A0A3Q0KH08_SCHMA Loading...

deoxyhypusine synthase

AlphaFold DB , UniProt , Accession A0A3Q0KH08, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 362 aa.

Structure Viewer

Loading PAE data...

(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	45	Very low	54.8	Low	246 Å²	246	167.5 Å²	167.5	100%	1.212	82%	0.823	S	S	*	*				0	101.6	0	-82.7	179.3	-106.4	0	0	106.1	E3	M1-E3 PolarHBondContact O-N 3.23Å
2	E	43.7	Very low	55.7	Low	194 Å²	194	166.3 Å²	166.3	91%	0.907	81%	0.813	S	S	*	*			trans	-73.6	115.6	174.5	-75	175	153.9	0	0	108	K4	E2-K4 PolarHBondContact O-N 3.44Å; E2-K4 VanDerWaalsContact O-N 3.09Å
3	E	50.7	Low	57.1	Low	185 Å²	185	159.4 Å²	159.4	86%	0.864	78%	0.782	S	S	*	*			trans	-60.3	109.6	166.6	-91.8	177.8	151.4	0	0	108.2	M1 N5	M1-E3 PolarHBondContact O-N 3.23Å; E3-N5 VanDerWaalsContact C-N 3.32Å; E3-N5 PolarHBondContact O-N 3.29Å
4	K	55	Low	59	Low	177 Å²	177	158.2 Å²	158.2	77%	0.77	78%	0.781	S	S	*	*			trans	-66.5	95.3	168.6	-75.8	-175.2	176.4	-179.7	0	108.3	E2 H6	E2-K4 PolarHBondContact O-N 3.44Å; E2-K4 VanDerWaalsContact O-N 3.09Å; K4-H6 VanDerWaalsContact C-N 3.3Å; K4-H6 PolarHBondContact O-N 2.94Å
5	N	54.1	Low	60.8	Low	156 Å²	156	153.6 Å²	153.6	83%	0.834	75%	0.751	S	S	*	*			trans	-65.7	89.9	165.4	-104.6	-20	0	0	0	108.8	E3	E3-N5 VanDerWaalsContact C-N 3.32Å; E3-N5 PolarHBondContact O-N 3.29Å
6	H	59.7	Low	62.5	Low	150 Å²	150	149.2 Å²	149.2	69%	0.694	74%	0.738	S	S	*	*			trans	-71.7	124.9	166.5	-81	-71.5	0	0	0	108.8	K4 Q8	K4-H6 VanDerWaalsContact C-N 3.3Å; K4-H6 PolarHBondContact O-N 2.94Å; H6-Q8 PolarHBondContact O-N 3.17Å
7	P	58.4	Low	63.7	Low	110 Å²	110	147.8 Å²	147.8	71%	0.714	74%	0.742	S	S	*	*			trans	-62.9	124.7	178.9	22.3	-28.8	0	0	0	109.9	I9	P7-I9 PolarHBondContact O-N 3.44Å
8	Q	58.3	Low	65.3	Low	194 Å²	194	146.2 Å²	146.2	91%	0.907	74%	0.735	S	S	*	*			trans	-69.5	100.5	173.4	-72.6	-160.8	-7.5	0	0	109.2	H6	H6-Q8 PolarHBondContact O-N 3.17Å
9	I	59.8	Low	66.7	Low	147 Å²	147	141.8 Å²	141.8	75%	0.754	71%	0.711	S	S	*	*			trans	-70.7	132.2	166.7	-57.7	174.7	0	0	0	106.9	P7 Y11	P7-I9 PolarHBondContact O-N 3.44Å; I9-Y11 PolarHBondContact O-N 3.43Å
10	P	58.5	Low	67.7	Low	110 Å²	110	138.3 Å²	138.3	71%	0.714	70%	0.697	S	S	*	*			trans	-59	116.2	177.5	5.1	-5.5	0	0	0	109.8	H12	P10-H12 PolarHBondContact O-N 3.39Å; P10-H12 VanDerWaalsContact O-N 3.15Å
11	Y	59.6	Low	68.7	Low	173 Å²	173	137.5 Å²	137.5	68%	0.678	70%	0.695	S	S	*	*			trans	-77.3	97.8	177	-171.6	-96	0	0	0	108.6	I9 D13	I9-Y11 PolarHBondContact O-N 3.43Å; Y11-D13 HydrophobicContact CD1-CB 4.18Å; Y11-D13 HydrophobicContact CE1-CB 3.78Å
12	H	66.3	Low	71	Confident	153 Å²	153	129.2 Å²	129.2	71%	0.708	67%	0.666	S	S	*	*			trans	-80.9	112.5	163.5	-95.9	-73.3	0	0	0	108.2	P10 D14	P10-H12 PolarHBondContact O-N 3.39Å; P10-H12 VanDerWaalsContact O-N 3.15Å; H12-D14 PolarHBondContact O-N 2.95Å; H12-D14 VanDerWaalsContact O-N 3.09Å
13	D	73.2	Confident	73.4	Confident	77 Å²	77	124.4 Å²	124.4	41%	0.412	65%	0.649	S	S	.	*			trans	-79.9	85.5	175.8	-169.1	-2.8	0	0	0	109.8	Y11 R15	Y11-D13 HydrophobicContact CD1-CB 4.18Å; Y11-D13 HydrophobicContact CE1-CB 3.78Å; D13-R15 PolarHBondContact O-N 3.49Å; D13-R15 VanDerWaalsContact OD1-CB 3.27Å; D13-R15 WeakPolarHBondContact OD1-CB 3.43Å; D13-R15 VanDerWaalsContact OD1-CG 3.27Å; D13-R15 WeakPolarHBondContact OD1-CG 3.32Å; D13-R15 IonicContact OD1-CZ 3.47Å; D13-R15 PolarHBondContact OD1-N 3.05Å; D13-R15 IonicContact OD1-NE 2.7Å; D13-R15 PolarHBondContact OD1-NE 2.92Å; D13-R15 IonicContact OD1-NH2 2.96Å; D13-R15 PolarHBondContact OD1-NH2 3.02Å; D13-R15 IonicContact OD2-CZ 3.49Å; D13-R15 IonicContact OD2-NE 3.47Å; D13-R15 PolarHBondContact OD2-NE 3.1Å; D13-R15 IonicContact OD2-NH2 2.68Å; D13-R15 PolarHBondContact OD2-NH2 3.34Å
14	D	83.5	Confident	75.4	Confident	143 Å²	143	119.6 Å²	119.6	77%	0.765	63%	0.629	S	S	*	*			trans	-82	13.4	179.2	-62.3	-26.4	0	0	0	112.8	H12	H12-D14 PolarHBondContact O-N 2.95Å; H12-D14 VanDerWaalsContact O-N 3.09Å
15	R	85.8	Confident	77.1	Confident	89 Å²	89	119.1 Å²	119.1	34%	0.336	63%	0.627	S	S	.	*	S	Bend	trans	-72.6	149.3	-177	-65.5	177.1	-65.3	-173.9	-1.2	111.1	D13 F19	D13-R15 PolarHBondContact O-N 3.49Å; D13-R15 VanDerWaalsContact OD1-CB 3.27Å; D13-R15 WeakPolarHBondContact OD1-CB 3.43Å; D13-R15 VanDerWaalsContact OD1-CG 3.27Å; D13-R15 WeakPolarHBondContact OD1-CG 3.32Å; D13-R15 IonicContact OD1-CZ 3.47Å; D13-R15 PolarHBondContact OD1-N 3.05Å; D13-R15 IonicContact OD1-NE 2.7Å; D13-R15 PolarHBondContact OD1-NE 2.92Å; D13-R15 IonicContact OD1-NH2 2.96Å; D13-R15 PolarHBondContact OD1-NH2 3.02Å; D13-R15 IonicContact OD2-CZ 3.49Å; D13-R15 IonicContact OD2-NE 3.47Å; D13-R15 PolarHBondContact OD2-NE 3.1Å; D13-R15 IonicContact OD2-NH2 2.68Å; D13-R15 PolarHBondContact OD2-NH2 3.34Å; R15-F19 HydrophobicContact CB-CB 4.12Å; R15-F19 HydrophobicContact CB-CD1 4.38Å; R15-F19 HydrophobicContact CB-CG 4.13Å; R15-F19 VanDerWaalsContact NH1-CE1 3.29Å
16	P	88.1	Confident	78.8	Confident	83 Å²	83	116.9 Å²	116.9	54%	0.539	62%	0.621	S	S	.	*			trans	-54.8	144.2	177.6	-24.7	33.2	0	0	0	112.1	I18 F19	P16-I18 HydrophobicContact CB-CG2 4.43Å; P16-I18 PolarHBondContact O-N 3.18Å; P16-F19 WeakPolarHBondContact O-CB 3.31Å; P16-F19 PolarHBondContact O-N 3.04Å
17	P	82.8	Confident	80.3	Confident	125 Å²	125	114.7 Å²	114.7	81%	0.812	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.1	-35.1	-176.4	-27.4	33.7	0	0	0	114.3	F19	P17-F19 PolarHBondContact O-N 3.39Å
18	I	92.8	Very high	82	Confident	120 Å²	120	116.1 Å²	116.1	62%	0.615	63%	0.628	S	S	*	*	H	α-helix	trans	-73.3	-12.7	179.4	-163.2	160.7	0	0	0	113.6	P16 V20 D21 A22	P16-I18 HydrophobicContact CB-CG2 4.43Å; P16-I18 PolarHBondContact O-N 3.18Å; I18-V20 VanDerWaalsContact C-N 3.28Å; I18-V20 PolarHBondContact O-N 3.26Å; I18-D21 PolarHBondContact O-N 3.45Å; I18-A22 HydrophobicContact CG1-CB 4.3Å; I18-A22 VanDerWaalsContact O-CB 3.24Å; I18-A22 WeakPolarHBondContact O-CB 3.49Å; I18-A22 PolarHBondContact O-N 3.33Å
19	F	92.8	Very high	83.6	Confident	62 Å²	62	111.2 Å²	111.2	27%	0.272	62%	0.615	S	S	.	*	H	α-helix	trans	-59.6	-41.1	-176	-175.6	-87.2	0	0	0	111.6	R15 P16 P17 V23 L24	R15-F19 HydrophobicContact CB-CB 4.12Å; R15-F19 HydrophobicContact CB-CD1 4.38Å; R15-F19 HydrophobicContact CB-CG 4.13Å; R15-F19 VanDerWaalsContact NH1-CE1 3.29Å; P16-F19 WeakPolarHBondContact O-CB 3.31Å; P16-F19 PolarHBondContact O-N 3.04Å; P17-F19 PolarHBondContact O-N 3.39Å; F19-V23 HydrophobicContact CD1-CB 4.38Å; F19-V23 HydrophobicContact CD2-CB 4.37Å; F19-V23 HydrophobicContact CD2-CG2 3.9Å; F19-V23 HydrophobicContact CE1-CB 4.12Å; F19-V23 HydrophobicContact CE1-CG1 4.23Å; F19-V23 HydrophobicContact CE2-CB 4.14Å; F19-V23 HydrophobicContact CE2-CG1 4.22Å; F19-V23 HydrophobicContact CE2-CG2 3.84Å; F19-V23 HydrophobicContact CG-CB 4.49Å; F19-V23 HydrophobicContact CG-CG2 4.35Å; F19-V23 HydrophobicContact CZ-CB 4Å; F19-V23 HydrophobicContact CZ-CG1 3.83Å; F19-V23 HydrophobicContact CZ-CG2 4.23Å; F19-V23 WeakPolarHBondContact O-CA 3.25Å; F19-V23 VanDerWaalsContact O-CB 3.24Å; F19-V23 WeakPolarHBondContact O-CB 3.4Å; F19-V23 PolarHBondContact O-N 3.41Å; F19-L24 HydrophobicContact CD1-CD1 4.19Å; F19-L24 HydrophobicContact CD1-CG 4.26Å; F19-L24 HydrophobicContact CE1-CD1 3.9Å; F19-L24 HydrophobicContact CE1-CD2 4.34Å; F19-L24 HydrophobicContact CE1-CG 3.88Å; F19-L24 PolarHBondContact O-N 3.33Å
20	V	86.7	Confident	85.3	Confident	71 Å²	71	109.8 Å²	109.8	43%	0.43	61%	0.608	S	S	.	*	H	α-helix	trans	-65.3	-48.2	179.6	-178.6	0	0	0	0	110.4	I18 A22 L24 K25	I18-V20 VanDerWaalsContact C-N 3.28Å; I18-V20 PolarHBondContact O-N 3.26Å; V20-A22 PolarHBondContact O-N 3.48Å; V20-L24 HydrophobicContact CG1-CB 4.38Å; V20-L24 CarbonylContact O-C 3.48Å; V20-L24 VanDerWaalsContact O-CA 3.29Å; V20-L24 WeakPolarHBondContact O-CA 3.46Å; V20-L24 PolarHBondContact O-N 3.41Å; V20-K25 PolarHBondContact O-N 3.22Å; V20-K25 VanDerWaalsContact O-N 3.15Å
21	D	88.1	Confident	87	Confident	123 Å²	123	109 Å²	109	66%	0.658	60%	0.603	S	S	*	*	H	α-helix	trans	-69.9	-31.6	-177.7	-68.2	-21.6	0	0	0	113.5	I18	I18-D21 PolarHBondContact O-N 3.45Å
22	A	93.8	Very high	88.7	Confident	72 Å²	72	109 Å²	109	60%	0.595	62%	0.615	S	S	*	*	H	α-helix	trans	-87.6	-41.4	-178.6	0	0	0	0	0	113.1	I18 V20	I18-A22 HydrophobicContact CG1-CB 4.3Å; I18-A22 VanDerWaalsContact O-CB 3.24Å; I18-A22 WeakPolarHBondContact O-CB 3.49Å; I18-A22 PolarHBondContact O-N 3.33Å; V20-A22 PolarHBondContact O-N 3.48Å
23	V	93.9	Very high	89.8	Confident	92 Å²	92	104.9 Å²	104.9	56%	0.558	61%	0.614	S	S	*	*	H	α-helix	trans	-106.8	-36.6	-169.6	-174.4	0	0	0	0	112	F19	F19-V23 HydrophobicContact CD1-CB 4.38Å; F19-V23 HydrophobicContact CD2-CB 4.37Å; F19-V23 HydrophobicContact CD2-CG2 3.9Å; F19-V23 HydrophobicContact CE1-CB 4.12Å; F19-V23 HydrophobicContact CE1-CG1 4.23Å; F19-V23 HydrophobicContact CE2-CB 4.14Å; F19-V23 HydrophobicContact CE2-CG1 4.22Å; F19-V23 HydrophobicContact CE2-CG2 3.84Å; F19-V23 HydrophobicContact CG-CB 4.49Å; F19-V23 HydrophobicContact CG-CG2 4.35Å; F19-V23 HydrophobicContact CZ-CB 4Å; F19-V23 HydrophobicContact CZ-CG1 3.83Å; F19-V23 HydrophobicContact CZ-CG2 4.23Å; F19-V23 WeakPolarHBondContact O-CA 3.25Å; F19-V23 VanDerWaalsContact O-CB 3.24Å; F19-V23 WeakPolarHBondContact O-CB 3.4Å; F19-V23 PolarHBondContact O-N 3.41Å
24	L	91.6	Very high	90.8	Very high	85 Å²	85	105.1 Å²	105.1	45%	0.445	62%	0.618	S	S	.	*	S	Bend	trans	-107.6	25	-175.7	-54.7	-179	0	0	0	112.5	F19 V20 P26	F19-L24 HydrophobicContact CD1-CD1 4.19Å; F19-L24 HydrophobicContact CD1-CG 4.26Å; F19-L24 HydrophobicContact CE1-CD1 3.9Å; F19-L24 HydrophobicContact CE1-CD2 4.34Å; F19-L24 HydrophobicContact CE1-CG 3.88Å; F19-L24 PolarHBondContact O-N 3.33Å; V20-L24 HydrophobicContact CG1-CB 4.38Å; V20-L24 CarbonylContact O-C 3.48Å; V20-L24 VanDerWaalsContact O-CA 3.29Å; V20-L24 WeakPolarHBondContact O-CA 3.46Å; V20-L24 PolarHBondContact O-N 3.41Å; L24-P26 VanDerWaalsContact O-CD 3.28Å; L24-P26 WeakPolarHBondContact O-CD 3.46Å; L24-P26 VanDerWaalsContact O-N 3.08Å
25	K	91.5	Very high	91.2	Very high	167 Å²	167	105.6 Å²	105.6	73%	0.726	62%	0.616	S	S	*	*			trans	-55.8	115.8	179.5	-173.8	173.2	179.3	176.9	0	109.7	V20	V20-K25 PolarHBondContact O-N 3.22Å; V20-K25 VanDerWaalsContact O-N 3.15Å
26	P	90.4	Very high	91.6	Very high	109 Å²	109	105.7 Å²	105.7	71%	0.708	62%	0.622	S	S	*	*			trans	-68.5	139.2	-178.1	26.5	-32.7	0	0	0	110.5	L24	L24-P26 VanDerWaalsContact O-CD 3.28Å; L24-P26 WeakPolarHBondContact O-CD 3.46Å; L24-P26 VanDerWaalsContact O-N 3.08Å
27	C	91.4	Very high	92	Very high	103 Å²	103	109.7 Å²	109.7	70%	0.696	63%	0.633	S	S	*	*			trans	-73.3	131.7	171.2	-176.1	0	0	0	0	109.5
28	T	92.5	Very high	92.7	Very high	141 Å²	141	109.6 Å²	109.6	87%	0.865	63%	0.63	S	S	*	*			trans	-84.3	-47	176.1	49.9	0	0	0	0	111.8
29	S	93.6	Very high	93	Very high	91 Å²	91	110.8 Å²	110.8	64%	0.636	63%	0.631	S	S	*	*			trans	-170.4	158.9	177.6	57.7	0	0	0	0	109.6
30	L	94.2	Very high	93.2	Very high	116 Å²	116	109.9 Å²	109.9	61%	0.607	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-78.9	157.5	167.3	-63.9	178.3	0	0	0	110.6	V34	L30-V34 HydrophobicContact CB-CB 4.37Å; L30-V34 HydrophobicContact CD1-CG1 4.27Å
31	P	94.8	Very high	93.7	Very high	94 Å²	94	108.5 Å²	108.5	61%	0.61	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-61.1	154	172.2	-21.4	33	0	0	0	113	G33 V34	P31-G33 PolarHBondContact O-N 3.36Å; P31-V34 HydrophobicContact CB-CG2 4Å; P31-V34 HydrophobicContact CG-CG2 4.3Å; P31-V34 WeakPolarHBondContact O-CB 3.37Å; P31-V34 PolarHBondContact O-N 3.42Å; P31-V34 VanDerWaalsContact O-N 3.14Å
32	D	94.4	Very high	94.2	Very high	172 Å²	172	106.8 Å²	106.8	92%	0.92	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	137.7	176.1	-68.9	-26.8	0	0	0	111.5	V34	D32-V34 VanDerWaalsContact C-N 3.26Å; D32-V34 PolarHBondContact O-N 2.91Å
33	G	91.1	Very high	94.4	Very high	67 Å²	67	109.5 Å²	109.5	69%	0.691	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	81.5	-9.6	-177.8	0	0	0	0	0	115.1	P31 H35	P31-G33 PolarHBondContact O-N 3.36Å; G33-H35 PolarHBondContact O-CE1 3.02Å; G33-H35 PolarHBondContact O-N 3.48Å; G33-H35 VanDerWaalsContact O-N 3.16Å; G33-H35 PolarHBondContact O-ND1 3.36Å
34	V	92.9	Very high	94.6	Very high	82 Å²	82	112.4 Å²	112.4	50%	0.497	63%	0.628	S	S	.	*			trans	-84.5	91	176.3	-175.4	0	0	0	0	110.4	L30 P31 D32	L30-V34 HydrophobicContact CB-CB 4.37Å; L30-V34 HydrophobicContact CD1-CG1 4.27Å; P31-V34 HydrophobicContact CB-CG2 4Å; P31-V34 HydrophobicContact CG-CG2 4.3Å; P31-V34 WeakPolarHBondContact O-CB 3.37Å; P31-V34 PolarHBondContact O-N 3.42Å; P31-V34 VanDerWaalsContact O-N 3.14Å; D32-V34 VanDerWaalsContact C-N 3.26Å; D32-V34 PolarHBondContact O-N 2.91Å
35	H	92.7	Very high	94.8	Very high	154 Å²	154	112.2 Å²	112.2	71%	0.713	64%	0.639	S	S	*	*			trans	-129.3	-12.4	-177.5	61.6	-78	0	0	0	114.5	G33 Q37	G33-H35 PolarHBondContact O-CE1 3.02Å; G33-H35 PolarHBondContact O-N 3.48Å; G33-H35 VanDerWaalsContact O-N 3.16Å; G33-H35 PolarHBondContact O-ND1 3.36Å; H35-Q37 PolarHBondContact O-N 2.96Å
36	I	94	Very high	95.1	Very high	90 Å²	90	106 Å²	106	46%	0.462	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-76.7	118.2	178.6	-58.6	176.7	0	0	0	109	E57 C58	I36-E57 HydrophobicContact CD1-CG 4.37Å; I36-C58 HydrophobicContact CG2-CB 3.63Å
37	Q	96.3	Very high	95.4	Very high	168 Å²	168	106 Å²	106	79%	0.785	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-82.7	140.1	173.8	-67.2	-175.6	-3.4	0	0	110.5	H35 K39 C58	H35-Q37 PolarHBondContact O-N 2.96Å; Q37-K39 PolarHBondContact O-N 2.86Å; Q37-C58 WeakPolarHBondContact O-CB 3.48Å
38	V	98.2	Very high	95.7	Very high	122 Å²	122	104.7 Å²	104.7	74%	0.739	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-67.4	118.5	175.2	178.1	0	0	0	0	109.6	C58	V38-C58 CarbonylContact C-O 3.51Å; V38-C58 VanDerWaalsContact CA-O 3.24Å; V38-C58 WeakPolarHBondContact CA-O 3.16Å
39	K	97.8	Very high	95.9	Very high	145 Å²	145	104.6 Å²	104.6	63%	0.63	59%	0.587	S	S	*	*			trans	-156.6	122.3	179.3	-170.5	176.5	-179.9	-177.7	0	110.4	Q37 C58	Q37-K39 PolarHBondContact O-N 2.86Å; K39-C58 PolarHBondContact N-O 3.39Å; K39-C58 PolarHBondContact O-SG 3.18Å
40	G	97.3	Very high	96	Very high	44 Å²	44	106.2 Å²	106.2	45%	0.454	59%	0.588	S	S	.	*			trans	-80.5	172.3	172.9	0	0	0	0	0	113.3
41	Y	98	Very high	96.1	Very high	41 Å²	41	102.4 Å²	102.4	16%	0.161	57%	0.573	C	S	.	*			trans	-61.8	132.2	172.4	-174.2	-102.8	0	0	0	112	F43 G46 N48 A51 L52	Y41-F43 AromaticContact CD1-CD1 3.99Å; Y41-F43 HydrophobicContact CD1-CD1 3.99Å; Y41-F43 AromaticContact CD1-CD2 3.99Å; Y41-F43 HydrophobicContact CD1-CD2 3.99Å; Y41-F43 HydrophobicContact CD1-CE1 4.01Å; Y41-F43 HydrophobicContact CD1-CE2 4.01Å; Y41-F43 AromaticContact CD1-CG 3.99Å; Y41-F43 HydrophobicContact CD1-CG 3.99Å; Y41-F43 HydrophobicContact CD1-CZ 4.02Å; Y41-F43 AromaticContact CE1-CD1 3.91Å; Y41-F43 HydrophobicContact CE1-CD1 3.91Å; Y41-F43 HydrophobicContact CE1-CE1 4.14Å; Y41-F43 HydrophobicContact CE1-CG 4.17Å; Y41-G46 VanDerWaalsContact CE1-O 3.26Å; Y41-G46 WeakPolarHBondContact CE1-O 3.1Å; Y41-G46 PolarHBondContact OH-O 3.35Å; Y41-N48 PolarHBondContact OH-N 3.26Å; Y41-A51 HydrophobicContact CD2-CB 4.28Å; Y41-A51 HydrophobicContact CE2-CB 3.6Å; Y41-L52 HydrophobicContact CD1-CB 4.44Å; Y41-L52 HydrophobicContact CD1-CD1 4.02Å; Y41-L52 HydrophobicContact CD2-CB 4.34Å; Y41-L52 HydrophobicContact CG-CB 4.22Å; Y41-L52 HydrophobicContact CG-CD1 3.85Å
42	D	97.8	Very high	96.2	Very high	88 Å²	88	99.4 Å²	99.4	47%	0.471	55%	0.552	S	S	.	*			trans	-91.7	102.9	175.9	-176.6	2.9	0	0	0	110.4	N44 A45	D42-N44 PolarHBondContact O-N 3.26Å; D42-N44 VanDerWaalsContact O-N 3.11Å; D42-N44 VanDerWaalsContact OD1-CB 3.25Å; D42-N44 WeakPolarHBondContact OD1-CB 3.23Å; D42-N44 PolarHBondContact OD1-N 3Å; D42-N44 PolarHBondContact OD1-ND2 3.42Å; D42-A45 WeakPolarHBondContact O-CB 3.39Å; D42-A45 PolarHBondContact O-N 3.36Å
43	F	98.2	Very high	96.3	Very high	129 Å²	129	93.4 Å²	93.4	57%	0.566	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-64.6	-11.6	178.8	-75.6	-84.3	0	0	0	114.1	Y41 A45 G46 L47 L52	Y41-F43 AromaticContact CD1-CD1 3.99Å; Y41-F43 HydrophobicContact CD1-CD1 3.99Å; Y41-F43 AromaticContact CD1-CD2 3.99Å; Y41-F43 HydrophobicContact CD1-CD2 3.99Å; Y41-F43 HydrophobicContact CD1-CE1 4.01Å; Y41-F43 HydrophobicContact CD1-CE2 4.01Å; Y41-F43 AromaticContact CD1-CG 3.99Å; Y41-F43 HydrophobicContact CD1-CG 3.99Å; Y41-F43 HydrophobicContact CD1-CZ 4.02Å; Y41-F43 AromaticContact CE1-CD1 3.91Å; Y41-F43 HydrophobicContact CE1-CD1 3.91Å; Y41-F43 HydrophobicContact CE1-CE1 4.14Å; Y41-F43 HydrophobicContact CE1-CG 4.17Å; F43-A45 PolarHBondContact O-N 3.34Å; F43-G46 PolarHBondContact O-N 2.9Å; F43-L47 HydrophobicContact CE1-CD1 4.07Å; F43-L52 HydrophobicContact CZ-CD1 4.1Å; F43-L52 HydrophobicContact CZ-CD2 4.49Å
44	N	98.2	Very high	96.5	Very high	152 Å²	152	93.8 Å²	93.8	81%	0.813	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-64.6	-20.3	169.5	-63.9	-63.7	0	0	0	112.3	D42 G46	D42-N44 PolarHBondContact O-N 3.26Å; D42-N44 VanDerWaalsContact O-N 3.11Å; D42-N44 VanDerWaalsContact OD1-CB 3.25Å; D42-N44 WeakPolarHBondContact OD1-CB 3.23Å; D42-N44 PolarHBondContact OD1-N 3Å; D42-N44 PolarHBondContact OD1-ND2 3.42Å; N44-G46 PolarHBondContact O-N 3.3Å
45	A	95.2	Very high	96.7	Very high	82 Å²	82	90.6 Å²	90.6	68%	0.678	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-76.7	-0.3	172	0	0	0	0	0	113.5	D42 F43	D42-A45 WeakPolarHBondContact O-CB 3.39Å; D42-A45 PolarHBondContact O-N 3.36Å; F43-A45 PolarHBondContact O-N 3.34Å
46	G	97.4	Very high	97	Very high	35 Å²	35	85.7 Å²	85.7	36%	0.361	47%	0.468	S	S	.	.			trans	91.4	-178.2	-174.5	0	0	0	0	0	113	Y41 F43 N44	Y41-G46 VanDerWaalsContact CE1-O 3.26Å; Y41-G46 WeakPolarHBondContact CE1-O 3.1Å; Y41-G46 PolarHBondContact OH-O 3.35Å; F43-G46 PolarHBondContact O-N 2.9Å; N44-G46 PolarHBondContact O-N 3.3Å
47	L	97.5	Very high	97.1	Very high	110 Å²	110	87 Å²	87	58%	0.576	47%	0.472	S	S	*	.			trans	-92.9	107.8	178.2	-179.2	63.6	0	0	0	110.4	F43 Y49	F43-L47 HydrophobicContact CE1-CD1 4.07Å; L47-Y49 HydrophobicContact CD1-CE1 4.35Å; L47-Y49 HydrophobicContact CD1-CE2 4.44Å; L47-Y49 HydrophobicContact CD2-CE2 3.99Å; L47-Y49 HydrophobicContact CG-CE2 4.13Å
48	N	97.5	Very high	97.1	Very high	76 Å²	76	80.7 Å²	80.7	41%	0.406	45%	0.446	S	S	.	.			trans	-130	113.1	171.3	178.9	-28.1	0	0	0	108.3	Y41 D50 A51 L52	Y41-N48 PolarHBondContact OH-N 3.26Å; N48-D50 PolarHBondContact OD1-N 2.88Å; N48-D50 VanDerWaalsContact OD1-N 3.09Å; N48-A51 HydrophobicContact CB-CB 4.01Å; N48-A51 PolarHBondContact OD1-N 3.48Å; N48-L52 VanDerWaalsContact O-CB 3.3Å; N48-L52 WeakPolarHBondContact O-CB 3.49Å; N48-L52 PolarHBondContact O-N 3.23Å
