CD2-CD1 4.26Å; L379-L452 HydrophobicContact CD2-CD2 3.72Å
380	S	94.2	Very high	96.5	Very high	31 Å²	31	37.1 Å²	37.1	22%	0.217	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-71.8	-18.5	-173.4	73.3	0	0	0	0	113.8	D378	D378-S380 VanDerWaalsContact C-N 3.25Å; D378-S380 PolarHBondContact O-N 3.32Å; D378-S380 WeakPolarHBondContact OD1-CB 3.47Å; D378-S380 PolarHBondContact OD1-N 2.75Å; D378-S380 PolarHBondContact OD1-OG 2.69Å
381	K	94.1	Very high	96.2	Very high	91 Å²	91	37 Å²	37	40%	0.396	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-124.2	21.4	-179.7	-62.6	-179.3	-163.8	163.7	0	111.9	R364 D378 L379 P383	R364-K381 WeakPolarHBondContact CB-O 3.44Å; D378-K381 PolarHBondContact OD1-N 3.24Å; D378-K381 VanDerWaalsContact OD2-CD 3.26Å; D378-K381 WeakPolarHBondContact OD2-CD 3.4Å; D378-K381 WeakPolarHBondContact OD2-CG 3.27Å; D378-K381 IonicContact OD2-NZ 3.67Å; L379-K381 PolarHBondContact O-N 2.88Å; K381-P383 WeakPolarHBondContact O-CD 3.29Å
382	S	97.4	Very high	96	Very high	4 Å²	4	34 Å²	34	3%	0.028	19%	0.189	C	C	.	.			trans	-84.7	106.3	177.9	-74.8	0	0	0	0	110.9	G362 R364 D378 L379 G384 K385	G362-S382 CarbonylContact O-C 3.46Å; R364-S382 PolarHBondContact N-OG 3.37Å; D378-S382 PolarHBondContact O-N 3.17Å; D378-S382 PolarHBondContact O-OG 2.93Å; L379-S382 PolarHBondContact O-N 2.79Å; S382-G384 PolarHBondContact O-N 2.9Å; S382-K385 CarbonylContact O-C 3.59Å; S382-K385 PolarHBondContact O-N 2.94Å
383	P	97.1	Very high	95.9	Very high	102 Å²	102	33.9 Å²	33.9	66%	0.662	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-28.1	-176.6	24.1	-35.3	0	0	0	114.2	G362 K381 K385 P386	G362-P383 WeakPolarHBondContact O-CD 3.49Å; G362-P383 WeakPolarHBondContact O-CG 3.47Å; G362-P383 VanDerWaalsContact O-N 3.15Å; K381-P383 WeakPolarHBondContact O-CD 3.29Å; P383-K385 VanDerWaalsContact C-N 3.26Å; P383-K385 PolarHBondContact O-N 2.94Å; P383-P386 WeakPolarHBondContact O-CD 3.49Å
384	G	96.9	Very high	95.7	Very high	32 Å²	32	34.2 Å²	34.2	33%	0.33	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-16.3	176.1	0	0	0	0	0	114	G362 S382	G362-G384 PolarHBondContact O-N 3.48Å; S382-G384 PolarHBondContact O-N 2.9Å
385	K	96.8	Very high	95.5	Very high	14 Å²	14	36.2 Å²	36.2	6%	0.061	20%	0.199	C	C	.	.			trans	-132.9	60.5	-179.8	-58.7	-64.8	-179.7	-134.9	0	111.5	I363 S382 P383 K387 L388 D449 L452 D453	I363-K385 HydrophobicContact CD1-CG 3.58Å; S382-K385 CarbonylContact O-C 3.59Å; S382-K385 PolarHBondContact O-N 2.94Å; P383-K385 VanDerWaalsContact C-N 3.26Å; P383-K385 PolarHBondContact O-N 2.94Å; K385-K387 PolarHBondContact O-N 3.36Å; K385-L388 HydrophobicContact CB-CB 4.49Å; K385-L388 HydrophobicContact CB-CD1 3.85Å; K385-L388 HydrophobicContact CB-CG 4.12Å; K385-L388 HydrophobicContact CG-CD1 4.35Å; K385-L388 PolarHBondContact O-N 2.9Å; K385-D449 WeakPolarHBondContact CE-OD1 3.28Å; K385-D449 IonicContact NZ-OD1 3.23Å; K385-D449 PolarHBondContact NZ-OD1 3.43Å; K385-D449 IonicContact NZ-OD2 3.67Å; K385-D449 PolarHBondContact NZ-OD2 2.8Å; K385-L452 HydrophobicContact CD-CB 4Å; K385-L452 HydrophobicContact CG-CB 4.11Å; K385-L452 HydrophobicContact CG-CD1 4.09Å; K385-D453 VanDerWaalsContact CD-OD1 3.31Å; K385-D453 WeakPolarHBondContact CD-OD1 3.02Å; K385-D453 WeakPolarHBondContact CE-OD1 2.94Å; K385-D453 IonicContact NZ-OD1 3.23Å; K385-D453 PolarHBondContact NZ-OD1 2.88Å; K385-D453 IonicContact NZ-OD2 2.87Å; K385-D453 PolarHBondContact NZ-OD2 3.27Å
386	P	96	Very high	95.5	Very high	108 Å²	108	36.2 Å²	36.2	70%	0.701	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-12	-169.9	29.1	-36.8	0	0	0	114.5	P383	P383-P386 WeakPolarHBondContact O-CD 3.49Å
387	K	96.3	Very high	95.4	Very high	147 Å²	147	38 Å²	38	64%	0.639	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-11.2	176.1	-65	-176	-179.2	177.1	0	113	K385 V456 K459	K385-K387 PolarHBondContact O-N 3.36Å; K387-V456 HydrophobicContact CB-CG1 3.69Å; K387-V456 HydrophobicContact CB-CG2 4.03Å; K387-V456 HydrophobicContact CD-CG1 3.55Å; K387-V456 HydrophobicContact CG-CG1 4.21Å; K387-K459 PolarHBondContact O-NZ 3.15Å
388	L	95.3	Very high	95.3	Very high	5 Å²	5	40 Å²	40	3%	0.026	22%	0.217	C	C	.	.			trans	-81.9	140.2	167.7	-61.4	-179.6	0	0	0	109.2	L379 K385 D392 L452 T455 V456	L379-L388 HydrophobicContact CB-CB 4.3Å; L379-L388 HydrophobicContact CB-CD1 4.45Å; L379-L388 HydrophobicContact CD2-CD1 4.08Å; K385-L388 HydrophobicContact CB-CB 4.49Å; K385-L388 HydrophobicContact CB-CD1 3.85Å; K385-L388 HydrophobicContact CB-CG 4.12Å; K385-L388 HydrophobicContact CG-CD1 4.35Å; K385-L388 PolarHBondContact O-N 2.9Å; L388-D392 VanDerWaalsContact CA-OD2 3.32Å; L388-D392 WeakPolarHBondContact CA-OD2 3.43Å; L388-D392 HydrophobicContact CD2-CB 4.3Å; L388-L452 HydrophobicContact CD1-CB 4.14Å; L388-L452 HydrophobicContact CD1-CD2 3.84Å; L388-L452 HydrophobicContact CD1-CG 4.4Å; L388-T455 HydrophobicContact CD2-CG2 4.02Å; L388-V456 HydrophobicContact CD2-CG2 3.66Å; L388-V456 HydrophobicContact CG-CG2 3.76Å
389	S	92	Very high	95.4	Very high	53 Å²	53	40 Å²	40	37%	0.371	22%	0.217	S	C	.	.			trans	-136.9	179.8	-171.9	62.9	0	0	0	0	110.4	G391 D392 K459	S389-G391 PolarHBondContact O-N 3.44Å; S389-D392 PolarHBondContact N-OD2 3.37Å; S389-D392 WeakPolarHBondContact O-CB 3.41Å; S389-D392 PolarHBondContact O-N 3.35Å; S389-D392 PolarHBondContact OG-OD2 3.36Å; S389-K459 PolarHBondContact OG-NZ 3.45Å
390	R	91.2	Very high	95.5	Very high	109 Å²	109	40 Å²	40	41%	0.411	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	137.6	175.7	-70.3	-169.8	174.1	-82	3.3	111.8	V413 G414 D415 S422	R390-V413 PolarHBondContact NH2-O 3.46Å; R390-G414 VanDerWaalsContact CZ-O 3.25Å; R390-G414 PolarHBondContact NH1-O 3.36Å; R390-G414 VanDerWaalsContact NH1-O 3.09Å; R390-D415 VanDerWaalsContact NH1-N 3.18Å; R390-D415 IonicContact NH1-OD1 3.33Å; R390-D415 PolarHBondContact NH1-OD1 3.11Å; R390-S422 WeakPolarHBondContact CA-OG 3.23Å; R390-S422 WeakPolarHBondContact CB-OG 3.23Å
391	G	90.8	Very high	95.6	Very high	7 Å²	7	42.7 Å²	42.7	7%	0.072	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	2.7	-179.5	0	0	0	0	0	116.8	S389 G393 Q420 P421 S422	S389-G391 PolarHBondContact O-N 3.44Å; G391-G393 VanDerWaalsContact C-N 3.33Å; G391-G393 PolarHBondContact O-N 3.35Å; G391-Q420 VanDerWaalsContact CA-O 3.27Å; G391-Q420 WeakPolarHBondContact CA-O 3.47Å; G391-P421 CarbonylContact C-O 3.45Å; G391-P421 WeakPolarHBondContact CA-O 3.44Å; G391-S422 PolarHBondContact N-OG 2.94Å
392	D	94.4	Very high	95.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-8.6	-179.2	-76.9	-26.4	0	0	0	115	L379 L388 S389 A394 R395 V396 K459	L379-D392 HydrophobicContact CD1-CB 4.47Å; L388-D392 VanDerWaalsContact CA-OD2 3.32Å; L388-D392 WeakPolarHBondContact CA-OD2 3.43Å; L388-D392 HydrophobicContact CD2-CB 4.3Å; S389-D392 PolarHBondContact N-OD2 3.37Å; S389-D392 WeakPolarHBondContact O-CB 3.41Å; S389-D392 PolarHBondContact O-N 3.35Å; S389-D392 PolarHBondContact OG-OD2 3.36Å; D392-A394 PolarHBondContact O-N 3.02Å; D392-A394 VanDerWaalsContact O-N 3.16Å; D392-R395 WeakPolarHBondContact O-CB 3.4Å; D392-R395 PolarHBondContact O-N 3.43Å; D392-R395 WeakPolarHBondContact OD1-CD 3.3Å; D392-R395 IonicContact OD1-CZ 3.44Å; D392-R395 IonicContact OD1-NE 3.23Å; D392-R395 IonicContact OD1-NH1 3.13Å; D392-R395 PolarHBondContact OD1-NH1 2.89Å; D392-V396 PolarHBondContact O-N 3.27Å; D392-K459 IonicContact OD1-NZ 2.81Å; D392-K459 IonicContact OD2-NZ 3.88Å; D392-K459 PolarHBondContact OD2-NZ 3.43Å
393	G	95.9	Very high	95.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-56.8	-35.3	177.7	0	0	0	0	0	112.4	G391 Q397 P421	G391-G393 VanDerWaalsContact C-N 3.33Å; G391-G393 PolarHBondContact O-N 3.35Å; G393-Q397 WeakPolarHBondContact O-CB 3.44Å; G393-Q397 PolarHBondContact O-N 2.91Å; G393-P421 WeakPolarHBondContact CA-O 3.32Å; G393-P421 PolarHBondContact N-O 2.95Å
394	A	93.7	Very high	95.9	Very high	6 Å²	6	37.4 Å²	37.4	5%	0.05	20%	0.199	C	C	.	.	H	α-helix	trans	-65.5	-36.8	174.5	0	0	0	0	0	113.6	D392 M398 K409	D392-A394 PolarHBondContact O-N 3.02Å; D392-A394 VanDerWaalsContact O-N 3.16Å; A394-M398 WeakPolarHBondContact O-CG 3.34Å; A394-M398 PolarHBondContact O-N 3.44Å; A394-K409 HydrophobicContact CB-CD 4Å
395	R	95.6	Very high	96	Very high	42 Å²	42	35.9 Å²	35.9	16%	0.158	18%	0.183	C	C	.	.	H	α-helix	trans	-70	-44.9	178.2	-72.4	-177.1	-179.9	85.9	3.4	111.2	D392 M398 I399 T455 L465 F468	D392-R395 WeakPolarHBondContact O-CB 3.4Å; D392-R395 PolarHBondContact O-N 3.43Å; D392-R395 WeakPolarHBondContact OD1-CD 3.3Å; D392-R395 IonicContact OD1-CZ 3.44Å; D392-R395 IonicContact OD1-NE 3.23Å; D392-R395 IonicContact OD1-NH1 3.13Å; D392-R395 PolarHBondContact OD1-NH1 2.89Å; R395-M398 PolarHBondContact O-N 3.41Å; R395-I399 PolarHBondContact O-N 2.96Å; R395-T455 HydrophobicContact CB-CG2 3.9Å; R395-L465 HydrophobicContact CG-CD1 3.73Å; R395-F468 HydrophobicContact CB-CD1 4.45Å; R395-F468 HydrophobicContact CB-CE1 3.84Å; R395-F468 HydrophobicContact CB-CE2 3.98Å; R395-F468 HydrophobicContact CB-CZ 3.57Å; R395-F468 HydrophobicContact CG-CD1 4.15Å; R395-F468 HydrophobicContact CG-CD2 4.06Å; R395-F468 HydrophobicContact CG-CE1 4.03Å; R395-F468 HydrophobicContact CG-CE2 3.94Å; R395-F468 HydrophobicContact CG-CG 4.16Å; R395-F468 HydrophobicContact CG-CZ 3.92Å
396	V	97.5	Very high	96.1	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61	-47.1	177.7	178.3	0	0	0	0	110.5	L379 D392 M398 I399 G400 L407 L424 L451 L452 T455	L379-V396 HydrophobicContact CD1-CG2 3.78Å; D392-V396 PolarHBondContact O-N 3.27Å; V396-M398 VanDerWaalsContact C-N 3.32Å; V396-M398 PolarHBondContact O-N 2.87Å; V396-I399 PolarHBondContact O-N 3.39Å; V396-G400 PolarHBondContact O-N 2.81Å; V396-L407 HydrophobicContact CG1-CD2 4.45Å; V396-L424 HydrophobicContact CB-CD1 4.22Å; V396-L424 HydrophobicContact CB-CD2 4.2Å; V396-L424 HydrophobicContact CG1-CD1 3.65Å; V396-L424 HydrophobicContact CG1-CD2 4.31Å; V396-L451 HydrophobicContact CG1-CD2 3.87Å; V396-L451 HydrophobicContact CG1-CG 4.03Å; V396-L452 HydrophobicContact CB-CD2 4.37Å; V396-L452 HydrophobicContact CG1-CD2 3.77Å; V396-L452 HydrophobicContact CG2-CD2 3.62Å; V396-T455 HydrophobicContact CG2-CG2 3.81Å
397	Q	96.8	Very high	96.1	Very high	45 Å²	45	31 Å²	31	21%	0.21	15%	0.152	C	C	.	.	H	α-helix	trans	-58.8	-42.3	179.3	-172.4	-178	-51.7	0	0	112.1	G393 I399 G400 D401 L407 K409	G393-Q397 WeakPolarHBondContact O-CB 3.44Å; G393-Q397 PolarHBondContact O-N 2.91Å; Q397-I399 VanDerWaalsContact C-N 3.31Å; Q397-I399 PolarHBondContact O-N 3.41Å; Q397-G400 PolarHBondContact O-N 3.42Å; Q397-G400 VanDerWaalsContact O-N 3.16Å; Q397-D401 PolarHBondContact O-N 3.46Å; Q397-L407 HydrophobicContact CB-CD1 4.01Å; Q397-L407 HydrophobicContact CG-CD1 4.16Å; Q397-K409 VanDerWaalsContact OE1-CG 3.24Å
398	M	96.1	Very high	96.1	Very high	44 Å²	44	25.1 Å²	25.1	22%	0.217	13%	0.128	C	C	.	.	H	α-helix	trans	-58.5	-41.2	177.7	-73.6	177	-172.1	0	0	112.8	A394 R395 V396 L402 L465 F468 Q469 L472	A394-M398 WeakPolarHBondContact O-CG 3.34Å; A394-M398 PolarHBondContact O-N 3.44Å; R395-M398 PolarHBondContact O-N 3.41Å; V396-M398 VanDerWaalsContact C-N 3.32Å; V396-M398 PolarHBondContact O-N 2.87Å; M398-L402 WeakPolarHBondContact O-CG 3.45Å; M398-L465 HydrophobicContact CE-CD1 3.85Å; M398-L465 HydrophobicContact CE-CD2 3.81Å; M398-L465 HydrophobicContact CE-CG 3.87Å; M398-L465 HydrophobicContact SD-CD1 4.03Å; M398-L465 HydrophobicContact SD-CG 4.46Å; M398-F468 HydrophobicContact SD-CD1 4.44Å; M398-Q469 HydrophobicContact CE-CG 4.34Å; M398-Q469 VanDerWaalsContact CE-NE2 3.32Å; M398-Q469 HydrophobicContact SD-CG 3.77Å; M398-L472 HydrophobicContact CB-CD1 4.35Å