49	Y	96.6	Very high	97.1	Very high	138 Å²	138	77.4 Å²	77.4	54%	0.541	43%	0.426	S	S	.	.	H	α-helix	trans	-68.3	-40.5	-176	-72.5	-78	0	0	0	112.9	L47 A51 L52 F53	L47-Y49 HydrophobicContact CD1-CE1 4.35Å; L47-Y49 HydrophobicContact CD1-CE2 4.44Å; L47-Y49 HydrophobicContact CD2-CE2 3.99Å; L47-Y49 HydrophobicContact CG-CE2 4.13Å; Y49-A51 VanDerWaalsContact C-N 3.31Å; Y49-A51 PolarHBondContact O-N 3.37Å; Y49-L52 HydrophobicContact CD1-CD2 4.4Å; Y49-L52 WeakPolarHBondContact O-CB 3.13Å; Y49-L52 PolarHBondContact O-N 2.86Å; Y49-F53 HydrophobicContact CD1-CE2 4.29Å; Y49-F53 WeakPolarHBondContact O-CD2 3.24Å; Y49-F53 PolarHBondContact O-N 3.48Å
50	D	96	Very high	97.1	Very high	125 Å²	125	71.4 Å²	71.4	67%	0.668	41%	0.405	S	S	*	.	H	α-helix	trans	-61.5	-44.4	178.2	-60.6	-28.3	0	0	0	110.5	N48 S54	N48-D50 PolarHBondContact OD1-N 2.88Å; N48-D50 VanDerWaalsContact OD1-N 3.09Å; D50-S54 VanDerWaalsContact O-CB 3.23Å; D50-S54 WeakPolarHBondContact O-CB 3.47Å; D50-S54 PolarHBondContact O-N 3.39Å; D50-S54 PolarHBondContact O-OG 3.49Å
51	A	96.7	Very high	97.1	Very high	36 Å²	36	78.4 Å²	78.4	30%	0.298	42%	0.424	S	S	.	.	H	α-helix	trans	-69.8	-33.3	177.1	0	0	0	0	0	112.5	Y41 N48 Y49 S55	Y41-A51 HydrophobicContact CD2-CB 4.28Å; Y41-A51 HydrophobicContact CE2-CB 3.6Å; N48-A51 HydrophobicContact CB-CB 4.01Å; N48-A51 PolarHBondContact OD1-N 3.48Å; Y49-A51 VanDerWaalsContact C-N 3.31Å; Y49-A51 PolarHBondContact O-N 3.37Å; A51-S55 PolarHBondContact O-N 2.67Å; A51-S55 VanDerWaalsContact O-N 3.07Å
52	L	97.4	Very high	97.1	Very high	31 Å²	31	79.6 Å²	79.6	16%	0.162	43%	0.431	C	S	.	.	H	α-helix	trans	-63.1	-51.4	173.2	174.2	63.3	0	0	0	111.1	Y41 F43 N48 Y49 S55 F56	Y41-L52 HydrophobicContact CD1-CB 4.44Å; Y41-L52 HydrophobicContact CD1-CD1 4.02Å; Y41-L52 HydrophobicContact CD2-CB 4.34Å; Y41-L52 HydrophobicContact CG-CB 4.22Å; Y41-L52 HydrophobicContact CG-CD1 3.85Å; F43-L52 HydrophobicContact CZ-CD1 4.1Å; F43-L52 HydrophobicContact CZ-CD2 4.49Å; N48-L52 VanDerWaalsContact O-CB 3.3Å; N48-L52 WeakPolarHBondContact O-CB 3.49Å; N48-L52 PolarHBondContact O-N 3.23Å; Y49-L52 HydrophobicContact CD1-CD2 4.4Å; Y49-L52 WeakPolarHBondContact O-CB 3.13Å; Y49-L52 PolarHBondContact O-N 2.86Å; L52-S55 WeakPolarHBondContact O-CB 3.45Å; L52-S55 PolarHBondContact O-N 3.06Å; L52-S55 PolarHBondContact O-OG 2.86Å; L52-F56 HydrophobicContact CD1-CE1 4.31Å; L52-F56 HydrophobicContact CG-CE1 4.42Å; L52-F56 VanDerWaalsContact O-CD1 3.32Å; L52-F56 WeakPolarHBondContact O-CD1 3.2Å
53	F	95.8	Very high	97.2	Very high	46 Å²	46	76.4 Å²	76.4	20%	0.202	42%	0.416	C	S	.	.	H	α-helix	trans	-68.7	-38.3	179	-66.7	-55.6	0	0	0	112	Y49 S55 F56 F66 F362	Y49-F53 HydrophobicContact CD1-CE2 4.29Å; Y49-F53 WeakPolarHBondContact O-CD2 3.24Å; Y49-F53 PolarHBondContact O-N 3.48Å; F53-S55 PolarHBondContact O-N 3.27Å; F53-F56 HydrophobicContact CD1-CD2 4.39Å; F53-F56 AromaticContact CD1-CE2 3.9Å; F53-F56 HydrophobicContact CD1-CE2 3.9Å; F53-F56 AromaticContact CD1-CZ 3.98Å; F53-F56 HydrophobicContact CD1-CZ 3.98Å; F53-F56 HydrophobicContact CE1-CE2 4.31Å; F53-F56 HydrophobicContact CE1-CZ 4.28Å; F53-F56 WeakPolarHBondContact O-CB 3.41Å; F53-F56 PolarHBondContact O-N 2.95Å; F53-F66 HydrophobicContact CD1-CE1 4.37Å; F53-F362 HydrophobicContact CE1-CB 4.4Å; F53-F362 HydrophobicContact CE1-CD1 4.41Å; F53-F362 HydrophobicContact CE1-CG 4.24Å; F53-F362 HydrophobicContact CE2-CD1 4.1Å; F53-F362 HydrophobicContact CZ-CB 4.24Å; F53-F362 AromaticContact CZ-CD1 3.6Å; F53-F362 HydrophobicContact CZ-CD1 3.6Å; F53-F362 HydrophobicContact CZ-CD2 4.5Å; F53-F362 HydrophobicContact CZ-CE1 4.03Å; F53-F362 AromaticContact CZ-CG 3.87Å; F53-F362 HydrophobicContact CZ-CG 3.87Å
54	S	95.8	Very high	97.2	Very high	76 Å²	76	71.6 Å²	71.6	53%	0.531	40%	0.398	S	S	.	.	H	α-helix	trans	-58.2	-33.8	172.9	-61.4	0	0	0	0	112	D50 F56	D50-S54 VanDerWaalsContact O-CB 3.23Å; D50-S54 WeakPolarHBondContact O-CB 3.47Å; D50-S54 PolarHBondContact O-N 3.39Å; D50-S54 PolarHBondContact O-OG 3.49Å; S54-F56 PolarHBondContact O-N 2.9Å
55	S	96.9	Very high	97.2	Very high	15 Å²	15	67.3 Å²	67.3	11%	0.105	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-66.5	-17.3	177.1	81.3	0	0	0	0	113.5	A51 L52 F53 E57 C58 V59	A51-S55 PolarHBondContact O-N 2.67Å; A51-S55 VanDerWaalsContact O-N 3.07Å; L52-S55 WeakPolarHBondContact O-CB 3.45Å; L52-S55 PolarHBondContact O-N 3.06Å; L52-S55 PolarHBondContact O-OG 2.86Å; F53-S55 PolarHBondContact O-N 3.27Å; S55-E57 PolarHBondContact O-N 2.83Å; S55-E57 VanDerWaalsContact O-N 3.11Å; S55-C58 PolarHBondContact O-N 3.32Å; S55-C58 PolarHBondContact O-SG 3.37Å; S55-V59 WeakPolarHBondContact O-CG2 3.45Å; S55-V59 PolarHBondContact O-N 2.79Å
56	F	97.6	Very high	97.3	Very high	51 Å²	51	64.2 Å²	64.2	22%	0.224	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-62	-24.2	-176.7	-77.6	15.3	0	0	0	112.6	L52 F53 S54 C58 V59 A63 T64 F66 A67	L52-F56 HydrophobicContact CD1-CE1 4.31Å; L52-F56 HydrophobicContact CG-CE1 4.42Å; L52-F56 VanDerWaalsContact O-CD1 3.32Å; L52-F56 WeakPolarHBondContact O-CD1 3.2Å; F53-F56 HydrophobicContact CD1-CD2 4.39Å; F53-F56 AromaticContact CD1-CE2 3.9Å; F53-F56 HydrophobicContact CD1-CE2 3.9Å; F53-F56 AromaticContact CD1-CZ 3.98Å; F53-F56 HydrophobicContact CD1-CZ 3.98Å; F53-F56 HydrophobicContact CE1-CE2 4.31Å; F53-F56 HydrophobicContact CE1-CZ 4.28Å; F53-F56 WeakPolarHBondContact O-CB 3.41Å; F53-F56 PolarHBondContact O-N 2.95Å; S54-F56 PolarHBondContact O-N 2.9Å; F56-C58 PolarHBondContact O-N 3.43Å; F56-V59 HydrophobicContact CD1-CG2 4.28Å; F56-V59 PolarHBondContact O-N 2.8Å; F56-A63 HydrophobicContact CB-CB 4.02Å; F56-A63 WeakPolarHBondContact CB-O 3.3Å; F56-A63 HydrophobicContact CD1-CB 4.4Å; F56-A63 HydrophobicContact CD2-CB 4.07Å; F56-A63 HydrophobicContact CG-CB 3.93Å; F56-A63 CarbonylContact O-C 3.58Å; F56-A63 VanDerWaalsContact O-C 3.26Å; F56-T64 VanDerWaalsContact O-CA 3.24Å; F56-T64 WeakPolarHBondContact O-CA 3.49Å; F56-T64 PolarHBondContact O-N 3.37Å; F56-T64 VanDerWaalsContact O-N 3.17Å; F56-T64 PolarHBondContact O-OG1 3.34Å; F56-F66 HydrophobicContact CB-CD1 4.44Å; F56-F66 HydrophobicContact CD2-CB 4.12Å; F56-F66 AromaticContact CD2-CD1 3.63Å; F56-F66 HydrophobicContact CD2-CD1 3.63Å; F56-F66 HydrophobicContact CD2-CE1 4.31Å; F56-F66 AromaticContact CD2-CG 3.97Å; F56-F66 HydrophobicContact CD2-CG 3.97Å; F56-F66 HydrophobicContact CE2-CD1 4.37Å; F56-F66 HydrophobicContact CG-CD1 4.46Å; F56-A67 HydrophobicContact CB-CB 4.33Å
57	E	96.9	Very high	97.3	Very high	118 Å²	118	63.3 Å²	63.3	55%	0.551	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-53.1	-38.7	172.4	-171.7	176.1	-165	0	0	111.9	I36 S55 T64 A67	I36-E57 HydrophobicContact CD1-CG 4.37Å; S55-E57 PolarHBondContact O-N 2.83Å; S55-E57 VanDerWaalsContact O-N 3.11Å; E57-T64 WeakPolarHBondContact O-CG2 3.29Å; E57-T64 PolarHBondContact O-OG1 3.36Å; E57-T64 VanDerWaalsContact O-OG1 3.12Å; E57-A67 HydrophobicContact CB-CB 3.9Å
58	C	97.3	Very high	97.3	Very high	34 Å²	34	63.6 Å²	63.6	23%	0.23	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-110	10.2	-175.8	55.9	0	0	0	0	114.7	I36 Q37 V38 K39 S55 F56	I36-C58 HydrophobicContact CG2-CB 3.63Å; Q37-C58 WeakPolarHBondContact O-CB 3.48Å; V38-C58 CarbonylContact C-O 3.51Å; V38-C58 VanDerWaalsContact CA-O 3.24Å; V38-C58 WeakPolarHBondContact CA-O 3.16Å; K39-C58 PolarHBondContact N-O 3.39Å; K39-C58 PolarHBondContact O-SG 3.18Å; S55-C58 PolarHBondContact O-N 3.32Å; S55-C58 PolarHBondContact O-SG 3.37Å; F56-C58 PolarHBondContact O-N 3.43Å
59	V	97.8	Very high	97.3	Very high	53 Å²	53	60.1 Å²	60.1	32%	0.321	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-38.3	176.4	167.9	0	0	0	0	112.8	S55 F56 A63	S55-V59 WeakPolarHBondContact O-CG2 3.45Å; S55-V59 PolarHBondContact O-N 2.79Å; F56-V59 HydrophobicContact CD1-CG2 4.28Å; F56-V59 PolarHBondContact O-N 2.8Å; V59-A63 HydrophobicContact CB-CB 3.76Å; V59-A63 HydrophobicContact CG1-CB 3.67Å
60	G	97.3	Very high	97.4	Very high	19 Å²	19	57.8 Å²	57.8	20%	0.196	31%	0.306	C	S	.	.			trans	100.2	169.8	-175.3	0	0	0	0	0	114.4	A63 T64	G60-A63 WeakPolarHBondContact O-CB 3.21Å; G60-A63 PolarHBondContact O-N 3.46Å; G60-T64 WeakPolarHBondContact CA-OG1 3.26Å; G60-T64 PolarHBondContact N-OG1 3.11Å
61	F	98	Very high	97.4	Very high	192 Å²	192	57.2 Å²	57.2	84%	0.842	30%	0.299	S	S	*	.	H	α-helix	trans	53	-134.4	-178.8	-50.3	-49.9	0	0	0	113.4	A63 T64 H65	F61-A63 VanDerWaalsContact C-N 3.28Å; F61-A63 PolarHBondContact O-N 3.17Å; F61-T64 PolarHBondContact O-N 3.31Å; F61-H65 PolarHBondContact O-CD2 2.96Å; F61-H65 PolarHBondContact O-N 3.41Å
62	Q	98.2	Very high	97.5	Very high	66 Å²	66	56 Å²	56	31%	0.308	29%	0.287	S	S	.	.	H	α-helix	trans	-70.8	-21	-177.1	-61.5	-53.1	-54.3	0	0	113.3	H65 F66 N353	Q62-H65 WeakPolarHBondContact O-CB 3.48Å; Q62-H65 PolarHBondContact O-N 3.35Å; Q62-H65 PolarHBondContact OE1-ND1 3.22Å; Q62-F66 PolarHBondContact O-N 3.3Å; Q62-N353 PolarHBondContact NE2-ND2 3.02Å
63	A	98.2	Very high	97.5	Very high	20 Å²	20	56.8 Å²	56.8	17%	0.165	29%	0.291	C	S	.	.	H	α-helix	trans	-63.8	-44.7	173	0	0	0	0	0	110.6	F56 V59 G60 F61 H65 F66 A67	F56-A63 HydrophobicContact CB-CB 4.02Å; F56-A63 WeakPolarHBondContact CB-O 3.3Å; F56-A63 HydrophobicContact CD1-CB 4.4Å; F56-A63 HydrophobicContact CD2-CB 4.07Å; F56-A63 HydrophobicContact CG-CB 3.93Å; F56-A63 CarbonylContact O-C 3.58Å; F56-A63 VanDerWaalsContact O-C 3.26Å; V59-A63 HydrophobicContact CB-CB 3.76Å; V59-A63 HydrophobicContact CG1-CB 3.67Å; G60-A63 WeakPolarHBondContact O-CB 3.21Å; G60-A63 PolarHBondContact O-N 3.46Å; F61-A63 VanDerWaalsContact C-N 3.28Å; F61-A63 PolarHBondContact O-N 3.17Å; A63-H65 PolarHBondContact O-N 2.98Å; A63-F66 WeakPolarHBondContact O-CA 3.29Å; A63-F66 VanDerWaalsContact O-CB 3.26Å; A63-F66 WeakPolarHBondContact O-CB 3.38Å; A63-F66 PolarHBondContact O-N 3.42Å; A63-A67 PolarHBondContact O-N 2.77Å; A63-A67 VanDerWaalsContact O-N 3.11Å
64	T	98	Very high	97.6	Very high	28 Å²	28	58.4 Å²	58.4	17%	0.172	30%	0.302	C	S	.	.	H	α-helix	trans	-63.7	-31.2	173.9	-59.7	0	0	0	0	112.1	F56 E57 G60 F61 K68	F56-T64 VanDerWaalsContact O-CA 3.24Å; F56-T64 WeakPolarHBondContact O-CA 3.49Å; F56-T64 PolarHBondContact O-N 3.37Å; F56-T64 VanDerWaalsContact O-N 3.17Å; F56-T64 PolarHBondContact O-OG1 3.34Å; E57-T64 WeakPolarHBondContact O-CG2 3.29Å; E57-T64 PolarHBondContact O-OG1 3.36Å; E57-T64 VanDerWaalsContact O-OG1 3.12Å; G60-T64 WeakPolarHBondContact CA-OG1 3.26Å; G60-T64 PolarHBondContact N-OG1 3.11Å; F61-T64 PolarHBondContact O-N 3.31Å; T64-K68 HydrophobicContact CG2-CD 4.39Å; T64-K68 WeakPolarHBondContact O-CB 3.48Å; T64-K68 VanDerWaalsContact O-CG 3.3Å; T64-K68 WeakPolarHBondContact O-CG 3.33Å; T64-K68 PolarHBondContact O-N 2.72Å
65	H	98.2	Very high	97.7	Very high	63 Å²	63	57.5 Å²	57.5	29%	0.292	29%	0.29	S	S	.	.	H	α-helix	trans	-68.8	-35.1	173.2	-70.1	-157	0	0	0	112.1	F61 Q62 A63 K68 A69 V350 K351 I352	F61-H65 PolarHBondContact O-CD2 2.96Å; F61-H65 PolarHBondContact O-N 3.41Å; Q62-H65 WeakPolarHBondContact O-CB 3.48Å; Q62-H65 PolarHBondContact O-N 3.35Å; Q62-H65 PolarHBondContact OE1-ND1 3.22Å; A63-H65 PolarHBondContact O-N 2.98Å; H65-K68 PolarHBondContact O-N 2.67Å; H65-A69 WeakPolarHBondContact O-CB 3.24Å; H65-A69 PolarHBondContact O-N 2.87Å; H65-V350 HydrophobicContact CB-CG1 4.3Å; H65-V350 VanDerWaalsContact O-CG1 3.28Å; H65-V350 WeakPolarHBondContact O-CG1 3.45Å; H65-K351 PolarHBondContact ND1-O 2.9Å; H65-I352 HydrophobicContact CB-CG1 4.17Å
66	F	98.2	Very high	97.8	Very high	17 Å²	17	56.8 Å²	56.8	8%	0.075	29%	0.285	C	S	.	.	H	α-helix	trans	-58.8	-52.9	172	178.6	-86.7	0	0	0	111.5	F53 F56 Q62 A63 K68 A69 E70 I352 I359 F362	F53-F66 HydrophobicContact CD1-CE1 4.37Å; F56-F66 HydrophobicContact CB-CD1 4.44Å; F56-F66 HydrophobicContact CD2-CB 4.12Å; F56-F66 AromaticContact CD2-CD1 3.63Å; F56-F66 HydrophobicContact CD2-CD1 3.63Å; F56-F66 HydrophobicContact CD2-CE1 4.31Å; F56-F66 AromaticContact CD2-CG 3.97Å; F56-F66 HydrophobicContact CD2-CG 3.97Å; F56-F66 HydrophobicContact CE2-CD1 4.37Å; F56-F66 HydrophobicContact CG-CD1 4.46Å; Q62-F66 PolarHBondContact O-N 3.3Å; A63-F66 WeakPolarHBondContact O-CA 3.29Å; A63-F66 VanDerWaalsContact O-CB 3.26Å; A63-F66 WeakPolarHBondContact O-CB 3.38Å; A63-F66 PolarHBondContact O-N 3.42Å; F66-K68 VanDerWaalsContact C-N 3.3Å; F66-K68 PolarHBondContact O-N 2.66Å; F66-A69 WeakPolarHBondContact O-CB 3.24Å; F66-A69 PolarHBondContact O-N 3.33Å; F66-E70 PolarHBondContact O-N 2.74Å; F66-I352 HydrophobicContact CB-CD1 4.35Å; F66-I352 HydrophobicContact CD2-CD1 4.39Å; F66-I359 HydrophobicContact CD2-CG2 3.67Å; F66-I359 HydrophobicContact CE2-CG2 3.93Å; F66-F362 HydrophobicContact CE2-CB 4.14Å; F66-F362 HydrophobicContact CZ-CB 3.9Å
67	A	97.5	Very high	97.8	Very high	15 Å²	15	57.6 Å²	57.6	12%	0.124	29%	0.291	C	S	.	.	H	α-helix	trans	-61	-38.9	179.1	0	0	0	0	0	112.5	F56 E57 A63 E70 H71	F56-A67 HydrophobicContact CB-CB 4.33Å; E57-A67 HydrophobicContact CB-CB 3.9Å; A63-A67 PolarHBondContact O-N 2.77Å; A63-A67 VanDerWaalsContact O-N 3.11Å; A67-E70 WeakPolarHBondContact O-CB 3.39Å; A67-E70 PolarHBondContact O-N 3.17Å; A67-H71 PolarHBondContact O-N 3.33Å
68	K	97.7	Very high	97.8	Very high	116 Å²	116	57.8 Å²	57.8	50%	0.504	29%	0.29	S	S	.	.	H	α-helix	trans	-63.2	-41.1	173.2	-74.7	176.4	174.9	-173.8	0	112.3	T64 H65 F66 H71 V72 V350	T64-K68 HydrophobicContact CG2-CD 4.39Å; T64-K68 WeakPolarHBondContact O-CB 3.48Å; T64-K68 VanDerWaalsContact O-CG 3.3Å; T64-K68 WeakPolarHBondContact O-CG 3.33Å; T64-K68 PolarHBondContact O-N 2.72Å; H65-K68 PolarHBondContact O-N 2.67Å; F66-K68 VanDerWaalsContact C-N 3.3Å; F66-K68 PolarHBondContact O-N 2.66Å; K68-H71 PolarHBondContact O-N 3.19Å; K68-V72 WeakPolarHBondContact O-CG2 3.44Å; K68-V72 PolarHBondContact O-N 2.72Å; K68-V350 HydrophobicContact CB-CG1 4.15Å; K68-V350 HydrophobicContact CB-CG2 3.86Å
69	A	98.1	Very high	97.8	Very high	4 Å²	4	59.3 Å²	59.3	3%	0.033	29%	0.292	C	S	.	.	H	α-helix	trans	-63.9	-43.5	177	0	0	0	0	0	111	H65 F66 H71 V72 L73 V317 V350 I352	H65-A69 WeakPolarHBondContact O-CB 3.24Å; H65-A69 PolarHBondContact O-N 2.87Å; F66-A69 WeakPolarHBondContact O-CB 3.24Å; F66-A69 PolarHBondContact O-N 3.33Å; A69-H71 VanDerWaalsContact C-N 3.33Å; A69-H71 PolarHBondContact O-N 2.79Å; A69-V72 PolarHBondContact O-N 2.83Å; A69-L73 WeakPolarHBondContact O-CB 3.4Å; A69-L73 VanDerWaalsContact O-CG 3.24Å; A69-L73 WeakPolarHBondContact O-CG 3.21Å; A69-L73 PolarHBondContact O-N 2.86Å; A69-V317 HydrophobicContact CB-CG1 3.82Å; A69-V317 HydrophobicContact CB-CG2 4.22Å; A69-V350 HydrophobicContact CB-CB 4.41Å; A69-V350 HydrophobicContact CB-CG1 3.96Å; A69-I352 HydrophobicContact CB-CD1 3.76Å; A69-I352 HydrophobicContact CB-CG1 4.33Å
70	E	97.2	Very high	97.8	Very high	89 Å²	89	58.7 Å²	58.7	42%	0.416	28%	0.284	S	S	.	.	H	α-helix	trans	-55.5	-46.9	174.3	-173.8	-170.4	-173.6	0	0	111.5	F66 A67 V72 L73 N74	F66-E70 PolarHBondContact O-N 2.74Å; A67-E70 WeakPolarHBondContact O-CB 3.39Å; A67-E70 PolarHBondContact O-N 3.17Å; E70-V72 PolarHBondContact O-N 3.41Å; E70-L73 PolarHBondContact O-N 2.93Å; E70-N74 WeakPolarHBondContact O-CB 3.43Å; E70-N74 PolarHBondContact O-N 3.24Å; E70-N74 PolarHBondContact O-ND2 3.41Å
71	H	97.2	Very high	97.7	Very high	113 Å²	113	62.8 Å²	62.8	52%	0.523	30%	0.302	S	S	.	.	H	α-helix	trans	-58.5	-47.9	176.2	-175.1	68.2	0	0	0	112.2	A67 K68 A69 L73 N74 E75	A67-H71 PolarHBondContact O-N 3.33Å; K68-H71 PolarHBondContact O-N 3.19Å; A69-H71 VanDerWaalsContact C-N 3.33Å; A69-H71 PolarHBondContact O-N 2.79Å; H71-L73 PolarHBondContact O-N 3.42Å; H71-N74 PolarHBondContact O-N 3.35Å; H71-E75 PolarHBondContact O-N 2.9Å
72	V	98	Very high	97.6	Very high	10 Å²	10	58 Å²	58	6%	0.061	28%	0.284	C	S	.	.	H	α-helix	trans	-62.5	-42.6	179	170.2	0	0	0	0	111.5	K68 A69 E70 E75 M76 Y315 V317 V350	K68-V72 WeakPolarHBondContact O-CG2 3.44Å; K68-V72 PolarHBondContact O-N 2.72Å; A69-V72 PolarHBondContact O-N 2.83Å; E70-V72 PolarHBondContact O-N 3.41Å; V72-E75 PolarHBondContact O-N 3.07Å; V72-M76 HydrophobicContact CG1-CE 3.86Å; V72-M76 WeakPolarHBondContact O-CG 3.31Å; V72-M76 PolarHBondContact O-N 2.99Å; V72-Y315 HydrophobicContact CG1-CD1 4.43Å; V72-V317 HydrophobicContact CB-CG2 4Å; V72-V317 HydrophobicContact CG1-CG2 3.64Å; V72-V350 HydrophobicContact CG2-CG2 3.93Å
73	L	98	Very high	97.1	Very high	47 Å²	47	63.3 Å²	63.3	25%	0.246	31%	0.306	C	S	.	.	H	α-helix	trans	-63.8	-42.9	176.6	-69.1	174.3	0	0	0	111.7	A69 E70 H71 E75 M76 I77 I292 V317	A69-L73 WeakPolarHBondContact O-CB 3.4Å; A69-L73 VanDerWaalsContact O-CG 3.24Å; A69-L73 WeakPolarHBondContact O-CG 3.21Å; A69-L73 PolarHBondContact O-N 2.86Å; E70-L73 PolarHBondContact O-N 2.93Å; H71-L73 PolarHBondContact O-N 3.42Å; L73-E75 VanDerWaalsContact C-N 3.33Å; L73-E75 PolarHBondContact O-N 3Å; L73-M76 HydrophobicContact CD2-CE 4.4Å; L73-M76 HydrophobicContact CD2-SD 4.11Å; L73-M76 WeakPolarHBondContact O-CB 3.5Å; L73-M76 PolarHBondContact O-N 3.34Å; L73-I77 WeakPolarHBondContact O-CG1 3.49Å; L73-I77 PolarHBondContact O-N 2.71Å; L73-I292 HydrophobicContact CD2-CD1 3.47Å; L73-I292 VanDerWaalsContact CD2-CD1 3.47Å; L73-I292 HydrophobicContact CD2-CG1 3.63Å; L73-V317 HydrophobicContact CD2-CB 4.31Å; L73-V317 HydrophobicContact CD2-CG2 3.99Å; L73-V317 HydrophobicContact CG-CG2 4.04Å
74	N	97.6	Very high	96.5	Very high	81 Å²	81	64.6 Å²	64.6	43%	0.433	31%	0.313	S	S	.	.	H	α-helix	trans	-63.8	-37.7	176.8	-79.7	-35.5	0	0	0	112.2	E70 H71 I77 K78	E70-N74 WeakPolarHBondContact O-CB 3.43Å; E70-N74 PolarHBondContact O-N 3.24Å; E70-N74 PolarHBondContact O-ND2 3.41Å; H71-N74 PolarHBondContact O-N 3.35Å; N74-I77 PolarHBondContact O-N 3.3Å; N74-K78 VanDerWaalsContact O-CB 3.26Å; N74-K78 WeakPolarHBondContact O-CB 3.18Å; N74-K78 PolarHBondContact O-N 3.05Å
75	E	98.2	Very high	95.9	Very high	56 Å²	56	69.5 Å²	69.5	26%	0.262	34%	0.343	S	S	.	.	H	α-helix	trans	-68.6	-37	173	-73.8	-61	129.6	0	0	112.3	H71 V72 L73 I77 K78 K79 Y315	H71-E75 PolarHBondContact O-N 2.9Å; V72-E75 PolarHBondContact O-N 3.07Å; L73-E75 VanDerWaalsContact C-N 3.33Å; L73-E75 PolarHBondContact O-N 3Å; E75-I77 PolarHBondContact O-N 2.73Å; E75-K78 PolarHBondContact O-N 3.09Å; E75-K78 WeakPolarHBondContact OE1-CD 3.32Å; E75-K78 IonicContact OE1-NZ 3.56Å; E75-K78 PolarHBondContact OE1-NZ 2.98Å; E75-K78 IonicContact OE2-NZ 2.9Å; E75-K78 PolarHBondContact OE2-NZ 3.45Å; E75-K79 WeakPolarHBondContact O-CB 3.39Å; E75-K79 PolarHBondContact O-N 3.36Å; E75-Y315 HydrophobicContact CB-CE1 4.17Å
76	M	98.2	Very high	95.5	Very high	1 Å²	1	68.5 Å²	68.5	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-57.9	-48.5	170.3	-66.9	-179.7	-166.4	0	0	111	V72 L73 K79 R80 I111 I292 Y315 V317	V72-M76 HydrophobicContact CG1-CE 3.86Å; V72-M76 WeakPolarHBondContact O-CG 3.31Å; V72-M76 PolarHBondContact O-N 2.99Å; L73-M76 HydrophobicContact CD2-CE 4.4Å; L73-M76 HydrophobicContact CD2-SD 4.11Å; L73-M76 WeakPolarHBondContact O-CB 3.5Å; L73-M76 PolarHBondContact O-N 3.34Å; M76-K79 PolarHBondContact O-N 3.31Å; M76-R80 VanDerWaalsContact O-CB 3.24Å; M76-R80 WeakPolarHBondContact O-CB 3.22Å; M76-R80 PolarHBondContact O-N 3.47Å; M76-I111 HydrophobicContact CB-CD1 4.07Å; M76-I292 HydrophobicContact CE-CG1 4.37Å; M76-I292 HydrophobicContact SD-CD1 4.41Å; M76-I292 HydrophobicContact SD-CG1 4.09Å; M76-Y315 HydrophobicContact CE-CG 4.47Å; M76-Y315 HydrophobicContact CG-CD1 4.38Å; M76-Y315 HydrophobicContact CG-CD2 3.94Å; M76-Y315 HydrophobicContact CG-CG 3.72Å; M76-V317 HydrophobicContact CE-CG2 4.2Å
77	I	98	Very high	95.1	Very high	67 Å²	67	74.7 Å²	74.7	34%	0.344	37%	0.372	S	S	.	.	H	α-helix	trans	-62.1	-48.6	-179.6	-68.7	165.1	0	0	0	110.8	L73 N74 E75 K79 R80 N81	L73-I77 WeakPolarHBondContact O-CG1 3.49Å; L73-I77 PolarHBondContact O-N 2.71Å; N74-I77 PolarHBondContact O-N 3.3Å; E75-I77 PolarHBondContact O-N 2.73Å; I77-K79 PolarHBondContact O-N 2.9Å; I77-R80 WeakPolarHBondContact O-CB 3.35Å; I77-R80 PolarHBondContact O-N 3.33Å; I77-N81 WeakPolarHBondContact O-CB 3.48Å; I77-N81 PolarHBondContact O-N 2.69Å; I77-N81 PolarHBondContact O-ND2 2.74Å
78	K	98	Very high	94.9	Very high	123 Å²	123	81.2 Å²	81.2	54%	0.535	40%	0.4	S	S	.	.	H	α-helix	trans	-59.1	-47.5	177.6	177.5	-176.2	168.8	-163.1	0	111.1	N74 E75 R80 N81 L82	N74-K78 VanDerWaalsContact O-CB 3.26Å; N74-K78 WeakPolarHBondContact O-CB 3.18Å; N74-K78 PolarHBondContact O-N 3.05Å; E75-K78 PolarHBondContact O-N 3.09Å; E75-K78 WeakPolarHBondContact OE1-CD 3.32Å; E75-K78 IonicContact OE1-NZ 3.56Å; E75-K78 PolarHBondContact OE1-NZ 2.98Å; E75-K78 IonicContact OE2-NZ 2.9Å; E75-K78 PolarHBondContact OE2-NZ 3.45Å; K78-R80 VanDerWaalsContact C-N 3.34Å; K78-R80 PolarHBondContact O-N 3.42Å; K78-N81 PolarHBondContact O-N 3.28Å; K78-L82 PolarHBondContact O-N 3.41Å
79	K	97.2	Very high	94.5	Very high	65 Å²	65	78.2 Å²	78.2	28%	0.283	39%	0.388	S	S	.	.	H	α-helix	trans	-60.3	-45.9	177.2	-172.3	74.2	-173.6	-178.4	0	110.8	E75 M76 I77 N81 L82 Q108 C109 Y315	E75-K79 WeakPolarHBondContact O-CB 3.39Å; E75-K79 PolarHBondContact O-N 3.36Å; M76-K79 PolarHBondContact O-N 3.31Å; I77-K79 PolarHBondContact O-N 2.9Å; K79-N81 VanDerWaalsContact C-N 3.29Å; K79-N81 PolarHBondContact O-N 3.33Å; K79-L82 HydrophobicContact CD-CD1 3.93Å; K79-L82 WeakPolarHBondContact O-CB 3.42Å; K79-L82 WeakPolarHBondContact O-CG 3.39Å; K79-L82 PolarHBondContact O-N 2.96Å; K79-Q108 WeakPolarHBondContact O-CB 3.3Å; K79-C109 HydrophobicContact CB-CB 3.98Å; K79-C109 HydrophobicContact CG-CB 3.8Å; K79-Y315 HydrophobicContact CG-CE2 4.47Å
80	R	96.6	Very high	94.1	Very high	40 Å²	40	81.5 Å²	81.5	15%	0.151	40%	0.404	C	S	.	.	H	α-helix	trans	-57.8	-40.2	179.2	-172.1	175.9	-176.5	-92.4	3.9	112.9	M76 I77 K78 L82 R104 C109 N135 D138	M76-R80 VanDerWaalsContact O-CB 3.24Å; M76-R80 WeakPolarHBondContact O-CB 3.22Å; M76-R80 PolarHBondContact O-N 3.47Å; I77-R80 WeakPolarHBondContact O-CB 3.35Å; I77-R80 PolarHBondContact O-N 3.33Å; K78-R80 VanDerWaalsContact C-N 3.34Å; K78-R80 PolarHBondContact O-N 3.42Å; R80-L82 VanDerWaalsContact C-N 3.27Å; R80-L82 PolarHBondContact O-N 3.01Å; R80-R104 VanDerWaalsContact NH2-NH2 3.14Å; R80-C109 HydrophobicContact CB-CB 4.06Å; R80-C109 WeakPolarHBondContact CG-O 3.41Å; R80-N135 VanDerWaalsContact CZ-O 3.25Å; R80-N135 PolarHBondContact NH1-O 3.2Å; R80-N135 VanDerWaalsContact NH1-O 3.11Å; R80-N135 PolarHBondContact NH2-O 2.98Å; R80-D138 IonicContact CZ-OD1 3.88Å; R80-D138 IonicContact CZ-OD2 3.23Å; R80-D138 IonicContact NE-OD1 3.02Å; R80-D138 PolarHBondContact NE-OD1 2.85Å; R80-D138 IonicContact NE-OD2 2.8Å; R80-D138 PolarHBondContact NE-OD2 3.45Å; R80-D138 IonicContact NH2-OD1 3.82Å; R80-D138 PolarHBondContact NH2-OD1 3.19Å; R80-D138 IonicContact NH2-OD2 3.57Å
81	N	95.6	Very high	93.9	Very high	106 Å²	106	82.5 Å²	82.5	57%	0.567	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-4	-176.9	-71.2	-23.1	0	0	0	114.3	I77 K78 K79	I77-N81 WeakPolarHBondContact O-CB 3.48Å; I77-N81 PolarHBondContact O-N 2.69Å; I77-N81 PolarHBondContact O-ND2 2.74Å; K78-N81 PolarHBondContact O-N 3.28Å; K79-N81 VanDerWaalsContact C-N 3.29Å; K79-N81 PolarHBondContact O-N 3.33Å
82	L	94.9	Very high	93.6	Very high	90 Å²	90	81.6 Å²	81.6	47%	0.471	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-64.4	139.9	170.9	-64.6	177	0	0	0	110.1	K78 K79 R80 Q108	K78-L82 PolarHBondContact O-N 3.41Å; K79-L82 HydrophobicContact CD-CD1 3.93Å; K79-L82 WeakPolarHBondContact O-CB 3.42Å; K79-L82 WeakPolarHBondContact O-CG 3.39Å; K79-L82 PolarHBondContact O-N 2.96Å; R80-L82 VanDerWaalsContact C-N 3.27Å; R80-L82 PolarHBondContact O-N 3.01Å; L82-Q108 HydrophobicContact CB-CB 4.17Å; L82-Q108 HydrophobicContact CB-CG 3.91Å; L82-Q108 WeakPolarHBondContact O-CG 3.27Å
83	K	88.5	Confident	93.2	Very high	178 Å²	178	82.3 Å²	82.3	77%	0.774	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-95.2	144.7	171.8	-66	-174.2	179.7	-178.9	0	109.6	T85	K83-T85 PolarHBondContact O-N 2.83Å
84	P	85	Confident	92.8	Very high	47 Å²	47	85.8 Å²	85.8	31%	0.305	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-50.9	136.8	166.9	-23.1	32.5	0	0	0	110.3	E89 I90	P84-E89 HydrophobicContact CB-CB 3.88Å; P84-I90 HydrophobicContact CB-CG1 3.64Å; P84-I90 HydrophobicContact CG-CG1 4.34Å
85	T	85.8	Confident	92.6	Very high	132 Å²	132	85.2 Å²	85.2	81%	0.81	43%	0.429	S	S	*	.			trans	-107.6	-24.6	-175.2	57.5	0	0	0	0	113	K83 E89	K83-T85 PolarHBondContact O-N 2.83Å; T85-E89 PolarHBondContact N-OE2 3.25Å; T85-E89 PolarHBondContact OG1-OE2 3.42Å
86	S	90.2	Very high	92.3	Very high	41 Å²	41	84.3 Å²	84.3	29%	0.287	43%	0.426	S	S	.	.	S	Bend	trans	-106.5	156.3	177.8	78.1	0	0	0	0	112.1	E88 E89 I90	S86-E88 VanDerWaalsContact C-N 3.28Å; S86-E88 PolarHBondContact O-N 3.25Å; S86-E89 PolarHBondContact O-N 3.09Å; S86-E89 VanDerWaalsContact OG-CG 3.32Å; S86-E89 WeakPolarHBondContact OG-CG 3.5Å; S86-E89 PolarHBondContact OG-N 2.64Å; S86-E89 VanDerWaalsContact OG-N 3.1Å; S86-I90 WeakPolarHBondContact O-CG1 3.3Å; S86-I90 PolarHBondContact O-N 3.22Å
87	H	90.7	Very high	92	Very high	148 Å²	148	86.4 Å²	86.4	69%	0.685	44%	0.435	S	S	*	.	H	α-helix	trans	-60.1	-40.5	174.5	-167.5	69.8	0	0	0	111.6	E89 I90 E91	H87-E89 VanDerWaalsContact C-N 3.35Å; H87-E89 PolarHBondContact O-N 3.35Å; H87-I90 PolarHBondContact O-N 3.09Å; H87-E91 PolarHBondContact O-N 2.91Å
88	E	91.7	Very high	91.7	Very high	152 Å²	152	90.5 Å²	90.5	71%	0.71	45%	0.453	S	S	*	.	H	α-helix	trans	-60.7	-40.4	176.9	-63.7	174.3	177.8	0	0	112.3	S86 I90 L92	S86-E88 VanDerWaalsContact C-N 3.28Å; S86-E88 PolarHBondContact O-N 3.25Å; E88-I90 VanDerWaalsContact C-N 3.33Å; E88-I90 PolarHBondContact O-N 2.93Å; E88-L92 VanDerWaalsContact O-CB 3.25Å; E88-L92 WeakPolarHBondContact O-CB 3.47Å; E88-L92 PolarHBondContact O-N 3.18Å
89	E	89.4	Confident	91.4	Very high	52 Å²	52	89.5 Å²	89.5	24%	0.243	45%	0.449	C	S	.	.	H	α-helix	trans	-66.5	-36	176.6	-75	-178.2	149.8	0	0	111.9	P84 T85 S86 H87 A93 R287	P84-E89 HydrophobicContact CB-CB 3.88Å; T85-E89 PolarHBondContact N-OE2 3.25Å; T85-E89 PolarHBondContact OG1-OE2 3.42Å; S86-E89 PolarHBondContact O-N 3.09Å; S86-E89 VanDerWaalsContact OG-CG 3.32Å; S86-E89 WeakPolarHBondContact OG-CG 3.5Å; S86-E89 PolarHBondContact OG-N 2.64Å; S86-E89 VanDerWaalsContact OG-N 3.1Å; H87-E89 VanDerWaalsContact C-N 3.35Å; H87-E89 PolarHBondContact O-N 3.35Å; E89-A93 VanDerWaalsContact O-CB 3.31Å; E89-A93 WeakPolarHBondContact O-CB 3.43Å; E89-A93 PolarHBondContact O-N 3.2Å; E89-R287 IonicContact OE1-NH2 2.71Å
90	I	90.3	Very high	91.4	Very high	73 Å²	73	87 Å²	87	37%	0.374	44%	0.438	S	S	.	.	H	α-helix	trans	-68.9	-48.2	177.7	-64.8	168.6	0	0	0	110.4	P84 S86 H87 E88 A93 Q94	P84-I90 HydrophobicContact CB-CG1 3.64Å; P84-I90 HydrophobicContact CG-CG1 4.34Å; S86-I90 WeakPolarHBondContact O-CG1 3.3Å; S86-I90 PolarHBondContact O-N 3.22Å; H87-I90 PolarHBondContact O-N 3.09Å; E88-I90 VanDerWaalsContact C-N 3.33Å; E88-I90 PolarHBondContact O-N 2.93Å; I90-A93 PolarHBondContact O-N 3.42Å; I90-Q94 WeakPolarHBondContact O-CG 3.39Å; I90-Q94 PolarHBondContact O-N 3.05Å
91	E	92.2	Very high	91.3	Very high	110 Å²	110	87.3 Å²	87.3	51%	0.514	45%	0.445	S	S	.	.	H	α-helix	trans	-62.4	-45.2	179.8	-172	177.4	-173.6	0	0	110.9	H87 A93 Q94 V95	H87-E91 PolarHBondContact O-N 2.91Å; E91-A93 VanDerWaalsContact C-N 3.34Å; E91-A93 PolarHBondContact O-N 2.9Å; E91-Q94 WeakPolarHBondContact O-CB 3.39Å; E91-Q94 PolarHBondContact O-N 2.99Å; E91-V95 WeakPolarHBondContact O-CG2 3.33Å; E91-V95 PolarHBondContact O-N 3.24Å
92	L	91.7	Very high	91.4	Very high	94 Å²	94	84.4 Å²	84.4	49%	0.492	43%	0.43	S	S	.	.	H	α-helix	trans	-60.2	-43.5	175.4	-178.9	61.6	0	0	0	111.7	E88 Q94 V95 L96	E88-L92 VanDerWaalsContact O-CB 3.25Å; E88-L92 WeakPolarHBondContact O-CB 3.47Å; E88-L92 PolarHBondContact O-N 3.18Å; L92-Q94 VanDerWaalsContact C-N 3.29Å; L92-Q94 PolarHBondContact O-N 3.25Å; L92-V95 PolarHBondContact O-N 3.46Å; L92-L96 HydrophobicContact CD1-CD1 3.93Å; L92-L96 HydrophobicContact CD1-CD2 4.47Å; L92-L96 HydrophobicContact CD1-CG 3.97Å; L92-L96 HydrophobicContact CD2-CD1 4.44Å; L92-L96 HydrophobicContact CG-CD1 3.82Å; L92-L96 HydrophobicContact CG-CG 4.25Å; L92-L96 WeakPolarHBondContact O-CB 3.48Å; L92-L96 VanDerWaalsContact O-CG 3.23Å; L92-L96 WeakPolarHBondContact O-CG 3.19Å; L92-L96 PolarHBondContact O-N 3.48Å
93	A	89.5	Confident	91.4	Very high	26 Å²	26	84.1 Å²	84.1	22%	0.215	43%	0.428	C	S	.	.	H	α-helix	trans	-62.3	-36.3	177.9	0	0	0	0	0	112.5	E89 I90 E91 Q97	E89-A93 VanDerWaalsContact O-CB 3.31Å; E89-A93 WeakPolarHBondContact O-CB 3.43Å; E89-A93 PolarHBondContact O-N 3.2Å; I90-A93 PolarHBondContact O-N 3.42Å; E91-A93 VanDerWaalsContact C-N 3.34Å; E91-A93 PolarHBondContact O-N 2.9Å; A93-Q97 VanDerWaalsContact O-CB 3.24Å; A93-Q97 WeakPolarHBondContact O-CB 3.23Å; A93-Q97 PolarHBondContact O-N 3.39Å
94	Q	90.1	Very high	91.7	Very high	119 Å²	119	76.2 Å²	76.2	56%	0.556	39%	0.394	S	S	*	.	H	α-helix	trans	-66.9	-46.1	176	-72.3	173.7	-11.8	0	0	111.8	I90 E91 L92 L96 Q97	I90-Q94 WeakPolarHBondContact O-CG 3.39Å; I90-Q94 PolarHBondContact O-N 3.05Å; E91-Q94 WeakPolarHBondContact O-CB 3.39Å; E91-Q94 PolarHBondContact O-N 2.99Å; L92-Q94 VanDerWaalsContact C-N 3.29Å; L92-Q94 PolarHBondContact O-N 3.25Å; Q94-L96 VanDerWaalsContact C-N 3.35Å; Q94-L96 PolarHBondContact O-N 3.06Å; Q94-Q97 WeakPolarHBondContact O-CB 3.46Å; Q94-Q97 PolarHBondContact O-N 3.38Å
95	V	92.9	Very high	92	Very high	70 Å²	70	78 Å²	78	42%	0.424	41%	0.406	S	S	.	.	H	α-helix	trans	-61.4	-44.9	176.2	173.4	0	0	0	0	110.8	E91 L92 Q97 E98 F99	E91-V95 WeakPolarHBondContact O-CG2 3.33Å; E91-V95 PolarHBondContact O-N 3.24Å; L92-V95 PolarHBondContact O-N 3.46Å; V95-Q97 VanDerWaalsContact C-N 3.31Å; V95-Q97 PolarHBondContact O-N 3.37Å; V95-E98 WeakPolarHBondContact O-CB 3.17Å; V95-E98 PolarHBondContact O-N 3.35Å; V95-F99 HydrophobicContact CG1-CE2 4.39Å; V95-F99 WeakPolarHBondContact O-CD2 3.41Å
96	L	92.4	Very high	92.3	Very high	37 Å²	37	73.9 Å²	73.9	19%	0.194	38%	0.378	C	S	.	.	H	α-helix	trans	-68.9	-29.8	-179.5	-67.1	177.7	0	0	0	112.8	L92 Q94 E98 F99 L106 N285	L92-L96 HydrophobicContact CD1-CD1 3.93Å; L92-L96 HydrophobicContact CD1-CD2 4.47Å; L92-L96 HydrophobicContact CD1-CG 3.97Å; L92-L96 HydrophobicContact CD2-CD1 4.44Å; L92-L96 HydrophobicContact CG-CD1 3.82Å; L92-L96 HydrophobicContact CG-CG 4.25Å; L92-L96 WeakPolarHBondContact O-CB 3.48Å; L92-L96 VanDerWaalsContact O-CG 3.23Å; L92-L96 WeakPolarHBondContact O-CG 3.19Å; L92-L96 PolarHBondContact O-N 3.48Å; Q94-L96 VanDerWaalsContact C-N 3.35Å; Q94-L96 PolarHBondContact O-N 3.06Å; L96-E98 PolarHBondContact O-N 3.43Å; L96-F99 PolarHBondContact O-N 2.92Å; L96-L106 HydrophobicContact CB-CD1 3.39Å; L96-L106 HydrophobicContact CD1-CD1 4.44Å; L96-N285 HydrophobicContact CB-CB 4.39Å; L96-N285 HydrophobicContact CD2-CB 4.05Å
97	Q	92.4	Very high	92.5	Very high	44 Å²	44	72.9 Å²	72.9	21%	0.206	37%	0.371	C	S	.	.	H	α-helix	trans	-62.1	-29.5	175.1	164.9	177	-7.5	0	0	112.3	A93 Q94 V95 F99 H100 N103 R104	A93-Q97 VanDerWaalsContact O-CB 3.24Å; A93-Q97 WeakPolarHBondContact O-CB 3.23Å; A93-Q97 PolarHBondContact O-N 3.39Å; Q94-Q97 WeakPolarHBondContact O-CB 3.46Å; Q94-Q97 PolarHBondContact O-N 3.38Å; V95-Q97 VanDerWaalsContact C-N 3.31Å; V95-Q97 PolarHBondContact O-N 3.37Å; Q97-F99 PolarHBondContact O-N 2.99Å; Q97-H100 WeakPolarHBondContact O-CB 3.39Å; Q97-H100 PolarHBondContact O-N 3.46Å; Q97-N103 WeakPolarHBondContact CG-OD1 3.35Å; Q97-N103 PolarHBondContact NE2-O 2.99Å; Q97-N103 PolarHBondContact NE2-OD1 2.82Å; Q97-R104 WeakPolarHBondContact CG-O 3.32Å
98	E	91.4	Very high	92.7	Very high	153 Å²	153	67.1 Å²	67.1	72%	0.715	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.9	176.7	-61.9	-174.8	166.4	0	0	112.8	V95 L96 H100	V95-E98 WeakPolarHBondContact O-CB 3.17Å; V95-E98 PolarHBondContact O-N 3.35Å; L96-E98 PolarHBondContact O-N 3.43Å; E98-H100 VanDerWaalsContact C-N 3.32Å
99	F	91.9	Very high	92.9	Very high	102 Å²	102	59.9 Å²	59.9	45%	0.447	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-6.7	175.4	-60.7	-82.4	0	0	0	113.2	V95 L96 Q97 N285	V95-F99 HydrophobicContact CG1-CE2 4.39Å; V95-F99 WeakPolarHBondContact O-CD2 3.41Å; L96-F99 PolarHBondContact O-N 2.92Å; Q97-F99 PolarHBondContact O-N 2.99Å; F99-N285 WeakPolarHBondContact CB-ND2 3.37Å
100	H	95.9	Very high	93.4	Very high	13 Å²	13	57.7 Å²	57.7	6%	0.06	30%	0.301	C	S	.	.	S	Bend	trans	-72.4	129.3	176.5	-171.4	-74.3	0	0	0	109.5	Q97 E98 L102 N103 R104 L282	Q97-H100 WeakPolarHBondContact O-CB 3.39Å; Q97-H100 PolarHBondContact O-N 3.46Å; E98-H100 VanDerWaalsContact C-N 3.32Å; H100-L102 PolarHBondContact ND1-N 3.02Å; H100-L102 PolarHBondContact O-N 3.27Å; H100-N103 PolarHBondContact ND1-N 3.22Å; H100-N103 PolarHBondContact O-N 3Å; H100-R104 WeakPolarHBondContact CE1-CB 3.39Å; H100-R104 WeakPolarHBondContact ND1-CB 3.18Å; H100-R104 PolarHBondContact ND1-N 3.15Å; H100-L282 WeakPolarHBondContact CD2-CD2 3.46Å
101	P	95.8	Very high	93.8	Very high	46 Å²	46	54.4 Å²	54.4	30%	0.299	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.4	-174	23.1	-34.6	0	0	0	113.9	P243 N278 L282	P101-P243 HydrophobicContact CG-CB 4.26Å; P101-P243 HydrophobicContact CG-CG 4.43Å; P101-N278 HydrophobicContact CB-CB 4.38Å; P101-N278 HydrophobicContact CG-CB 4.38Å; P101-L282 HydrophobicContact CG-CD1 4.32Å
102	L	96.9	Very high	94.1	Very high	46 Å²	46	49.2 Å²	49.2	24%	0.241	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112	11.8	176.9	-55.6	176.1	0	0	0	114.1	H100 R104 K241 P243	H100-L102 PolarHBondContact ND1-N 3.02Å; H100-L102 PolarHBondContact O-N 3.27Å; L102-R104 VanDerWaalsContact C-N 3.34Å; L102-R104 PolarHBondContact O-N 3.09Å; L102-K241 HydrophobicContact CB-CB 3.95Å; L102-K241 HydrophobicContact CD1-CB 4.34Å; L102-K241 WeakPolarHBondContact CD1-O 3.36Å; L102-K241 WeakPolarHBondContact O-CD 3.18Å; L102-P243 HydrophobicContact CD1-CB 4.15Å
103	N	94.9	Very high	94.4	Very high	83 Å²	83	44.7 Å²	44.7	44%	0.444	24%	0.236	S	C	.	.			trans	48.6	54.1	-176.8	-170.9	10.2	0	0	0	112.1	Q97 H100	Q97-N103 WeakPolarHBondContact CG-OD1 3.35Å; Q97-N103 PolarHBondContact NE2-O 2.99Å; Q97-N103 PolarHBondContact NE2-OD1 2.82Å; H100-N103 PolarHBondContact ND1-N 3.22Å; H100-N103 PolarHBondContact O-N 3Å
104	R	94.1	Very high	94.9	Very high	13 Å²	13	43.5 Å²	43.5	5%	0.049	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-95.7	136	-179.3	-179.5	-169.3	166.3	83.9	-8.2	108.8	R80 Q97 H100 L102 L106 N135 V137 D138 N240 K241	R80-R104 VanDerWaalsContact NH2-NH2 3.14Å; Q97-R104 WeakPolarHBondContact CG-O 3.32Å; H100-R104 WeakPolarHBondContact CE1-CB 3.39Å; H100-R104 WeakPolarHBondContact ND1-CB 3.18Å; H100-R104 PolarHBondContact ND1-N 3.15Å; L102-R104 VanDerWaalsContact C-N 3.34Å; L102-R104 PolarHBondContact O-N 3.09Å; R104-L106 PolarHBondContact O-N 3.47Å; R104-N135 PolarHBondContact NH1-OD1 3.23Å; R104-N135 PolarHBondContact NH2-ND2 2.61Å; R104-N135 PolarHBondContact NH2-OD1 3.07Å; R104-V137 PolarHBondContact NH2-O 3.11Å; R104-D138 IonicContact CZ-OD1 3.31Å; R104-D138 IonicContact NE-OD1 3.04Å; R104-D138 PolarHBondContact NE-OD1 3.22Å; R104-D138 IonicContact NH2-OD1 2.76Å; R104-D138 PolarHBondContact NH2-OD1 2.95Å; R104-N240 PolarHBondContact NH1-O 3.07Å; R104-K241 HydrophobicContact CB-CB 4.31Å; R104-K241 WeakPolarHBondContact CD-O 3.44Å
105	P	92.1	Very high	95.3	Very high	85 Å²	85	37.8 Å²	37.8	55%	0.552	20%	0.2	S	C	*	.	P	Polyproline II helix	trans	-56.3	133.7	172.1	-25	34.7	0	0	0	111.8
106	L	92.1	Very high	95.6	Very high	44 Å²	44	35.7 Å²	35.7	23%	0.23	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-78.1	137.3	179.3	-60.9	177.8	0	0	0	110.8	L96 R104	L96-L106 HydrophobicContact CB-CD1 3.39Å; L96-L106 HydrophobicContact CD1-CD1 4.44Å; R104-L106 PolarHBondContact O-N 3.47Å
107	S	93.1	Very high	95.9	Very high	21 Å²	21	35.3 Å²	35.3	15%	0.147	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-88	164.7	170.9	60.9	0	0	0	0	110.7	C109 D138	S107-C109 PolarHBondContact O-N 3.48Å; S107-C109 PolarHBondContact OG-O 2.95Å; S107-D138 PolarHBondContact OG-OD2 3.06Å
108	Q	95	Very high	96.2	Very high	26 Å²	26	36.9 Å²	36.9	12%	0.121	20%	0.197	C	C	.	.	S	Bend	trans	-69.5	-20	175	-73.2	-65.7	-43	0	0	112.7	K79 L82 T288	K79-Q108 WeakPolarHBondContact O-CB 3.3Å; L82-Q108 HydrophobicContact CB-CB 4.17Å; L82-Q108 HydrophobicContact CB-CG 3.91Å; L82-Q108 WeakPolarHBondContact O-CG 3.27Å; Q108-T288 PolarHBondContact O-N 3.25Å; Q108-T288 PolarHBondContact O-OG1 3.45Å
109	C	97.5	Very high	96.5	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-136.3	108.9	171	178.8	0	0	0	0	109.6	K79 R80 S107 I111 T288	K79-C109 HydrophobicContact CB-CB 3.98Å; K79-C109 HydrophobicContact CG-CB 3.8Å; R80-C109 HydrophobicContact CB-CB 4.06Å; R80-C109 WeakPolarHBondContact CG-O 3.41Å; S107-C109 PolarHBondContact O-N 3.48Å; S107-C109 PolarHBondContact OG-O 2.95Å; C109-I111 PolarHBondContact O-N 3.04Å; C109-T288 CarbonylContact C-O 3.26Å; C109-T288 WeakPolarHBondContact CA-O 3.49Å; C109-T288 VanDerWaalsContact CA-OG1 3.29Å; C109-T288 WeakPolarHBondContact CA-OG1 3.31Å; C109-T288 VanDerWaalsContact CB-OG1 3.3Å; C109-T288 WeakPolarHBondContact CB-OG1 3.3Å
110	T	98.2	Very high	96.8	Very high	6 Å²	6	25.1 Å²	25.1	4%	0.037	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	111.3	175.7	-56.4	0	0	0	0	109.1	F112 D138 V139 A286 T288 T289 G290	T110-F112 HydrophobicContact CG2-CD2 4.28Å; T110-F112 HydrophobicContact CG2-CE2 3.75Å; T110-F112 HydrophobicContact CG2-CZ 4.33Å; T110-D138 WeakPolarHBondContact CA-OD2 3.17Å; T110-D138 HydrophobicContact CG2-CB 3.78Å; T110-V139 HydrophobicContact CG2-CG2 4.12Å; T110-A286 WeakPolarHBondContact OG1-CB 3.45Å; T110-T288 PolarHBondContact N-O 2.57Å; T110-T289 WeakPolarHBondContact O-CA 3.36Å; T110-G290 PolarHBondContact O-N 3.22Å; T110-G290 VanDerWaalsContact O-N 3.09Å