399	I	98	Very high	96.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-74.5	-38.7	176.8	-61.4	174.6	0	0	0	110.2	R395 V396 Q397 D401 L402 V403 L451 L454 T455 V458 F468 L472	R395-I399 PolarHBondContact O-N 2.96Å; V396-I399 PolarHBondContact O-N 3.39Å; Q397-I399 VanDerWaalsContact C-N 3.31Å; Q397-I399 PolarHBondContact O-N 3.41Å; I399-D401 VanDerWaalsContact C-N 3.31Å; I399-D401 PolarHBondContact O-N 2.91Å; I399-L402 WeakPolarHBondContact O-CB 3.42Å; I399-L402 PolarHBondContact O-N 3.31Å; I399-V403 HydrophobicContact CG2-CG1 4.2Å; I399-V403 WeakPolarHBondContact O-CG2 3.38Å; I399-V403 PolarHBondContact O-N 2.96Å; I399-L451 HydrophobicContact CB-CD1 3.62Å; I399-L451 HydrophobicContact CG2-CD1 3.36Å; I399-L454 HydrophobicContact CG2-CD2 3.75Å; I399-L454 HydrophobicContact CG2-CG 4.18Å; I399-T455 HydrophobicContact CD1-CG2 4.37Å; I399-V458 HydrophobicContact CD1-CB 4.26Å; I399-V458 HydrophobicContact CD1-CG2 4.02Å; I399-F468 HydrophobicContact CD1-CE1 4.06Å; I399-F468 HydrophobicContact CD1-CZ 3.54Å; I399-F468 HydrophobicContact CG1-CE1 4.1Å; I399-F468 HydrophobicContact CG1-CZ 4.09Å; I399-L472 HydrophobicContact CD1-CD2 4.05Å; I399-L472 HydrophobicContact CG1-CD1 4.14Å; I399-L472 HydrophobicContact CG1-CD2 3.72Å
400	G	98.3	Very high	96.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-52.3	-48.2	176	0	0	0	0	0	112.3	V396 Q397 L402 V403 G404 I405	V396-G400 PolarHBondContact O-N 2.81Å; Q397-G400 PolarHBondContact O-N 3.42Å; Q397-G400 VanDerWaalsContact O-N 3.16Å; G400-L402 VanDerWaalsContact C-N 3.28Å; G400-L402 PolarHBondContact O-N 3.12Å; G400-V403 PolarHBondContact O-N 3.45Å; G400-G404 PolarHBondContact O-N 3.33Å; G400-I405 CarbonylContact C-O 3.49Å; G400-I405 VanDerWaalsContact CA-O 3.28Å; G400-I405 WeakPolarHBondContact CA-O 3.33Å; G400-I405 PolarHBondContact O-N 3.24Å
401	D	97.5	Very high	96.4	Very high	87 Å²	87	23 Å²	23	47%	0.465	12%	0.117	S	C	.	.	H	α-helix	trans	-59.6	-37.5	176.9	-66.3	-22.2	0	0	0	112.1	Q397 I399	Q397-D401 PolarHBondContact O-N 3.46Å; I399-D401 VanDerWaalsContact C-N 3.31Å; I399-D401 PolarHBondContact O-N 2.91Å
402	L	97.9	Very high	96.4	Very high	84 Å²	84	22.9 Å²	22.9	44%	0.44	12%	0.115	S	C	.	.	H	α-helix	trans	-73.6	-31.8	179	-65	174.1	0	0	0	113.2	M398 I399 G400 L472 I482 R486	M398-L402 WeakPolarHBondContact O-CG 3.45Å; I399-L402 WeakPolarHBondContact O-CB 3.42Å; I399-L402 PolarHBondContact O-N 3.31Å; G400-L402 VanDerWaalsContact C-N 3.28Å; G400-L402 PolarHBondContact O-N 3.12Å; L402-L472 HydrophobicContact CD1-CB 4.32Å; L402-L472 HydrophobicContact CD1-CD1 4.11Å; L402-I482 HydrophobicContact CB-CG2 3.82Å; L402-I482 HydrophobicContact CD1-CD1 4.03Å; L402-R486 WeakPolarHBondContact O-CD 3.5Å
403	V	98.4	Very high	96.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-96.2	-2.2	-178.4	-55	0	0	0	0	113.5	I399 G400 I405 L451 I482 L485 R486 V489	I399-V403 HydrophobicContact CG2-CG1 4.2Å; I399-V403 WeakPolarHBondContact O-CG2 3.38Å; I399-V403 PolarHBondContact O-N 2.96Å; G400-V403 PolarHBondContact O-N 3.45Å; V403-I405 HydrophobicContact CG2-CB 4.24Å; V403-I405 HydrophobicContact CG2-CD1 3.89Å; V403-I405 HydrophobicContact CG2-CG1 3.94Å; V403-L451 HydrophobicContact CG2-CD1 4.14Å; V403-I482 HydrophobicContact CG1-CB 4.42Å; V403-I482 HydrophobicContact CG1-CG2 3.99Å; V403-L485 HydrophobicContact CB-CB 4.44Å; V403-L485 HydrophobicContact CB-CD2 4.2Å; V403-L485 HydrophobicContact CB-CG 3.99Å; V403-L485 HydrophobicContact CG1-CB 4.17Å; V403-L485 HydrophobicContact CG1-CD2 4.01Å; V403-L485 HydrophobicContact CG1-CG 4.08Å; V403-L485 HydrophobicContact CG2-CD2 4.18Å; V403-L485 HydrophobicContact CG2-CG 4.34Å; V403-R486 WeakPolarHBondContact O-CA 3.35Å; V403-R486 VanDerWaalsContact O-CD 3.28Å; V403-R486 WeakPolarHBondContact O-CD 3.28Å; V403-V489 WeakPolarHBondContact O-CB 3.25Å; V403-V489 WeakPolarHBondContact O-CG1 3.49Å
404	G	98.4	Very high	95.6	Very high	2 Å²	2	26.5 Å²	26.5	2%	0.021	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	28.5	179.7	0	0	0	0	0	113.8	S54 L55 G400 V489	S54-G404 CarbonylContact C-O 3.58Å; S54-G404 VanDerWaalsContact CA-O 3.29Å; S54-G404 WeakPolarHBondContact CA-O 3.15Å; S54-G404 WeakPolarHBondContact CB-O 3.4Å; L55-G404 PolarHBondContact N-O 3.24Å; G400-G404 PolarHBondContact O-N 3.33Å; G404-V489 WeakPolarHBondContact O-CG1 3.5Å
405	I	98.7	Very high	95.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	96.3	168.7	-58.9	171.6	0	0	0	106.7	L55 L57 G400 V403 L407 F447 I448 L451 V489	L55-I405 HydrophobicContact CD1-CG1 4.41Å; L57-I405 HydrophobicContact CD1-CG2 3.88Å; G400-I405 CarbonylContact C-O 3.49Å; G400-I405 VanDerWaalsContact CA-O 3.28Å; G400-I405 WeakPolarHBondContact CA-O 3.33Å; G400-I405 PolarHBondContact O-N 3.24Å; V403-I405 HydrophobicContact CG2-CB 4.24Å; V403-I405 HydrophobicContact CG2-CD1 3.89Å; V403-I405 HydrophobicContact CG2-CG1 3.94Å; I405-L407 HydrophobicContact CG2-CD2 4.18Å; I405-F447 HydrophobicContact CD1-CB 3.86Å; I405-I448 HydrophobicContact CG2-CG1 4.29Å; I405-L451 HydrophobicContact CB-CD2 4.22Å; I405-L451 HydrophobicContact CD1-CB 4.1Å; I405-L451 HydrophobicContact CD1-CD2 4.15Å; I405-L451 HydrophobicContact CG2-CD2 4.13Å; I405-V489 HydrophobicContact CD1-CG2 4.15Å; I405-V489 HydrophobicContact CG1-CG1 4.15Å; I405-V489 HydrophobicContact CG1-CG2 4.07Å
406	V	98.4	Very high	94.6	Very high	16 Å²	16	31.7 Å²	31.7	10%	0.097	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	112.2	-169.4	-173.5	0	0	0	0	108.4	L55 E56 L57 I58	L55-V406 PolarHBondContact O-N 2.72Å; E56-V406 WeakPolarHBondContact OE1-CB 3.31Å; E56-V406 WeakPolarHBondContact OE1-CG1 3.36Å; L57-V406 CarbonylContact C-O 3.55Å; L57-V406 WeakPolarHBondContact CA-O 3.45Å; L57-V406 WeakPolarHBondContact CB-O 3.43Å; L57-V406 PolarHBondContact N-O 2.97Å; I58-V406 HydrophobicContact CD1-CG1 3.72Å; I58-V406 HydrophobicContact CG1-CG1 4.11Å; I58-V406 PolarHBondContact N-O 3.48Å
407	L	97.6	Very high	93.8	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.016	20%	0.201	C	C	.	.			trans	-141.6	167.2	-173.2	58.4	73.6	0	0	0	110.3	V396 Q397 I405 L424 I426 L451	V396-L407 HydrophobicContact CG1-CD2 4.45Å; Q397-L407 HydrophobicContact CB-CD1 4.01Å; Q397-L407 HydrophobicContact CG-CD1 4.16Å; I405-L407 HydrophobicContact CG2-CD2 4.18Å; L407-L424 HydrophobicContact CD1-CD2 3.79Å; L407-L424 HydrophobicContact CD2-CD1 4.21Å; L407-I426 HydrophobicContact CB-CG2 3.77Å; L407-I426 HydrophobicContact CD2-CG2 4.41Å; L407-L451 HydrophobicContact CD2-CD2 4.04Å
408	N	94.7	Very high	92.9	Very high	24 Å²	24	34.7 Å²	34.7	13%	0.128	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.5	176.9	83.2	-104.8	0	0	0	111.9	L424 R425	N408-L424 CarbonylContact O-C 3.17Å; N408-L424 WeakPolarHBondContact O-CA 3.29Å; N408-R425 PolarHBondContact O-N 3.09Å; N408-R425 PolarHBondContact OD1-NE 3.13Å; N408-R425 PolarHBondContact OD1-NH2 3.13Å; N408-R425 VanDerWaalsContact OD1-NH2 3.08Å; N408-R425 PolarHBondContact OD1-O 3.01Å; N408-R425 VanDerWaalsContact OD1-O 3.08Å
409	K	95.4	Very high	92.2	Very high	80 Å²	80	40.6 Å²	40.6	35%	0.348	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	144.3	164	70.3	-167.3	175.4	-162.2	0	110.1	A394 Q397 P421 G423 L424	A394-K409 HydrophobicContact CB-CD 4Å; Q397-K409 VanDerWaalsContact OE1-CG 3.24Å; K409-P421 HydrophobicContact CB-CG 3.73Å; K409-P421 HydrophobicContact CD-CG 3.8Å; K409-P421 HydrophobicContact CG-CG 3.57Å; K409-G423 WeakPolarHBondContact CA-O 3.22Å; K409-L424 HydrophobicContact CB-CD2 4.46Å
410	N	96	Very high	91.5	Very high	25 Å²	25	46.8 Å²	46.8	13%	0.134	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	143.6	-175.2	-156.1	94	0	0	0	111	A218 L376 P421 G423 R425	A218-N410 WeakPolarHBondContact CB-ND2 3.44Å; L376-N410 HydrophobicContact CD1-CB 3.75Å; N410-P421 VanDerWaalsContact O-CB 3.26Å; N410-P421 WeakPolarHBondContact O-CB 3.33Å; N410-G423 PolarHBondContact N-O 2.93Å; N410-G423 CarbonylContact O-C 3.6Å; N410-G423 WeakPolarHBondContact O-CA 3.39Å; N410-G423 PolarHBondContact O-N 3.19Å; N410-R425 HydrophobicContact CB-CB 3.92Å
411	T	93.4	Very high	91.3	Very high	18 Å²	18	46.9 Å²	46.9	11%	0.11	27%	0.274	C	S	.	.			trans	-64.1	149.9	173.5	50.5	0	0	0	0	110.7	P158 D415 A418 P421	P158-T411 VanDerWaalsContact CA-OG1 3.28Å; P158-T411 WeakPolarHBondContact CA-OG1 3.47Å; P158-T411 PolarHBondContact O-OG1 3.08Å; T411-D415 WeakPolarHBondContact CA-OD2 3.28Å; T411-A418 HydrophobicContact CG2-CB 4.22Å; T411-P421 HydrophobicContact CG2-CB 4.27Å
412	V	92.6	Very high	91.1	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.03	25%	0.252	C	S	.	.			trans	-128.6	165.5	168.6	-63.5	0	0	0	0	109.5	V366 L376 D378 G414 D415	V366-V412 HydrophobicContact CG2-CB 4.35Å; V366-V412 HydrophobicContact CG2-CG1 3.82Å; L376-V412 HydrophobicContact CD1-CG1 4.18Å; L376-V412 HydrophobicContact CD2-CG1 4.24Å; L376-V412 HydrophobicContact CG-CG1 4.12Å; D378-V412 HydrophobicContact CB-CG1 4.34Å; D378-V412 HydrophobicContact CB-CG2 4.48Å; V412-G414 PolarHBondContact O-N 3.18Å; V412-D415 PolarHBondContact N-OD2 2.9Å; V412-D415 WeakPolarHBondContact O-CB 3.39Å; V412-D415 PolarHBondContact O-N 3.38Å; V412-D415 VanDerWaalsContact O-N 3.09Å
413	V	87.4	Confident	91	Very high	23 Å²	23	38.8 Å²	38.8	14%	0.139	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	127.3	-178.4	177.3	0	0	0	0	111.1	L188 K190 E193 R390	L188-V413 HydrophobicContact CD1-CG2 4.14Å; K190-V413 HydrophobicContact CB-CG1 4.42Å; K190-V413 HydrophobicContact CG-CG1 4.29Å; E193-V413 HydrophobicContact CG-CG2 4.46Å; R390-V413 PolarHBondContact NH2-O 3.46Å
414	G	85.3	Confident	91	Very high	52 Å²	52	38.8 Å²	38.8	54%	0.536	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.4	1.9	-179.8	0	0	0	0	0	115.4	R390 V412 S416	R390-G414 VanDerWaalsContact CZ-O 3.25Å; R390-G414 PolarHBondContact NH1-O 3.36Å; R390-G414 VanDerWaalsContact NH1-O 3.09Å; V412-G414 PolarHBondContact O-N 3.18Å; G414-S416 PolarHBondContact O-N 2.83Å
415	D	88.7	Confident	90.9	Very high	31 Å²	31	39.3 Å²	39.3	17%	0.166	23%	0.233	C	C	.	.			trans	-64.4	127.9	168.8	-76.9	-13.4	0	0	0	110.4	R390 T411 V412 S417 S422	R390-D415 VanDerWaalsContact NH1-N 3.18Å; R390-D415 IonicContact NH1-OD1 3.33Å; R390-D415 PolarHBondContact NH1-OD1 3.11Å; T411-D415 WeakPolarHBondContact CA-OD2 3.28Å; V412-D415 PolarHBondContact N-OD2 2.9Å; V412-D415 WeakPolarHBondContact O-CB 3.39Å; V412-D415 PolarHBondContact O-N 3.38Å; V412-D415 VanDerWaalsContact O-N 3.09Å; D415-S417 VanDerWaalsContact C-N 3.34Å; D415-S422 WeakPolarHBondContact OD1-CB 3.45Å; D415-S422 PolarHBondContact OD1-OG 3.08Å; D415-S422 PolarHBondContact OD2-N 3.45Å
416	S	80.4	Confident	90.9	Very high	127 Å²	127	39.4 Å²	39.4	89%	0.888	23%	0.233	S	C	*	.	S	Bend	trans	-81.8	-14.5	178.9	56.2	0	0	0	0	113.2	G414	G414-S416 PolarHBondContact O-N 2.83Å
417	S	79.3	Confident	90.9	Very high	40 Å²	40	38.7 Å²	38.7	28%	0.28	23%	0.23	S	C	.	.			trans	-146.6	129.3	-177.6	177.1	0	0	0	0	111.6	D415 Q419 Q420	D415-S417 VanDerWaalsContact C-N 3.34Å; S417-Q419 PolarHBondContact O-N 2.87Å; S417-Q419 PolarHBondContact OG-N 3.44Å; S417-Q419 VanDerWaalsContact OG-N 3.14Å; S417-Q420 CarbonylContact O-C 3.59Å; S417-Q420 PolarHBondContact O-N 2.91Å
418	A	79.5	Confident	91	Very high	67 Å²	67	38.6 Å²	38.6	55%	0.554	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.9	171.3	0	0	0	0	0	113.3	T411	T411-A418 HydrophobicContact CG2-CB 4.22Å