111	I	98.8	Very high	97	Very high	5 Å²	5	24.7 Å²	24.7	3%	0.026	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	117.1	-178.6	-60	179.4	0	0	0	110.2	M76 C109 V137 D138 V139 G290 I292	M76-I111 HydrophobicContact CB-CD1 4.07Å; C109-I111 PolarHBondContact O-N 3.04Å; I111-V137 HydrophobicContact CG2-CB 4.46Å; I111-V137 HydrophobicContact CG2-CG1 4.05Å; I111-D138 PolarHBondContact N-OD2 3.45Å; I111-D138 PolarHBondContact O-N 3.03Å; I111-V139 PolarHBondContact O-N 2.91Å; I111-V139 VanDerWaalsContact O-N 3.09Å; I111-G290 WeakPolarHBondContact CA-O 3.25Å; I111-I292 HydrophobicContact CG2-CD1 3.79Å; I111-I292 HydrophobicContact CG2-CG1 4.2Å
112	F	98.9	Very high	97.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	118.7	170.3	-68.7	-105.4	0	0	0	109.3	T110 V139 I279 L282 A283 T289 G290 I292 T303	T110-F112 HydrophobicContact CG2-CD2 4.28Å; T110-F112 HydrophobicContact CG2-CE2 3.75Å; T110-F112 HydrophobicContact CG2-CZ 4.33Å; F112-V139 WeakPolarHBondContact CA-O 3.39Å; F112-V139 HydrophobicContact CD1-CB 3.63Å; F112-V139 HydrophobicContact CD1-CG1 3.67Å; F112-V139 HydrophobicContact CD1-CG2 4.09Å; F112-V139 HydrophobicContact CE1-CB 3.86Å; F112-V139 HydrophobicContact CE1-CG1 3.78Å; F112-V139 HydrophobicContact CE1-CG2 3.83Å; F112-V139 HydrophobicContact CG-CB 4.11Å; F112-V139 HydrophobicContact CZ-CG2 4.06Å; F112-I279 HydrophobicContact CE1-CD1 4.46Å; F112-I279 HydrophobicContact CE1-CG1 4.02Å; F112-L282 HydrophobicContact CZ-CB 4.35Å; F112-A283 HydrophobicContact CZ-CB 4.06Å; F112-T289 HydrophobicContact CE2-CG2 3.93Å; F112-G290 PolarHBondContact N-O 3.18Å; F112-I292 PolarHBondContact O-N 3.22Å; F112-T303 HydrophobicContact CB-CG2 3.67Å; F112-T303 HydrophobicContact CD1-CG2 4.19Å; F112-T303 HydrophobicContact CG-CG2 4.18Å
113	L	98.9	Very high	97.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	120	171.1	176.2	64.3	0	0	0	109.2	Y115 I128 L131 V137 V139 I140 V141 I292 F360	L113-Y115 HydrophobicContact CD2-CD1 4.24Å; L113-Y115 HydrophobicContact CD2-CE1 4.24Å; L113-Y115 HydrophobicContact CG-CD1 4.01Å; L113-Y115 HydrophobicContact CG-CE1 4.33Å; L113-I128 HydrophobicContact CD2-CG2 4.15Å; L113-L131 HydrophobicContact CD2-CD1 4.06Å; L113-V137 HydrophobicContact CB-CB 4.24Å; L113-V137 HydrophobicContact CB-CG1 3.94Å; L113-V137 HydrophobicContact CB-CG2 4.5Å; L113-V137 HydrophobicContact CD2-CG1 4.18Å; L113-V137 HydrophobicContact CD2-CG2 4.47Å; L113-V139 PolarHBondContact N-O 3.34Å; L113-I140 CarbonylContact O-C 3.57Å; L113-I140 VanDerWaalsContact O-CA 3.26Å; L113-I140 WeakPolarHBondContact O-CA 3.45Å; L113-V141 PolarHBondContact O-N 2.95Å; L113-I292 CarbonylContact C-O 3.6Å; L113-I292 WeakPolarHBondContact CA-O 3.39Å; L113-I292 HydrophobicContact CD1-CB 3.98Å; L113-I292 HydrophobicContact CD1-CG2 3.86Å; L113-F360 HydrophobicContact CD1-CZ 4.18Å
114	A	98.9	Very high	97.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.9	176	0	0	0	0	0	110.7	V141 I292 V293 L294 I299 T303	A114-V141 WeakPolarHBondContact CA-O 3.3Å; A114-V141 HydrophobicContact CB-CB 4.13Å; A114-I292 PolarHBondContact N-O 2.88Å; A114-V293 HydrophobicContact CB-CB 4.5Å; A114-V293 HydrophobicContact CB-CG1 4.28Å; A114-V293 HydrophobicContact CB-CG2 4.03Å; A114-V293 CarbonylContact O-C 3.52Å; A114-V293 WeakPolarHBondContact O-CA 3.03Å; A114-L294 PolarHBondContact O-N 2.82Å; A114-I299 HydrophobicContact CB-CB 4.33Å; A114-I299 HydrophobicContact CB-CD1 3.82Å; A114-T303 WeakPolarHBondContact CB-OG1 3.38Å
115	Y	98.9	Very high	97.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	149.8	177.6	51.2	-98.8	0	0	0	111.9	L113 V120 I128 I140 V141 T142 Y234 L294	L113-Y115 HydrophobicContact CD2-CD1 4.24Å; L113-Y115 HydrophobicContact CD2-CE1 4.24Å; L113-Y115 HydrophobicContact CG-CD1 4.01Å; L113-Y115 HydrophobicContact CG-CE1 4.33Å; Y115-V120 HydrophobicContact CD2-CG2 3.85Å; Y115-V120 HydrophobicContact CE2-CG2 3.43Å; Y115-V120 VanDerWaalsContact CE2-CG2 3.43Å; Y115-I128 HydrophobicContact CD1-CD1 3.64Å; Y115-I128 HydrophobicContact CD1-CG1 4.19Å; Y115-I128 HydrophobicContact CD1-CG2 4.18Å; Y115-I128 HydrophobicContact CD2-CD1 4Å; Y115-I128 HydrophobicContact CE1-CD1 3.92Å; Y115-I128 HydrophobicContact CE1-CG1 4.31Å; Y115-I128 HydrophobicContact CE1-CG2 3.47Å; Y115-I128 VanDerWaalsContact CE1-CG2 3.47Å; Y115-I128 HydrophobicContact CE2-CD1 4.26Å; Y115-I128 HydrophobicContact CG-CD1 3.69Å; Y115-I140 HydrophobicContact CE1-CD1 4.44Å; Y115-I140 HydrophobicContact CE1-CG2 3.56Å; Y115-I140 WeakPolarHBondContact OH-CG2 3.43Å; Y115-V141 PolarHBondContact N-O 3.06Å; Y115-V141 VanDerWaalsContact N-O 3.13Å; Y115-T142 HydrophobicContact CE2-CG2 4.23Å; Y115-T142 WeakPolarHBondContact CE2-OG1 3.25Å; Y115-T142 PolarHBondContact O-OG1 3.4Å; Y115-Y234 PolarHBondContact OH-OH 3.42Å; Y115-L294 WeakPolarHBondContact CA-O 3.38Å
116	T	98.9	Very high	97.9	Very high	26 Å²	26	18.7 Å²	18.7	16%	0.16	11%	0.114	C	C	.	.			trans	-78.6	157.6	174.2	49.7	0	0	0	0	111.8	N118 M119 L294 I299	T116-N118 WeakPolarHBondContact CB-OD1 3.48Å; T116-N118 PolarHBondContact O-N 3.1Å; T116-N118 VanDerWaalsContact O-N 3.13Å; T116-N118 PolarHBondContact OG1-OD1 3.25Å; T116-M119 WeakPolarHBondContact O-CB 3.44Å; T116-M119 PolarHBondContact O-N 2.99Å; T116-L294 PolarHBondContact N-O 3.25Å; T116-I299 HydrophobicContact CG2-CD1 4.24Å; T116-I299 HydrophobicContact CG2-CG1 3.93Å
117	S	98.7	Very high	98.2	Very high	28 Å²	28	18.4 Å²	18.4	20%	0.196	11%	0.113	C	C	.	.	H	α-helix	trans	-48.1	-44.3	-177.9	-57.9	0	0	0	0	113.8	M119 V120 S121 S143 G145 G146	S117-M119 PolarHBondContact O-N 3.3Å; S117-M119 VanDerWaalsContact O-N 3.09Å; S117-V120 WeakPolarHBondContact O-CA 3.29Å; S117-V120 PolarHBondContact O-N 3.41Å; S117-S121 PolarHBondContact O-N 3.41Å; S117-S121 VanDerWaalsContact O-N 3.12Å; S117-S121 PolarHBondContact O-OG 2.9Å; S117-S143 PolarHBondContact N-OG 2.91Å; S117-S143 PolarHBondContact OG-OG 2.86Å; S117-G145 VanDerWaalsContact OG-CA 3.24Å; S117-G145 WeakPolarHBondContact OG-CA 3.34Å; S117-G145 PolarHBondContact OG-N 2.66Å; S117-G146 VanDerWaalsContact CB-N 3.35Å; S117-G146 PolarHBondContact OG-N 2.79Å; S117-G146 VanDerWaalsContact OG-N 3.11Å
118	N	98.6	Very high	98.5	Very high	77 Å²	77	17.4 Å²	17.4	41%	0.412	11%	0.106	S	C	.	.	H	α-helix	trans	-62.4	-19.7	-176.6	64.3	-53.1	0	0	0	114	T116 V120 S121 S122	T116-N118 WeakPolarHBondContact CB-OD1 3.48Å; T116-N118 PolarHBondContact O-N 3.1Å; T116-N118 VanDerWaalsContact O-N 3.13Å; T116-N118 PolarHBondContact OG1-OD1 3.25Å; N118-V120 VanDerWaalsContact C-N 3.32Å; N118-S121 WeakPolarHBondContact CA-OG 3.34Å; N118-S121 PolarHBondContact O-N 3.41Å; N118-S122 WeakPolarHBondContact O-CB 3.32Å; N118-S122 PolarHBondContact O-N 3Å
119	M	98.7	Very high	98.7	Very high	8 Å²	8	18.9 Å²	18.9	4%	0.039	11%	0.111	C	C	.	.	H	α-helix	trans	-66.2	-37.8	171.4	-63.1	-60.2	98.5	0	0	111.1	T116 S117 S122 V124 R125 I128 L294 A356	T116-M119 WeakPolarHBondContact O-CB 3.44Å; T116-M119 PolarHBondContact O-N 2.99Å; S117-M119 PolarHBondContact O-N 3.3Å; S117-M119 VanDerWaalsContact O-N 3.09Å; M119-S122 PolarHBondContact O-N 3.43Å; M119-S122 PolarHBondContact O-OG 2.93Å; M119-V124 HydrophobicContact CB-CB 4.44Å; M119-V124 HydrophobicContact CB-CG1 4.28Å; M119-V124 HydrophobicContact SD-CB 4.48Å; M119-V124 HydrophobicContact SD-CG1 4.37Å; M119-V124 HydrophobicContact SD-CG2 4.37Å; M119-R125 PolarHBondContact O-N 2.71Å; M119-I128 HydrophobicContact CB-CD1 4.21Å; M119-L294 HydrophobicContact CG-CB 4.21Å; M119-L294 HydrophobicContact SD-CB 4.46Å; M119-A356 HydrophobicContact CE-CB 4.49Å; M119-A356 HydrophobicContact SD-CB 3.65Å
120	V	98.8	Very high	98.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-78.7	-30.3	176	-178.2	0	0	0	0	111.5	Y115 S117 N118 S122 R125 G146 E149 D150 K153 I233	Y115-V120 HydrophobicContact CD2-CG2 3.85Å; Y115-V120 HydrophobicContact CE2-CG2 3.43Å; Y115-V120 VanDerWaalsContact CE2-CG2 3.43Å; S117-V120 WeakPolarHBondContact O-CA 3.29Å; S117-V120 PolarHBondContact O-N 3.41Å; N118-V120 VanDerWaalsContact C-N 3.32Å; V120-S122 VanDerWaalsContact C-N 3.28Å; V120-S122 PolarHBondContact O-N 3.07Å; V120-R125 HydrophobicContact CG1-CB 4.46Å; V120-R125 HydrophobicContact CG1-CG 4.2Å; V120-G146 WeakPolarHBondContact CG2-O 3.49Å; V120-E149 HydrophobicContact CG1-CB 4.1Å; V120-D150 HydrophobicContact CG1-CB 3.89Å; V120-K153 WeakPolarHBondContact O-CE 3.37Å; V120-K153 PolarHBondContact O-NZ 3.13Å; V120-I233 HydrophobicContact CG1-CD1 4.46Å; V120-I233 HydrophobicContact CG2-CD1 4.06Å
121	S	98.7	Very high	98.8	Very high	5 Å²	5	24.2 Å²	24.2	4%	0.035	14%	0.135	C	C	.	.	H	α-helix	trans	-60.1	-40.9	168.1	-41.9	0	0	0	0	111.3	S117 N118 E149 K153 L182	S117-S121 PolarHBondContact O-N 3.41Å; S117-S121 VanDerWaalsContact O-N 3.12Å; S117-S121 PolarHBondContact O-OG 2.9Å; N118-S121 WeakPolarHBondContact CA-OG 3.34Å; N118-S121 PolarHBondContact O-N 3.41Å; S121-E149 WeakPolarHBondContact CA-OE2 3.45Å; S121-E149 WeakPolarHBondContact CB-OE2 3.21Å; S121-E149 PolarHBondContact OG-OE1 3.2Å; S121-E149 PolarHBondContact OG-OE2 2.83Å; S121-K153 VanDerWaalsContact C-NZ 3.31Å; S121-K153 WeakPolarHBondContact O-CE 3.41Å; S121-K153 PolarHBondContact O-NZ 2.84Å; S121-L182 VanDerWaalsContact O-CD1 3.25Å; S121-L182 WeakPolarHBondContact O-CD1 3.26Å
122	S	98.7	Very high	98.8	Very high	21 Å²	21	24 Å²	24	15%	0.147	13%	0.133	C	C	.	.	S	Bend	trans	-75.1	-179	177.6	84.3	0	0	0	0	113.3	N118 M119 V120 V124 K153	N118-S122 WeakPolarHBondContact O-CB 3.32Å; N118-S122 PolarHBondContact O-N 3Å; M119-S122 PolarHBondContact O-N 3.43Å; M119-S122 PolarHBondContact O-OG 2.93Å; V120-S122 VanDerWaalsContact C-N 3.28Å; V120-S122 PolarHBondContact O-N 3.07Å; S122-V124 PolarHBondContact O-N 2.74Å; S122-V124 WeakPolarHBondContact OG-CB 3.36Å; S122-V124 WeakPolarHBondContact OG-CG2 3.38Å; S122-V124 PolarHBondContact OG-N 2.68Å; S122-K153 PolarHBondContact O-NZ 3.09Å
123	G	98.6	Very high	98.8	Very high	45 Å²	45	26.4 Å²	26.4	46%	0.464	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-2.9	171.1	0	0	0	0	0	114.5	R125 E126	G123-R125 PolarHBondContact O-N 3.42Å; G123-E126 WeakPolarHBondContact CA-OE2 3.49Å; G123-E126 PolarHBondContact O-N 2.85Å
124	V	98.8	Very high	98.8	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-63.2	-22.8	170.8	175.7	0	0	0	0	111.1	M119 S122 E126 V127 I128 L294 F360	M119-V124 HydrophobicContact CB-CB 4.44Å; M119-V124 HydrophobicContact CB-CG1 4.28Å; M119-V124 HydrophobicContact SD-CB 4.48Å; M119-V124 HydrophobicContact SD-CG1 4.37Å; M119-V124 HydrophobicContact SD-CG2 4.37Å; S122-V124 PolarHBondContact O-N 2.74Å; S122-V124 WeakPolarHBondContact OG-CB 3.36Å; S122-V124 WeakPolarHBondContact OG-CG2 3.38Å; S122-V124 PolarHBondContact OG-N 2.68Å; V124-E126 PolarHBondContact O-N 2.96Å; V124-V127 WeakPolarHBondContact O-CB 3.37Å; V124-V127 PolarHBondContact O-N 3.35Å; V124-I128 HydrophobicContact CG1-CD1 3.94Å; V124-I128 HydrophobicContact CG1-CG1 4.15Å; V124-I128 PolarHBondContact O-N 2.68Å; V124-L294 HydrophobicContact CG1-CD1 4.39Å; V124-F360 HydrophobicContact CG1-CD1 3.7Å; V124-F360 HydrophobicContact CG1-CE1 4.27Å
125	R	98.9	Very high	98.7	Very high	10 Å²	10	33.8 Å²	33.8	4%	0.038	18%	0.181	C	C	.	.	H	α-helix	trans	-45.2	-48.1	170.5	178.1	-174.1	176.5	-122.5	9.8	112.4	M119 V120 G123 V127 I128 R129 D150 K153 C154 D231 I233	M119-R125 PolarHBondContact O-N 2.71Å; V120-R125 HydrophobicContact CG1-CB 4.46Å; V120-R125 HydrophobicContact CG1-CG 4.2Å; G123-R125 PolarHBondContact O-N 3.42Å; R125-V127 VanDerWaalsContact C-N 3.29Å; R125-V127 PolarHBondContact O-N 3.1Å; R125-I128 PolarHBondContact O-N 3.44Å; R125-R129 WeakPolarHBondContact O-CB 3.47Å; R125-R129 PolarHBondContact O-N 2.89Å; R125-D150 IonicContact CZ-OD1 2.69Å; R125-D150 VanDerWaalsContact CZ-OD1 3.31Å; R125-D150 IonicContact NE-OD1 2.74Å; R125-D150 PolarHBondContact NE-OD1 2.92Å; R125-D150 PolarHBondContact NH2-O 3.26Å; R125-D150 IonicContact NH2-OD1 3.33Å; R125-D150 PolarHBondContact NH2-OD1 3.36Å; R125-K153 VanDerWaalsContact CD-CD 3.43Å; R125-C154 PolarHBondContact NH2-SG 2.88Å; R125-D231 VanDerWaalsContact CZ-O 3.24Å; R125-D231 PolarHBondContact NH2-O 2.84Å; R125-I233 HydrophobicContact CG-CD1 3.85Å; R125-I233 HydrophobicContact CG-CG1 4.27Å
126	E	98.8	Very high	98.7	Very high	70 Å²	70	36.9 Å²	36.9	33%	0.327	20%	0.196	S	C	.	.	H	α-helix	trans	-66.8	-32.1	-176.1	-77.2	62.2	-139.4	0	0	112.2	G123 V124 F130	G123-E126 WeakPolarHBondContact CA-OE2 3.49Å; G123-E126 PolarHBondContact O-N 2.85Å; V124-E126 PolarHBondContact O-N 2.96Å; E126-F130 PolarHBondContact O-N 3.39Å
127	V	98.7	Very high	98.7	Very high	37 Å²	37	35.8 Å²	35.8	22%	0.224	19%	0.189	C	C	.	.	H	α-helix	trans	-69.5	-45.8	173	-175.9	0	0	0	0	110.6	V124 R125 R129 F130 L131 F360 Q361	V124-V127 WeakPolarHBondContact O-CB 3.37Å; V124-V127 PolarHBondContact O-N 3.35Å; R125-V127 VanDerWaalsContact C-N 3.29Å; R125-V127 PolarHBondContact O-N 3.1Å; V127-R129 VanDerWaalsContact C-N 3.29Å; V127-R129 PolarHBondContact O-N 3.36Å; V127-F130 WeakPolarHBondContact O-CB 3.11Å; V127-F130 PolarHBondContact O-N 3.05Å; V127-L131 WeakPolarHBondContact O-CG 3.27Å; V127-L131 PolarHBondContact O-N 2.83Å; V127-F360 HydrophobicContact CB-CD1 4.36Å; V127-F360 HydrophobicContact CB-CE1 4.29Å; V127-F360 HydrophobicContact CG1-CD1 3.88Å; V127-F360 HydrophobicContact CG1-CE1 3.67Å; V127-Q361 HydrophobicContact CG2-CG 4.17Å
128	I	98.9	Very high	98.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.7	-42.1	176.1	-65	163.8	0	0	0	110.4	L113 Y115 M119 V124 R125 F130 L131 A132 I233 F360	L113-I128 HydrophobicContact CD2-CG2 4.15Å; Y115-I128 HydrophobicContact CD1-CD1 3.64Å; Y115-I128 HydrophobicContact CD1-CG1 4.19Å; Y115-I128 HydrophobicContact CD1-CG2 4.18Å; Y115-I128 HydrophobicContact CD2-CD1 4Å; Y115-I128 HydrophobicContact CE1-CD1 3.92Å; Y115-I128 HydrophobicContact CE1-CG1 4.31Å; Y115-I128 HydrophobicContact CE1-CG2 3.47Å; Y115-I128 VanDerWaalsContact CE1-CG2 3.47Å; Y115-I128 HydrophobicContact CE2-CD1 4.26Å; Y115-I128 HydrophobicContact CG-CD1 3.69Å; M119-I128 HydrophobicContact CB-CD1 4.21Å; V124-I128 HydrophobicContact CG1-CD1 3.94Å; V124-I128 HydrophobicContact CG1-CG1 4.15Å; V124-I128 PolarHBondContact O-N 2.68Å; R125-I128 PolarHBondContact O-N 3.44Å; I128-F130 VanDerWaalsContact C-N 3.34Å; I128-F130 PolarHBondContact O-N 3.36Å; I128-L131 PolarHBondContact O-N 3.49Å; I128-A132 PolarHBondContact O-N 3.18Å; I128-I233 HydrophobicContact CB-CD1 3.99Å; I128-I233 HydrophobicContact CB-CG1 4.4Å; I128-I233 HydrophobicContact CG2-CD1 3.66Å; I128-I233 HydrophobicContact CG2-CG1 4.02Å; I128-I233 HydrophobicContact CG2-CG2 3.93Å; I128-F360 HydrophobicContact CG1-CE1 4.25Å
129	R	98.9	Very high	98.7	Very high	57 Å²	57	31 Å²	31	22%	0.215	16%	0.162	C	C	.	.	H	α-helix	trans	-60.6	-44	176	-178.2	-88.5	-57	167	4.2	111	R125 V127 L131 A132 E133 I233	R125-R129 WeakPolarHBondContact O-CB 3.47Å; R125-R129 PolarHBondContact O-N 2.89Å; V127-R129 VanDerWaalsContact C-N 3.29Å; V127-R129 PolarHBondContact O-N 3.36Å; R129-L131 VanDerWaalsContact C-N 3.35Å; R129-L131 PolarHBondContact O-N 3.14Å; R129-A132 PolarHBondContact O-N 3.37Å; R129-E133 WeakPolarHBondContact CD-OE2 3.37Å; R129-E133 IonicContact CZ-OE2 2.87Å; R129-E133 IonicContact NE-OE2 3.54Å; R129-E133 IonicContact NH1-OE2 3.97Å; R129-E133 PolarHBondContact NH1-OE2 3.27Å; R129-E133 WeakPolarHBondContact O-CB 3.49Å; R129-E133 PolarHBondContact O-N 3.01Å; R129-I233 HydrophobicContact CB-CG1 3.81Å
130	F	98.9	Very high	98.7	Very high	94 Å²	94	30.7 Å²	30.7	41%	0.412	16%	0.16	S	C	.	.	H	α-helix	trans	-57.2	-46.7	174.7	172.2	-90.4	0	0	0	111.8	E126 V127 I128 A132 E133 H134 M136	E126-F130 PolarHBondContact O-N 3.39Å; V127-F130 WeakPolarHBondContact O-CB 3.11Å; V127-F130 PolarHBondContact O-N 3.05Å; I128-F130 VanDerWaalsContact C-N 3.34Å; I128-F130 PolarHBondContact O-N 3.36Å; F130-A132 VanDerWaalsContact C-N 3.33Å; F130-A132 PolarHBondContact O-N 2.78Å; F130-E133 PolarHBondContact O-N 3.16Å; F130-H134 AromaticContact CD2-CD2 3.31Å; F130-H134 WeakPolarHBondContact CD2-CD2 3.48Å; F130-H134 AromaticContact CD2-NE2 3.62Å; F130-H134 AromaticContact CE2-CD2 3.21Å; F130-H134 WeakPolarHBondContact CE2-CD2 3.49Å; F130-H134 AromaticContact CE2-NE2 3.4Å; F130-H134 WeakPolarHBondContact CE2-NE2 3.23Å; F130-H134 AromaticContact CG-CD2 3.91Å; F130-H134 AromaticContact CZ-CD2 3.74Å; F130-H134 WeakPolarHBondContact O-CB 3.34Å; F130-H134 PolarHBondContact O-CD2 3Å; F130-H134 VanDerWaalsContact O-CD2 3.31Å; F130-H134 PolarHBondContact O-N 3.49Å; F130-M136 HydrophobicContact CD1-SD 4.27Å; F130-M136 HydrophobicContact CE1-SD 3.65Å; F130-M136 HydrophobicContact CZ-SD 4.39Å
131	L	98.8	Very high	98.7	Very high	24 Å²	24	30.7 Å²	30.7	13%	0.126	16%	0.16	C	C	.	.	H	α-helix	trans	-62.3	-39.7	178	-64	176.2	0	0	0	112.3	L113 V127 I128 R129 N135 M136 V137 F360	L113-L131 HydrophobicContact CD2-CD1 4.06Å; V127-L131 WeakPolarHBondContact O-CG 3.27Å; V127-L131 PolarHBondContact O-N 2.83Å; I128-L131 PolarHBondContact O-N 3.49Å; R129-L131 VanDerWaalsContact C-N 3.35Å; R129-L131 PolarHBondContact O-N 3.14Å; L131-N135 PolarHBondContact O-N 3.11Å; L131-M136 HydrophobicContact CB-CB 4.48Å; L131-M136 HydrophobicContact CD2-CB 4.08Å; L131-M136 HydrophobicContact CD2-CE 3.94Å; L131-M136 HydrophobicContact CD2-SD 3.79Å; L131-M136 PolarHBondContact O-N 3.21Å; L131-V137 HydrophobicContact CB-CG1 4.32Å; L131-F360 HydrophobicContact CD1-CE1 4.16Å; L131-F360 HydrophobicContact CD1-CZ 3.66Å
132	A	98.8	Very high	98.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-69.2	-45.4	176.2	0	0	0	0	0	112	I128 R129 F130 N135 I233 W236 N240 I242	I128-A132 PolarHBondContact O-N 3.18Å; R129-A132 PolarHBondContact O-N 3.37Å; F130-A132 VanDerWaalsContact C-N 3.33Å; F130-A132 PolarHBondContact O-N 2.78Å; A132-N135 PolarHBondContact O-N 3.31Å; A132-I233 HydrophobicContact CB-CG2 4.26Å; A132-W236 HydrophobicContact CB-CB 4.1Å; A132-N240 PolarHBondContact O-ND2 2.87Å; A132-I242 HydrophobicContact CB-CD1 4.41Å