419	Q	79.9	Confident	91.2	Very high	169 Å²	169	37.5 Å²	37.5	79%	0.79	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-20.4	177.8	-61.7	-171.6	48.2	0	0	113	S417 P421	S417-Q419 PolarHBondContact O-N 2.87Å; S417-Q419 PolarHBondContact OG-N 3.44Å; S417-Q419 VanDerWaalsContact OG-N 3.14Å; Q419-P421 WeakPolarHBondContact O-CD 3.41Å
420	Q	84.8	Confident	91.3	Very high	129 Å²	129	33.8 Å²	33.8	60%	0.603	21%	0.207	S	C	*	.	S	Bend	trans	-124.7	67.3	177.9	-66.2	-178.8	-5.2	0	0	109.5	G391 S417	G391-Q420 VanDerWaalsContact CA-O 3.27Å; G391-Q420 WeakPolarHBondContact CA-O 3.47Å; S417-Q420 CarbonylContact O-C 3.59Å; S417-Q420 PolarHBondContact O-N 2.91Å
421	P	92.3	Very high	91.5	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.019	20%	0.201	C	C	.	.			trans	-67.4	143.9	179.3	25.5	-31.9	0	0	0	111.7	G391 G393 K409 N410 T411 Q419	G391-P421 CarbonylContact C-O 3.45Å; G391-P421 WeakPolarHBondContact CA-O 3.44Å; G393-P421 WeakPolarHBondContact CA-O 3.32Å; G393-P421 PolarHBondContact N-O 2.95Å; K409-P421 HydrophobicContact CB-CG 3.73Å; K409-P421 HydrophobicContact CD-CG 3.8Å; K409-P421 HydrophobicContact CG-CG 3.57Å; N410-P421 VanDerWaalsContact O-CB 3.26Å; N410-P421 WeakPolarHBondContact O-CB 3.33Å; T411-P421 HydrophobicContact CG2-CB 4.27Å; Q419-P421 WeakPolarHBondContact O-CD 3.41Å
422	S	94.5	Very high	91.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.198	C	C	.	.			trans	-95.7	-8.6	179.3	-50.9	0	0	0	0	113.8	L379 R390 G391 D415	L379-S422 WeakPolarHBondContact CB-O 3.36Å; L379-S422 WeakPolarHBondContact CG-O 3.35Å; L379-S422 PolarHBondContact N-O 2.79Å; L379-S422 VanDerWaalsContact N-O 3.13Å; R390-S422 WeakPolarHBondContact CA-OG 3.23Å; R390-S422 WeakPolarHBondContact CB-OG 3.23Å; G391-S422 PolarHBondContact N-OG 2.94Å; D415-S422 WeakPolarHBondContact OD1-CB 3.45Å; D415-S422 PolarHBondContact OD1-OG 3.08Å; D415-S422 PolarHBondContact OD2-N 3.45Å
423	G	95.6	Very high	92	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	171.9	-178.5	0	0	0	0	0	114.8	I377 K409 N410	I377-G423 CarbonylContact O-C 3.38Å; I377-G423 WeakPolarHBondContact O-CA 3.42Å; K409-G423 WeakPolarHBondContact CA-O 3.22Å; N410-G423 PolarHBondContact N-O 2.93Å; N410-G423 CarbonylContact O-C 3.6Å; N410-G423 WeakPolarHBondContact O-CA 3.39Å; N410-G423 PolarHBondContact O-N 3.19Å
424	L	97.5	Very high	92.5	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.5	172	-53.8	174.4	0	0	0	108.2	I377 L379 V396 L407 N408 K409 L452	I377-L424 HydrophobicContact CB-CB 4.28Å; I377-L424 HydrophobicContact CD1-CB 4.4Å; I377-L424 PolarHBondContact N-O 3.36Å; I377-L424 PolarHBondContact O-N 2.81Å; I377-L424 VanDerWaalsContact O-N 3.11Å; L379-L424 HydrophobicContact CD1-CD1 4.16Å; L379-L424 HydrophobicContact CD1-CD2 4.26Å; L379-L424 HydrophobicContact CD1-CG 3.95Å; L379-L424 HydrophobicContact CD2-CD1 3.97Å; L379-L424 HydrophobicContact CD2-CG 4.32Å; L379-L424 HydrophobicContact CG-CD1 4.41Å; L379-L424 HydrophobicContact CG-CG 4.26Å; V396-L424 HydrophobicContact CB-CD1 4.22Å; V396-L424 HydrophobicContact CB-CD2 4.2Å; V396-L424 HydrophobicContact CG1-CD1 3.65Å; V396-L424 HydrophobicContact CG1-CD2 4.31Å; L407-L424 HydrophobicContact CD1-CD2 3.79Å; L407-L424 HydrophobicContact CD2-CD1 4.21Å; N408-L424 CarbonylContact O-C 3.17Å; N408-L424 WeakPolarHBondContact O-CA 3.29Å; K409-L424 HydrophobicContact CB-CD2 4.46Å; L424-L452 HydrophobicContact CD1-CD2 4.29Å
425	R	98	Very high	93.1	Very high	14 Å²	14	31.4 Å²	31.4	5%	0.053	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	123.2	170.5	-175.7	-170.3	67.6	163.7	0.4	108.2	A59 T217 H245 F374 I375 L376 N408 N410	A59-R425 HydrophobicContact CB-CG 4.27Å; T217-R425 WeakPolarHBondContact O-CD 3.41Å; T217-R425 PolarHBondContact O-NH1 2.87Å; H245-R425 PolarHBondContact CE1-NH1 2.92Å; H245-R425 PolarHBondContact NE2-NH1 2.87Å; F374-R425 HydrophobicContact CD2-CG 3.81Å; F374-R425 HydrophobicContact CE2-CG 4.37Å; F374-R425 HydrophobicContact CG-CG 4.38Å; I375-R425 WeakPolarHBondContact O-CA 3.41Å; L376-R425 HydrophobicContact CD1-CB 4.18Å; N408-R425 PolarHBondContact O-N 3.09Å; N408-R425 PolarHBondContact OD1-NE 3.13Å; N408-R425 PolarHBondContact OD1-NH2 3.13Å; N408-R425 VanDerWaalsContact OD1-NH2 3.08Å; N408-R425 PolarHBondContact OD1-O 3.01Å; N408-R425 VanDerWaalsContact OD1-O 3.08Å; N410-R425 HydrophobicContact CB-CB 3.92Å
426	I	98.3	Very high	93.6	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	138.6	-178.2	57.5	178.4	0	0	0	109.9	L57 L354 L358 F374 I375 I377 L407 I448	L57-I426 HydrophobicContact CB-CB 4.18Å; L57-I426 HydrophobicContact CB-CG2 4.18Å; L57-I426 CarbonylContact O-C 3.56Å; L57-I426 VanDerWaalsContact O-CA 3.25Å; L57-I426 WeakPolarHBondContact O-CA 3.4Å; L354-I426 HydrophobicContact CD2-CD1 3.88Å; L354-I426 HydrophobicContact CD2-CG1 4.24Å; L354-I426 HydrophobicContact CG-CD1 4.36Å; L358-I426 HydrophobicContact CD1-CD1 3.65Å; F374-I426 CarbonylContact C-O 3.52Å; F374-I426 WeakPolarHBondContact CA-O 3.41Å; F374-I426 VanDerWaalsContact CB-O 3.26Å; F374-I426 WeakPolarHBondContact CB-O 3.45Å; I375-I426 HydrophobicContact CB-CG1 4.2Å; I375-I426 PolarHBondContact N-O 2.97Å; I375-I426 PolarHBondContact O-N 3.24Å; I377-I426 HydrophobicContact CD1-CD1 3.66Å; I377-I426 HydrophobicContact CD1-CG1 4.34Å; I377-I426 HydrophobicContact CG1-CD1 4.47Å; L407-I426 HydrophobicContact CB-CG2 3.77Å; L407-I426 HydrophobicContact CD2-CG2 4.41Å; I426-I448 HydrophobicContact CD1-CD1 3.84Å
427	G	98.6	Very high	94.5	Very high	2 Å²	2	28.5 Å²	28.5	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	163.8	-177.5	0	0	0	0	0	113.4	L57 H373	L57-G427 PolarHBondContact O-N 3.16Å; H373-G427 VanDerWaalsContact O-CA 3.25Å; H373-G427 WeakPolarHBondContact O-CA 3.47Å
428	T	98.8	Very high	95.4	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	16%	0.164	C	C	.	.	S	Bend	trans	-101.7	-13.2	-174	64.7	0	0	0	0	117.4	V347 N350 A351 L354 H373 A430 T432 F441	V347-T428 WeakPolarHBondContact CG1-OG1 3.46Å; V347-T428 PolarHBondContact O-OG1 3.39Å; N350-T428 HydrophobicContact CB-CG2 4.1Å; A351-T428 VanDerWaalsContact CA-CG2 3.48Å; A351-T428 HydrophobicContact CB-CG2 3.83Å; L354-T428 HydrophobicContact CD2-CG2 4.27Å; H373-T428 PolarHBondContact O-N 3Å; H373-T428 PolarHBondContact O-OG1 3.29Å; T428-A430 PolarHBondContact O-N 3.18Å; T428-T432 VanDerWaalsContact O-CB 3.29Å; T428-T432 WeakPolarHBondContact O-CB 3.29Å; T428-T432 PolarHBondContact O-N 2.8Å; T428-T432 PolarHBondContact O-OG1 3.05Å; T428-F441 VanDerWaalsContact CB-CZ 3.47Å; T428-F441 HydrophobicContact CG2-CD1 4.01Å; T428-F441 HydrophobicContact CG2-CE1 3.43Å; T428-F441 VanDerWaalsContact CG2-CE1 3.43Å; T428-F441 HydrophobicContact CG2-CE2 4.35Å; T428-F441 HydrophobicContact CG2-CZ 3.61Å
429	P	98.8	Very high	96.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56.4	-49.1	-172	-29.4	35.5	0	0	0	115.4	T272 Y343 V347 H373 T432 T433	T272-P429 HydrophobicContact CG2-CG 3.84Å; Y343-P429 PolarHBondContact OH-O 3.44Å; V347-P429 HydrophobicContact CG1-CG 4.21Å; H373-P429 HydrophobicContact CB-CG 3.91Å; H373-P429 VanDerWaalsContact CD2-CG 3.45Å; H373-P429 WeakPolarHBondContact CD2-CG 3.41Å; P429-T432 PolarHBondContact O-N 3.03Å; P429-T433 WeakPolarHBondContact O-CB 3.44Å; P429-T433 PolarHBondContact O-N 2.79Å; P429-T433 PolarHBondContact O-OG1 2.88Å; P429-T433 VanDerWaalsContact O-OG1 3.07Å
430	A	98.6	Very high	97.2	Very high	2 Å²	2	28.5 Å²	28.5	2%	0.017	14%	0.144	C	C	.	.	H	α-helix	trans	-63.9	-49.6	-174.2	0	0	0	0	0	112.3	E56 F63 T428 T433 R434	E56-A430 HydrophobicContact CB-CB 4.1Å; E56-A430 HydrophobicContact CG-CB 4.06Å; F63-A430 HydrophobicContact CD2-CB 4.21Å; F63-A430 WeakPolarHBondContact CD2-O 3.48Å; F63-A430 HydrophobicContact CE2-CB 3.8Å; F63-A430 WeakPolarHBondContact CE2-O 3.48Å; T428-A430 PolarHBondContact O-N 3.18Å; A430-T433 WeakPolarHBondContact O-CB 3.17Å; A430-T433 PolarHBondContact O-N 3.08Å; A430-R434 PolarHBondContact O-N 3.48Å
431	L	98.7	Very high	97.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-69	-35.1	177.9	-64.7	-177.9	0	0	0	112.6	L55 L57 T433 R434 G435 F436 F441	L55-L431 HydrophobicContact CB-CD1 4.23Å; L55-L431 HydrophobicContact CD2-CD1 4.04Å; L55-L431 HydrophobicContact CD2-CD2 4.35Å; L57-L431 HydrophobicContact CD2-CD1 3.63Å; L57-L431 HydrophobicContact CG-CD1 4.28Å; L431-T433 VanDerWaalsContact C-N 3.27Å; L431-T433 PolarHBondContact O-N 2.78Å; L431-R434 CarbonylContact O-C 3.5Å; L431-R434 WeakPolarHBondContact O-CA 3.38Å; L431-R434 WeakPolarHBondContact O-CB 3.37Å; L431-R434 PolarHBondContact O-N 3.04Å; L431-G435 PolarHBondContact O-N 3.45Å; L431-F436 HydrophobicContact CB-CB 4.11Å; L431-F436 HydrophobicContact CB-CD1 3.99Å; L431-F436 HydrophobicContact CB-CD2 3.95Å; L431-F436 HydrophobicContact CB-CE1 4.42Å; L431-F436 HydrophobicContact CB-CE2 4.36Å; L431-F436 HydrophobicContact CB-CG 3.76Å; L431-F436 HydrophobicContact CD1-CD1 4.11Å; L431-F436 HydrophobicContact CD1-CE1 3.96Å; L431-F436 HydrophobicContact CD1-CZ 4.39Å; L431-F436 HydrophobicContact CD2-CD2 4.4Å; L431-F436 HydrophobicContact CD2-CE1 4.37Å; L431-F436 HydrophobicContact CD2-CE2 3.98Å; L431-F436 HydrophobicContact CD2-CZ 3.99Å; L431-F436 HydrophobicContact CG-CE1 4.48Å; L431-F436 WeakPolarHBondContact O-CB 3.37Å; L431-F436 VanDerWaalsContact O-CD2 3.28Å; L431-F436 WeakPolarHBondContact O-CD2 3.45Å; L431-F436 PolarHBondContact O-N 2.8Å; L431-F436 VanDerWaalsContact O-N 3.1Å; L431-F441 HydrophobicContact CB-CE2 4.26Å; L431-F441 HydrophobicContact CB-CZ 3.78Å; L431-F441 HydrophobicContact CD1-CE1 4.32Å; L431-F441 HydrophobicContact CD1-CZ 4.31Å
432	T	98.8	Very high	98.2	Very high	10 Å²	10	27.2 Å²	27.2	6%	0.061	14%	0.137	C	C	.	.	H	α-helix	trans	-62.4	-38.5	173.9	-53.6	0	0	0	0	111.1	Y343 Q346 V347 N350 T428 P429 R434 G435	Y343-T432 HydrophobicContact CD2-CG2 3.94Å; Y343-T432 HydrophobicContact CE2-CG2 3.93Å; Q346-T432 HydrophobicContact CB-CG2 3.88Å; Q346-T432 HydrophobicContact CG-CG2 3.65Å; V347-T432 HydrophobicContact CG2-CG2 3.71Å; N350-T432 PolarHBondContact ND2-OG1 3.17Å; T428-T432 VanDerWaalsContact O-CB 3.29Å; T428-T432 WeakPolarHBondContact O-CB 3.29Å; T428-T432 PolarHBondContact O-N 2.8Å; T428-T432 PolarHBondContact O-OG1 3.05Å; P429-T432 PolarHBondContact O-N 3.03Å; T432-R434 PolarHBondContact O-N 2.98Å; T432-G435 PolarHBondContact O-N 3.29Å
433	T	98.5	Very high	98.4	Very high	22 Å²	22	31.8 Å²	31.8	14%	0.135	16%	0.157	C	C	.	.	H	α-helix	trans	-61.6	-29.3	173.5	-70.3	0	0	0	0	112.2	N62 F63 Y343 P429 A430 L431 G435 P499	N62-T433 WeakPolarHBondContact OD1-CB 3.05Å; N62-T433 PolarHBondContact OD1-OG1 3.11Å; F63-T433 HydrophobicContact CB-CG2 3.96Å; F63-T433 HydrophobicContact CD2-CG2 4.31Å; Y343-T433 WeakPolarHBondContact CE2-OG1 3.21Å; Y343-T433 PolarHBondContact OH-OG1 3.36Å; Y343-T433 VanDerWaalsContact OH-OG1 3.12Å; P429-T433 WeakPolarHBondContact O-CB 3.44Å; P429-T433 PolarHBondContact O-N 2.79Å; P429-T433 PolarHBondContact O-OG1 2.88Å; P429-T433 VanDerWaalsContact O-OG1 3.07Å; A430-T433 WeakPolarHBondContact O-CB 3.17Å; A430-T433 PolarHBondContact O-N 3.08Å; L431-T433 VanDerWaalsContact C-N 3.27Å; L431-T433 PolarHBondContact O-N 2.78Å; T433-G435 VanDerWaalsContact C-N 3.27Å; T433-G435 PolarHBondContact O-N 2.78Å; T433-P499 HydrophobicContact CG2-CG 3.76Å