133	E	98.8	Very high	98.7	Very high	51 Å²	51	30.7 Å²	30.7	24%	0.238	16%	0.16	C	C	.	.	H	α-helix	trans	-59.1	-47	179.1	175.6	170.3	-171.7	0	0	111.9	R129 F130 N135 W236 N240	R129-E133 WeakPolarHBondContact CD-OE2 3.37Å; R129-E133 IonicContact CZ-OE2 2.87Å; R129-E133 IonicContact NE-OE2 3.54Å; R129-E133 IonicContact NH1-OE2 3.97Å; R129-E133 PolarHBondContact NH1-OE2 3.27Å; R129-E133 WeakPolarHBondContact O-CB 3.49Å; R129-E133 PolarHBondContact O-N 3.01Å; F130-E133 PolarHBondContact O-N 3.16Å; E133-N135 PolarHBondContact O-N 2.63Å; E133-W236 HydrophobicContact CB-CB 4.32Å; E133-W236 HydrophobicContact CB-CD2 3.7Å; E133-W236 HydrophobicContact CB-CE3 4.28Å; E133-W236 HydrophobicContact CB-CG 3.69Å; E133-W236 VanDerWaalsContact CD-CZ2 3.49Å; E133-W236 HydrophobicContact CG-CD2 3.69Å; E133-W236 HydrophobicContact CG-CE3 4.01Å; E133-W236 HydrophobicContact CG-CG 4.24Å; E133-W236 HydrophobicContact CG-CH2 4Å; E133-W236 HydrophobicContact CG-CZ2 3.69Å; E133-W236 HydrophobicContact CG-CZ3 4.16Å; E133-W236 VanDerWaalsContact OE1-CZ2 3.3Å; E133-W236 WeakPolarHBondContact OE1-CZ2 3.46Å; E133-N240 PolarHBondContact O-ND2 2.86Å
134	H	98.7	Very high	98.7	Very high	104 Å²	104	28.6 Å²	28.6	48%	0.481	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	11.6	179.6	-68.2	-73.8	0	0	0	113.7	F130 M136	F130-H134 AromaticContact CD2-CD2 3.31Å; F130-H134 WeakPolarHBondContact CD2-CD2 3.48Å; F130-H134 AromaticContact CD2-NE2 3.62Å; F130-H134 AromaticContact CE2-CD2 3.21Å; F130-H134 WeakPolarHBondContact CE2-CD2 3.49Å; F130-H134 AromaticContact CE2-NE2 3.4Å; F130-H134 WeakPolarHBondContact CE2-NE2 3.23Å; F130-H134 AromaticContact CG-CD2 3.91Å; F130-H134 AromaticContact CZ-CD2 3.74Å; F130-H134 WeakPolarHBondContact O-CB 3.34Å; F130-H134 PolarHBondContact O-CD2 3Å; F130-H134 VanDerWaalsContact O-CD2 3.31Å; F130-H134 PolarHBondContact O-N 3.49Å; H134-M136 HydrophobicContact CB-CG 3.92Å; H134-M136 HydrophobicContact CB-SD 4Å; H134-M136 PolarHBondContact O-N 2.85Å
135	N	97.8	Very high	98.7	Very high	52 Å²	52	28.9 Å²	28.9	28%	0.278	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	37.8	173.3	-162.3	39.7	0	0	0	113.7	R80 R104 L131 A132 E133 N240	R80-N135 VanDerWaalsContact CZ-O 3.25Å; R80-N135 PolarHBondContact NH1-O 3.2Å; R80-N135 VanDerWaalsContact NH1-O 3.11Å; R80-N135 PolarHBondContact NH2-O 2.98Å; R104-N135 PolarHBondContact NH1-OD1 3.23Å; R104-N135 PolarHBondContact NH2-ND2 2.61Å; R104-N135 PolarHBondContact NH2-OD1 3.07Å; L131-N135 PolarHBondContact O-N 3.11Å; A132-N135 PolarHBondContact O-N 3.31Å; E133-N135 PolarHBondContact O-N 2.63Å; N135-N240 HydrophobicContact CB-CB 4.49Å
136	M	98.3	Very high	98.7	Very high	65 Å²	65	28.4 Å²	28.4	32%	0.32	14%	0.14	S	C	.	.			trans	-87.6	-16.2	-174.1	-63	178.3	67.5	0	0	112.9	F130 L131 H134	F130-M136 HydrophobicContact CD1-SD 4.27Å; F130-M136 HydrophobicContact CE1-SD 3.65Å; F130-M136 HydrophobicContact CZ-SD 4.39Å; L131-M136 HydrophobicContact CB-CB 4.48Å; L131-M136 HydrophobicContact CD2-CB 4.08Å; L131-M136 HydrophobicContact CD2-CE 3.94Å; L131-M136 HydrophobicContact CD2-SD 3.79Å; L131-M136 PolarHBondContact O-N 3.21Å; H134-M136 HydrophobicContact CB-CG 3.92Å; H134-M136 HydrophobicContact CB-SD 4Å; H134-M136 PolarHBondContact O-N 2.85Å
137	V	98.5	Very high	98.7	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.018	12%	0.124	C	C	.	.			trans	-120.3	159.6	175.4	-60	0	0	0	0	110.4	R104 I111 L113 L131 I140 I242	R104-V137 PolarHBondContact NH2-O 3.11Å; I111-V137 HydrophobicContact CG2-CB 4.46Å; I111-V137 HydrophobicContact CG2-CG1 4.05Å; L113-V137 HydrophobicContact CB-CB 4.24Å; L113-V137 HydrophobicContact CB-CG1 3.94Å; L113-V137 HydrophobicContact CB-CG2 4.5Å; L113-V137 HydrophobicContact CD2-CG1 4.18Å; L113-V137 HydrophobicContact CD2-CG2 4.47Å; L131-V137 HydrophobicContact CB-CG1 4.32Å; V137-I140 HydrophobicContact CG2-CD1 4.43Å; V137-I140 HydrophobicContact CG2-CG1 4.25Å; V137-I242 HydrophobicContact CG2-CD1 4.34Å
138	D	98.6	Very high	98.7	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.027	12%	0.116	C	C	.	.	S	Bend	trans	-115.1	-27.1	-173	-61	-58.1	0	0	0	112.9	R80 R104 S107 T110 I111 P243	R80-D138 IonicContact CZ-OD1 3.88Å; R80-D138 IonicContact CZ-OD2 3.23Å; R80-D138 IonicContact NE-OD1 3.02Å; R80-D138 PolarHBondContact NE-OD1 2.85Å; R80-D138 IonicContact NE-OD2 2.8Å; R80-D138 PolarHBondContact NE-OD2 3.45Å; R80-D138 IonicContact NH2-OD1 3.82Å; R80-D138 PolarHBondContact NH2-OD1 3.19Å; R80-D138 IonicContact NH2-OD2 3.57Å; R104-D138 IonicContact CZ-OD1 3.31Å; R104-D138 IonicContact NE-OD1 3.04Å; R104-D138 PolarHBondContact NE-OD1 3.22Å; R104-D138 IonicContact NH2-OD1 2.76Å; R104-D138 PolarHBondContact NH2-OD1 2.95Å; S107-D138 PolarHBondContact OG-OD2 3.06Å; T110-D138 WeakPolarHBondContact CA-OD2 3.17Å; T110-D138 HydrophobicContact CG2-CB 3.78Å; I111-D138 PolarHBondContact N-OD2 3.45Å; I111-D138 PolarHBondContact O-N 3.03Å; D138-P243 WeakPolarHBondContact O-CD 3.44Å
139	V	98.8	Very high	98.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	137.6	177.8	-175.5	0	0	0	0	109.5	T110 I111 F112 L113 P243 F245 L282	T110-V139 HydrophobicContact CG2-CG2 4.12Å; I111-V139 PolarHBondContact O-N 2.91Å; I111-V139 VanDerWaalsContact O-N 3.09Å; F112-V139 WeakPolarHBondContact CA-O 3.39Å; F112-V139 HydrophobicContact CD1-CB 3.63Å; F112-V139 HydrophobicContact CD1-CG1 3.67Å; F112-V139 HydrophobicContact CD1-CG2 4.09Å; F112-V139 HydrophobicContact CE1-CB 3.86Å; F112-V139 HydrophobicContact CE1-CG1 3.78Å; F112-V139 HydrophobicContact CE1-CG2 3.83Å; F112-V139 HydrophobicContact CG-CB 4.11Å; F112-V139 HydrophobicContact CZ-CG2 4.06Å; L113-V139 PolarHBondContact N-O 3.34Å; V139-P243 HydrophobicContact CG2-CG 4.42Å; V139-F245 HydrophobicContact CG1-CD2 3.66Å; V139-F245 HydrophobicContact CG1-CE2 3.66Å; V139-L282 HydrophobicContact CG1-CD1 4.47Å; V139-L282 HydrophobicContact CG2-CD1 3.86Å
140	I	98.9	Very high	98.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	140.1	171.7	-66.5	-177	0	0	0	110.7	L113 Y115 V137 I233 C237 I242 P243 V244 F245	L113-I140 CarbonylContact O-C 3.57Å; L113-I140 VanDerWaalsContact O-CA 3.26Å; L113-I140 WeakPolarHBondContact O-CA 3.45Å; Y115-I140 HydrophobicContact CE1-CD1 4.44Å; Y115-I140 HydrophobicContact CE1-CG2 3.56Å; Y115-I140 WeakPolarHBondContact OH-CG2 3.43Å; V137-I140 HydrophobicContact CG2-CD1 4.43Å; V137-I140 HydrophobicContact CG2-CG1 4.25Å; I140-I233 HydrophobicContact CD1-CG2 4.19Å; I140-C237 VanDerWaalsContact CD1-SG 3.57Å; I140-I242 HydrophobicContact CD1-CG2 4.39Å; I140-I242 HydrophobicContact CG1-CG2 4.06Å; I140-P243 PolarHBondContact N-O 3.33Å; I140-V244 HydrophobicContact CB-CG1 4.31Å; I140-V244 HydrophobicContact CB-CG2 4.24Å; I140-V244 HydrophobicContact CG2-CG1 3.96Å; I140-V244 CarbonylContact O-C 3.59Å; I140-V244 WeakPolarHBondContact O-CA 3.39Å; I140-F245 PolarHBondContact O-N 3.37Å
141	V	98.9	Very high	98.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	124.1	170.2	-170.9	0	0	0	0	109.8	L113 A114 Y115 F245 I279 I299 H302 T303	L113-V141 PolarHBondContact O-N 2.95Å; A114-V141 WeakPolarHBondContact CA-O 3.3Å; A114-V141 HydrophobicContact CB-CB 4.13Å; Y115-V141 PolarHBondContact N-O 3.06Å; Y115-V141 VanDerWaalsContact N-O 3.13Å; V141-F245 WeakPolarHBondContact CA-O 3.49Å; V141-F245 HydrophobicContact CG2-CB 4.37Å; V141-I279 HydrophobicContact CG2-CD1 3.76Å; V141-I299 HydrophobicContact CG1-CB 4.3Å; V141-I299 HydrophobicContact CG1-CG2 4.5Å; V141-H302 HydrophobicContact CG1-CB 4.34Å; V141-T303 WeakPolarHBondContact CB-OG1 3.44Å; V141-T303 WeakPolarHBondContact CG2-OG1 3.34Å
142	T	98.9	Very high	98.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.084	C	C	.	.			trans	-143.1	171.2	179.7	-176.7	0	0	0	0	111.3	Y115 G146 V147 V244 F245 C246 I299	Y115-T142 HydrophobicContact CE2-CG2 4.23Å; Y115-T142 WeakPolarHBondContact CE2-OG1 3.25Å; Y115-T142 PolarHBondContact O-OG1 3.4Å; T142-G146 WeakPolarHBondContact OG1-CA 3.43Å; T142-V147 HydrophobicContact CG2-CG2 3.61Å; T142-V244 HydrophobicContact CG2-CG1 4.1Å; T142-F245 PolarHBondContact N-O 3.39Å; T142-C246 WeakPolarHBondContact O-CA 3.22Å; T142-C246 PolarHBondContact O-SG 3.05Å; T142-I299 VanDerWaalsContact CA-CG2 3.44Å
143	S	98.6	Very high	98.7	Very high	27 Å²	27	18.1 Å²	18.1	19%	0.189	9%	0.092	C	C	.	.			trans	-90.5	169.4	167.2	42	0	0	0	0	111.7	S117 G145 G146 V147	S117-S143 PolarHBondContact N-OG 2.91Å; S117-S143 PolarHBondContact OG-OG 2.86Å; S143-G145 PolarHBondContact O-N 3.36Å; S143-G146 WeakPolarHBondContact O-CA 3.32Å; S143-G146 PolarHBondContact O-N 3.01Å; S143-V147 PolarHBondContact O-N 3.15Å
144	A	98.6	Very high	98.7	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.008	9%	0.089	C	C	.	.	H	α-helix	trans	-56.3	-46	-176.2	0	0	0	0	0	113.1	G146 V147 E148 C246 G248 L249 D251	A144-G146 PolarHBondContact O-N 3.17Å; A144-V147 CarbonylContact O-C 3.13Å; A144-V147 WeakPolarHBondContact O-CA 3.49Å; A144-V147 WeakPolarHBondContact O-CB 3.39Å; A144-V147 PolarHBondContact O-N 2.93Å; A144-E148 WeakPolarHBondContact O-CG 3.26Å; A144-E148 PolarHBondContact O-N 2.91Å; A144-C246 PolarHBondContact N-SG 2.84Å; A144-G248 WeakPolarHBondContact CB-O 3.14Å; A144-L249 WeakPolarHBondContact CB-O 3.47Å; A144-D251 WeakPolarHBondContact CB-O 3.33Å
145	G	98.5	Very high	98.7	Very high	7 Å²	7	14.6 Å²	14.6	7%	0.072	8%	0.08	C	C	.	.	H	α-helix	trans	-53.9	-38.6	173.1	0	0	0	0	0	113.1	S117 S143 V147 E149	S117-G145 VanDerWaalsContact OG-CA 3.24Å; S117-G145 WeakPolarHBondContact OG-CA 3.34Å; S117-G145 PolarHBondContact OG-N 2.66Å; S143-G145 PolarHBondContact O-N 3.36Å; G145-V147 VanDerWaalsContact C-N 3.26Å; G145-V147 PolarHBondContact O-N 3.05Å; G145-E149 WeakPolarHBondContact O-CB 3.04Å; G145-E149 WeakPolarHBondContact O-CG 3.31Å; G145-E149 PolarHBondContact O-N 2.92Å
146	G	98.7	Very high	98.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-69.9	-23.7	175.7	0	0	0	0	0	113.4	S117 V120 T142 S143 A144 Y234	S117-G146 VanDerWaalsContact CB-N 3.35Å; S117-G146 PolarHBondContact OG-N 2.79Å; S117-G146 VanDerWaalsContact OG-N 3.11Å; V120-G146 WeakPolarHBondContact CG2-O 3.49Å; T142-G146 WeakPolarHBondContact OG1-CA 3.43Å; S143-G146 WeakPolarHBondContact O-CA 3.32Å; S143-G146 PolarHBondContact O-N 3.01Å; A144-G146 PolarHBondContact O-N 3.17Å; G146-Y234 VanDerWaalsContact C-OH 3.28Å; G146-Y234 WeakPolarHBondContact O-CE2 3.2Å; G146-Y234 PolarHBondContact O-OH 2.89Å
147	V	98.9	Very high	98.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-77.8	-59.2	172.1	177.4	0	0	0	0	110.9	T142 S143 A144 G145 E149 D150 F151 I220 Y234 C246 L254	T142-V147 HydrophobicContact CG2-CG2 3.61Å; S143-V147 PolarHBondContact O-N 3.15Å; A144-V147 CarbonylContact O-C 3.13Å; A144-V147 WeakPolarHBondContact O-CA 3.49Å; A144-V147 WeakPolarHBondContact O-CB 3.39Å; A144-V147 PolarHBondContact O-N 2.93Å; G145-V147 VanDerWaalsContact C-N 3.26Å; G145-V147 PolarHBondContact O-N 3.05Å; V147-E149 PolarHBondContact O-N 3.11Å; V147-D150 PolarHBondContact O-N 3.03Å; V147-F151 HydrophobicContact CG1-CD2 4.21Å; V147-F151 HydrophobicContact CG1-CE2 3.66Å; V147-F151 WeakPolarHBondContact O-CD2 3.5Å; V147-I220 HydrophobicContact CG1-CD1 4.31Å; V147-I220 HydrophobicContact CG1-CG1 3.83Å; V147-I220 HydrophobicContact CG1-CG2 4.45Å; V147-I220 HydrophobicContact CG2-CD1 3.7Å; V147-I220 HydrophobicContact CG2-CG1 4.16Å; V147-Y234 VanDerWaalsContact CA-CE2 3.47Å; V147-Y234 HydrophobicContact CB-CE2 4.35Å; V147-Y234 HydrophobicContact CG1-CE2 4.35Å; V147-Y234 VanDerWaalsContact O-CE2 3.28Å; V147-Y234 WeakPolarHBondContact O-CE2 3.5Å; V147-C246 HydrophobicContact CG2-CB 4.11Å; V147-L254 HydrophobicContact CG1-CD1 4.19Å
148	E	98.6	Very high	98.7	Very high	10 Å²	10	14.2 Å²	14.2	5%	0.047	9%	0.086	C	C	.	.	H	α-helix	trans	-67.4	-37.7	-171	67.6	-161.5	-146.1	0	0	112.7	A144 D150 F151 I152 F192 S253 L254	A144-E148 WeakPolarHBondContact O-CG 3.26Å; A144-E148 PolarHBondContact O-N 2.91Å; E148-D150 VanDerWaalsContact C-N 3.26Å; E148-D150 PolarHBondContact O-N 3.08Å; E148-F151 PolarHBondContact O-N 3.47Å; E148-F151 VanDerWaalsContact O-N 3.15Å; E148-I152 HydrophobicContact CB-CD1 4.22Å; E148-I152 HydrophobicContact CG-CD1 4.21Å; E148-I152 WeakPolarHBondContact O-CB 3.43Å; E148-I152 WeakPolarHBondContact O-CG1 3.24Å; E148-I152 PolarHBondContact O-N 2.92Å; E148-F192 HydrophobicContact CB-CE1 4.12Å; E148-F192 HydrophobicContact CB-CZ 3.87Å; E148-S253 VanDerWaalsContact OE1-CB 3.31Å; E148-S253 WeakPolarHBondContact OE1-CB 3.49Å; E148-S253 PolarHBondContact OE1-N 3.27Å; E148-S253 PolarHBondContact OE2-N 3.48Å; E148-L254 HydrophobicContact CB-CB 4.29Å; E148-L254 PolarHBondContact OE2-N 2.98Å
149	E	98.8	Very high	98.7	Very high	15 Å²	15	20 Å²	20	7%	0.07	11%	0.108	C	C	.	.	H	α-helix	trans	-67.9	-26.3	-176.9	-69.2	-173.7	-127.7	0	0	112.9	V120 S121 G145 V147 K153 I179	V120-E149 HydrophobicContact CG1-CB 4.1Å; S121-E149 WeakPolarHBondContact CA-OE2 3.45Å; S121-E149 WeakPolarHBondContact CB-OE2 3.21Å; S121-E149 PolarHBondContact OG-OE1 3.2Å; S121-E149 PolarHBondContact OG-OE2 2.83Å; G145-E149 WeakPolarHBondContact O-CB 3.04Å; G145-E149 WeakPolarHBondContact O-CG 3.31Å; G145-E149 PolarHBondContact O-N 2.92Å; V147-E149 PolarHBondContact O-N 3.11Å; E149-K153 VanDerWaalsContact O-CB 3.29Å; E149-K153 WeakPolarHBondContact O-CB 3.38Å; E149-K153 VanDerWaalsContact O-CG 3.26Å; E149-K153 WeakPolarHBondContact O-CG 3.46Å; E149-K153 PolarHBondContact O-N 3Å; E149-I179 WeakPolarHBondContact OE2-CD1 3.48Å
150	D	98.9	Very high	98.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.8	-43.8	172.6	-177.9	57.3	0	0	0	111.8	V120 R125 V147 E148 C154 S232 I233 Y234	V120-D150 HydrophobicContact CG1-CB 3.89Å; R125-D150 IonicContact CZ-OD1 2.69Å; R125-D150 VanDerWaalsContact CZ-OD1 3.31Å; R125-D150 IonicContact NE-OD1 2.74Å; R125-D150 PolarHBondContact NE-OD1 2.92Å; R125-D150 PolarHBondContact NH2-O 3.26Å; R125-D150 IonicContact NH2-OD1 3.33Å; R125-D150 PolarHBondContact NH2-OD1 3.36Å; V147-D150 PolarHBondContact O-N 3.03Å; E148-D150 VanDerWaalsContact C-N 3.26Å; E148-D150 PolarHBondContact O-N 3.08Å; D150-C154 PolarHBondContact O-SG 3.14Å; D150-S232 WeakPolarHBondContact OD1-CA 3.28Å; D150-S232 WeakPolarHBondContact OD2-CA 3.46Å; D150-S232 WeakPolarHBondContact OD2-CB 3.43Å; D150-S232 PolarHBondContact OD2-OG 3.46Å; D150-I233 VanDerWaalsContact CG-N 3.33Å; D150-I233 PolarHBondContact OD1-N 3.38Å; D150-I233 PolarHBondContact OD2-N 3.25Å; D150-Y234 HydrophobicContact CB-CD2 3.7Å; D150-Y234 HydrophobicContact CB-CE2 3.41Å; D150-Y234 VanDerWaalsContact CB-CE2 3.41Å; D150-Y234 WeakPolarHBondContact OD2-CD2 3.3Å; D150-Y234 PolarHBondContact OD2-N 2.95Å
151	F	98.8	Very high	98.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-68.2	-46.3	176.5	-63.2	-53.8	0	0	0	110.7	V147 E148 K153 C154 L155 F192 W195 L223 I227 Y234	V147-F151 HydrophobicContact CG1-CD2 4.21Å; V147-F151 HydrophobicContact CG1-CE2 3.66Å; V147-F151 WeakPolarHBondContact O-CD2 3.5Å; E148-F151 PolarHBondContact O-N 3.47Å; E148-F151 VanDerWaalsContact O-N 3.15Å; F151-K153 VanDerWaalsContact C-N 3.27Å; F151-K153 PolarHBondContact O-N 3Å; F151-C154 WeakPolarHBondContact O-CB 3.38Å; F151-C154 PolarHBondContact O-N 2.99Å; F151-L155 PolarHBondContact O-N 2.87Å; F151-F192 HydrophobicContact CB-CD2 4.44Å; F151-F192 HydrophobicContact CB-CE2 3.95Å; F151-W195 HydrophobicContact CB-CH2 4.33Å; F151-W195 HydrophobicContact CB-CZ3 4.1Å; F151-W195 AromaticContact CD1-CH2 4Å; F151-W195 HydrophobicContact CD1-CH2 4Å; F151-W195 HydrophobicContact CD2-CH2 4.48Å; F151-W195 HydrophobicContact CD2-CZ3 4.46Å; F151-W195 HydrophobicContact CE1-CH2 4.45Å; F151-W195 HydrophobicContact CG-CH2 4.03Å; F151-W195 HydrophobicContact CG-CZ3 4.15Å; F151-L223 HydrophobicContact CD2-CB 4.46Å; F151-L223 HydrophobicContact CD2-CD1 4.43Å; F151-L223 HydrophobicContact CE1-CB 3.96Å; F151-L223 HydrophobicContact CE2-CB 3.61Å; F151-L223 HydrophobicContact CE2-CD1 3.86Å; F151-L223 HydrophobicContact CE2-CG 4.4Å; F151-L223 HydrophobicContact CZ-CB 3.32Å; F151-L223 HydrophobicContact CZ-CD1 4.45Å; F151-I227 HydrophobicContact CB-CD1 4.49Å; F151-I227 HydrophobicContact CD1-CB 3.79Å; F151-I227 HydrophobicContact CD1-CD1 4.34Å; F151-I227 HydrophobicContact CD1-CG1 3.95Å; F151-I227 HydrophobicContact CD1-CG2 3.92Å; F151-I227 HydrophobicContact CE1-CB 4.1Å; F151-I227 HydrophobicContact CE1-CG2 3.86Å; F151-Y234 HydrophobicContact CD2-CD2 4.45Å; F151-Y234 HydrophobicContact CE1-CD2 4Å; F151-Y234 HydrophobicContact CE1-CG 4.35Å; F151-Y234 AromaticContact CE2-CD2 3.87Å; F151-Y234 HydrophobicContact CE2-CD2 3.87Å; F151-Y234 AromaticContact CZ-CD2 3.6Å; F151-Y234 HydrophobicContact CZ-CD2 3.6Å; F151-Y234 AromaticContact CZ-CG 3.92Å; F151-Y234 HydrophobicContact CZ-CG 3.92Å
152	I	98.8	Very high	98.6	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.015	17%	0.17	C	C	.	.	H	α-helix	trans	-56.2	-43.3	177.6	-70.9	164.6	0	0	0	110.8	E148 C154 L155 A156 N188 Y189 F192	E148-I152 HydrophobicContact CB-CD1 4.22Å; E148-I152 HydrophobicContact CG-CD1 4.21Å; E148-I152 WeakPolarHBondContact O-CB 3.43Å; E148-I152 WeakPolarHBondContact O-CG1 3.24Å; E148-I152 PolarHBondContact O-N 2.92Å; I152-C154 PolarHBondContact O-N 3.46Å; I152-L155 WeakPolarHBondContact O-CA 3.12Å; I152-L155 WeakPolarHBondContact O-CB 3.4Å; I152-L155 PolarHBondContact O-N 2.85Å; I152-A156 PolarHBondContact O-N 2.86Å; I152-A156 VanDerWaalsContact O-O 3.07Å; I152-N188 HydrophobicContact CG2-CB 3.7Å; I152-Y189 HydrophobicContact CD1-CD1 3.71Å; I152-Y189 HydrophobicContact CD1-CE1 3.59Å; I152-F192 HydrophobicContact CD1-CB 4.41Å; I152-F192 HydrophobicContact CD1-CD1 4.31Å; I152-F192 HydrophobicContact CD1-CG 4.17Å; I152-F192 HydrophobicContact CG1-CB 3.8Å; I152-F192 HydrophobicContact CG1-CD1 4.31Å; I152-F192 HydrophobicContact CG1-CD2 3.73Å; I152-F192 HydrophobicContact CG1-CE2 4.38Å; I152-F192 HydrophobicContact CG1-CG 3.69Å
153	K	98.8	Very high	98.6	Very high	38 Å²	38	35.5 Å²	35.5	17%	0.165	19%	0.194	C	C	.	.	H	α-helix	trans	-64.2	-18.7	178.2	-82	177.6	169.8	-169	0	114.4	V120 S121 S122 R125 E149 F151 A156	V120-K153 WeakPolarHBondContact O-CE 3.37Å; V120-K153 PolarHBondContact O-NZ 3.13Å; S121-K153 VanDerWaalsContact C-NZ 3.31Å; S121-K153 WeakPolarHBondContact O-CE 3.41Å; S121-K153 PolarHBondContact O-NZ 2.84Å; S122-K153 PolarHBondContact O-NZ 3.09Å; R125-K153 VanDerWaalsContact CD-CD 3.43Å; E149-K153 VanDerWaalsContact O-CB 3.29Å; E149-K153 WeakPolarHBondContact O-CB 3.38Å; E149-K153 VanDerWaalsContact O-CG 3.26Å; E149-K153 WeakPolarHBondContact O-CG 3.46Å; E149-K153 PolarHBondContact O-N 3Å; F151-K153 VanDerWaalsContact C-N 3.27Å; F151-K153 PolarHBondContact O-N 3Å; K153-A156 WeakPolarHBondContact CA-O 3.5Å
154	C	98.7	Very high	98.5	Very high	25 Å²	25	42.2 Å²	42.2	17%	0.169	22%	0.223	C	C	.	.	H	α-helix	trans	-81	-18.1	170.6	-58.9	0	0	0	0	112.7	R125 D150 F151 I152 I227 H229	R125-C154 PolarHBondContact NH2-SG 2.88Å; D150-C154 PolarHBondContact O-SG 3.14Å; F151-C154 WeakPolarHBondContact O-CB 3.38Å; F151-C154 PolarHBondContact O-N 2.99Å; I152-C154 PolarHBondContact O-N 3.46Å; C154-I227 HydrophobicContact CB-CD1 3.95Å; C154-I227 HydrophobicContact CB-CG1 3.86Å; C154-H229 HydrophobicContact CB-CB 4.11Å
155	L	98.5	Very high	98.4	Very high	56 Å²	56	51.1 Å²	51.1	29%	0.293	26%	0.256	S	S	.	.	H	α-helix	trans	-95.7	-43.7	178.4	-53.4	177.5	0	0	0	111.4	F151 I152 Q191 F192 W195 I227	F151-L155 PolarHBondContact O-N 2.87Å; I152-L155 WeakPolarHBondContact O-CA 3.12Å; I152-L155 WeakPolarHBondContact O-CB 3.4Å; I152-L155 PolarHBondContact O-N 2.85Å; L155-Q191 HydrophobicContact CB-CB 4.45Å; L155-Q191 HydrophobicContact CD1-CB 4.42Å; L155-F192 HydrophobicContact CD1-CB 4.34Å; L155-F192 HydrophobicContact CD1-CD2 4.42Å; L155-W195 HydrophobicContact CD1-CB 4.01Å; L155-W195 HydrophobicContact CD1-CG 4.34Å; L155-W195 HydrophobicContact CD2-CG 4.45Å; L155-I227 HydrophobicContact CD2-CD1 4.23Å
156	A	98.3	Very high	98.3	Very high	10 Å²	10	54.8 Å²	54.8	8%	0.083	27%	0.268	C	S	.	.	S	Bend	trans	-153.9	146.5	-177.9	0	0	0	0	0	111.9	I152 K153 N188	I152-A156 PolarHBondContact O-N 2.86Å; I152-A156 VanDerWaalsContact O-O 3.07Å; K153-A156 WeakPolarHBondContact CA-O 3.5Å; A156-N188 HydrophobicContact CB-CB 4.23Å; A156-N188 VanDerWaalsContact CB-CG 3.48Å; A156-N188 WeakPolarHBondContact CB-OD1 3.43Å; A156-N188 PolarHBondContact O-ND2 3.34Å
157	P	98.5	Very high	98.3	Very high	70 Å²	70	63 Å²	63	46%	0.455	30%	0.299	S	S	.	.			trans	-75.2	159.1	-176.4	32.3	-37.5	0	0	0	113	Y159 N188	P157-Y159 HydrophobicContact CG-CE1 4.4Å; P157-Y159 HydrophobicContact CG-CE2 4.06Å; P157-Y159 WeakPolarHBondContact CG-OH 3.34Å; P157-N188 PolarHBondContact O-ND2 3.01Å
158	S	98.5	Very high	98.2	Very high	31 Å²	31	65.4 Å²	65.4	22%	0.217	32%	0.324	C	S	.	.			trans	-98.6	157.8	160.9	-48.1	0	0	0	0	109.5
159	Y	98.7	Very high	98.2	Very high	126 Å²	126	69.2 Å²	69.2	49%	0.494	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	149.1	-174.3	-60.4	-90.5	0	0	0	111.8	P157 G161 L182 L183 P185	P157-Y159 HydrophobicContact CG-CE1 4.4Å; P157-Y159 HydrophobicContact CG-CE2 4.06Å; P157-Y159 WeakPolarHBondContact CG-OH 3.34Å; Y159-G161 PolarHBondContact O-N 3.34Å; Y159-L182 CarbonylContact O-C 3.56Å; Y159-L182 WeakPolarHBondContact O-CA 3.33Å; Y159-L183 PolarHBondContact N-O 3.3Å; Y159-L183 PolarHBondContact O-N 3.15Å; Y159-P185 HydrophobicContact CD2-CG 4.09Å; Y159-P185 HydrophobicContact CE2-CG 3.82Å
160	V	98.6	Very high	98.2	Very high	122 Å²	122	72.5 Å²	72.5	74%	0.739	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	123.1	168.1	-179.7	0	0	0	0	108.4	L182	V160-L182 HydrophobicContact CG2-CD2 4.44Å
161	G	97.7	Very high	98.2	Very high	17 Å²	17	72.9 Å²	72.9	18%	0.175	36%	0.358	C	S	.	.			trans	-118.9	-133	170.8	0	0	0	0	0	110.7	Y159 N181	Y159-G161 PolarHBondContact O-N 3.34Å; G161-N181 CarbonylContact C-O 3.55Å; G161-N181 VanDerWaalsContact CA-O 3.27Å; G161-N181 WeakPolarHBondContact CA-O 3.35Å; G161-N181 PolarHBondContact N-O 2.59Å
162	D	98.3	Very high	98.1	Very high	69 Å²	69	81.1 Å²	81.1	37%	0.369	39%	0.39	S	S	.	.			trans	-150	154.4	-173.9	-172.4	-87.3	0	0	0	110	E164 R165 W166	D162-E164 PolarHBondContact OD1-N 2.85Å; D162-R165 HydrophobicContact CB-CB 3.64Å; D162-R165 WeakPolarHBondContact OD1-CB 3.35Å; D162-R165 PolarHBondContact OD1-N 2.86Å; D162-W166 HydrophobicContact CB-CE3 4.42Å; D162-W166 HydrophobicContact CB-CZ3 4.03Å
163	F	98.1	Very high	98.1	Very high	118 Å²	118	88.4 Å²	88.4	52%	0.518	42%	0.424	S	S	.	.	S	Bend	trans	-70.8	-28.9	180	-79.2	-83.5	0	0	0	113.5	R178 N181	F163-R178 PolarHBondContact O-NH1 3.26Å; F163-R178 PolarHBondContact O-NH2 3.36Å; F163-N181 HydrophobicContact CD2-CB 3.6Å; F163-N181 HydrophobicContact CE2-CB 3.56Å; F163-N181 HydrophobicContact CG-CB 4.19Å; F163-N181 HydrophobicContact CZ-CB 4.15Å
164	E	96.9	Very high	98.1	Very high	169 Å²	169	92.5 Å²	92.5	79%	0.79	45%	0.446	S	S	*	.	S	Bend	trans	-138.2	-18.4	-165.8	-61.9	-174.1	170.4	0	0	113.9	D162 W166	D162-E164 PolarHBondContact OD1-N 2.85Å; E164-W166 PolarHBondContact O-N 3.45Å; E164-W166 VanDerWaalsContact O-N 3.13Å
165	R	97.1	Very high	98.1	Very high	187 Å²	187	92.6 Å²	92.6	71%	0.706	45%	0.451	S	S	*	.	S	Bend	trans	-53.1	-37.3	-176.3	-176	176	178.6	173.2	0.8	114.1	D162	D162-R165 HydrophobicContact CB-CB 3.64Å; D162-R165 WeakPolarHBondContact OD1-CB 3.35Å; D162-R165 PolarHBondContact OD1-N 2.86Å
166	W	96.8	Very high	98.1	Very high	85 Å²	85	91.2 Å²	91.2	32%	0.322	45%	0.445	S	S	.	.	S	Bend	trans	-117.5	131.8	177.8	-57	-80.7	0	0	0	110.3	D162 E164 L171 L183	D162-W166 HydrophobicContact CB-CE3 4.42Å; D162-W166 HydrophobicContact CB-CZ3 4.03Å; E164-W166 PolarHBondContact O-N 3.45Å; E164-W166 VanDerWaalsContact O-N 3.13Å; W166-L171 HydrophobicContact CB-CD1 4.15Å; W166-L171 HydrophobicContact CB-CD2 3.74Å; W166-L171 HydrophobicContact CB-CG 3.79Å; W166-L171 HydrophobicContact CD2-CD2 4.47Å; W166-L171 HydrophobicContact CG-CD2 4.06Å; W166-L183 HydrophobicContact CE3-CD1 4.31Å; W166-L183 HydrophobicContact CH2-CD1 4.4Å; W166-L183 HydrophobicContact CZ3-CD1 3.95Å
167	R	97.5	Very high	98.1	Very high	173 Å²	173	92.9 Å²	92.9	65%	0.653	45%	0.452	S	S	*	.			trans	-73.1	151.7	176.2	-56.8	-135.7	-63.5	162.3	0.5	109.8	H169 E170 L171	R167-H169 VanDerWaalsContact C-N 3.27Å; R167-H169 PolarHBondContact O-N 3.25Å; R167-E170 HydrophobicContact CB-CG 4.36Å; R167-E170 WeakPolarHBondContact CB-OE2 3.09Å; R167-E170 PolarHBondContact N-OE2 3Å; R167-E170 PolarHBondContact O-N 2.96Å; R167-E170 VanDerWaalsContact O-N 3.09Å; R167-L171 PolarHBondContact O-N 3.48Å
168	G	98.1	Very high	98.1	Very high	50 Å²	50	94.4 Å²	94.4	52%	0.515	45%	0.449	S	S	.	.	H	α-helix	trans	-56.1	-37.5	-177.3	0	0	0	0	0	114.1	R172	G168-R172 WeakPolarHBondContact O-CB 3.26Å; G168-R172 PolarHBondContact O-N 3.04Å
169	H	97.8	Very high	98.1	Very high	90 Å²	90	94.9 Å²	94.9	42%	0.417	45%	0.449	S	S	.	.	H	α-helix	trans	-66.8	-38.2	178.2	79.1	-68.7	0	0	0	113.1	R167 R172 E173	R167-H169 VanDerWaalsContact C-N 3.27Å; R167-H169 PolarHBondContact O-N 3.25Å; H169-R172 PolarHBondContact O-N 3.39Å; H169-E173 WeakPolarHBondContact O-CG 3.14Å; H169-E173 PolarHBondContact O-N 3.22Å
170	E	98.3	Very high	98.1	Very high	83 Å²	83	90.4 Å²	90.4	39%	0.388	44%	0.441	S	S	.	.	H	α-helix	trans	-65.4	-44.6	179.1	-60.1	169.5	130.8	0	0	110.3	R167 R172 E173 I174	R167-E170 HydrophobicContact CB-CG 4.36Å; R167-E170 WeakPolarHBondContact CB-OE2 3.09Å; R167-E170 PolarHBondContact N-OE2 3Å; R167-E170 PolarHBondContact O-N 2.96Å; R167-E170 VanDerWaalsContact O-N 3.09Å; E170-R172 VanDerWaalsContact C-N 3.32Å; E170-R172 PolarHBondContact O-N 2.83Å; E170-E173 PolarHBondContact O-N 3Å; E170-I174 PolarHBondContact O-N 3.2Å
171	L	98.6	Very high	98.1	Very high	8 Å²	8	87.7 Å²	87.7	4%	0.042	42%	0.422	C	S	.	.	H	α-helix	trans	-62.9	-40.2	175	-65.4	179.4	0	0	0	111.4	W166 R167 I174 G175 V176 R178 L183	W166-L171 HydrophobicContact CB-CD1 4.15Å; W166-L171 HydrophobicContact CB-CD2 3.74Å; W166-L171 HydrophobicContact CB-CG 3.79Å; W166-L171 HydrophobicContact CD2-CD2 4.47Å; W166-L171 HydrophobicContact CG-CD2 4.06Å; R167-L171 PolarHBondContact O-N 3.48Å; L171-I174 WeakPolarHBondContact O-CG1 3.42Å; L171-I174 PolarHBondContact O-N 2.96Å; L171-G175 PolarHBondContact O-N 3.16Å; L171-G175 VanDerWaalsContact O-N 3.16Å; L171-V176 CarbonylContact C-O 3.5Å; L171-V176 HydrophobicContact CB-CB 4.43Å; L171-V176 WeakPolarHBondContact CB-O 3.48Å; L171-V176 HydrophobicContact CD2-CB 4.3Å; L171-V176 HydrophobicContact CD2-CG1 4.15Å; L171-V176 PolarHBondContact O-N 2.95Å; L171-R178 HydrophobicContact CD1-CB 3.84Å; L171-R178 HydrophobicContact CD1-CG 4.41Å; L171-L183 HydrophobicContact CD1-CD2 3.97Å; L171-L183 HydrophobicContact CD2-CD2 4.23Å
172	R	98.4	Very high	98.1	Very high	174 Å²	174	88.1 Å²	88.1	66%	0.657	42%	0.42	S	S	*	.	H	α-helix	trans	-64.6	-41.2	178	179.8	58	178.9	-175.7	1.2	112.4	G168 H169 E170 I174 G175	G168-R172 WeakPolarHBondContact O-CB 3.26Å; G168-R172 PolarHBondContact O-N 3.04Å; H169-R172 PolarHBondContact O-N 3.39Å; E170-R172 VanDerWaalsContact C-N 3.32Å; E170-R172 PolarHBondContact O-N 2.83Å; R172-I174 PolarHBondContact O-N 3.45Å; R172-G175 PolarHBondContact O-N 3.26Å; R172-G175 VanDerWaalsContact O-N 3.1Å
173	E	98.3	Very high	98.1	Very high	156 Å²	156	86 Å²	86	73%	0.729	41%	0.409	S	S	*	.	H	α-helix	trans	-59.2	-34.8	178.7	-79.1	178.3	-174.9	0	0	112.5	H169 E170	H169-E173 WeakPolarHBondContact O-CG 3.14Å; H169-E173 PolarHBondContact O-N 3.22Å; E170-E173 PolarHBondContact O-N 3Å
174	I	98.1	Very high	98.2	Very high	123 Å²	123	80.5 Å²	80.5	63%	0.631	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	5.9	178.3	67.3	169.9	0	0	0	113.8	E170 L171 R172 V176	E170-I174 PolarHBondContact O-N 3.2Å; L171-I174 WeakPolarHBondContact O-CG1 3.42Å; L171-I174 PolarHBondContact O-N 2.96Å; R172-I174 PolarHBondContact O-N 3.45Å; I174-V176 HydrophobicContact CD1-CB 4.42Å; I174-V176 HydrophobicContact CD1-CG2 3.88Å; I174-V176 HydrophobicContact CG1-CB 4.24Å; I174-V176 HydrophobicContact CG1-CG2 3.9Å
175	G	98.2	Very high	98.2	Very high	27 Å²	27	74 Å²	74	28%	0.278	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	43.6	179.1	0	0	0	0	0	113.9	L171 R172 N186	L171-G175 PolarHBondContact O-N 3.16Å; L171-G175 VanDerWaalsContact O-N 3.16Å; R172-G175 PolarHBondContact O-N 3.26Å; R172-G175 VanDerWaalsContact O-N 3.1Å; G175-N186 WeakPolarHBondContact O-CB 3.44Å; G175-N186 PolarHBondContact O-N 2.59Å
176	V	98.7	Very high	98.3	Very high	27 Å²	27	68.1 Å²	68.1	16%	0.164	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.6	173.5	175	0	0	0	0	109.7	L171 I174 L183	L171-V176 CarbonylContact C-O 3.5Å; L171-V176 HydrophobicContact CB-CB 4.43Å; L171-V176 WeakPolarHBondContact CB-O 3.48Å; L171-V176 HydrophobicContact CD2-CB 4.3Å; L171-V176 HydrophobicContact CD2-CG1 4.15Å; L171-V176 PolarHBondContact O-N 2.95Å; I174-V176 HydrophobicContact CD1-CB 4.42Å; I174-V176 HydrophobicContact CD1-CG2 3.88Å; I174-V176 HydrophobicContact CG1-CB 4.24Å; I174-V176 HydrophobicContact CG1-CG2 3.9Å; V176-L183 HydrophobicContact CG1-CB 3.89Å; V176-L183 HydrophobicContact CG1-CD1 4.48Å; V176-L183 HydrophobicContact CG1-CD2 3.91Å; V176-L183 HydrophobicContact CG1-CG 4.3Å
177	N	98.4	Very high	98.4	Very high	45 Å²	45	69.5 Å²	69.5	24%	0.241	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	145.4	175.1	-56.8	-59.6	0	0	0	109.8	L183 V184 N186 Y189	N177-L183 WeakPolarHBondContact O-CA 3.38Å; N177-V184 PolarHBondContact N-O 3.31Å; N177-V184 PolarHBondContact O-N 3.05Å; N177-N186 PolarHBondContact ND2-OD1 3.1Å; N177-Y189 VanDerWaalsContact ND2-CE2 3.35Å; N177-Y189 WeakPolarHBondContact ND2-CE2 3.48Å
178	R	98.6	Very high	98.4	Very high	103 Å²	103	61.6 Å²	61.6	39%	0.389	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	132.2	-178.9	-176.1	163.8	65.2	98.1	-13.7	111.6	F163 L171 G180 L182 L183	F163-R178 PolarHBondContact O-NH1 3.26Å; F163-R178 PolarHBondContact O-NH2 3.36Å; L171-R178 HydrophobicContact CD1-CB 3.84Å; L171-R178 HydrophobicContact CD1-CG 4.41Å; R178-G180 WeakPolarHBondContact CD-O 3.44Å; R178-G180 WeakPolarHBondContact CG-O 3.32Å; R178-G180 PolarHBondContact NH1-O 3.29Å; R178-L182 WeakPolarHBondContact CA-O 3.45Å; R178-L183 HydrophobicContact CB-CD2 4.18Å; R178-L183 HydrophobicContact CG-CD2 4.2Å
179	I	98.5	Very high	98.5	Very high	41 Å²	41	61.2 Å²	61.2	21%	0.21	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	92.2	173.7	-53.3	175.6	0	0	0	107.3	E149 N181 L182 V184	E149-I179 WeakPolarHBondContact OE2-CD1 3.48Å; I179-N181 PolarHBondContact O-N 3.03Å; I179-N181 VanDerWaalsContact O-N 3.15Å; I179-L182 HydrophobicContact CB-CB 4.39Å; I179-L182 PolarHBondContact N-O 2.81Å; I179-L182 WeakPolarHBondContact O-CB 3.2Å; I179-L182 PolarHBondContact O-N 3.41Å; I179-V184 HydrophobicContact CD1-CG2 3.85Å; I179-V184 HydrophobicContact CG1-CG2 4.43Å
180	G	98.2	Very high	98.5	Very high	32 Å²	32	59.9 Å²	59.9	33%	0.33	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	-114.7	-172.4	0	0	0	0	0	111.9	R178	R178-G180 WeakPolarHBondContact CD-O 3.44Å; R178-G180 WeakPolarHBondContact CG-O 3.32Å; R178-G180 PolarHBondContact NH1-O 3.29Å
181	N	98.5	Very high	98.5	Very high	64 Å²	64	59.6 Å²	59.6	34%	0.342	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	17.9	170.7	66.2	-17.1	0	0	0	113.4	G161 F163 I179	G161-N181 CarbonylContact C-O 3.55Å; G161-N181 VanDerWaalsContact CA-O 3.27Å; G161-N181 WeakPolarHBondContact CA-O 3.35Å; G161-N181 PolarHBondContact N-O 2.59Å; F163-N181 HydrophobicContact CD2-CB 3.6Å; F163-N181 HydrophobicContact CE2-CB 3.56Å; F163-N181 HydrophobicContact CG-CB 4.19Å; F163-N181 HydrophobicContact CZ-CB 4.15Å; I179-N181 PolarHBondContact O-N 3.03Å; I179-N181 VanDerWaalsContact O-N 3.15Å
182	L	98.8	Very high	98.5	Very high	27 Å²	27	59.2 Å²	59.2	14%	0.141	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	150.2	174.3	-51.5	178.1	0	0	0	110.3	S121 Y159 V160 R178 I179	S121-L182 VanDerWaalsContact O-CD1 3.25Å; S121-L182 WeakPolarHBondContact O-CD1 3.26Å; Y159-L182 CarbonylContact O-C 3.56Å; Y159-L182 WeakPolarHBondContact O-CA 3.33Å; V160-L182 HydrophobicContact CG2-CD2 4.44Å; R178-L182 WeakPolarHBondContact CA-O 3.45Å; I179-L182 HydrophobicContact CB-CB 4.39Å; I179-L182 PolarHBondContact N-O 2.81Å; I179-L182 WeakPolarHBondContact O-CB 3.2Å; I179-L182 PolarHBondContact O-N 3.41Å
183	L	98.8	Very high	98.5	Very high	23 Å²	23	54.2 Å²	54.2	12%	0.12	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	133.2	177.6	-60.6	177.7	0	0	0	110.3	Y159 W166 L171 V176 N177 R178	Y159-L183 PolarHBondContact N-O 3.3Å; Y159-L183 PolarHBondContact O-N 3.15Å; W166-L183 HydrophobicContact CE3-CD1 4.31Å; W166-L183 HydrophobicContact CH2-CD1 4.4Å; W166-L183 HydrophobicContact CZ3-CD1 3.95Å; L171-L183 HydrophobicContact CD1-CD2 3.97Å; L171-L183 HydrophobicContact CD2-CD2 4.23Å; V176-L183 HydrophobicContact CG1-CB 3.89Å; V176-L183 HydrophobicContact CG1-CD1 4.48Å; V176-L183 HydrophobicContact CG1-CD2 3.91Å; V176-L183 HydrophobicContact CG1-CG 4.3Å; N177-L183 WeakPolarHBondContact O-CA 3.38Å; R178-L183 HydrophobicContact CB-CD2 4.18Å; R178-L183 HydrophobicContact CG-CD2 4.2Å
184	V	98.7	Very high	98.5	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.018	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	108.6	178.2	-172.8	0	0	0	0	108.6	N177 I179 N188 Y189	N177-V184 PolarHBondContact N-O 3.31Å; N177-V184 PolarHBondContact O-N 3.05Å; I179-V184 HydrophobicContact CD1-CG2 3.85Å; I179-V184 HydrophobicContact CG1-CG2 4.43Å; V184-N188 HydrophobicContact CG1-CB 4.1Å; V184-Y189 HydrophobicContact CB-CE2 4.4Å; V184-Y189 HydrophobicContact CG1-CE2 3.71Å
185	P	98.7	Very high	98.5	Very high	34 Å²	34	49.6 Å²	49.6	22%	0.221	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	140.2	175.5	-23	33.9	0	0	0	111.5	Y159 N187 N188	Y159-P185 HydrophobicContact CD2-CG 4.09Å; Y159-P185 HydrophobicContact CE2-CG 3.82Å; P185-N187 PolarHBondContact O-N 2.69Å; P185-N187 VanDerWaalsContact O-N 3.15Å; P185-N188 WeakPolarHBondContact O-CB 3.48Å; P185-N188 PolarHBondContact O-N 3.34Å; P185-N188 PolarHBondContact O-OD1 2.76Å
186	N	98.5	Very high	98.6	Very high	62 Å²	62	48.3 Å²	48.3	33%	0.332	25%	0.247	S	C	.	.	H	α-helix	trans	-65.5	-22.7	-176.8	-153.8	65.3	0	0	0	112.9	G175 N177 N188 Y189 V190	G175-N186 WeakPolarHBondContact O-CB 3.44Å; G175-N186 PolarHBondContact O-N 2.59Å; N177-N186 PolarHBondContact ND2-OD1 3.1Å; N186-N188 PolarHBondContact O-N 3.01Å; N186-N188 VanDerWaalsContact O-N 3.16Å; N186-Y189 PolarHBondContact O-N 3.34Å; N186-V190 PolarHBondContact O-N 3.34Å
187	N	98.6	Very high	98.5	Very high	115 Å²	115	48.2 Å²	48.2	62%	0.615	25%	0.245	S	C	*	.	H	α-helix	trans	-58.3	-23.4	171.7	-71.1	-1.9	0	0	0	113.1	P185 V190 Q191	P185-N187 PolarHBondContact O-N 2.69Å; P185-N187 VanDerWaalsContact O-N 3.15Å; N187-V190 PolarHBondContact O-N 3.4Å; N187-Q191 WeakPolarHBondContact O-CG 3.13Å; N187-Q191 PolarHBondContact O-N 3.1Å; N187-Q191 VanDerWaalsContact O-N 3.08Å; N187-Q191 PolarHBondContact O-NE2 3.26Å
188	N	98.7	Very high	98.5	Very high	6 Å²	6	49.2 Å²	49.2	3%	0.032	26%	0.255	C	S	.	.	H	α-helix	trans	-63.9	-43.4	173.6	-67.2	30.8	0	0	0	110.7	I152 A156 P157 V184 P185 N186 Q191 F192	I152-N188 HydrophobicContact CG2-CB 3.7Å; A156-N188 HydrophobicContact CB-CB 4.23Å; A156-N188 VanDerWaalsContact CB-CG 3.48Å; A156-N188 WeakPolarHBondContact CB-OD1 3.43Å; A156-N188 PolarHBondContact O-ND2 3.34Å; P157-N188 PolarHBondContact O-ND2 3.01Å; V184-N188 HydrophobicContact CG1-CB 4.1Å; P185-N188 WeakPolarHBondContact O-CB 3.48Å; P185-N188 PolarHBondContact O-N 3.34Å; P185-N188 PolarHBondContact O-OD1 2.76Å; N186-N188 PolarHBondContact O-N 3.01Å; N186-N188 VanDerWaalsContact O-N 3.16Å; N188-Q191 PolarHBondContact O-N 3.04Å; N188-F192 WeakPolarHBondContact O-CB 3.28Å; N188-F192 PolarHBondContact O-N 3.21Å
189	Y	98.6	Very high	98.5	Very high	42 Å²	42	44.9 Å²	44.9	17%	0.165	24%	0.239	C	C	.	.	H	α-helix	trans	-71.6	-32.1	177.7	-60.3	-77.1	0	0	0	112.3	I152 N177 V184 N186 F192 E193 S253	I152-Y189 HydrophobicContact CD1-CD1 3.71Å; I152-Y189 HydrophobicContact CD1-CE1 3.59Å; N177-Y189 VanDerWaalsContact ND2-CE2 3.35Å; N177-Y189 WeakPolarHBondContact ND2-CE2 3.48Å; V184-Y189 HydrophobicContact CB-CE2 4.4Å; V184-Y189 HydrophobicContact CG1-CE2 3.71Å; N186-Y189 PolarHBondContact O-N 3.34Å; Y189-F192 WeakPolarHBondContact O-CB 3.47Å; Y189-F192 PolarHBondContact O-N 3.3Å; Y189-E193 PolarHBondContact O-N 2.86Å; Y189-S253 VanDerWaalsContact CD1-OG 3.31Å; Y189-S253 WeakPolarHBondContact CD1-OG 3.39Å
190	V	98.4	Very high	98.5	Very high	62 Å²	62	43 Å²	43	38%	0.376	23%	0.229	S	C	.	.	H	α-helix	trans	-62.1	-44.5	171.8	178	0	0	0	0	111	N186 N187 F192 E193 Q194	N186-V190 PolarHBondContact O-N 3.34Å; N187-V190 PolarHBondContact O-N 3.4Å; V190-F192 VanDerWaalsContact C-N 3.32Å; V190-E193 PolarHBondContact O-N 2.78Å; V190-Q194 VanDerWaalsContact O-CG 3.31Å; V190-Q194 WeakPolarHBondContact O-CG 3.13Å; V190-Q194 PolarHBondContact O-N 3.32Å; V190-Q194 VanDerWaalsContact O-N 3.14Å
191	Q	98.6	Very high	98.5	Very high	78 Å²	78	43.6 Å²	43.6	36%	0.364	23%	0.225	S	C	.	.	H	α-helix	trans	-66	-36.7	175.6	-72.4	177.9	68.6	0	0	111.9	L155 N187 N188 Q194 W195	L155-Q191 HydrophobicContact CB-CB 4.45Å; L155-Q191 HydrophobicContact CD1-CB 4.42Å; N187-Q191 WeakPolarHBondContact O-CG 3.13Å; N187-Q191 PolarHBondContact O-N 3.1Å; N187-Q191 VanDerWaalsContact O-N 3.08Å; N187-Q191 PolarHBondContact O-NE2 3.26Å; N188-Q191 PolarHBondContact O-N 3.04Å; Q191-Q194 PolarHBondContact O-N 3.46Å; Q191-W195 WeakPolarHBondContact O-CB 3.15Å; Q191-W195 PolarHBondContact O-N 3.24Å