434	R	98.1	Very high	98.5	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.008	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-1.9	173	-62.3	-174	65.7	-167.5	-3.5	114	Q51 R52 F63 A430 L431 T432 F436 A493 F496 P497	Q51-R434 PolarHBondContact O-NH1 3.27Å; R52-R434 PolarHBondContact O-NH1 3.42Å; R52-R434 PolarHBondContact O-NH2 3.03Å; F63-R434 HydrophobicContact CD2-CG 3.81Å; F63-R434 HydrophobicContact CE2-CG 3.63Å; A430-R434 PolarHBondContact O-N 3.48Å; L431-R434 CarbonylContact O-C 3.5Å; L431-R434 WeakPolarHBondContact O-CA 3.38Å; L431-R434 WeakPolarHBondContact O-CB 3.37Å; L431-R434 PolarHBondContact O-N 3.04Å; T432-R434 PolarHBondContact O-N 2.98Å; R434-F436 HydrophobicContact CB-CD2 4.29Å; R434-F436 HydrophobicContact CB-CE2 4.48Å; R434-A493 PolarHBondContact NH1-O 2.82Å; R434-A493 PolarHBondContact NH2-O 3.35Å; R434-F496 HydrophobicContact CB-CB 4.27Å; R434-F496 PolarHBondContact NH2-O 3.48Å; R434-P497 WeakPolarHBondContact CB-O 3.29Å; R434-P497 WeakPolarHBondContact CG-O 3.32Å; R434-P497 PolarHBondContact NE-O 3.49Å; R434-P497 WeakPolarHBondContact O-CD 3.34Å; R434-P497 WeakPolarHBondContact O-CG 3.45Å
435	G	98.3	Very high	98.6	Very high	39 Å²	39	31.8 Å²	31.8	40%	0.402	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.5	5.2	177.1	0	0	0	0	0	115.4	L431 T432 T433	L431-G435 PolarHBondContact O-N 3.45Å; T432-G435 PolarHBondContact O-N 3.29Å; T433-G435 VanDerWaalsContact C-N 3.27Å; T433-G435 PolarHBondContact O-N 2.78Å
436	F	98.6	Very high	98.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.			trans	-59.9	140.5	176.9	-79.2	-127.8	0	0	0	111.3	L55 N350 L431 R434 D440 F441 F492 F496	L55-F436 HydrophobicContact CD2-CE1 3.77Å; L55-F436 HydrophobicContact CD2-CZ 3.7Å; N350-F436 PolarHBondContact ND2-O 3.07Å; L431-F436 HydrophobicContact CB-CB 4.11Å; L431-F436 HydrophobicContact CB-CD1 3.99Å; L431-F436 HydrophobicContact CB-CD2 3.95Å; L431-F436 HydrophobicContact CB-CE1 4.42Å; L431-F436 HydrophobicContact CB-CE2 4.36Å; L431-F436 HydrophobicContact CB-CG 3.76Å; L431-F436 HydrophobicContact CD1-CD1 4.11Å; L431-F436 HydrophobicContact CD1-CE1 3.96Å; L431-F436 HydrophobicContact CD1-CZ 4.39Å; L431-F436 HydrophobicContact CD2-CD2 4.4Å; L431-F436 HydrophobicContact CD2-CE1 4.37Å; L431-F436 HydrophobicContact CD2-CE2 3.98Å; L431-F436 HydrophobicContact CD2-CZ 3.99Å; L431-F436 HydrophobicContact CG-CE1 4.48Å; L431-F436 WeakPolarHBondContact O-CB 3.37Å; L431-F436 VanDerWaalsContact O-CD2 3.28Å; L431-F436 WeakPolarHBondContact O-CD2 3.45Å; L431-F436 PolarHBondContact O-N 2.8Å; L431-F436 VanDerWaalsContact O-N 3.1Å; R434-F436 HydrophobicContact CB-CD2 4.29Å; R434-F436 HydrophobicContact CB-CE2 4.48Å; F436-D440 HydrophobicContact CB-CB 4.05Å; F436-D440 HydrophobicContact CD1-CB 3.47Å; F436-D440 VanDerWaalsContact CD1-CB 3.47Å; F436-D440 HydrophobicContact CE1-CB 4.15Å; F436-D440 HydrophobicContact CG-CB 3.94Å; F436-F441 HydrophobicContact CB-CD2 4.07Å; F436-F441 HydrophobicContact CB-CE2 3.69Å; F436-F441 HydrophobicContact CD1-CE2 4.48Å; F436-F441 HydrophobicContact CG-CE2 4.5Å; F436-F492 HydrophobicContact CE1-CD1 4.47Å; F436-F492 AromaticContact CE1-CE1 3.64Å; F436-F492 HydrophobicContact CE1-CE1 3.64Å; F436-F492 HydrophobicContact CE1-CZ 4.05Å; F436-F492 HydrophobicContact CZ-CE1 4.11Å; F436-F496 HydrophobicContact CD2-CB 4.39Å; F436-F496 AromaticContact CD2-CD1 3.55Å; F436-F496 HydrophobicContact CD2-CD1 3.55Å; F436-F496 AromaticContact CD2-CD2 3.99Å; F436-F496 HydrophobicContact CD2-CD2 3.99Å; F436-F496 AromaticContact CD2-CE1 3.69Å; F436-F496 HydrophobicContact CD2-CE1 3.69Å; F436-F496 HydrophobicContact CD2-CE2 4.12Å; F436-F496 AromaticContact CD2-CG 3.72Å; F436-F496 HydrophobicContact CD2-CG 3.72Å; F436-F496 AromaticContact CD2-CZ 3.98Å; F436-F496 HydrophobicContact CD2-CZ 3.98Å; F436-F496 HydrophobicContact CE1-CE2 4.21Å; F436-F496 HydrophobicContact CE1-CZ 4.45Å; F436-F496 HydrophobicContact CE2-CB 3.88Å; F436-F496 AromaticContact CE2-CD1 3.66Å; F436-F496 HydrophobicContact CE2-CD1 3.66Å; F436-F496 AromaticContact CE2-CD2 3.22Å; F436-F496 HydrophobicContact CE2-CD2 3.22Å; F436-F496 AromaticContact CE2-CE1 3.95Å; F436-F496 HydrophobicContact CE2-CE1 3.95Å; F436-F496 AromaticContact CE2-CE2 3.56Å; F436-F496 HydrophobicContact CE2-CE2 3.56Å; F436-F496 AromaticContact CE2-CG 3.29Å; F436-F496 HydrophobicContact CE2-CG 3.29Å; F436-F496 AromaticContact CE2-CZ 3.91Å; F436-F496 HydrophobicContact CE2-CZ 3.91Å; F436-F496 HydrophobicContact CG-CD1 4.46Å; F436-F496 HydrophobicContact CG-CE1 4.17Å; F436-F496 HydrophobicContact CG-CZ 4.29Å; F436-F496 AromaticContact CZ-CD2 3.59Å; F436-F496 HydrophobicContact CZ-CD2 3.59Å; F436-F496 AromaticContact CZ-CE2 3.59Å; F436-F496 HydrophobicContact CZ-CE2 3.59Å; F436-F496 HydrophobicContact CZ-CG 4.14Å; F436-F496 HydrophobicContact CZ-CZ 4.13Å
437	K	98.8	Very high	98.6	Very high	98 Å²	98	33.4 Å²	33.4	43%	0.426	17%	0.17	S	C	.	.			trans	-118	-178.6	175	-58.1	-60.2	-175.5	177.9	0	110.6	Q346 N350 K439 D440 F441	Q346-K437 HydrophobicContact CG-CD 3.92Å; N350-K437 WeakPolarHBondContact OD1-CA 3.41Å; K437-K439 VanDerWaalsContact C-N 3.33Å; K437-K439 PolarHBondContact O-N 2.97Å; K437-D440 PolarHBondContact N-OD2 3.46Å; K437-D440 WeakPolarHBondContact O-CA 3.32Å; K437-D440 WeakPolarHBondContact O-CB 3.14Å; K437-D440 PolarHBondContact O-N 3.37Å; K437-F441 PolarHBondContact O-N 3.18Å; K437-F441 VanDerWaalsContact O-N 3.08Å
438	E	98.8	Very high	98.6	Very high	74 Å²	74	33.4 Å²	33.4	35%	0.346	17%	0.17	S	C	.	.	H	α-helix	trans	-55	-46	-172.1	-64.7	90.8	148.8	0	0	112.1	Q346 A349 N350 A353 D440 F441 E442	Q346-E438 PolarHBondContact NE2-OE1 2.85Å; Q346-E438 PolarHBondContact NE2-OE2 2.7Å; A349-E438 HydrophobicContact CB-CG 4.42Å; N350-E438 PolarHBondContact OD1-N 2.99Å; N350-E438 VanDerWaalsContact OD1-N 3.1Å; A353-E438 HydrophobicContact CB-CB 3.69Å; A353-E438 HydrophobicContact CB-CG 3.87Å; E438-D440 VanDerWaalsContact C-N 3.29Å; E438-D440 PolarHBondContact O-N 3.09Å; E438-F441 CarbonylContact O-C 3.58Å; E438-F441 WeakPolarHBondContact O-CA 3.3Å; E438-F441 WeakPolarHBondContact O-CB 3.4Å; E438-F441 PolarHBondContact O-N 2.99Å; E438-F441 VanDerWaalsContact O-N 3.1Å; E438-E442 PolarHBondContact O-N 2.85Å
439	K	98.7	Very high	98.6	Very high	165 Å²	165	34.6 Å²	34.6	72%	0.717	18%	0.176	S	C	*	.	H	α-helix	trans	-63	-33.5	176.9	-67.7	-173.3	178.3	-178.6	0	113.3	K437 F441 E442 K443	K437-K439 VanDerWaalsContact C-N 3.33Å; K437-K439 PolarHBondContact O-N 2.97Å; K439-F441 VanDerWaalsContact C-N 3.3Å; K439-E442 WeakPolarHBondContact O-CB 3.28Å; K439-E442 PolarHBondContact O-N 3.24Å; K439-K443 PolarHBondContact O-N 3.05Å
440	D	98.8	Very high	98.6	Very high	37 Å²	37	38 Å²	38	20%	0.198	19%	0.192	C	C	.	.	H	α-helix	trans	-71.1	-33	176.9	-52.7	-51.9	0	0	0	110.6	F436 K437 E438 K443 A444 F492 F496	F436-D440 HydrophobicContact CB-CB 4.05Å; F436-D440 HydrophobicContact CD1-CB 3.47Å; F436-D440 VanDerWaalsContact CD1-CB 3.47Å; F436-D440 HydrophobicContact CE1-CB 4.15Å; F436-D440 HydrophobicContact CG-CB 3.94Å; K437-D440 PolarHBondContact N-OD2 3.46Å; K437-D440 WeakPolarHBondContact O-CA 3.32Å; K437-D440 WeakPolarHBondContact O-CB 3.14Å; K437-D440 PolarHBondContact O-N 3.37Å; E438-D440 VanDerWaalsContact C-N 3.29Å; E438-D440 PolarHBondContact O-N 3.09Å; D440-K443 WeakPolarHBondContact O-CB 3.42Å; D440-K443 PolarHBondContact O-N 3.44Å; D440-A444 PolarHBondContact O-N 3.39Å; D440-F492 HydrophobicContact CB-CZ 4.03Å; D440-F496 HydrophobicContact CB-CZ 4.2Å
441	F	98.8	Very high	98.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-74.2	-32	172.9	-88.1	-79.5	0	0	0	113.5	L57 N350 L354 T428 L431 F436 K437 E438 K439 K443 A444 A445	L57-F441 HydrophobicContact CD2-CE1 4.05Å; N350-F441 HydrophobicContact CB-CD2 3.46Å; N350-F441 VanDerWaalsContact CB-CD2 3.46Å; N350-F441 HydrophobicContact CB-CE2 3.53Å; N350-F441 HydrophobicContact CB-CG 4.13Å; N350-F441 HydrophobicContact CB-CZ 4.25Å; N350-F441 VanDerWaalsContact CG-CD2 3.41Å; N350-F441 VanDerWaalsContact ND2-CE2 3.29Å; N350-F441 WeakPolarHBondContact ND2-CE2 3.36Å; L354-F441 HydrophobicContact CB-CB 4.25Å; L354-F441 HydrophobicContact CB-CD1 4Å; L354-F441 HydrophobicContact CB-CG 4.47Å; L354-F441 HydrophobicContact CD1-CD1 4.35Å; L354-F441 HydrophobicContact CD2-CD1 3.87Å; L354-F441 HydrophobicContact CD2-CE1 4.17Å; L354-F441 HydrophobicContact CG-CD1 4.29Å; T428-F441 VanDerWaalsContact CB-CZ 3.47Å; T428-F441 HydrophobicContact CG2-CD1 4.01Å; T428-F441 HydrophobicContact CG2-CE1 3.43Å; T428-F441 VanDerWaalsContact CG2-CE1 3.43Å; T428-F441 HydrophobicContact CG2-CE2 4.35Å; T428-F441 HydrophobicContact CG2-CZ 3.61Å; L431-F441 HydrophobicContact CB-CE2 4.26Å; L431-F441 HydrophobicContact CB-CZ 3.78Å; L431-F441 HydrophobicContact CD1-CE1 4.32Å; L431-F441 HydrophobicContact CD1-CZ 4.31Å; F436-F441 HydrophobicContact CB-CD2 4.07Å; F436-F441 HydrophobicContact CB-CE2 3.69Å; F436-F441 HydrophobicContact CD1-CE2 4.48Å; F436-F441 HydrophobicContact CG-CE2 4.5Å; K437-F441 PolarHBondContact O-N 3.18Å; K437-F441 VanDerWaalsContact O-N 3.08Å; E438-F441 CarbonylContact O-C 3.58Å; E438-F441 WeakPolarHBondContact O-CA 3.3Å; E438-F441 WeakPolarHBondContact O-CB 3.4Å; E438-F441 PolarHBondContact O-N 2.99Å; E438-F441 VanDerWaalsContact O-N 3.1Å; K439-F441 VanDerWaalsContact C-N 3.3Å; F441-K443 VanDerWaalsContact C-N 3.29Å; F441-A444 PolarHBondContact O-N 2.86Å; F441-A445 PolarHBondContact O-N 3.06Å
442	E	98.6	Very high	98.6	Very high	104 Å²	104	38 Å²	38	49%	0.486	19%	0.192	S	C	.	.	H	α-helix	trans	-60.7	-42.1	166.1	-68.3	169.5	-171.5	0	0	110.6	A357 E438 K439 A445 S446	A357-E442 HydrophobicContact CB-CB 4.5Å; A357-E442 HydrophobicContact CB-CG 4.23Å; E438-E442 PolarHBondContact O-N 2.85Å; K439-E442 WeakPolarHBondContact O-CB 3.28Å; K439-E442 PolarHBondContact O-N 3.24Å; E442-A445 WeakPolarHBondContact O-CB 3.41Å; E442-A445 PolarHBondContact O-N 3.3Å; E442-S446 PolarHBondContact O-N 3.46Å; E442-S446 VanDerWaalsContact O-N 3.09Å
443	K	98.6	Very high	98.5	Very high	96 Å²	96	40.8 Å²	40.8	42%	0.417	21%	0.206	S	C	.	.	H	α-helix	trans	-64.6	-42.2	174	-174	64.9	-173.7	167.4	0	111.8	K439 D440 F441 A445 S446 F447 F492	K439-K443 PolarHBondContact O-N 3.05Å; D440-K443 WeakPolarHBondContact O-CB 3.42Å; D440-K443 PolarHBondContact O-N 3.44Å; F441-K443 VanDerWaalsContact C-N 3.29Å; K443-A445 VanDerWaalsContact C-N 3.3Å; K443-A445 PolarHBondContact O-N 2.82Å; K443-S446 WeakPolarHBondContact O-CB 3.1Å; K443-S446 PolarHBondContact O-N 3.38Å; K443-S446 VanDerWaalsContact O-N 3.14Å; K443-S446 PolarHBondContact O-OG 2.91Å; K443-F447 HydrophobicContact CD-CE2 4.31Å; K443-F447 HydrophobicContact CG-CD2 4.25Å; K443-F447 HydrophobicContact CG-CE2 3.85Å; K443-F447 WeakPolarHBondContact O-CD2 3.4Å; K443-F447 PolarHBondContact O-N 3.12Å; K443-F447 VanDerWaalsContact O-N 3.14Å; K443-F492 HydrophobicContact CB-CE1 4.21Å; K443-F492 HydrophobicContact CB-CE2 4.45Å; K443-F492 HydrophobicContact CB-CZ 3.86Å; K443-F492 HydrophobicContact CG-CD1 4.38Å; K443-F492 HydrophobicContact CG-CD2 4.44Å; K443-F492 HydrophobicContact CG-CE1 3.94Å; K443-F492 HydrophobicContact CG-CE2 4.04Å; K443-F492 HydrophobicContact CG-CZ 3.77Å
444	A	98.6	Very high	98.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.4	-40.1	173.2	0	0	0	0	0	111.8	L55 D440 F441 S446 F447 I448	L55-A444 HydrophobicContact CD1-CB 4.35Å; D440-A444 PolarHBondContact O-N 3.39Å; F441-A444 PolarHBondContact O-N 2.86Å; A444-S446 VanDerWaalsContact C-N 3.31Å; A444-S446 PolarHBondContact O-N 3.42Å; A444-F447 PolarHBondContact O-N 2.75Å; A444-I448 WeakPolarHBondContact O-CG1 3.39Å; A444-I448 PolarHBondContact O-N 3.46Å
445	A	98.7	Very high	98.5	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-59.2	-40.8	174	0	0	0	0	0	112	L354 A357 L358 F441 E442 K443 F447 I448 D449	L354-A445 HydrophobicContact CD1-CB 3.91Å; A357-A445 HydrophobicContact CB-CB 3.55Å; L358-A445 HydrophobicContact CD2-CB 4.05Å; L358-A445 HydrophobicContact CG-CB 4.1Å; F441-A445 PolarHBondContact O-N 3.06Å; E442-A445 WeakPolarHBondContact O-CB 3.41Å; E442-A445 PolarHBondContact O-N 3.3Å; K443-A445 VanDerWaalsContact C-N 3.3Å; K443-A445 PolarHBondContact O-N 2.82Å; A445-F447 PolarHBondContact O-N 3.49Å; A445-I448 PolarHBondContact O-N 3.2Å; A445-D449 PolarHBondContact O-N 3.18Å
446	S	98.6	Very high	98.5	Very high	45 Å²	45	39.4 Å²	39.4	32%	0.315	19%	0.19	S	C	.	.	H	α-helix	trans	-63.5	-38.1	175.5	77.3	0	0	0	0	113	E442 K443 A444 D449 E450	E442-S446 PolarHBondContact O-N 3.46Å; E442-S446 VanDerWaalsContact O-N 3.09Å; K443-S446 WeakPolarHBondContact O-CB 3.1Å; K443-S446 PolarHBondContact O-N 3.38Å; K443-S446 VanDerWaalsContact O-N 3.14Å; K443-S446 PolarHBondContact O-OG 2.91Å; A444-S446 VanDerWaalsContact C-N 3.31Å; A444-S446 PolarHBondContact O-N 3.42Å; S446-D449 PolarHBondContact O-N 3.09Å; S446-E450 PolarHBondContact O-N 3.12Å; S446-E450 VanDerWaalsContact O-N 3.1Å
447	F	98.7	Very high	98.4	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.018	21%	0.205	C	C	.	.	H	α-helix	trans	-69.1	-36.7	175	-74.3	-55.4	0	0	0	112.3	L55 I405 K443 A444 A445 D449 L451 L485 R488 V489 F492	L55-F447 HydrophobicContact CD1-CB 4.46Å; L55-F447 HydrophobicContact CD1-CD2 3.95Å; I405-F447 HydrophobicContact CD1-CB 3.86Å; K443-F447 HydrophobicContact CD-CE2 4.31Å; K443-F447 HydrophobicContact CG-CD2 4.25Å; K443-F447 HydrophobicContact CG-CE2 3.85Å; K443-F447 WeakPolarHBondContact O-CD2 3.4Å; K443-F447 PolarHBondContact O-N 3.12Å; K443-F447 VanDerWaalsContact O-N 3.14Å; A444-F447 PolarHBondContact O-N 2.75Å; A445-F447 PolarHBondContact O-N 3.49Å; F447-D449 VanDerWaalsContact C-N 3.34Å; F447-L451 WeakPolarHBondContact O-CB 3.48Å; F447-L451 PolarHBondContact O-N 3.29Å; F447-L485 HydrophobicContact CD1-CD1 3.76Å; F447-L485 HydrophobicContact CE1-CD1 4.26Å; F447-R488 HydrophobicContact CE1-CB 4.02Å; F447-R488 HydrophobicContact CZ-CB 4.38Å; F447-V489 HydrophobicContact CB-CG2 4.39Å; F447-V489 HydrophobicContact CD1-CG2 3.77Å; F447-V489 HydrophobicContact CD2-CG2 4.43Å; F447-V489 HydrophobicContact CE1-CG2 4.02Å; F447-V489 HydrophobicContact CG-CG2 3.98Å; F447-V489 HydrophobicContact CZ-CG2 4.45Å; F447-F492 HydrophobicContact CD2-CD1 4.23Å; F447-F492 HydrophobicContact CE2-CB 3.99Å; F447-F492 AromaticContact CE2-CD1 3.58Å; F447-F492 HydrophobicContact CE2-CD1 3.58Å; F447-F492 HydrophobicContact CE2-CE1 4.27Å; F447-F492 AromaticContact CE2-CG 3.91Å; F447-F492 HydrophobicContact CE2-CG 3.91Å; F447-F492 HydrophobicContact CZ-CB 4.23Å
448	I	98.6	Very high	98.3	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-63.3	-43.7	173	-66.8	165.7	0	0	0	109.9	L57 L354 L358 I405 I426 A444 A445 E450 L451 L452	L57-I448 HydrophobicContact CD1-CD1 3.8Å; L57-I448 HydrophobicContact CD1-CG1 4.25Å; L354-I448 HydrophobicContact CD1-CD1 4.3Å; L358-I448 HydrophobicContact CD2-CB 4.35Å; L358-I448 HydrophobicContact CD2-CG2 4.07Å; I405-I448 HydrophobicContact CG2-CG1 4.29Å; I426-I448 HydrophobicContact CD1-CD1 3.84Å; A444-I448 WeakPolarHBondContact O-CG1 3.39Å; A444-I448 PolarHBondContact O-N 3.46Å; A445-I448 PolarHBondContact O-N 3.2Å; I448-E450 PolarHBondContact O-N 3.02Å; I448-L451 WeakPolarHBondContact O-CB 3.36Å; I448-L451 PolarHBondContact O-N 3.11Å; I448-L452 HydrophobicContact CG2-CD1 4.36Å; I448-L452 HydrophobicContact CG2-CG 4.4Å; I448-L452 VanDerWaalsContact O-CG 3.3Å; I448-L452 WeakPolarHBondContact O-CG 3.48Å; I448-L452 PolarHBondContact O-N 3.45Å
449	D	98.4	Very high	98.2	Very high	27 Å²	27	35.9 Å²	35.9	14%	0.144	18%	0.177	C	C	.	.	H	α-helix	trans	-59.9	-45.1	178.7	-166.5	57.2	0	0	0	112.5	L361 K385 A445 S446 F447 L451 L452 D453	L361-D449 HydrophobicContact CD1-CB 3.88Å; K385-D449 WeakPolarHBondContact CE-OD1 3.28Å; K385-D449 IonicContact NZ-OD1 3.23Å; K385-D449 PolarHBondContact NZ-OD1 3.43Å; K385-D449 IonicContact NZ-OD2 3.67Å; K385-D449 PolarHBondContact NZ-OD2 2.8Å; A445-D449 PolarHBondContact O-N 3.18Å; S446-D449 PolarHBondContact O-N 3.09Å; F447-D449 VanDerWaalsContact C-N 3.34Å; D449-L451 PolarHBondContact O-N 3.2Å; D449-L452 WeakPolarHBondContact O-CB 3.24Å; D449-L452 PolarHBondContact O-N 3.2Å; D449-L452 VanDerWaalsContact O-N 3.16Å; D449-D453 PolarHBondContact O-N 3.25Å
450	E	98.4	Very high	98	Very high	72 Å²	72	32.2 Å²	32.2	34%	0.336	17%	0.173	S	C	.	.	H	α-helix	trans	-64.8	-37.9	175.3	-169.2	176	-179.9	0	0	112.4	S446 I448 L452 D453 L454 L485 R488	S446-E450 PolarHBondContact O-N 3.12Å; S446-E450 VanDerWaalsContact O-N 3.1Å; I448-E450 PolarHBondContact O-N 3.02Å; E450-L452 VanDerWaalsContact C-N 3.33Å; E450-L452 PolarHBondContact O-N 3.04Å; E450-D453 PolarHBondContact O-N 3.44Å; E450-L454 WeakPolarHBondContact O-CB 3.25Å; E450-L454 PolarHBondContact O-N 2.69Å; E450-L485 HydrophobicContact CG-CD1 4.44Å; E450-L485 HydrophobicContact CG-CD2 4.28Å; E450-R488 VanDerWaalsContact CD-NH2 3.31Å; E450-R488 IonicContact OE1-CZ 3.91Å; E450-R488 IonicContact OE1-NH1 3.54Å; E450-R488 IonicContact OE1-NH2 2.77Å; E450-R488 PolarHBondContact OE1-NH2 3.05Å; E450-R488 IonicContact OE2-CZ 2.86Å; E450-R488 IonicContact OE2-NH1 3.43Å; E450-R488 PolarHBondContact OE2-NH1 3.14Å; E450-R488 IonicContact OE2-NH2 3.26Å; E450-R488 PolarHBondContact OE2-NH2 2.95Å
451	L	98.6	Very high	97.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.9	-42.2	171.3	164.7	66.7	0	0	0	111.6	V396 I399 V403 I405 L407 F447 I448 D449 L454 T455	V396-L451 HydrophobicContact CG1-CD2 3.87Å; V396-L451 HydrophobicContact CG1-CG 4.03Å; I399-L451 HydrophobicContact CB-CD1 3.62Å; I399-L451 HydrophobicContact CG2-CD1 3.36Å; V403-L451 HydrophobicContact CG2-CD1 4.14Å; I405-L451 HydrophobicContact CB-CD2 4.22Å; I405-L451 HydrophobicContact CD1-CB 4.1Å; I405-L451 HydrophobicContact CD1-CD2 4.15Å; I405-L451 HydrophobicContact CG2-CD2 4.13Å; L407-L451 HydrophobicContact CD2-CD2 4.04Å; F447-L451 WeakPolarHBondContact O-CB 3.48Å; F447-L451 PolarHBondContact O-N 3.29Å; I448-L451 WeakPolarHBondContact O-CB 3.36Å; I448-L451 PolarHBondContact O-N 3.11Å; D449-L451 PolarHBondContact O-N 3.2Å; L451-L454 PolarHBondContact O-N 2.67Å; L451-T455 WeakPolarHBondContact O-CB 3.45Å; L451-T455 PolarHBondContact O-N 3.12Å; L451-T455 PolarHBondContact O-OG1 2.99Å
452	L	98.4	Very high	97.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.7	-41	176.6	-65.3	-179.5	0	0	0	111.3	I363 L379 K385 L388 V396 L424 I448 D449 E450 T455 V456	I363-L452 HydrophobicContact CD1-CD1 3.59Å; I363-L452 HydrophobicContact CG1-CD1 4.32Å; L379-L452 HydrophobicContact CD2-CD1 4.26Å; L379-L452 HydrophobicContact CD2-CD2 3.72Å; K385-L452 HydrophobicContact CD-CB 4Å; K385-L452 HydrophobicContact CG-CB 4.11Å; K385-L452 HydrophobicContact CG-CD1 4.09Å; L388-L452 HydrophobicContact CD1-CB 4.14Å; L388-L452 HydrophobicContact CD1-CD2 3.84Å; L388-L452 HydrophobicContact CD1-CG 4.4Å; V396-L452 HydrophobicContact CB-CD2 4.37Å; V396-L452 HydrophobicContact CG1-CD2 3.77Å; V396-L452 HydrophobicContact CG2-CD2 3.62Å; L424-L452 HydrophobicContact CD1-CD2 4.29Å; I448-L452 HydrophobicContact CG2-CD1 4.36Å; I448-L452 HydrophobicContact CG2-CG 4.4Å; I448-L452 VanDerWaalsContact O-CG 3.3Å; I448-L452 WeakPolarHBondContact O-CG 3.48Å; I448-L452 PolarHBondContact O-N 3.45Å; D449-L452 WeakPolarHBondContact O-CB 3.24Å; D449-L452 PolarHBondContact O-N 3.2Å; D449-L452 VanDerWaalsContact O-N 3.16Å; E450-L452 VanDerWaalsContact C-N 3.33Å; E450-L452 PolarHBondContact O-N 3.04Å; L452-T455 WeakPolarHBondContact O-CB 3.24Å; L452-T455 PolarHBondContact O-N 2.93Å; L452-V456 WeakPolarHBondContact O-CG2 3.22Å; L452-V456 PolarHBondContact O-N 3.34Å
453	D	98.1	Very high	97.3	Very high	70 Å²	70	40.1 Å²	40.1	37%	0.374	21%	0.213	S	C	.	.	H	α-helix	trans	-63.8	-44.2	175.2	-74.9	-23.6	0	0	0	112.3	K385 D449 E450 T455 V456 V457	K385-D453 VanDerWaalsContact CD-OD1 3.31Å; K385-D453 WeakPolarHBondContact CD-OD1 3.02Å; K385-D453 WeakPolarHBondContact CE-OD1 2.94Å; K385-D453 IonicContact NZ-OD1 3.23Å; K385-D453 PolarHBondContact NZ-OD1 2.88Å; K385-D453 IonicContact NZ-OD2 2.87Å; K385-D453 PolarHBondContact NZ-OD2 3.27Å; D449-D453 PolarHBondContact O-N 3.25Å; E450-D453 PolarHBondContact O-N 3.44Å; D453-T455 VanDerWaalsContact C-N 3.27Å; D453-T455 PolarHBondContact O-N 3.35Å; D453-V456 WeakPolarHBondContact O-CB 3.25Å; D453-V456 PolarHBondContact O-N 2.89Å; D453-V456 VanDerWaalsContact O-N 3.13Å; D453-V457 WeakPolarHBondContact O-CG2 3.5Å; D453-V457 PolarHBondContact O-N 3.38Å
454	L	98	Very high	96.9	Very high	12 Å²	12	39.5 Å²	39.5	6%	0.063	21%	0.214	C	C	.	.	H	α-helix	trans	-60.1	-40.5	174.3	-177.7	56.3	0	0	0	111	I399 E450 L451 V456 V457 V458 I478 K481 I482 L485	I399-L454 HydrophobicContact CG2-CD2 3.75Å; I399-L454 HydrophobicContact CG2-CG 4.18Å; E450-L454 WeakPolarHBondContact O-CB 3.25Å; E450-L454 PolarHBondContact O-N 2.69Å; L451-L454 PolarHBondContact O-N 2.67Å; L454-V456 VanDerWaalsContact C-N 3.32Å; L454-V456 PolarHBondContact O-N 2.95Å; L454-V457 PolarHBondContact O-N 2.83Å; L454-V458 HydrophobicContact CD1-CG2 4.34Å; L454-V458 WeakPolarHBondContact O-CG2 3.21Å; L454-V458 PolarHBondContact O-N 2.93Å; L454-I478 HydrophobicContact CD1-CD1 4.44Å; L454-K481 HydrophobicContact CD1-CB 4Å; L454-K481 HydrophobicContact CD1-CD 4Å; L454-I482 HydrophobicContact CD2-CG1 3.86Å; L454-L485 HydrophobicContact CD2-CD2 4.43Å
455	T	97.8	Very high	96.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.4	-43	174.5	-56.3	0	0	0	0	111.9	L388 R395 V396 I399 L451 L452 D453 V457 V458 K459 F468	L388-T455 HydrophobicContact CD2-CG2 4.02Å; R395-T455 HydrophobicContact CB-CG2 3.9Å; V396-T455 HydrophobicContact CG2-CG2 3.81Å; I399-T455 HydrophobicContact CD1-CG2 4.37Å; L451-T455 WeakPolarHBondContact O-CB 3.45Å; L451-T455 PolarHBondContact O-N 3.12Å; L451-T455 PolarHBondContact O-OG1 2.99Å; L452-T455 WeakPolarHBondContact O-CB 3.24Å; L452-T455 PolarHBondContact O-N 2.93Å; D453-T455 VanDerWaalsContact C-N 3.27Å; D453-T455 PolarHBondContact O-N 3.35Å; T455-V457 VanDerWaalsContact C-N 3.34Å; T455-V457 PolarHBondContact O-N 2.84Å; T455-V458 PolarHBondContact O-N 2.99Å; T455-K459 WeakPolarHBondContact O-CB 3.38Å; T455-K459 PolarHBondContact O-N 3.27Å; T455-F468 HydrophobicContact CG2-CE2 4.47Å; T455-F468 HydrophobicContact CG2-CZ 4.15Å
456	V	97.4	Very high	96.3	Very high	21 Å²	21	49.8 Å²	49.8	13%	0.127	26%	0.261	C	S	.	.	H	α-helix	trans	-61.3	-42.7	175.8	166.9	0	0	0	0	111.4	K387 L388 L452 D453 L454 K459 S460	K387-V456 HydrophobicContact CB-CG1 3.69Å; K387-V456 HydrophobicContact CB-CG2 4.03Å; K387-V456 HydrophobicContact CD-CG1 3.55Å; K387-V456 HydrophobicContact CG-CG1 4.21Å; L388-V456 HydrophobicContact CD2-CG2 3.66Å; L388-V456 HydrophobicContact CG-CG2 3.76Å; L452-V456 WeakPolarHBondContact O-CG2 3.22Å; L452-V456 PolarHBondContact O-N 3.34Å; D453-V456 WeakPolarHBondContact O-CB 3.25Å; D453-V456 PolarHBondContact O-N 2.89Å; D453-V456 VanDerWaalsContact O-N 3.13Å; L454-V456 VanDerWaalsContact C-N 3.32Å; L454-V456 PolarHBondContact O-N 2.95Å; V456-K459 PolarHBondContact O-N 2.96Å; V456-S460 PolarHBondContact O-N 3.42Å