192	F	98.7	Very high	98.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.6	-45.2	176.4	-177.6	-117.1	0	0	0	112.6	E148 F151 I152 L155 N188 Y189 V190 Q194 W195 L196 L254 V257	E148-F192 HydrophobicContact CB-CE1 4.12Å; E148-F192 HydrophobicContact CB-CZ 3.87Å; F151-F192 HydrophobicContact CB-CD2 4.44Å; F151-F192 HydrophobicContact CB-CE2 3.95Å; I152-F192 HydrophobicContact CD1-CB 4.41Å; I152-F192 HydrophobicContact CD1-CD1 4.31Å; I152-F192 HydrophobicContact CD1-CG 4.17Å; I152-F192 HydrophobicContact CG1-CB 3.8Å; I152-F192 HydrophobicContact CG1-CD1 4.31Å; I152-F192 HydrophobicContact CG1-CD2 3.73Å; I152-F192 HydrophobicContact CG1-CE2 4.38Å; I152-F192 HydrophobicContact CG1-CG 3.69Å; L155-F192 HydrophobicContact CD1-CB 4.34Å; L155-F192 HydrophobicContact CD1-CD2 4.42Å; N188-F192 WeakPolarHBondContact O-CB 3.28Å; N188-F192 PolarHBondContact O-N 3.21Å; Y189-F192 WeakPolarHBondContact O-CB 3.47Å; Y189-F192 PolarHBondContact O-N 3.3Å; V190-F192 VanDerWaalsContact C-N 3.32Å; F192-Q194 VanDerWaalsContact C-N 3.35Å; F192-Q194 PolarHBondContact O-N 3.29Å; F192-W195 AromaticContact CD2-CE3 3.93Å; F192-W195 HydrophobicContact CD2-CE3 3.93Å; F192-W195 HydrophobicContact CD2-CZ3 4.24Å; F192-W195 AromaticContact CE2-CE3 3.9Å; F192-W195 HydrophobicContact CE2-CE3 3.9Å; F192-W195 AromaticContact CE2-CZ3 3.75Å; F192-W195 HydrophobicContact CE2-CZ3 3.75Å; F192-W195 PolarHBondContact O-N 2.86Å; F192-L196 HydrophobicContact CE1-CD2 3.81Å; F192-L196 HydrophobicContact CE2-CD2 4.37Å; F192-L196 HydrophobicContact CZ-CD2 3.67Å; F192-L196 VanDerWaalsContact O-CB 3.23Å; F192-L196 WeakPolarHBondContact O-CB 3.41Å; F192-L196 PolarHBondContact O-N 2.94Å; F192-L254 HydrophobicContact CE1-CB 4.3Å; F192-L254 HydrophobicContact CZ-CB 4.33Å; F192-L254 HydrophobicContact CZ-CD1 4.49Å; F192-V257 HydrophobicContact CD1-CG2 4.21Å; F192-V257 HydrophobicContact CE1-CG2 4.34Å
193	E	98.4	Very high	98.5	Very high	69 Å²	69	44.1 Å²	44.1	32%	0.322	22%	0.224	S	C	.	.	H	α-helix	trans	-60.1	-45.1	174.3	-178.1	176.1	-167.8	0	0	111.4	Y189 V190 W195 L196 L197 V257 S260	Y189-E193 PolarHBondContact O-N 2.86Å; V190-E193 PolarHBondContact O-N 2.78Å; E193-W195 VanDerWaalsContact C-N 3.28Å; E193-W195 PolarHBondContact O-N 3.19Å; E193-L196 PolarHBondContact O-N 2.98Å; E193-L197 HydrophobicContact CG-CD1 3.6Å; E193-L197 HydrophobicContact CG-CG 3.88Å; E193-L197 WeakPolarHBondContact O-CB 3.34Å; E193-L197 WeakPolarHBondContact O-CG 3.43Å; E193-L197 PolarHBondContact O-N 3.31Å; E193-V257 HydrophobicContact CB-CG2 3.91Å; E193-V257 HydrophobicContact CG-CG1 4.28Å; E193-V257 HydrophobicContact CG-CG2 4.12Å; E193-S260 PolarHBondContact OE1-OG 3.23Å; E193-S260 VanDerWaalsContact OE1-OG 3.11Å
194	Q	98.2	Very high	98.5	Very high	133 Å²	133	43.6 Å²	43.6	62%	0.621	22%	0.222	S	C	*	.	H	α-helix	trans	-59.9	-37.8	177.7	-73	174.4	-1.3	0	0	112.8	V190 Q191 F192 P198	V190-Q194 VanDerWaalsContact O-CG 3.31Å; V190-Q194 WeakPolarHBondContact O-CG 3.13Å; V190-Q194 PolarHBondContact O-N 3.32Å; V190-Q194 VanDerWaalsContact O-N 3.14Å; Q191-Q194 PolarHBondContact O-N 3.46Å; F192-Q194 VanDerWaalsContact C-N 3.35Å; F192-Q194 PolarHBondContact O-N 3.29Å; Q194-P198 VanDerWaalsContact O-CD 3.31Å; Q194-P198 WeakPolarHBondContact O-CD 3.17Å
195	W	98.7	Very high	98.5	Very high	49 Å²	49	45.1 Å²	45.1	19%	0.186	24%	0.238	C	C	.	.	H	α-helix	trans	-74.2	-41.7	176.7	172.9	75.9	0	0	0	112.5	F151 L155 Q191 F192 E193 I199 L223 E226 I227	F151-W195 HydrophobicContact CB-CH2 4.33Å; F151-W195 HydrophobicContact CB-CZ3 4.1Å; F151-W195 AromaticContact CD1-CH2 4Å; F151-W195 HydrophobicContact CD1-CH2 4Å; F151-W195 HydrophobicContact CD2-CH2 4.48Å; F151-W195 HydrophobicContact CD2-CZ3 4.46Å; F151-W195 HydrophobicContact CE1-CH2 4.45Å; F151-W195 HydrophobicContact CG-CH2 4.03Å; F151-W195 HydrophobicContact CG-CZ3 4.15Å; L155-W195 HydrophobicContact CD1-CB 4.01Å; L155-W195 HydrophobicContact CD1-CG 4.34Å; L155-W195 HydrophobicContact CD2-CG 4.45Å; Q191-W195 WeakPolarHBondContact O-CB 3.15Å; Q191-W195 PolarHBondContact O-N 3.24Å; F192-W195 AromaticContact CD2-CE3 3.93Å; F192-W195 HydrophobicContact CD2-CE3 3.93Å; F192-W195 HydrophobicContact CD2-CZ3 4.24Å; F192-W195 AromaticContact CE2-CE3 3.9Å; F192-W195 HydrophobicContact CE2-CE3 3.9Å; F192-W195 AromaticContact CE2-CZ3 3.75Å; F192-W195 HydrophobicContact CE2-CZ3 3.75Å; F192-W195 PolarHBondContact O-N 2.86Å; E193-W195 VanDerWaalsContact C-N 3.28Å; E193-W195 PolarHBondContact O-N 3.19Å; W195-I199 HydrophobicContact CD2-CD1 3.99Å; W195-I199 HydrophobicContact CE3-CD1 4.39Å; W195-I199 HydrophobicContact CH2-CD1 4.07Å; W195-I199 HydrophobicContact CZ2-CD1 3.59Å; W195-I199 HydrophobicContact CZ3-CD1 4.43Å; W195-I199 WeakPolarHBondContact O-CD1 3.42Å; W195-L223 HydrophobicContact CH2-CB 4.1Å; W195-L223 HydrophobicContact CH2-CD2 3.92Å; W195-L223 HydrophobicContact CH2-CG 4.48Å; W195-L223 HydrophobicContact CZ3-CD2 4.24Å; W195-E226 HydrophobicContact CZ2-CB 4.07Å; W195-I227 HydrophobicContact CD2-CD1 4.4Å; W195-I227 HydrophobicContact CH2-CB 4.37Å; W195-I227 HydrophobicContact CH2-CD1 4.24Å; W195-I227 HydrophobicContact CZ2-CB 3.85Å; W195-I227 HydrophobicContact CZ2-CD1 3.71Å; W195-I227 HydrophobicContact CZ2-CG1 4.39Å
196	L	98.5	Very high	98.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-81	-36.8	-170.5	-179.3	57.3	0	0	0	113.4	F192 E193 I199 L200 L223 L254 V257	F192-L196 HydrophobicContact CE1-CD2 3.81Å; F192-L196 HydrophobicContact CE2-CD2 4.37Å; F192-L196 HydrophobicContact CZ-CD2 3.67Å; F192-L196 VanDerWaalsContact O-CB 3.23Å; F192-L196 WeakPolarHBondContact O-CB 3.41Å; F192-L196 PolarHBondContact O-N 2.94Å; E193-L196 PolarHBondContact O-N 2.98Å; L196-I199 WeakPolarHBondContact O-CB 3.28Å; L196-I199 PolarHBondContact O-N 2.79Å; L196-I199 VanDerWaalsContact O-N 3.09Å; L196-L200 HydrophobicContact CD1-CD1 4.46Å; L196-L200 HydrophobicContact CD1-CD2 4.14Å; L196-L200 HydrophobicContact CD1-CG 3.98Å; L196-L200 HydrophobicContact CD2-CD1 4.4Å; L196-L200 HydrophobicContact CG-CD1 3.95Å; L196-L200 HydrophobicContact CG-CG 3.97Å; L196-L200 WeakPolarHBondContact O-CG 3.18Å; L196-L200 PolarHBondContact O-N 3.19Å; L196-L223 HydrophobicContact CD1-CD1 4.2Å; L196-L223 HydrophobicContact CD1-CD2 3.49Å; L196-L223 VanDerWaalsContact CD1-CD2 3.49Å; L196-L254 HydrophobicContact CD2-CG 4.23Å; L196-V257 HydrophobicContact CB-CG1 4.1Å; L196-V257 HydrophobicContact CD2-CB 3.84Å; L196-V257 HydrophobicContact CD2-CG1 3.74Å; L196-V257 HydrophobicContact CD2-CG2 4.31Å; L196-V257 HydrophobicContact CG-CG1 3.88Å
197	L	97.8	Very high	98.5	Very high	24 Å²	24	43.8 Å²	43.8	13%	0.126	23%	0.227	C	C	.	.	H	α-helix	trans	-55.9	-47.2	-175.5	-78.8	175.8	0	0	0	114.2	E193 I199 L200 D201 V257 H261	E193-L197 HydrophobicContact CG-CD1 3.6Å; E193-L197 HydrophobicContact CG-CG 3.88Å; E193-L197 WeakPolarHBondContact O-CB 3.34Å; E193-L197 WeakPolarHBondContact O-CG 3.43Å; E193-L197 PolarHBondContact O-N 3.31Å; L197-I199 VanDerWaalsContact C-N 3.27Å; L197-I199 PolarHBondContact O-N 3.36Å; L197-L200 PolarHBondContact O-N 2.96Å; L197-D201 PolarHBondContact O-N 2.86Å; L197-V257 HydrophobicContact CD2-CG1 3.87Å; L197-V257 HydrophobicContact CG-CG1 4.05Å; L197-H261 HydrophobicContact CD2-CB 3.97Å
198	P	97.9	Very high	98.4	Very high	67 Å²	67	43.7 Å²	43.7	44%	0.435	23%	0.226	S	C	.	.	H	α-helix	trans	-61.8	-36	176.9	-22.3	34.1	0	0	0	112.7	Q194 L200 D201 E202	Q194-P198 VanDerWaalsContact O-CD 3.31Å; Q194-P198 WeakPolarHBondContact O-CD 3.17Å; P198-L200 VanDerWaalsContact C-N 3.34Å; P198-D201 WeakPolarHBondContact O-CB 3.47Å; P198-D201 PolarHBondContact O-N 3.49Å; P198-E202 PolarHBondContact O-N 3.15Å; P198-E202 VanDerWaalsContact O-N 3.13Å
199	I	98.6	Very high	98.4	Very high	11 Å²	11	47.8 Å²	47.8	6%	0.056	26%	0.256	C	S	.	.	H	α-helix	trans	-66.5	-40.5	177.3	-57.9	166.4	0	0	0	109.9	W195 L196 L197 D201 E202 V203 R222 L223 E226	W195-I199 HydrophobicContact CD2-CD1 3.99Å; W195-I199 HydrophobicContact CE3-CD1 4.39Å; W195-I199 HydrophobicContact CH2-CD1 4.07Å; W195-I199 HydrophobicContact CZ2-CD1 3.59Å; W195-I199 HydrophobicContact CZ3-CD1 4.43Å; W195-I199 WeakPolarHBondContact O-CD1 3.42Å; L196-I199 WeakPolarHBondContact O-CB 3.28Å; L196-I199 PolarHBondContact O-N 2.79Å; L196-I199 VanDerWaalsContact O-N 3.09Å; L197-I199 VanDerWaalsContact C-N 3.27Å; L197-I199 PolarHBondContact O-N 3.36Å; I199-D201 VanDerWaalsContact C-N 3.33Å; I199-D201 PolarHBondContact O-N 2.85Å; I199-E202 WeakPolarHBondContact O-CB 3.48Å; I199-E202 PolarHBondContact O-N 2.85Å; I199-V203 HydrophobicContact CG2-CG2 4.2Å; I199-V203 WeakPolarHBondContact O-CB 3.35Å; I199-V203 VanDerWaalsContact O-CG2 3.24Å; I199-V203 WeakPolarHBondContact O-CG2 3.42Å; I199-V203 PolarHBondContact O-N 3.47Å; I199-R222 HydrophobicContact CG2-CG 4.47Å; I199-L223 HydrophobicContact CD1-CD2 4.27Å; I199-L223 HydrophobicContact CG2-CD2 3.89Å; I199-E226 HydrophobicContact CD1-CB 3.66Å; I199-E226 HydrophobicContact CD1-CG 3.94Å; I199-E226 HydrophobicContact CG1-CB 4.37Å; I199-E226 HydrophobicContact CG1-CG 4.15Å; I199-E226 HydrophobicContact CG2-CG 4.03Å
200	L	98.6	Very high	98.4	Very high	1 Å²	1	52 Å²	52	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-65.9	-34	176	-65.5	179.6	0	0	0	112.7	L196 L197 P198 E202 V203 L204 L219 V257 L258 H261 L268	L196-L200 HydrophobicContact CD1-CD1 4.46Å; L196-L200 HydrophobicContact CD1-CD2 4.14Å; L196-L200 HydrophobicContact CD1-CG 3.98Å; L196-L200 HydrophobicContact CD2-CD1 4.4Å; L196-L200 HydrophobicContact CG-CD1 3.95Å; L196-L200 HydrophobicContact CG-CG 3.97Å; L196-L200 WeakPolarHBondContact O-CG 3.18Å; L196-L200 PolarHBondContact O-N 3.19Å; L197-L200 PolarHBondContact O-N 2.96Å; P198-L200 VanDerWaalsContact C-N 3.34Å; L200-E202 VanDerWaalsContact C-N 3.34Å; L200-V203 PolarHBondContact O-N 3.29Å; L200-L204 WeakPolarHBondContact O-CB 3.42Å; L200-L204 PolarHBondContact O-N 3.49Å; L200-L219 HydrophobicContact CD2-CD1 4.45Å; L200-V257 HydrophobicContact CD1-CG1 3.93Å; L200-L258 HydrophobicContact CD1-CD2 4Å; L200-L258 HydrophobicContact CD2-CD2 3.88Å; L200-H261 HydrophobicContact CD1-CB 3.94Å; L200-L268 HydrophobicContact CD2-CD2 4.01Å
201	D	98.3	Very high	98.3	Very high	46 Å²	46	56.1 Å²	56.1	25%	0.246	30%	0.297	C	S	.	.	H	α-helix	trans	-60.8	-43.1	171	-76.9	-24.1	0	0	0	110.8	L197 P198 I199 G205 H261 R264 S265	L197-D201 PolarHBondContact O-N 2.86Å; P198-D201 WeakPolarHBondContact O-CB 3.47Å; P198-D201 PolarHBondContact O-N 3.49Å; I199-D201 VanDerWaalsContact C-N 3.33Å; I199-D201 PolarHBondContact O-N 2.85Å; D201-G205 PolarHBondContact O-N 3.48Å; D201-H261 PolarHBondContact N-NE2 3.19Å; D201-H261 IonicContact OD1-CD2 3.1Å; D201-H261 IonicContact OD1-CE1 2.66Å; D201-H261 IonicContact OD1-NE2 3.44Å; D201-H261 PolarHBondContact OD1-NE2 3.12Å; D201-R264 IonicContact OD2-CZ 3.25Å; D201-R264 IonicContact OD2-NE 3.23Å; D201-R264 PolarHBondContact OD2-NE 2.79Å; D201-R264 IonicContact OD2-NH2 3.9Å; D201-R264 PolarHBondContact OD2-NH2 3.32Å; D201-S265 WeakPolarHBondContact OD1-CB 3.36Å; D201-S265 PolarHBondContact OD1-OG 3.01Å
202	E	98.5	Very high	98.2	Very high	100 Å²	100	54.5 Å²	54.5	47%	0.467	29%	0.29	S	S	.	.	H	α-helix	trans	-66.8	-46.6	175.2	-68.6	-178.3	-162.4	0	0	112.9	P198 I199 L200 L204 G205 E206 R222	P198-E202 PolarHBondContact O-N 3.15Å; P198-E202 VanDerWaalsContact O-N 3.13Å; I199-E202 WeakPolarHBondContact O-CB 3.48Å; I199-E202 PolarHBondContact O-N 2.85Å; L200-E202 VanDerWaalsContact C-N 3.34Å; E202-L204 VanDerWaalsContact C-N 3.29Å; E202-L204 PolarHBondContact O-N 3.37Å; E202-G205 CarbonylContact O-C 3.58Å; E202-G205 WeakPolarHBondContact O-CA 3.47Å; E202-G205 PolarHBondContact O-N 3.09Å; E202-E206 WeakPolarHBondContact O-CG 3.3Å; E202-E206 PolarHBondContact O-N 3.13Å; E202-R222 IonicContact OE2-CZ 2.77Å; E202-R222 IonicContact OE2-NH2 2.72Å; E202-R222 PolarHBondContact OE2-NH2 2.98Å
203	V	98.5	Very high	98.2	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.006	31%	0.308	C	S	.	.	H	α-helix	trans	-56.7	-43.2	177.4	164.8	0	0	0	0	110.6	I199 L200 E206 Q207 W214 L219 R222 L268	I199-V203 HydrophobicContact CG2-CG2 4.2Å; I199-V203 WeakPolarHBondContact O-CB 3.35Å; I199-V203 VanDerWaalsContact O-CG2 3.24Å; I199-V203 WeakPolarHBondContact O-CG2 3.42Å; I199-V203 PolarHBondContact O-N 3.47Å; L200-V203 PolarHBondContact O-N 3.29Å; V203-E206 PolarHBondContact O-N 2.95Å; V203-Q207 WeakPolarHBondContact O-CB 3.39Å; V203-Q207 PolarHBondContact O-N 3.14Å; V203-W214 HydrophobicContact CB-CZ2 4.25Å; V203-W214 HydrophobicContact CG1-CD2 3.79Å; V203-W214 VanDerWaalsContact CG1-CE2 3.47Å; V203-W214 HydrophobicContact CG1-CE3 4.5Å; V203-W214 HydrophobicContact CG1-CG 3.95Å; V203-W214 HydrophobicContact CG1-CZ2 3.94Å; V203-W214 HydrophobicContact CG2-CH2 4.39Å; V203-W214 HydrophobicContact CG2-CZ2 4.18Å; V203-W214 PolarHBondContact O-NE1 3.17Å; V203-L219 HydrophobicContact CG1-CD1 4.33Å; V203-L219 HydrophobicContact CG2-CD1 4.14Å; V203-R222 HydrophobicContact CG2-CG 4.2Å; V203-L268 HydrophobicContact CG1-CD1 3.67Å; V203-L268 HydrophobicContact CG1-CD2 4.39Å
204	L	98.5	Very high	98.2	Very high	13 Å²	13	55.2 Å²	55.2	7%	0.068	30%	0.295	C	S	.	.	H	α-helix	trans	-67.1	-41.1	174.2	177.4	60.1	0	0	0	112.1	L200 E202 E206 Q207 N208 S265 L268	L200-L204 WeakPolarHBondContact O-CB 3.42Å; L200-L204 PolarHBondContact O-N 3.49Å; E202-L204 VanDerWaalsContact C-N 3.29Å; E202-L204 PolarHBondContact O-N 3.37Å; L204-E206 VanDerWaalsContact C-N 3.31Å; L204-E206 PolarHBondContact O-N 3.33Å; L204-Q207 WeakPolarHBondContact O-CB 3.43Å; L204-Q207 PolarHBondContact O-N 3.24Å; L204-N208 VanDerWaalsContact O-CG 3.31Å; L204-N208 PolarHBondContact O-N 2.97Å; L204-N208 PolarHBondContact O-ND2 2.96Å; L204-S265 WeakPolarHBondContact CD2-O 3.37Å; L204-L268 HydrophobicContact CD1-CB 4.18Å
205	G	98.3	Very high	98.3	Very high	35 Å²	35	48.9 Å²	48.9	36%	0.361	27%	0.265	S	S	.	.	H	α-helix	trans	-56.9	-45.4	174.5	0	0	0	0	0	112.2	D201 E202 N208 S209	D201-G205 PolarHBondContact O-N 3.48Å; E202-G205 CarbonylContact O-C 3.58Å; E202-G205 WeakPolarHBondContact O-CA 3.47Å; E202-G205 PolarHBondContact O-N 3.09Å; G205-N208 PolarHBondContact O-N 3.39Å; G205-S209 VanDerWaalsContact O-CB 3.3Å; G205-S209 WeakPolarHBondContact O-CB 3.39Å; G205-S209 PolarHBondContact O-N 3.03Å; G205-S209 PolarHBondContact O-OG 2.85Å
206	E	98.6	Very high	98.3	Very high	43 Å²	43	46.5 Å²	46.5	20%	0.201	26%	0.257	C	S	.	.	H	α-helix	trans	-66.5	-40.5	175.9	-69.8	170	-169.2	0	0	112	E202 V203 L204 N208 Q210 I212 W214 R222	E202-E206 WeakPolarHBondContact O-CG 3.3Å; E202-E206 PolarHBondContact O-N 3.13Å; V203-E206 PolarHBondContact O-N 2.95Å; L204-E206 VanDerWaalsContact C-N 3.31Å; L204-E206 PolarHBondContact O-N 3.33Å; E206-N208 VanDerWaalsContact C-N 3.29Å; E206-N208 PolarHBondContact O-N 2.99Å; E206-Q210 WeakPolarHBondContact O-CA 3.35Å; E206-Q210 WeakPolarHBondContact O-CB 3.44Å; E206-Q210 PolarHBondContact O-N 3.37Å; E206-I212 HydrophobicContact CB-CD1 3.94Å; E206-W214 HydrophobicContact CB-CZ2 4.14Å; E206-W214 VanDerWaalsContact OE2-CZ2 3.23Å; E206-W214 WeakPolarHBondContact OE2-CZ2 3.48Å; E206-R222 IonicContact OE1-CZ 3.73Å; E206-R222 IonicContact OE1-NH1 3.69Å; E206-R222 PolarHBondContact OE1-NH1 2.92Å; E206-R222 IonicContact OE2-NH1 3.97Å; E206-R222 PolarHBondContact OE2-NH1 3.48Å
207	Q	98.6	Very high	98.3	Very high	24 Å²	24	47 Å²	47	11%	0.112	26%	0.26	C	S	.	.	H	α-helix	trans	-55.4	-46.9	173.2	-171.9	-172.1	-92.3	0	0	110.9	V203 L204 N211 I212 G267 K269	V203-Q207 WeakPolarHBondContact O-CB 3.39Å; V203-Q207 PolarHBondContact O-N 3.14Å; L204-Q207 WeakPolarHBondContact O-CB 3.43Å; L204-Q207 PolarHBondContact O-N 3.24Å; Q207-N211 WeakPolarHBondContact O-CA 3.24Å; Q207-N211 PolarHBondContact O-N 3.33Å; Q207-N211 VanDerWaalsContact O-N 3.1Å; Q207-I212 WeakPolarHBondContact CG-O 3.44Å; Q207-G267 PolarHBondContact NE2-O 2.81Å; Q207-K269 PolarHBondContact OE1-O 2.97Å
208	N	98	Very high	98.3	Very high	113 Å²	113	49 Å²	49	60%	0.604	27%	0.268	S	S	*	.	H	α-helix	trans	-78.9	-36.7	-174.4	-65.4	-23.2	0	0	0	113	L204 G205 E206	L204-N208 VanDerWaalsContact O-CG 3.31Å; L204-N208 PolarHBondContact O-N 2.97Å; L204-N208 PolarHBondContact O-ND2 2.96Å; G205-N208 PolarHBondContact O-N 3.39Å; E206-N208 VanDerWaalsContact C-N 3.29Å; E206-N208 PolarHBondContact O-N 2.99Å
209	S	98.1	Very high	98.4	Very high	93 Å²	93	45.9 Å²	45.9	65%	0.65	25%	0.248	S	C	*	.	H	α-helix	trans	-87.7	-32.2	-175.5	59.9	0	0	0	0	113.8	G205	G205-S209 VanDerWaalsContact O-CB 3.3Å; G205-S209 WeakPolarHBondContact O-CB 3.39Å; G205-S209 PolarHBondContact O-N 3.03Å; G205-S209 PolarHBondContact O-OG 2.85Å
210	Q	98	Very high	98.4	Very high	129 Å²	129	45.4 Å²	45.4	60%	0.603	25%	0.245	S	C	*	.	H	α-helix	trans	-113.9	-0.5	-175.4	-56.8	175.2	24.2	0	0	112.7	E206 I212	E206-Q210 WeakPolarHBondContact O-CA 3.35Å; E206-Q210 WeakPolarHBondContact O-CB 3.44Å; E206-Q210 PolarHBondContact O-N 3.37Å; Q210-I212 VanDerWaalsContact C-N 3.26Å; Q210-I212 HydrophobicContact CB-CD1 4.43Å; Q210-I212 HydrophobicContact CB-CG1 3.99Å; Q210-I212 PolarHBondContact O-N 3.32Å
211	N	96.6	Very high	98.4	Very high	149 Å²	149	47.2 Å²	47.2	80%	0.797	26%	0.255	S	S	*	.			trans	57.1	37.8	-178.3	-163.5	56.9	0	0	0	112.8	Q207 N213	Q207-N211 WeakPolarHBondContact O-CA 3.24Å; Q207-N211 PolarHBondContact O-N 3.33Å; Q207-N211 VanDerWaalsContact O-N 3.1Å; N211-N213 PolarHBondContact O-N 3.22Å
212	I	97.8	Very high	98.4	Very high	45 Å²	45	46.1 Å²	46.1	23%	0.231	25%	0.247	C	C	.	.			trans	-70.1	124	176.1	-61.6	-174	0	0	0	109.4	E206 Q207 Q210 W214	E206-I212 HydrophobicContact CB-CD1 3.94Å; Q207-I212 WeakPolarHBondContact CG-O 3.44Å; Q210-I212 VanDerWaalsContact C-N 3.26Å; Q210-I212 HydrophobicContact CB-CD1 4.43Å; Q210-I212 HydrophobicContact CB-CG1 3.99Å; Q210-I212 PolarHBondContact O-N 3.32Å; I212-W214 HydrophobicContact CB-CZ2 4.48Å; I212-W214 HydrophobicContact CD1-CH2 4.46Å; I212-W214 HydrophobicContact CD1-CZ2 4.03Å; I212-W214 HydrophobicContact CG2-CD2 3.79Å; I212-W214 HydrophobicContact CG2-CE3 4.24Å; I212-W214 HydrophobicContact CG2-CG 4.18Å; I212-W214 HydrophobicContact CG2-CH2 4.39Å; I212-W214 HydrophobicContact CG2-CZ2 3.96Å; I212-W214 PolarHBondContact O-N 2.99Å
213	N	98.3	Very high	98.4	Very high	68 Å²	68	41.3 Å²	41.3	36%	0.364	23%	0.225	S	C	.	.			trans	-82.1	101.3	165.4	-170.8	41.5	0	0	0	109.2	N211 K218 D271 E274	N211-N213 PolarHBondContact O-N 3.22Å; N213-K218 WeakPolarHBondContact O-CD 3.41Å; N213-K218 PolarHBondContact O-NZ 2.96Å; N213-D271 PolarHBondContact ND2-OD2 2.62Å; N213-E274 PolarHBondContact ND2-OE2 3.19Å