457	V	97	Very high	96.2	Very high	52 Å²	52	49 Å²	49	32%	0.315	26%	0.256	S	S	.	.	H	α-helix	trans	-61.9	-51.8	177.6	175.3	0	0	0	0	110.6	D453 L454 T455 K459 S460 I478	D453-V457 WeakPolarHBondContact O-CG2 3.5Å; D453-V457 PolarHBondContact O-N 3.38Å; L454-V457 PolarHBondContact O-N 2.83Å; T455-V457 VanDerWaalsContact C-N 3.34Å; T455-V457 PolarHBondContact O-N 2.84Å; V457-K459 VanDerWaalsContact C-N 3.31Å; V457-K459 PolarHBondContact O-N 3.27Å; V457-S460 WeakPolarHBondContact O-CB 3.49Å; V457-S460 PolarHBondContact O-N 2.98Å; V457-S460 VanDerWaalsContact O-N 3.12Å; V457-S460 PolarHBondContact O-OG 2.82Å; V457-I478 HydrophobicContact CG1-CD1 3.8Å
458	V	97.3	Very high	96	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.5	-40.6	179.8	-178.8	0	0	0	0	110.8	I399 L454 T455 S460 V461 S462 F468 V471 L472 I478	I399-V458 HydrophobicContact CD1-CB 4.26Å; I399-V458 HydrophobicContact CD1-CG2 4.02Å; L454-V458 HydrophobicContact CD1-CG2 4.34Å; L454-V458 WeakPolarHBondContact O-CG2 3.21Å; L454-V458 PolarHBondContact O-N 2.93Å; T455-V458 PolarHBondContact O-N 2.99Å; V458-S460 VanDerWaalsContact C-N 3.29Å; V458-S460 PolarHBondContact O-N 2.71Å; V458-V461 VanDerWaalsContact O-CG2 3.25Å; V458-V461 WeakPolarHBondContact O-CG2 3.46Å; V458-V461 PolarHBondContact O-N 3.23Å; V458-S462 WeakPolarHBondContact O-CB 3.31Å; V458-S462 PolarHBondContact O-N 3.43Å; V458-S462 PolarHBondContact O-OG 2.86Å; V458-F468 HydrophobicContact CB-CD2 4.24Å; V458-F468 HydrophobicContact CB-CE2 3.63Å; V458-F468 HydrophobicContact CB-CZ 3.97Å; V458-F468 HydrophobicContact CG1-CD1 4.32Å; V458-F468 HydrophobicContact CG1-CD2 3.55Å; V458-F468 HydrophobicContact CG1-CE1 4.19Å; V458-F468 HydrophobicContact CG1-CE2 3.38Å; V458-F468 HydrophobicContact CG1-CG 4.03Å; V458-F468 HydrophobicContact CG1-CZ 3.73Å; V458-V471 HydrophobicContact CG1-CB 4.22Å; V458-V471 HydrophobicContact CG1-CG1 3.86Å; V458-L472 HydrophobicContact CB-CD2 4.47Å; V458-L472 HydrophobicContact CG1-CD2 3.86Å; V458-L472 HydrophobicContact CG1-CG 4.23Å; V458-L472 HydrophobicContact CG2-CD2 3.92Å; V458-I478 HydrophobicContact CG2-CD1 3.89Å; V458-I478 HydrophobicContact CG2-CG1 4.23Å; V458-I478 HydrophobicContact CG2-CG2 3.63Å
459	K	95.9	Very high	95.9	Very high	46 Å²	46	52.7 Å²	52.7	20%	0.2	27%	0.273	C	S	.	.	H	α-helix	trans	-60.8	-38.1	176.4	-177.5	-177.2	175.3	-173.9	0	111.7	K387 S389 D392 T455 V456 V457 V461 S462 F468	K387-K459 PolarHBondContact O-NZ 3.15Å; S389-K459 PolarHBondContact OG-NZ 3.45Å; D392-K459 IonicContact OD1-NZ 2.81Å; D392-K459 IonicContact OD2-NZ 3.88Å; D392-K459 PolarHBondContact OD2-NZ 3.43Å; T455-K459 WeakPolarHBondContact O-CB 3.38Å; T455-K459 PolarHBondContact O-N 3.27Å; V456-K459 PolarHBondContact O-N 2.96Å; V457-K459 VanDerWaalsContact C-N 3.31Å; V457-K459 PolarHBondContact O-N 3.27Å; K459-V461 PolarHBondContact O-N 2.91Å; K459-S462 PolarHBondContact O-N 3.42Å; K459-S462 VanDerWaalsContact O-N 3.13Å; K459-F468 HydrophobicContact CB-CE2 4.19Å
460	S	95.7	Very high	95.8	Very high	88 Å²	88	54.7 Å²	54.7	62%	0.615	28%	0.284	S	S	*	.	H	α-helix	trans	-64.4	-24.1	-177.8	75.2	0	0	0	0	114.2	V456 V457 V458	V456-S460 PolarHBondContact O-N 3.42Å; V457-S460 WeakPolarHBondContact O-CB 3.49Å; V457-S460 PolarHBondContact O-N 2.98Å; V457-S460 VanDerWaalsContact O-N 3.12Å; V457-S460 PolarHBondContact O-OG 2.82Å; V458-S460 VanDerWaalsContact C-N 3.29Å; V458-S460 PolarHBondContact O-N 2.71Å
461	V	95.3	Very high	95.7	Very high	87 Å²	87	52.4 Å²	52.4	53%	0.527	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	3.3	177.8	-61.3	0	0	0	0	112.9	V458 K459 V471	V458-V461 VanDerWaalsContact O-CG2 3.25Å; V458-V461 WeakPolarHBondContact O-CG2 3.46Å; V458-V461 PolarHBondContact O-N 3.23Å; K459-V461 PolarHBondContact O-N 2.91Å; V461-V471 HydrophobicContact CG2-CG1 3.78Å; V461-V471 HydrophobicContact CG2-CG2 4.2Å
462	S	94.7	Very high	95.7	Very high	18 Å²	18	53.2 Å²	53.2	13%	0.126	28%	0.279	C	S	.	.			trans	-118.2	137.1	-175.5	-57.2	0	0	0	0	111.7	V458 K459 F468	V458-S462 WeakPolarHBondContact O-CB 3.31Å; V458-S462 PolarHBondContact O-N 3.43Å; V458-S462 PolarHBondContact O-OG 2.86Å; K459-S462 PolarHBondContact O-N 3.42Å; K459-S462 VanDerWaalsContact O-N 3.13Å; S462-F468 WeakPolarHBondContact OG-CA 3.4Å
463	K	90.5	Very high	95.5	Very high	202 Å²	202	59.3 Å²	59.3	88%	0.878	31%	0.307	S	S	*	.	S	Bend	trans	-87.6	-32.1	-178.3	-65.5	-178.8	-180	178.1	0	113.6	S467	K463-S467 PolarHBondContact N-OG 3.12Å
464	N	91.3	Very high	95.4	Very high	83 Å²	83	62.4 Å²	62.4	44%	0.444	32%	0.319	S	S	.	.	S	Bend	trans	-155.5	178.6	-174.1	59.1	34.9	0	0	0	109.7	K466 S467 F468	N464-K466 VanDerWaalsContact C-N 3.3Å; N464-K466 PolarHBondContact O-N 3.48Å; N464-K466 PolarHBondContact OD1-N 2.83Å; N464-S467 PolarHBondContact N-OG 3.01Å; N464-S467 PolarHBondContact O-N 2.91Å; N464-S467 PolarHBondContact O-OG 3.22Å; N464-S467 PolarHBondContact OD1-N 3.43Å; N464-S467 PolarHBondContact OD1-OG 3.15Å; N464-F468 WeakPolarHBondContact O-CB 3.36Å; N464-F468 PolarHBondContact O-N 3.12Å
465	L	90.6	Very high	95.4	Very high	65 Å²	65	64.7 Å²	64.7	34%	0.34	33%	0.332	S	S	.	.	H	α-helix	trans	-64.3	-32.9	-176.5	-161.9	66.2	0	0	0	113.2	R395 M398 F468 Q469	R395-L465 HydrophobicContact CG-CD1 3.73Å; M398-L465 HydrophobicContact CE-CD1 3.85Å; M398-L465 HydrophobicContact CE-CD2 3.81Å; M398-L465 HydrophobicContact CE-CG 3.87Å; M398-L465 HydrophobicContact SD-CD1 4.03Å; M398-L465 HydrophobicContact SD-CG 4.46Å; L465-F468 WeakPolarHBondContact O-CB 3.1Å; L465-F468 PolarHBondContact O-N 3.03Å; L465-Q469 WeakPolarHBondContact O-CG 3.08Å; L465-Q469 PolarHBondContact O-N 3.36Å
466	K	93.5	Very high	95.3	Very high	152 Å²	152	70.8 Å²	70.8	66%	0.661	36%	0.36	S	S	*	.	H	α-helix	trans	-66.5	-49.2	177.2	-175.2	178.6	-179.6	179.8	0	111.5	N464 F468 Q469 L470	N464-K466 VanDerWaalsContact C-N 3.3Å; N464-K466 PolarHBondContact O-N 3.48Å; N464-K466 PolarHBondContact OD1-N 2.83Å; K466-F468 VanDerWaalsContact C-N 3.27Å; K466-F468 PolarHBondContact O-N 3.27Å; K466-Q469 PolarHBondContact O-N 3.49Å; K466-L470 PolarHBondContact O-N 2.85Å; K466-L470 VanDerWaalsContact O-N 3.1Å
467	S	95.5	Very high	95.3	Very high	28 Å²	28	75.3 Å²	75.3	20%	0.196	38%	0.38	C	S	.	.	H	α-helix	trans	-64.8	-32.8	174.5	49.4	0	0	0	0	112.2	K463 N464 L470 V471	K463-S467 PolarHBondContact N-OG 3.12Å; N464-S467 PolarHBondContact N-OG 3.01Å; N464-S467 PolarHBondContact O-N 2.91Å; N464-S467 PolarHBondContact O-OG 3.22Å; N464-S467 PolarHBondContact OD1-N 3.43Å; N464-S467 PolarHBondContact OD1-OG 3.15Å; S467-L470 PolarHBondContact O-N 3.41Å; S467-V471 WeakPolarHBondContact O-CG2 3.22Å; S467-V471 PolarHBondContact O-N 3.19Å
468	F	95.9	Very high	95.3	Very high	0 Å²	0	73 Å²	73	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-59.3	-47	172.4	-170	-87.7	0	0	0	111.9	R395 M398 I399 T455 V458 K459 S462 N464 L465 K466 L470 V471 L472	R395-F468 HydrophobicContact CB-CD1 4.45Å; R395-F468 HydrophobicContact CB-CE1 3.84Å; R395-F468 HydrophobicContact CB-CE2 3.98Å; R395-F468 HydrophobicContact CB-CZ 3.57Å; R395-F468 HydrophobicContact CG-CD1 4.15Å; R395-F468 HydrophobicContact CG-CD2 4.06Å; R395-F468 HydrophobicContact CG-CE1 4.03Å; R395-F468 HydrophobicContact CG-CE2 3.94Å; R395-F468 HydrophobicContact CG-CG 4.16Å; R395-F468 HydrophobicContact CG-CZ 3.92Å; M398-F468 HydrophobicContact SD-CD1 4.44Å; I399-F468 HydrophobicContact CD1-CE1 4.06Å; I399-F468 HydrophobicContact CD1-CZ 3.54Å; I399-F468 HydrophobicContact CG1-CE1 4.1Å; I399-F468 HydrophobicContact CG1-CZ 4.09Å; T455-F468 HydrophobicContact CG2-CE2 4.47Å; T455-F468 HydrophobicContact CG2-CZ 4.15Å; V458-F468 HydrophobicContact CB-CD2 4.24Å; V458-F468 HydrophobicContact CB-CE2 3.63Å; V458-F468 HydrophobicContact CB-CZ 3.97Å; V458-F468 HydrophobicContact CG1-CD1 4.32Å; V458-F468 HydrophobicContact CG1-CD2 3.55Å; V458-F468 HydrophobicContact CG1-CE1 4.19Å; V458-F468 HydrophobicContact CG1-CE2 3.38Å; V458-F468 HydrophobicContact CG1-CG 4.03Å; V458-F468 HydrophobicContact CG1-CZ 3.73Å; K459-F468 HydrophobicContact CB-CE2 4.19Å; S462-F468 WeakPolarHBondContact OG-CA 3.4Å; N464-F468 WeakPolarHBondContact O-CB 3.36Å; N464-F468 PolarHBondContact O-N 3.12Å; L465-F468 WeakPolarHBondContact O-CB 3.1Å; L465-F468 PolarHBondContact O-N 3.03Å; K466-F468 VanDerWaalsContact C-N 3.27Å; K466-F468 PolarHBondContact O-N 3.27Å; F468-L470 PolarHBondContact O-N 3.38Å; F468-V471 PolarHBondContact O-N 2.94Å; F468-L472 HydrophobicContact CD1-CD1 3.93Å; F468-L472 HydrophobicContact CD1-CG 4.38Å; F468-L472 HydrophobicContact CE1-CD1 3.77Å; F468-L472 HydrophobicContact CE1-CG 4.31Å; F468-L472 WeakPolarHBondContact O-CG 3.35Å; F468-L472 PolarHBondContact O-N 3.12Å; F468-L472 VanDerWaalsContact O-N 3.16Å
469	Q	95.6	Very high	95.3	Very high	84 Å²	84	76.5 Å²	76.5	39%	0.393	38%	0.381	S	S	.	.	H	α-helix	trans	-62.3	-40.5	175.4	-71.6	174.1	-31.5	0	0	112.7	M398 L465 K466 L472 Q473	M398-Q469 HydrophobicContact CE-CG 4.34Å; M398-Q469 VanDerWaalsContact CE-NE2 3.32Å; M398-Q469 HydrophobicContact SD-CG 3.77Å; L465-Q469 WeakPolarHBondContact O-CG 3.08Å; L465-Q469 PolarHBondContact O-N 3.36Å; K466-Q469 PolarHBondContact O-N 3.49Å; Q469-L472 PolarHBondContact O-N 3.27Å; Q469-Q473 WeakPolarHBondContact O-CG 3.44Å; Q469-Q473 PolarHBondContact O-N 2.88Å
470	L	96.8	Very high	95.4	Very high	69 Å²	69	78 Å²	78	36%	0.361	40%	0.397	S	S	.	.	H	α-helix	trans	-62.7	-45.5	176.3	-70.3	171	0	0	0	111.6	K466 S467 F468 L472 Q473 E474	K466-L470 PolarHBondContact O-N 2.85Å; K466-L470 VanDerWaalsContact O-N 3.1Å; S467-L470 PolarHBondContact O-N 3.41Å; F468-L470 PolarHBondContact O-N 3.38Å; L470-L472 VanDerWaalsContact C-N 3.3Å; L470-L472 PolarHBondContact O-N 2.75Å; L470-Q473 CarbonylContact O-C 3.59Å; L470-Q473 WeakPolarHBondContact O-CA 3.46Å; L470-Q473 PolarHBondContact O-N 2.82Å; L470-E474 WeakPolarHBondContact O-CB 3.5Å; L470-E474 PolarHBondContact O-N 3.4Å
471	V	97.2	Very high	95.5	Very high	24 Å²	24	77.6 Å²	77.6	15%	0.145	38%	0.384	C	S	.	.	H	α-helix	trans	-58.4	-41.9	176.9	171.6	0	0	0	0	111.3	V458 V461 S467 F468 Q473 E474 D475 I478	V458-V471 HydrophobicContact CG1-CB 4.22Å; V458-V471 HydrophobicContact CG1-CG1 3.86Å; V461-V471 HydrophobicContact CG2-CG1 3.78Å; V461-V471 HydrophobicContact CG2-CG2 4.2Å; S467-V471 WeakPolarHBondContact O-CG2 3.22Å; S467-V471 PolarHBondContact O-N 3.19Å; F468-V471 PolarHBondContact O-N 2.94Å; V471-Q473 PolarHBondContact O-N 3Å; V471-E474 PolarHBondContact O-N 3.03Å; V471-D475 HydrophobicContact CG1-CB 3.98Å; V471-D475 VanDerWaalsContact O-CB 3.29Å; V471-D475 WeakPolarHBondContact O-CB 3.31Å; V471-D475 PolarHBondContact O-N 2.83Å; V471-I478 HydrophobicContact CG1-CG1 4.06Å
472	L	96.9	Very high	95.7	Very high	16 Å²	16	74.2 Å²	74.2	8%	0.084	36%	0.363	C	S	.	.	H	α-helix	trans	-61.1	-28.2	175.7	-64	175.8	0	0	0	113.2	M398 I399 L402 V458 F468 Q469 L470 I478 I482	M398-L472 HydrophobicContact CB-CD1 4.35Å; I399-L472 HydrophobicContact CD1-CD2 4.05Å; I399-L472 HydrophobicContact CG1-CD1 4.14Å; I399-L472 HydrophobicContact CG1-CD2 3.72Å; L402-L472 HydrophobicContact CD1-CB 4.32Å; L402-L472 HydrophobicContact CD1-CD1 4.11Å; V458-L472 HydrophobicContact CB-CD2 4.47Å; V458-L472 HydrophobicContact CG1-CD2 3.86Å; V458-L472 HydrophobicContact CG1-CG 4.23Å; V458-L472 HydrophobicContact CG2-CD2 3.92Å; F468-L472 HydrophobicContact CD1-CD1 3.93Å; F468-L472 HydrophobicContact CD1-CG 4.38Å; F468-L472 HydrophobicContact CE1-CD1 3.77Å; F468-L472 HydrophobicContact CE1-CG 4.31Å; F468-L472 WeakPolarHBondContact O-CG 3.35Å; F468-L472 PolarHBondContact O-N 3.12Å; F468-L472 VanDerWaalsContact O-N 3.16Å; Q469-L472 PolarHBondContact O-N 3.27Å; L470-L472 VanDerWaalsContact C-N 3.3Å; L470-L472 PolarHBondContact O-N 2.75Å; L472-I478 HydrophobicContact CD2-CG2 4.06Å; L472-I482 HydrophobicContact CD2-CD1 3.78Å
473	Q	94.9	Very high	95.8	Very high	129 Å²	129	81 Å²	81	60%	0.603	39%	0.39	S	S	*	.	H	α-helix	trans	-96.8	-20.3	-175.9	-70	178.1	-0.6	0	0	114.3	Q469 L470 V471 K479	Q469-Q473 WeakPolarHBondContact O-CG 3.44Å; Q469-Q473 PolarHBondContact O-N 2.88Å; L470-Q473 CarbonylContact O-C 3.59Å; L470-Q473 WeakPolarHBondContact O-CA 3.46Å; L470-Q473 PolarHBondContact O-N 2.82Å; V471-Q473 PolarHBondContact O-N 3Å; Q473-K479 WeakPolarHBondContact O-CE 3.43Å; Q473-K479 PolarHBondContact O-NZ 3.43Å
474	E	96.1	Very high	96.2	Very high	134 Å²	134	75.3 Å²	75.3	63%	0.626	37%	0.369	S	S	*	.	H	α-helix	trans	-121	-29.3	-169.7	-64.6	-179.9	176.4	0	0	113.4	L470 V471 E476	L470-E474 WeakPolarHBondContact O-CB 3.5Å; L470-E474 PolarHBondContact O-N 3.4Å; V471-E474 PolarHBondContact O-N 3.03Å; E474-E476 PolarHBondContact O-N 2.96Å
475	D	96.9	Very high	96.6	Very high	61 Å²	61	71.4 Å²	71.4	33%	0.326	35%	0.348	S	S	.	.			trans	-79.7	110.2	-178.4	-173.1	-55.1	0	0	0	110.8	V471 H477 I478 K479	V471-D475 HydrophobicContact CG1-CB 3.98Å; V471-D475 VanDerWaalsContact O-CB 3.29Å; V471-D475 WeakPolarHBondContact O-CB 3.31Å; V471-D475 PolarHBondContact O-N 2.83Å; D475-H477 VanDerWaalsContact C-N 3.29Å; D475-H477 PolarHBondContact O-N 2.76Å; D475-H477 WeakPolarHBondContact OD1-CA 3.36Å; D475-H477 WeakPolarHBondContact OD1-CB 3.4Å; D475-H477 PolarHBondContact OD1-N 2.78Å; D475-I478 HydrophobicContact CB-CB 4.02Å; D475-I478 HydrophobicContact CB-CG1 3.95Å; D475-I478 PolarHBondContact O-N 2.98Å; D475-I478 PolarHBondContact OD1-N 3.31Å; D475-K479 WeakPolarHBondContact O-CG 3.42Å; D475-K479 PolarHBondContact O-N 3.05Å
476	E	97	Very high	96.9	Very high	128 Å²	128	71.3 Å²	71.3	60%	0.598	34%	0.343	S	S	*	.	H	α-helix	trans	-64.7	-29.5	-176.8	-68	-56.8	129.5	0	0	113.5	E474 K479 S480	E474-E476 PolarHBondContact O-N 2.96Å; E476-K479 WeakPolarHBondContact OE1-CD 3.48Å; E476-K479 IonicContact OE1-NZ 2.99Å; E476-K479 PolarHBondContact OE1-NZ 2.98Å; E476-S480 WeakPolarHBondContact O-CB 3.17Å; E476-S480 PolarHBondContact O-N 3.5Å
477	H	96.5	Very high	97.2	Very high	116 Å²	116	69.3 Å²	69.3	54%	0.537	34%	0.336	S	S	.	.	H	α-helix	trans	-71.1	-43.2	175.7	-177.4	59.9	0	0	0	111	D475 S480 K481	D475-H477 VanDerWaalsContact C-N 3.29Å; D475-H477 PolarHBondContact O-N 2.76Å; D475-H477 WeakPolarHBondContact OD1-CA 3.36Å; D475-H477 WeakPolarHBondContact OD1-CB 3.4Å; D475-H477 PolarHBondContact OD1-N 2.78Å; H477-S480 PolarHBondContact O-N 3.12Å; H477-K481 WeakPolarHBondContact NE2-CE 3.34Å; H477-K481 PolarHBondContact O-N 3.18Å; H477-K481 VanDerWaalsContact O-N 3.1Å
478	I	97.5	Very high	97.3	Very high	4 Å²	4	71.2 Å²	71.2	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-64.2	-44.6	174.8	-63.3	-55.6	0	0	0	111	L454 V457 V458 V471 L472 D475 S480 K481 I482	L454-I478 HydrophobicContact CD1-CD1 4.44Å; V457-I478 HydrophobicContact CG1-CD1 3.8Å; V458-I478 HydrophobicContact CG2-CD1 3.89Å; V458-I478 HydrophobicContact CG2-CG1 4.23Å; V458-I478 HydrophobicContact CG2-CG2 3.63Å; V471-I478 HydrophobicContact CG1-CG1 4.06Å; L472-I478 HydrophobicContact CD2-CG2 4.06Å; D475-I478 HydrophobicContact CB-CB 4.02Å; D475-I478 HydrophobicContact CB-CG1 3.95Å; D475-I478 PolarHBondContact O-N 2.98Å; D475-I478 PolarHBondContact OD1-N 3.31Å; I478-S480 VanDerWaalsContact C-N 3.3Å; I478-S480 PolarHBondContact O-N 3.47Å; I478-K481 PolarHBondContact O-N 3.22Å; I478-I482 HydrophobicContact CG2-CD1 3.78Å; I478-I482 HydrophobicContact CG2-CG1 4.37Å; I478-I482 WeakPolarHBondContact O-CG1 3.25Å; I478-I482 PolarHBondContact O-N 3.38Å
479	K	97.8	Very high	97.5	Very high	73 Å²	73	71.2 Å²	71.2	32%	0.317	34%	0.339	S	S	.	.	H	α-helix	trans	-57.4	-42.9	174.2	-78.2	177.8	178.2	165.7	0	112.7	Q473 D475 E476 I482 K483	Q473-K479 WeakPolarHBondContact O-CE 3.43Å; Q473-K479 PolarHBondContact O-NZ 3.43Å; D475-K479 WeakPolarHBondContact O-CG 3.42Å; D475-K479 PolarHBondContact O-N 3.05Å; E476-K479 WeakPolarHBondContact OE1-CD 3.48Å; E476-K479 IonicContact OE1-NZ 2.99Å; E476-K479 PolarHBondContact OE1-NZ 2.98Å; K479-I482 PolarHBondContact O-N 3.35Å; K479-K483 WeakPolarHBondContact O-CB 3.36Å; K479-K483 PolarHBondContact O-N 2.77Å
480	S	98	Very high	97.6	Very high	77 Å²	77	68 Å²	68	54%	0.538	33%	0.327	S	S	.	.	H	α-helix	trans	-60.2	-46.1	177.4	-174	0	0	0	0	111.3	E476 H477 I478 I482 K483 D484	E476-S480 WeakPolarHBondContact O-CB 3.17Å; E476-S480 PolarHBondContact O-N 3.5Å; H477-S480 PolarHBondContact O-N 3.12Å; I478-S480 VanDerWaalsContact C-N 3.3Å; I478-S480 PolarHBondContact O-N 3.47Å; S480-I482 PolarHBondContact O-N 3.19Å; S480-K483 PolarHBondContact O-N 3.09Å; S480-D484 PolarHBondContact O-N 3.28Å
481	K	97.9	Very high	97.7	Very high	79 Å²	79	69 Å²	69	34%	0.343	33%	0.333	S	S	.	.	H	α-helix	trans	-61.6	-42.9	174.7	-71.2	-176.6	173.2	-170.5	0	113.1	L454 H477 I478 K483 D484 L485	L454-K481 HydrophobicContact CD1-CB 4Å; L454-K481 HydrophobicContact CD1-CD 4Å; H477-K481 WeakPolarHBondContact NE2-CE 3.34Å; H477-K481 PolarHBondContact O-N 3.18Å; H477-K481 VanDerWaalsContact O-N 3.1Å; I478-K481 PolarHBondContact O-N 3.22Å; K481-K483 VanDerWaalsContact C-N 3.34Å; K481-D484 PolarHBondContact O-N 3.05Å; K481-L485 WeakPolarHBondContact O-CB 3.35Å; K481-L485 PolarHBondContact O-N 3.19Å
482	I	98.3	Very high	97.8	Very high	16 Å²	16	69.8 Å²	69.8	8%	0.082	33%	0.334	C	S	.	.	H	α-helix	trans	-61.1	-45.2	176	-71.2	168.9	0	0	0	110.2	L402 V403 L454 L472 I478 K479 S480 L485 R486	L402-I482 HydrophobicContact CB-CG2 3.82Å; L402-I482 HydrophobicContact CD1-CD1 4.03Å; V403-I482 HydrophobicContact CG1-CB 4.42Å; V403-I482 HydrophobicContact CG1-CG2 3.99Å; L454-I482 HydrophobicContact CD2-CG1 3.86Å; L472-I482 HydrophobicContact CD2-CD1 3.78Å; I478-I482 HydrophobicContact CG2-CD1 3.78Å; I478-I482 HydrophobicContact CG2-CG1 4.37Å; I478-I482 WeakPolarHBondContact O-CG1 3.25Å; I478-I482 PolarHBondContact O-N 3.38Å; K479-I482 PolarHBondContact O-N 3.35Å; S480-I482 PolarHBondContact O-N 3.19Å; I482-L485 PolarHBondContact O-N 3.03Å; I482-R486 WeakPolarHBondContact O-CB 3.2Å; I482-R486 PolarHBondContact O-N 2.91Å
483	K	98.1	Very high	97.8	Very high	161 Å²	161	69 Å²	69	70%	0.7	33%	0.33	S	S	*	.	H	α-helix	trans	-63.8	-43.2	180	-173.9	-179.1	178.3	-176.7	0	112.1	K479 S480 K481 H487	K479-K483 WeakPolarHBondContact O-CB 3.36Å; K479-K483 PolarHBondContact O-N 2.77Å; S480-K483 PolarHBondContact O-N 3.09Å; K481-K483 VanDerWaalsContact C-N 3.34Å; K483-H487 WeakPolarHBondContact O-CB 3.35Å; K483-H487 PolarHBondContact O-N 2.95Å
484	D	98.5	Very high	97.9	Very high	82 Å²	82	64.8 Å²	64.8	44%	0.439	32%	0.315	S	S	.	.	H	α-helix	trans	-61.6	-51.8	176	175.4	76.3	0	0	0	111.7	S480 K481 R486 H487 R488	S480-D484 PolarHBondContact O-N 3.28Å; K481-D484 PolarHBondContact O-N 3.05Å; D484-R486 VanDerWaalsContact C-N 3.33Å; D484-R486 PolarHBondContact O-N 2.74Å; D484-H487 PolarHBondContact O-N 3.31Å; D484-R488 PolarHBondContact O-N 3Å; D484-R488 IonicContact OD1-NE 2.72Å; D484-R488 IonicContact OD2-CZ 2.76Å; D484-R488 VanDerWaalsContact OD2-CZ 3.26Å; D484-R488 IonicContact OD2-NE 2.75Å; D484-R488 PolarHBondContact OD2-NE 2.51Å; D484-R488 IonicContact OD2-NH2 3.65Å; D484-R488 PolarHBondContact OD2-NH2 2.89Å
485	L	98.6	Very high	98	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-62.4	-41.7	178.5	-178.2	54	0	0	0	111.4	V403 F447 E450 L454 K481 I482 H487 R488 V489	V403-L485 HydrophobicContact CB-CB 4.44Å; V403-L485 HydrophobicContact CB-CD2 4.2Å; V403-L485 HydrophobicContact CB-CG 3.99Å; V403-L485 HydrophobicContact CG1-CB 4.17Å; V403-L485 HydrophobicContact CG1-CD2 4.01Å; V403-L485 HydrophobicContact CG1-CG 4.08Å; V403-L485 HydrophobicContact CG2-CD2 4.18Å; V403-L485 HydrophobicContact CG2-CG 4.34Å; F447-L485 HydrophobicContact CD1-CD1 3.76Å; F447-L485 HydrophobicContact CE1-CD1 4.26Å; E450-L485 HydrophobicContact CG-CD1 4.44Å; E450-L485 HydrophobicContact CG-CD2 4.28Å; L454-L485 HydrophobicContact CD2-CD2 4.43Å; K481-L485 WeakPolarHBondContact O-CB 3.35Å; K481-L485 PolarHBondContact O-N 3.19Å; I482-L485 PolarHBondContact O-N 3.03Å; L485-H487 VanDerWaalsContact C-N 3.31Å; L485-H487 PolarHBondContact O-N 2.86Å; L485-R488 PolarHBondContact O-N 3.44Å; L485-V489 HydrophobicContact CD1-CG2 3.92Å; L485-V489 HydrophobicContact CG-CG2 4.33Å; L485-V489 WeakPolarHBondContact O-CB 3.26Å; L485-V489 VanDerWaalsContact O-CG2 3.25Å; L485-V489 WeakPolarHBondContact O-CG2 3.31Å; L485-V489 PolarHBondContact O-N 3.38Å
486	R	98.6	Very high	98	Very high	63 Å²	63	61 Å²	61	24%	0.238	30%	0.304	C	S	.	.	H	α-helix	trans	-56.9	-44.1	175	177.6	58.8	-171.4	127	-1.4	112	S53 L402 V403 I482 D484 A490	S53-R486 PolarHBondContact O-NH1 3.39Å; S53-R486 PolarHBondContact OG-NH2 2.67Å; L402-R486 WeakPolarHBondContact O-CD 3.5Å; V403-R486 WeakPolarHBondContact O-CA 3.35Å; V403-R486 VanDerWaalsContact O-CD 3.28Å; V403-R486 WeakPolarHBondContact O-CD 3.28Å; I482-R486 WeakPolarHBondContact O-CB 3.2Å; I482-R486 PolarHBondContact O-N 2.91Å; D484-R486 VanDerWaalsContact C-N 3.33Å; D484-R486 PolarHBondContact O-N 2.74Å; R486-A490 WeakPolarHBondContact O-CB 3.44Å; R486-A490 PolarHBondContact O-N 2.97Å
487	H	98.5	Very high	97.9	Very high	110 Å²	110	59.2 Å²	59.2	51%	0.509	30%	0.304	S	S	.	.	H	α-helix	trans	-64.8	-49	179.3	179.5	36.4	0	0	0	111.4	K483 D484 L485 V489 A490 D491	K483-H487 WeakPolarHBondContact O-CB 3.35Å; K483-H487 PolarHBondContact O-N 2.95Å; D484-H487 PolarHBondContact O-N 3.31Å; L485-H487 VanDerWaalsContact C-N 3.31Å; L485-H487 PolarHBondContact O-N 2.86Å; H487-V489 VanDerWaalsContact C-N 3.35Å; H487-V489 PolarHBondContact O-N 2.65Å; H487-A490 PolarHBondContact O-N 3.43Å; H487-D491 VanDerWaalsContact CE1-CG 3.45Å; H487-D491 IonicContact CE1-OD1 3.95Å; H487-D491 PolarHBondContact CE1-OD1 3.38Å; H487-D491 VanDerWaalsContact CE1-OD1 3.23Å; H487-D491 IonicContact CE1-OD2 3.45Å; H487-D491 PolarHBondContact CE1-OD2 3.21Å; H487-D491 IonicContact ND1-OD1 3.8Å; H487-D491 PolarHBondContact ND1-OD1 3.29Å; H487-D491 IonicContact ND1-OD2 2.84Å; H487-D491 PolarHBondContact ND1-OD2 2.98Å; H487-D491 IonicContact NE2-OD2 3.63Å; H487-D491 PolarHBondContact NE2-OD2 3.32Å; H487-D491 WeakPolarHBondContact O-CB 3.32Å; H487-D491 VanDerWaalsContact O-CG 3.29Å; H487-D491 PolarHBondContact O-N 2.98Å
488	R	98.6	Very high	97.8	Very high	69 Å²	69	55.1 Å²	55.1	26%	0.26	29%	0.286	S	S	.	.	H	α-helix	trans	-62.7	-39.9	178.8	-70.5	-177.1	-71.9	111.3	-2.8	112.8	F447 E450 D484 L485 F492	F447-R488 HydrophobicContact CE1-CB 4.02Å; F447-R488 HydrophobicContact CZ-CB 4.38Å; E450-R488 VanDerWaalsContact CD-NH2 3.31Å; E450-R488 IonicContact OE1-CZ 3.91Å; E450-R488 IonicContact OE1-NH1 3.54Å; E450-R488 IonicContact OE1-NH2 2.77Å; E450-R488 PolarHBondContact OE1-NH2 3.05Å; E450-R488 IonicContact OE2-CZ 2.86Å; E450-R488 IonicContact OE2-NH1 3.43Å; E450-R488 PolarHBondContact OE2-NH1 3.14Å; E450-R488 IonicContact OE2-NH2 3.26Å; E450-R488 PolarHBondContact OE2-NH2 2.95Å; D484-R488 PolarHBondContact O-N 3Å; D484-R488 IonicContact OD1-NE 2.72Å; D484-R488 IonicContact OD2-CZ 2.76Å; D484-R488 VanDerWaalsContact OD2-CZ 3.26Å; D484-R488 IonicContact OD2-NE 2.75Å; D484-R488 PolarHBondContact OD2-NE 2.51Å; D484-R488 IonicContact OD2-NH2 3.65Å; D484-R488 PolarHBondContact OD2-NH2 2.89Å; L485-R488 PolarHBondContact O-N 3.44Å; R488-F492 WeakPolarHBondContact O-CB 3.35Å; R488-F492 PolarHBondContact O-N 3.02Å; R488-F492 VanDerWaalsContact O-N 3.1Å
489	V	98.7	Very high	97.6	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65	-44.3	174.4	170.5	0	0	0	0	110.6	L55 V403 G404 I405 F447 L485 H487 F492 A493	L55-V489 HydrophobicContact CD1-CG1 4.16Å; L55-V489 HydrophobicContact CG-CG1 3.97Å; V403-V489 WeakPolarHBondContact O-CB 3.25Å; V403-V489 WeakPolarHBondContact O-CG1 3.49Å; G404-V489 WeakPolarHBondContact O-CG1 3.5Å; I405-V489 HydrophobicContact CD1-CG2 4.15Å; I405-V489 HydrophobicContact CG1-CG1 4.15Å; I405-V489 HydrophobicContact CG1-CG2 4.07Å; F447-V489 HydrophobicContact CB-CG2 4.39Å; F447-V489 HydrophobicContact CD1-CG2 3.77Å; F447-V489 HydrophobicContact CD2-CG2 4.43Å; F447-V489 HydrophobicContact CE1-CG2 4.02Å; F447-V489 HydrophobicContact CG-CG2 3.98Å; F447-V489 HydrophobicContact CZ-CG2 4.45Å; L485-V489 HydrophobicContact CD1-CG2 3.92Å; L485-V489 HydrophobicContact CG-CG2 4.33Å; L485-V489 WeakPolarHBondContact O-CB 3.26Å; L485-V489 VanDerWaalsContact O-CG2 3.25Å; L485-V489 WeakPolarHBondContact O-CG2 3.31Å; L485-V489 PolarHBondContact O-N 3.38Å; H487-V489 VanDerWaalsContact C-N 3.35Å; H487-V489 PolarHBondContact O-N 2.65Å; V489-F492 PolarHBondContact O-N 3.03Å; V489-A493 VanDerWaalsContact O-CB 3.28Å; V489-A493 WeakPolarHBondContact O-CB 3.33Å; V489-A493 PolarHBondContact O-N 2.95Å
490	A	98.5	Very high	97.3	Very high	16 Å²	16	54.9 Å²	54.9	13%	0.132	30%	0.296	C	S	.	.	H	α-helix	trans	-63	-44.2	178.6	0	0	0	0	0	112.7	S53 R486 H487 S494	S53-A490 WeakPolarHBondContact O-CA 3.35Å; R486-A490 WeakPolarHBondContact O-CB 3.44Å; R486-A490 PolarHBondContact O-N 2.97Å; H487-A490 PolarHBondContact O-N 3.43Å; A490-S494 WeakPolarHBondContact O-CB 3.24Å; A490-S494 PolarHBondContact O-N 2.87Å; A490-S494 PolarHBondContact O-OG 3.46Å
491	D	98.4	Very high	96.7	Very high	91 Å²	91	54 Å²	54	49%	0.487	28%	0.284	S	S	.	.	H	α-helix	trans	-63.3	-44.9	178.8	-72.4	2.1	0	0	0	110.8	H487 S495	H487-D491 VanDerWaalsContact CE1-CG 3.45Å; H487-D491 IonicContact CE1-OD1 3.95Å; H487-D491 PolarHBondContact CE1-OD1 3.38Å; H487-D491 VanDerWaalsContact CE1-OD1 3.23Å; H487-D491 IonicContact CE1-OD2 3.45Å; H487-D491 PolarHBondContact CE1-OD2 3.21Å; H487-D491 IonicContact ND1-OD1 3.8Å; H487-D491 PolarHBondContact ND1-OD1 3.29Å; H487-D491 IonicContact ND1-OD2 2.84Å; H487-D491 PolarHBondContact ND1-OD2 2.98Å; H487-D491 IonicContact NE2-OD2 3.63Å; H487-D491 PolarHBondContact NE2-OD2 3.32Å; H487-D491 WeakPolarHBondContact O-CB 3.32Å; H487-D491 VanDerWaalsContact O-CG 3.29Å; H487-D491 PolarHBondContact O-N 2.98Å; D491-S495 PolarHBondContact O-N 2.75Å
492	F	98.6	Very high	95.8	Very high	40 Å²	40	59.1 Å²	59.1	18%	0.175	31%	0.309	C	S	.	.	H	α-helix	trans	-63.2	-52.7	176.3	-179.1	-119.6	0	0	0	111.6	L55 F436 D440 K443 F447 R488 V489 S494 S495 F496	L55-F492 HydrophobicContact CD2-CD1 4.07Å; L55-F492 HydrophobicContact CD2-CE1 4.28Å; F436-F492 HydrophobicContact CE1-CD1 4.47Å; F436-F492 AromaticContact CE1-CE1 3.64Å; F436-F492 HydrophobicContact CE1-CE1 3.64Å; F436-F492 HydrophobicContact CE1-CZ 4.05Å; F436-F492 HydrophobicContact CZ-CE1 4.11Å; D440-F492 HydrophobicContact CB-CZ 4.03Å; K443-F492 HydrophobicContact CB-CE1 4.21Å; K443-F492 HydrophobicContact CB-CE2 4.45Å; K443-F492 HydrophobicContact CB-CZ 3.86Å; K443-F492 HydrophobicContact CG-CD1 4.38Å; K443-F492 HydrophobicContact CG-CD2 4.44Å; K443-F492 HydrophobicContact CG-CE1 3.94Å; K443-F492 HydrophobicContact CG-CE2 4.04Å; K443-F492 HydrophobicContact CG-CZ 3.77Å; F447-F492 HydrophobicContact CD2-CD1 4.23Å; F447-F492 HydrophobicContact CE2-CB 3.99Å; F447-F492 AromaticContact CE2-CD1 3.58Å; F447-F492 HydrophobicContact CE2-CD1 3.58Å; F447-F492 HydrophobicContact CE2-CE1 4.27Å; F447-F492 AromaticContact CE2-CG 3.91Å; F447-F492 HydrophobicContact CE2-CG 3.91Å; F447-F492 HydrophobicContact CZ-CB 4.23Å; R488-F492 WeakPolarHBondContact O-CB 3.35Å; R488-F492 PolarHBondContact O-N 3.02Å; R488-F492 VanDerWaalsContact O-N 3.1Å; V489-F492 PolarHBondContact O-N 3.03Å; F492-S494 VanDerWaalsContact C-N 3.34Å; F492-S494 PolarHBondContact O-N 3.41Å; F492-S495 WeakPolarHBondContact O-CB 3.08Å; F492-S495 PolarHBondContact O-N 2.89Å; F492-S495 PolarHBondContact O-OG 2.89Å; F492-F496 HydrophobicContact CD2-CE2 4.38Å; F492-F496 AromaticContact CE2-CE2 3.97Å; F492-F496 HydrophobicContact CE2-CE2 3.97Å; F492-F496 HydrophobicContact CE2-CZ 4.38Å; F492-F496 HydrophobicContact CZ-CE2 4.11Å; F492-F496 HydrophobicContact CZ-CZ 4.41Å; F492-F496 WeakPolarHBondContact O-CD2 3.49Å
493	A	98.3	Very high	94.5	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-63.1	-38	-178.7	0	0	0	0	0	112.5	R52 L55 R434 V489 S495 F496	R52-A493 CarbonylContact O-C 3.57Å; L55-A493 HydrophobicContact CD2-CB 4.04Å; R434-A493 PolarHBondContact NH1-O 2.82Å; R434-A493 PolarHBondContact NH2-O 3.35Å; V489-A493 VanDerWaalsContact O-CB 3.28Å; V489-A493 WeakPolarHBondContact O-CB 3.33Å; V489-A493 PolarHBondContact O-N 2.95Å; A493-S495 PolarHBondContact O-N 3.39Å; A493-F496 PolarHBondContact O-N 3.32Å
494	S	97	Very high	92.8	Very high	40 Å²	40	59.3 Å²	59.3	28%	0.28	32%	0.317	S	S	.	.	H	α-helix	trans	-73.6	-11.7	-176.7	-58.1	0	0	0	0	113.9	A490 F492 F496	A490-S494 WeakPolarHBondContact O-CB 3.24Å; A490-S494 PolarHBondContact O-N 2.87Å; A490-S494 PolarHBondContact O-OG 3.46Å; F492-S494 VanDerWaalsContact C-N 3.34Å; F492-S494 PolarHBondContact O-N 3.41Å; S494-F496 PolarHBondContact O-N 2.82Å
495	S	97.2	Very high	92.5	Very high	86 Å²	86	58.2 Å²	58.2	60%	0.601	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-15.2	174.8	73.4	0	0	0	0	113.5	D491 F492 A493	D491-S495 PolarHBondContact O-N 2.75Å; F492-S495 WeakPolarHBondContact O-CB 3.08Å; F492-S495 PolarHBondContact O-N 2.89Å; F492-S495 PolarHBondContact O-OG 2.89Å; A493-S495 PolarHBondContact O-N 3.39Å
496	F	97.6	Very high	92.2	Very high	29 Å²	29	61.2 Å²	61.2	13%	0.127	33%	0.327	C	S	.	.	S	Bend	trans	-99	147.8	178.8	-65.1	-95.8	0	0	0	111.9	R434 F436 D440 F492 A493 S494	R434-F496 HydrophobicContact CB-CB 4.27Å; R434-F496 PolarHBondContact NH2-O 3.48Å; F436-F496 HydrophobicContact CD2-CB 4.39Å; F436-F496 AromaticContact CD2-CD1 3.55Å; F436-F496 HydrophobicContact CD2-CD1 3.55Å; F436-F496 AromaticContact CD2-CD2 3.99Å; F436-F496 HydrophobicContact CD2-CD2 3.99Å; F436-F496 AromaticContact CD2-CE1 3.69Å; F436-F496 HydrophobicContact CD2-CE1 3.69Å; F436-F496 HydrophobicContact CD2-CE2 4.12Å; F436-F496 AromaticContact CD2-CG 3.72Å; F436-F496 HydrophobicContact CD2-CG 3.72Å; F436-F496 AromaticContact CD2-CZ 3.98Å; F436-F496 HydrophobicContact CD2-CZ 3.98Å; F436-F496 HydrophobicContact CE1-CE2 4.21Å; F436-F496 HydrophobicContact CE1-CZ 4.45Å; F436-F496 HydrophobicContact CE2-CB 3.88Å; F436-F496 AromaticContact CE2-CD1 3.66Å; F436-F496 HydrophobicContact CE2-CD1 3.66Å; F436-F496 AromaticContact CE2-CD2 3.22Å; F436-F496 HydrophobicContact CE2-CD2 3.22Å; F436-F496 AromaticContact CE2-CE1 3.95Å; F436-F496 HydrophobicContact CE2-CE1 3.95Å; F436-F496 AromaticContact CE2-CE2 3.56Å; F436-F496 HydrophobicContact CE2-CE2 3.56Å; F436-F496 AromaticContact CE2-CG 3.29Å; F436-F496 HydrophobicContact CE2-CG 3.29Å; F436-F496 AromaticContact CE2-CZ 3.91Å; F436-F496 HydrophobicContact CE2-CZ 3.91Å; F436-F496 HydrophobicContact CG-CD1 4.46Å; F436-F496 HydrophobicContact CG-CE1 4.17Å; F436-F496 HydrophobicContact CG-CZ 4.29Å; F436-F496 AromaticContact CZ-CD2 3.59Å; F436-F496 HydrophobicContact CZ-CD2 3.59Å; F436-F496 AromaticContact CZ-CE2 3.59Å; F436-F496 HydrophobicContact CZ-CE2 3.59Å; F436-F496 HydrophobicContact CZ-CG 4.14Å; F436-F496 HydrophobicContact CZ-CZ 4.13Å; D440-F496 HydrophobicContact CB-CZ 4.2Å; F492-F496 HydrophobicContact CD2-CE2 4.38Å; F492-F496 AromaticContact CE2-CE2 3.97Å; F492-F496 HydrophobicContact CE2-CE2 3.97Å; F492-F496 HydrophobicContact CE2-CZ 4.38Å; F492-F496 HydrophobicContact CZ-CE2 4.11Å; F492-F496 HydrophobicContact CZ-CZ 4.41Å; F492-F496 WeakPolarHBondContact O-CD2 3.49Å; A493-F496 PolarHBondContact O-N 3.32Å; S494-F496 PolarHBondContact O-N 2.82Å
497	P	95.5	Very high	91.8	Very high	90 Å²	90	61.1 Å²	61.1	58%	0.584	33%	0.332	S	S	*	.			trans	-60.6	159.2	174.6	27.9	-35.9	0	0	0	111.8	R434	R434-P497 WeakPolarHBondContact CB-O 3.29Å; R434-P497 WeakPolarHBondContact CG-O 3.32Å; R434-P497 PolarHBondContact NE-O 3.49Å; R434-P497 WeakPolarHBondContact O-CD 3.34Å; R434-P497 WeakPolarHBondContact O-CG 3.45Å
498	I	93.9	Very high	91.5	Very high	31 Å²	31	58.2 Å²	58.2	16%	0.159	32%	0.322	C	S	.	.			trans	-120.8	120.2	170.6	-171.7	165	0	0	0	108	Q51 R52 F63	Q51-I498 HydrophobicContact CB-CD1 3.71Å; R52-I498 HydrophobicContact CB-CD1 4.15Å; F63-I498 HydrophobicContact CE1-CD1 4.4Å
499	P	93.4	Very high	91	Very high	48 Å²	48	57.6 Å²	57.6	31%	0.312	33%	0.326	S	S	.	.			trans	-66.7	157.1	176.3	-22.5	34.7	0	0	0	112.7	F63 T433	F63-P499 HydrophobicContact CB-CB 4.16Å; F63-P499 HydrophobicContact CB-CG 4.02Å; T433-P499 HydrophobicContact CG2-CG 3.76Å
500	G	91	Very high	90.5	Very high	23 Å²	23	61.4 Å²	61.4	24%	0.237	35%	0.348	C	S	.	.	S	Bend	trans	112.5	-158.6	178.3	0	0	0	0	0	112.3	Q66	Q66-G500 VanDerWaalsContact OE1-C 3.23Å; Q66-G500 PolarHBondContact OE1-O 3.48Å
501	M	84.8	Confident	89.9	Confident	59 Å²	59	64.6 Å²	64.6	29%	0.291	36%	0.363	S	S	.	.			trans	-72.8	135.3	-178.1	-72.8	-177.8	-76	0	0	111.2	K48 Q66 L69 I504	K48-M501 PolarHBondContact NZ-O 2.9Å; Q66-M501 VanDerWaalsContact OE1-CA 3.28Å; Q66-M501 VanDerWaalsContact OE1-N 3.14Å; L69-M501 HydrophobicContact CB-CE 4.2Å; L69-M501 HydrophobicContact CD1-CE 4.01Å; L69-M501 HydrophobicContact CD1-CG 4.16Å; M501-I504 HydrophobicContact CB-CB 4.48Å; M501-I504 HydrophobicContact CB-CG1 4.5Å; M501-I504 HydrophobicContact CE-CD1 3.48Å; M501-I504 VanDerWaalsContact CE-CD1 3.48Å; M501-I504 HydrophobicContact CE-CG1 4.35Å; M501-I504 HydrophobicContact SD-CD1 3.91Å; M501-I504 HydrophobicContact SD-CG1 4.42Å
502	E	80.5	Confident	89.3	Confident	187 Å²	187	62.6 Å²	62.6	87%	0.874	35%	0.354	S	S	*	.	S	Bend	trans	-77.4	-32.7	177	-72.9	-168.2	169.8	0	0	112.6	K48	K48-E502 VanDerWaalsContact NZ-C 3.26Å; K48-E502 PolarHBondContact NZ-O 2.97Å
503	D	70.8	Confident	88.5	Confident	125 Å²	125	64.5 Å²	64.5	67%	0.668	37%	0.368	S	S	*	.			trans	-88.9	-13.7	-169.2	61.1	-32.1	0	0	0	115.1	W41	W41-D503 WeakPolarHBondContact CH2-O 3.5Å
504	I	62	Low	87.6	Confident	56 Å²	56	70.4 Å²	70.4	29%	0.287	40%	0.402	S	S	.	.			trans	-107.8	0	164.4	-51.6	-174.6	0	0	0	106.5	W41 I44 Q45 K48 M501	W41-I504 HydrophobicContact CH2-CB 4.19Å; W41-I504 HydrophobicContact CH2-CG1 3.93Å; W41-I504 HydrophobicContact CH2-CG2 4.26Å; W41-I504 HydrophobicContact CZ3-CB 4.26Å; W41-I504 HydrophobicContact CZ3-CD1 4.45Å; W41-I504 HydrophobicContact CZ3-CG1 3.9Å; W41-I504 HydrophobicContact CZ3-CG2 3.97Å; I44-I504 HydrophobicContact CG2-CG2 3.29Å; Q45-I504 VanDerWaalsContact CD-O 3.31Å; Q45-I504 PolarHBondContact NE2-O 3.37Å; Q45-I504 PolarHBondContact OE1-O 3.15Å; K48-I504 WeakPolarHBondContact CD-O 3.3Å; K48-I504 WeakPolarHBondContact CD-OXT 3.31Å; K48-I504 VanDerWaalsContact CE-OXT 3.23Å; K48-I504 WeakPolarHBondContact CE-OXT 3.13Å; K48-I504 PolarHBondContact NZ-OXT 2.68Å; M501-I504 HydrophobicContact CB-CB 4.48Å; M501-I504 HydrophobicContact CB-CG1 4.5Å; M501-I504 HydrophobicContact CE-CD1 3.48Å; M501-I504 VanDerWaalsContact CE-CD1 3.48Å; M501-I504 HydrophobicContact CE-CG1 4.35Å; M501-I504 HydrophobicContact SD-CD1 3.91Å; M501-I504 HydrophobicContact SD-CG1 4.42Å

Retrieved 504 of 504 residues in 1476.8 ms (Link to these results)

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