214	W	98.6	Very high	98.4	Very high	15 Å²	15	41.3 Å²	41.3	6%	0.057	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-72.7	140.1	177.3	-69.3	108.8	0	0	0	110.8	V203 E206 I212 K218 R222 I270 D271	V203-W214 HydrophobicContact CB-CZ2 4.25Å; V203-W214 HydrophobicContact CG1-CD2 3.79Å; V203-W214 VanDerWaalsContact CG1-CE2 3.47Å; V203-W214 HydrophobicContact CG1-CE3 4.5Å; V203-W214 HydrophobicContact CG1-CG 3.95Å; V203-W214 HydrophobicContact CG1-CZ2 3.94Å; V203-W214 HydrophobicContact CG2-CH2 4.39Å; V203-W214 HydrophobicContact CG2-CZ2 4.18Å; V203-W214 PolarHBondContact O-NE1 3.17Å; E206-W214 HydrophobicContact CB-CZ2 4.14Å; E206-W214 VanDerWaalsContact OE2-CZ2 3.23Å; E206-W214 WeakPolarHBondContact OE2-CZ2 3.48Å; I212-W214 HydrophobicContact CB-CZ2 4.48Å; I212-W214 HydrophobicContact CD1-CH2 4.46Å; I212-W214 HydrophobicContact CD1-CZ2 4.03Å; I212-W214 HydrophobicContact CG2-CD2 3.79Å; I212-W214 HydrophobicContact CG2-CE3 4.24Å; I212-W214 HydrophobicContact CG2-CG 4.18Å; I212-W214 HydrophobicContact CG2-CH2 4.39Å; I212-W214 HydrophobicContact CG2-CZ2 3.96Å; I212-W214 PolarHBondContact O-N 2.99Å; W214-K218 HydrophobicContact CE3-CB 3.78Å; W214-K218 HydrophobicContact CZ3-CB 4.07Å; W214-R222 HydrophobicContact CZ3-CB 4.3Å; W214-I270 CarbonylContact O-C 3.34Å; W214-I270 WeakPolarHBondContact O-CA 3.43Å; W214-D271 PolarHBondContact O-N 3.12Å
215	T	98.8	Very high	98.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.242	C	C	.	.			trans	-127.8	164.3	173.2	72.5	0	0	0	0	108.4	S217 K218 L219 D271 E274 D275	T215-S217 VanDerWaalsContact C-N 3.27Å; T215-S217 PolarHBondContact O-N 3.28Å; T215-S217 PolarHBondContact OG1-OG 3.35Å; T215-K218 HydrophobicContact CG2-CD 4.25Å; T215-K218 PolarHBondContact O-N 3.42Å; T215-K218 WeakPolarHBondContact OG1-CG 3.36Å; T215-K218 PolarHBondContact OG1-N 3.18Å; T215-L219 PolarHBondContact O-N 3.36Å; T215-D271 WeakPolarHBondContact CA-O 3.4Å; T215-D271 WeakPolarHBondContact CB-O 3.46Å; T215-D271 WeakPolarHBondContact CG2-O 3.31Å; T215-E274 HydrophobicContact CG2-CB 3.67Å; T215-E274 HydrophobicContact CG2-CG 3.91Å; T215-D275 WeakPolarHBondContact CB-OD1 3.43Å; T215-D275 PolarHBondContact OG1-OD1 3.03Å
216	P	98.8	Very high	98.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-51.8	-46.5	174.8	-26.6	33.3	0	0	0	112.8	K218 L219 I220 C246 L249 I270 D271 L272 D275	P216-K218 PolarHBondContact O-N 3.2Å; P216-L219 PolarHBondContact O-N 3.04Å; P216-I220 WeakPolarHBondContact O-CB 3.24Å; P216-I220 WeakPolarHBondContact O-CD1 3.5Å; P216-I220 WeakPolarHBondContact O-CG1 3.45Å; P216-I220 PolarHBondContact O-N 3.11Å; P216-C246 HydrophobicContact CB-CB 4.44Å; P216-C246 WeakPolarHBondContact CB-O 3.35Å; P216-L249 HydrophobicContact CB-CB 4.13Å; P216-L249 HydrophobicContact CB-CD2 3.77Å; P216-L249 HydrophobicContact CB-CG 4.39Å; P216-L249 HydrophobicContact CG-CB 4.23Å; P216-L249 HydrophobicContact CG-CD2 4.15Å; P216-I270 HydrophobicContact CG-CG2 3.98Å; P216-D271 WeakPolarHBondContact CD-O 3.47Å; P216-L272 HydrophobicContact CG-CD2 3.43Å; P216-L272 VanDerWaalsContact CG-CD2 3.43Å; P216-D275 WeakPolarHBondContact CB-OD2 3.49Å; P216-D275 VanDerWaalsContact CD-OD2 3.28Å; P216-D275 WeakPolarHBondContact CD-OD2 3.23Å
217	S	98.8	Very high	98.5	Very high	11 Å²	11	45.6 Å²	45.6	8%	0.077	23%	0.234	C	C	.	.	H	α-helix	trans	-65	-39.4	-179	73.1	0	0	0	0	113.5	T215 N221 V244 D275	T215-S217 VanDerWaalsContact C-N 3.27Å; T215-S217 PolarHBondContact O-N 3.28Å; T215-S217 PolarHBondContact OG1-OG 3.35Å; S217-N221 VanDerWaalsContact O-CB 3.27Å; S217-N221 WeakPolarHBondContact O-CB 3.4Å; S217-N221 PolarHBondContact O-N 3.35Å; S217-V244 WeakPolarHBondContact CA-O 3.42Å; S217-V244 WeakPolarHBondContact CB-O 3.34Å; S217-D275 WeakPolarHBondContact CB-OD1 3.48Å; S217-D275 WeakPolarHBondContact CB-OD2 3.49Å; S217-D275 PolarHBondContact N-OD2 2.69Å; S217-D275 PolarHBondContact OG-OD1 3.12Å; S217-D275 PolarHBondContact OG-OD2 2.81Å
218	K	98.8	Very high	98.5	Very high	65 Å²	65	49.9 Å²	49.9	28%	0.283	26%	0.257	S	S	.	.	H	α-helix	trans	-65.4	-42.8	174.6	-69.7	176.8	-171.3	170.4	0	111.6	N213 W214 T215 P216 N221 R222 E274	N213-K218 WeakPolarHBondContact O-CD 3.41Å; N213-K218 PolarHBondContact O-NZ 2.96Å; W214-K218 HydrophobicContact CE3-CB 3.78Å; W214-K218 HydrophobicContact CZ3-CB 4.07Å; T215-K218 HydrophobicContact CG2-CD 4.25Å; T215-K218 PolarHBondContact O-N 3.42Å; T215-K218 WeakPolarHBondContact OG1-CG 3.36Å; T215-K218 PolarHBondContact OG1-N 3.18Å; P216-K218 PolarHBondContact O-N 3.2Å; K218-N221 PolarHBondContact O-N 2.96Å; K218-R222 WeakPolarHBondContact O-CB 3.26Å; K218-R222 PolarHBondContact O-N 3.24Å; K218-E274 WeakPolarHBondContact CE-OE1 3.42Å; K218-E274 IonicContact NZ-OE1 2.81Å; K218-E274 PolarHBondContact NZ-OE1 3.44Å; K218-E274 IonicContact NZ-OE2 3.42Å; K218-E274 PolarHBondContact NZ-OE2 2.91Å; K218-E274 VanDerWaalsContact NZ-OE2 3.1Å
219	L	98.8	Very high	98.5	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-64.9	-47.5	177.9	-178.1	60.3	0	0	0	110.7	L200 V203 T215 P216 N221 R222 L223 L249 I270	L200-L219 HydrophobicContact CD2-CD1 4.45Å; V203-L219 HydrophobicContact CG1-CD1 4.33Å; V203-L219 HydrophobicContact CG2-CD1 4.14Å; T215-L219 PolarHBondContact O-N 3.36Å; P216-L219 PolarHBondContact O-N 3.04Å; L219-N221 VanDerWaalsContact C-N 3.28Å; L219-N221 PolarHBondContact O-N 3.39Å; L219-R222 CarbonylContact O-C 3.6Å; L219-R222 WeakPolarHBondContact O-CA 3.47Å; L219-R222 WeakPolarHBondContact O-CB 3.49Å; L219-R222 PolarHBondContact O-N 3.15Å; L219-R222 VanDerWaalsContact O-N 3.09Å; L219-L223 HydrophobicContact CD1-CD1 4.48Å; L219-L223 HydrophobicContact CD1-CD2 4.44Å; L219-L223 HydrophobicContact CD1-CG 4.22Å; L219-L223 HydrophobicContact CG-CD1 4.18Å; L219-L223 HydrophobicContact CG-CG 4.32Å; L219-L223 VanDerWaalsContact O-CG 3.3Å; L219-L223 WeakPolarHBondContact O-CG 3.24Å; L219-L223 PolarHBondContact O-N 3.45Å; L219-L249 HydrophobicContact CD2-CD2 3.95Å; L219-I270 HydrophobicContact CD2-CD1 3.8Å
220	I	98.9	Very high	98.5	Very high	1 Å²	1	50 Å²	50	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-60.5	-40.4	177.7	-64.2	161.8	0	0	0	110.9	V147 P216 L223 G224 Y234 V244 C246 L249	V147-I220 HydrophobicContact CG1-CD1 4.31Å; V147-I220 HydrophobicContact CG1-CG1 3.83Å; V147-I220 HydrophobicContact CG1-CG2 4.45Å; V147-I220 HydrophobicContact CG2-CD1 3.7Å; V147-I220 HydrophobicContact CG2-CG1 4.16Å; P216-I220 WeakPolarHBondContact O-CB 3.24Å; P216-I220 WeakPolarHBondContact O-CD1 3.5Å; P216-I220 WeakPolarHBondContact O-CG1 3.45Å; P216-I220 PolarHBondContact O-N 3.11Å; I220-L223 PolarHBondContact O-N 2.83Å; I220-G224 PolarHBondContact O-N 2.91Å; I220-Y234 HydrophobicContact CG2-CD1 3.85Å; I220-Y234 HydrophobicContact CG2-CE1 4.37Å; I220-Y234 HydrophobicContact CG2-CG 3.98Å; I220-V244 HydrophobicContact CB-CB 4.38Å; I220-V244 HydrophobicContact CD1-CB 4.28Å; I220-V244 HydrophobicContact CD1-CG1 3.96Å; I220-V244 HydrophobicContact CG2-CB 3.77Å; I220-V244 HydrophobicContact CG2-CG1 3.96Å; I220-V244 HydrophobicContact CG2-CG2 4.08Å; I220-C246 HydrophobicContact CD1-CB 3.7Å; I220-L249 HydrophobicContact CD1-CD1 4.34Å; I220-L249 HydrophobicContact CG1-CD1 4.4Å
221	N	98.8	Very high	98.6	Very high	38 Å²	38	47.8 Å²	47.8	20%	0.203	23%	0.234	C	C	.	.	H	α-helix	trans	-62	-42.7	174.9	-170.5	-96.2	0	0	0	112	S217 K218 L219 G224 K225	S217-N221 VanDerWaalsContact O-CB 3.27Å; S217-N221 WeakPolarHBondContact O-CB 3.4Å; S217-N221 PolarHBondContact O-N 3.35Å; K218-N221 PolarHBondContact O-N 2.96Å; L219-N221 VanDerWaalsContact C-N 3.28Å; L219-N221 PolarHBondContact O-N 3.39Å; N221-G224 PolarHBondContact O-N 3.27Å; N221-K225 PolarHBondContact O-N 2.89Å; N221-K225 VanDerWaalsContact O-N 3.13Å
222	R	98.7	Very high	98.7	Very high	23 Å²	23	40.7 Å²	40.7	9%	0.087	20%	0.196	C	C	.	.	H	α-helix	trans	-60.5	-48.9	173.4	175.4	63.2	-171	-98.8	5	111.3	I199 E202 V203 E206 W214 K218 L219 G224 K225 E226	I199-R222 HydrophobicContact CG2-CG 4.47Å; E202-R222 IonicContact OE2-CZ 2.77Å; E202-R222 IonicContact OE2-NH2 2.72Å; E202-R222 PolarHBondContact OE2-NH2 2.98Å; V203-R222 HydrophobicContact CG2-CG 4.2Å; E206-R222 IonicContact OE1-CZ 3.73Å; E206-R222 IonicContact OE1-NH1 3.69Å; E206-R222 PolarHBondContact OE1-NH1 2.92Å; E206-R222 IonicContact OE2-NH1 3.97Å; E206-R222 PolarHBondContact OE2-NH1 3.48Å; W214-R222 HydrophobicContact CZ3-CB 4.3Å; K218-R222 WeakPolarHBondContact O-CB 3.26Å; K218-R222 PolarHBondContact O-N 3.24Å; L219-R222 CarbonylContact O-C 3.6Å; L219-R222 WeakPolarHBondContact O-CA 3.47Å; L219-R222 WeakPolarHBondContact O-CB 3.49Å; L219-R222 PolarHBondContact O-N 3.15Å; L219-R222 VanDerWaalsContact O-N 3.09Å; R222-G224 VanDerWaalsContact C-N 3.32Å; R222-G224 PolarHBondContact O-N 2.76Å; R222-K225 WeakPolarHBondContact O-CA 3.2Å; R222-K225 VanDerWaalsContact O-CB 3.3Å; R222-K225 WeakPolarHBondContact O-CB 3.3Å; R222-K225 PolarHBondContact O-N 3.3Å; R222-E226 IonicContact CZ-OE1 2.71Å; R222-E226 VanDerWaalsContact CZ-OE1 3.23Å; R222-E226 IonicContact NE-OE1 3.55Å; R222-E226 PolarHBondContact NE-OE1 2.72Å; R222-E226 IonicContact NH2-OE1 3.53Å; R222-E226 PolarHBondContact NH2-OE1 3.37Å; R222-E226 WeakPolarHBondContact O-CG 3.49Å; R222-E226 PolarHBondContact O-N 2.85Å
223	L	98.9	Very high	98.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.3	-37	179.2	-64.8	-177.9	0	0	0	112.3	F151 W195 L196 I199 L219 I220 K225 E226 I227 L254	F151-L223 HydrophobicContact CD2-CB 4.46Å; F151-L223 HydrophobicContact CD2-CD1 4.43Å; F151-L223 HydrophobicContact CE1-CB 3.96Å; F151-L223 HydrophobicContact CE2-CB 3.61Å; F151-L223 HydrophobicContact CE2-CD1 3.86Å; F151-L223 HydrophobicContact CE2-CG 4.4Å; F151-L223 HydrophobicContact CZ-CB 3.32Å; F151-L223 HydrophobicContact CZ-CD1 4.45Å; W195-L223 HydrophobicContact CH2-CB 4.1Å; W195-L223 HydrophobicContact CH2-CD2 3.92Å; W195-L223 HydrophobicContact CH2-CG 4.48Å; W195-L223 HydrophobicContact CZ3-CD2 4.24Å; L196-L223 HydrophobicContact CD1-CD1 4.2Å; L196-L223 HydrophobicContact CD1-CD2 3.49Å; L196-L223 VanDerWaalsContact CD1-CD2 3.49Å; I199-L223 HydrophobicContact CD1-CD2 4.27Å; I199-L223 HydrophobicContact CG2-CD2 3.89Å; L219-L223 HydrophobicContact CD1-CD1 4.48Å; L219-L223 HydrophobicContact CD1-CD2 4.44Å; L219-L223 HydrophobicContact CD1-CG 4.22Å; L219-L223 HydrophobicContact CG-CD1 4.18Å; L219-L223 HydrophobicContact CG-CG 4.32Å; L219-L223 VanDerWaalsContact O-CG 3.3Å; L219-L223 WeakPolarHBondContact O-CG 3.24Å; L219-L223 PolarHBondContact O-N 3.45Å; I220-L223 PolarHBondContact O-N 2.83Å; L223-K225 VanDerWaalsContact C-N 3.3Å; L223-K225 PolarHBondContact O-N 2.8Å; L223-E226 PolarHBondContact O-N 3.42Å; L223-I227 PolarHBondContact O-N 3.42Å; L223-L254 HydrophobicContact CD1-CD1 3.85Å
224	G	98.8	Very high	98.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.9	-36.9	171.3	0	0	0	0	0	113.3	I220 N221 R222 Y234 Y235	I220-G224 PolarHBondContact O-N 2.91Å; N221-G224 PolarHBondContact O-N 3.27Å; R222-G224 VanDerWaalsContact C-N 3.32Å; R222-G224 PolarHBondContact O-N 2.76Å; G224-Y234 WeakPolarHBondContact CA-O 3.03Å; G224-Y235 WeakPolarHBondContact O-CA 3.46Å
225	K	98.8	Very high	98.8	Very high	101 Å²	101	35.8 Å²	35.8	44%	0.439	17%	0.17	S	C	.	.	H	α-helix	trans	-66.8	-47.5	171.5	-179.4	-170.4	172.9	-157.6	0	111.5	N221 R222 L223 N228 Y238	N221-K225 PolarHBondContact O-N 2.89Å; N221-K225 VanDerWaalsContact O-N 3.13Å; R222-K225 WeakPolarHBondContact O-CA 3.2Å; R222-K225 VanDerWaalsContact O-CB 3.3Å; R222-K225 WeakPolarHBondContact O-CB 3.3Å; R222-K225 PolarHBondContact O-N 3.3Å; L223-K225 VanDerWaalsContact C-N 3.3Å; L223-K225 PolarHBondContact O-N 2.8Å; K225-N228 PolarHBondContact O-N 3.01Å; K225-Y238 HydrophobicContact CB-CD1 3.88Å; K225-Y238 HydrophobicContact CB-CD2 3.91Å; K225-Y238 HydrophobicContact CB-CE1 3.76Å; K225-Y238 HydrophobicContact CB-CE2 3.81Å; K225-Y238 HydrophobicContact CB-CG 3.95Å; K225-Y238 HydrophobicContact CD-CE2 4.18Å; K225-Y238 HydrophobicContact CG-CD1 4.34Å; K225-Y238 HydrophobicContact CG-CE1 3.73Å; K225-Y238 HydrophobicContact CG-CE2 4.09Å
226	E	98.8	Very high	98.8	Very high	61 Å²	61	37.6 Å²	37.6	29%	0.285	18%	0.177	S	C	.	.	H	α-helix	trans	-70.3	-34.5	-173.8	-64.8	-53.4	152	0	0	113.8	W195 I199 R222 L223 N228	W195-E226 HydrophobicContact CZ2-CB 4.07Å; I199-E226 HydrophobicContact CD1-CB 3.66Å; I199-E226 HydrophobicContact CD1-CG 3.94Å; I199-E226 HydrophobicContact CG1-CB 4.37Å; I199-E226 HydrophobicContact CG1-CG 4.15Å; I199-E226 HydrophobicContact CG2-CG 4.03Å; R222-E226 IonicContact CZ-OE1 2.71Å; R222-E226 VanDerWaalsContact CZ-OE1 3.23Å; R222-E226 IonicContact NE-OE1 3.55Å; R222-E226 PolarHBondContact NE-OE1 2.72Å; R222-E226 IonicContact NH2-OE1 3.53Å; R222-E226 PolarHBondContact NH2-OE1 3.37Å; R222-E226 WeakPolarHBondContact O-CG 3.49Å; R222-E226 PolarHBondContact O-N 2.85Å; L223-E226 PolarHBondContact O-N 3.42Å; E226-N228 PolarHBondContact O-N 3.33Å
227	I	98.7	Very high	98.8	Very high	19 Å²	19	37.7 Å²	37.7	10%	0.097	18%	0.177	C	C	.	.	H	α-helix	trans	-65.3	-30.4	179.6	-163.2	66.6	0	0	0	111.4	F151 C154 L155 W195 L223 H229	F151-I227 HydrophobicContact CB-CD1 4.49Å; F151-I227 HydrophobicContact CD1-CB 3.79Å; F151-I227 HydrophobicContact CD1-CD1 4.34Å; F151-I227 HydrophobicContact CD1-CG1 3.95Å; F151-I227 HydrophobicContact CD1-CG2 3.92Å; F151-I227 HydrophobicContact CE1-CB 4.1Å; F151-I227 HydrophobicContact CE1-CG2 3.86Å; C154-I227 HydrophobicContact CB-CD1 3.95Å; C154-I227 HydrophobicContact CB-CG1 3.86Å; L155-I227 HydrophobicContact CD2-CD1 4.23Å; W195-I227 HydrophobicContact CD2-CD1 4.4Å; W195-I227 HydrophobicContact CH2-CB 4.37Å; W195-I227 HydrophobicContact CH2-CD1 4.24Å; W195-I227 HydrophobicContact CZ2-CB 3.85Å; W195-I227 HydrophobicContact CZ2-CD1 3.71Å; W195-I227 HydrophobicContact CZ2-CG1 4.39Å; L223-I227 PolarHBondContact O-N 3.42Å; I227-H229 HydrophobicContact CG1-CB 4.16Å; I227-H229 PolarHBondContact O-N 3.3Å
228	N	98.4	Very high	98.8	Very high	114 Å²	114	40.7 Å²	40.7	61%	0.61	19%	0.188	S	C	*	.			trans	44.1	39.1	175.2	-168.2	35.8	0	0	0	114.3	K225 E226 Y235	K225-N228 PolarHBondContact O-N 3.01Å; E226-N228 PolarHBondContact O-N 3.33Å; N228-Y235 WeakPolarHBondContact OD1-CE2 3.47Å
229	H	98.6	Very high	98.8	Very high	71 Å²	71	42.7 Å²	42.7	33%	0.329	20%	0.196	S	C	.	.			trans	-124.1	124.2	-173.2	-162.4	-81	0	0	0	110.6	C154 I227 D231 S232 Y235	C154-H229 HydrophobicContact CB-CB 4.11Å; I227-H229 HydrophobicContact CG1-CB 4.16Å; I227-H229 PolarHBondContact O-N 3.3Å; H229-D231 IonicContact CE1-OD2 3.07Å; H229-D231 PolarHBondContact CE1-OD2 3.39Å; H229-D231 VanDerWaalsContact CE1-OD2 3.25Å; H229-D231 WeakPolarHBondContact ND1-CB 3.4Å; H229-D231 PolarHBondContact ND1-N 3.44Å; H229-D231 IonicContact ND1-OD2 3.51Å; H229-D231 PolarHBondContact O-N 3.08Å; H229-D231 VanDerWaalsContact O-N 3.15Å; H229-S232 WeakPolarHBondContact O-CB 3.37Å; H229-S232 PolarHBondContact O-N 3.05Å; H229-Y235 WeakPolarHBondContact O-CB 3.16Å
230	K	98.7	Very high	98.8	Very high	138 Å²	138	44.5 Å²	44.5	60%	0.6	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.3	-175.1	-70.2	-173.4	177.6	-176.3	0	114.2	S232 Y235 W236	K230-S232 VanDerWaalsContact C-N 3.28Å; K230-Y235 HydrophobicContact CG-CE1 4.06Å; K230-W236 HydrophobicContact CB-CZ2 4.26Å; K230-W236 HydrophobicContact CD-CZ2 4.44Å; K230-W236 HydrophobicContact CG-CZ2 4.16Å; K230-W236 PolarHBondContact O-NE1 3.44Å
231	D	98.7	Very high	98.7	Very high	83 Å²	83	49 Å²	49	44%	0.444	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-7.9	176.5	-59.2	-18.5	0	0	0	112.9	R125 H229	R125-D231 VanDerWaalsContact CZ-O 3.24Å; R125-D231 PolarHBondContact NH2-O 2.84Å; H229-D231 IonicContact CE1-OD2 3.07Å; H229-D231 PolarHBondContact CE1-OD2 3.39Å; H229-D231 VanDerWaalsContact CE1-OD2 3.25Å; H229-D231 WeakPolarHBondContact ND1-CB 3.4Å; H229-D231 PolarHBondContact ND1-N 3.44Å; H229-D231 IonicContact ND1-OD2 3.51Å; H229-D231 PolarHBondContact O-N 3.08Å; H229-D231 VanDerWaalsContact O-N 3.15Å
232	S	98.9	Very high	98.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.216	C	C	.	.			trans	-80.5	132.4	177.5	166.5	0	0	0	0	111.5	D150 H229 K230 Y234 Y235	D150-S232 WeakPolarHBondContact OD1-CA 3.28Å; D150-S232 WeakPolarHBondContact OD2-CA 3.46Å; D150-S232 WeakPolarHBondContact OD2-CB 3.43Å; D150-S232 PolarHBondContact OD2-OG 3.46Å; H229-S232 WeakPolarHBondContact O-CB 3.37Å; H229-S232 PolarHBondContact O-N 3.05Å; K230-S232 VanDerWaalsContact C-N 3.28Å; S232-Y234 VanDerWaalsContact C-N 3.28Å; S232-Y234 PolarHBondContact O-N 3.47Å; S232-Y234 PolarHBondContact OG-N 2.7Å; S232-Y235 PolarHBondContact OG-N 3.13Å
233	I	98.9	Very high	98.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-55.3	-48.6	167	-62.4	163.6	0	0	0	109.4	V120 R125 I128 R129 A132 I140 D150 Y235 W236 C237	V120-I233 HydrophobicContact CG1-CD1 4.46Å; V120-I233 HydrophobicContact CG2-CD1 4.06Å; R125-I233 HydrophobicContact CG-CD1 3.85Å; R125-I233 HydrophobicContact CG-CG1 4.27Å; I128-I233 HydrophobicContact CB-CD1 3.99Å; I128-I233 HydrophobicContact CB-CG1 4.4Å; I128-I233 HydrophobicContact CG2-CD1 3.66Å; I128-I233 HydrophobicContact CG2-CG1 4.02Å; I128-I233 HydrophobicContact CG2-CG2 3.93Å; R129-I233 HydrophobicContact CB-CG1 3.81Å; A132-I233 HydrophobicContact CB-CG2 4.26Å; I140-I233 HydrophobicContact CD1-CG2 4.19Å; D150-I233 VanDerWaalsContact CG-N 3.33Å; D150-I233 PolarHBondContact OD1-N 3.38Å; D150-I233 PolarHBondContact OD2-N 3.25Å; I233-Y235 PolarHBondContact O-N 2.74Å; I233-W236 PolarHBondContact O-N 3.38Å; I233-W236 VanDerWaalsContact O-N 3.09Å; I233-C237 PolarHBondContact O-N 3.24Å; I233-C237 PolarHBondContact O-SG 3.29Å; I233-C237 VanDerWaalsContact O-SG 3.35Å
234	Y	98.9	Very high	98.8	Very high	1 Å²	1	46.6 Å²	46.6	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-76.6	-24.6	-170.3	-54.7	-51.7	0	0	0	114	Y115 G146 V147 D150 F151 I220 G224 S232 W236 C237 Y238 V244	Y115-Y234 PolarHBondContact OH-OH 3.42Å; G146-Y234 VanDerWaalsContact C-OH 3.28Å; G146-Y234 WeakPolarHBondContact O-CE2 3.2Å; G146-Y234 PolarHBondContact O-OH 2.89Å; V147-Y234 VanDerWaalsContact CA-CE2 3.47Å; V147-Y234 HydrophobicContact CB-CE2 4.35Å; V147-Y234 HydrophobicContact CG1-CE2 4.35Å; V147-Y234 VanDerWaalsContact O-CE2 3.28Å; V147-Y234 WeakPolarHBondContact O-CE2 3.5Å; D150-Y234 HydrophobicContact CB-CD2 3.7Å; D150-Y234 HydrophobicContact CB-CE2 3.41Å; D150-Y234 VanDerWaalsContact CB-CE2 3.41Å; D150-Y234 WeakPolarHBondContact OD2-CD2 3.3Å; D150-Y234 PolarHBondContact OD2-N 2.95Å; F151-Y234 HydrophobicContact CD2-CD2 4.45Å; F151-Y234 HydrophobicContact CE1-CD2 4Å; F151-Y234 HydrophobicContact CE1-CG 4.35Å; F151-Y234 AromaticContact CE2-CD2 3.87Å; F151-Y234 HydrophobicContact CE2-CD2 3.87Å; F151-Y234 AromaticContact CZ-CD2 3.6Å; F151-Y234 HydrophobicContact CZ-CD2 3.6Å; F151-Y234 AromaticContact CZ-CG 3.92Å; F151-Y234 HydrophobicContact CZ-CG 3.92Å; I220-Y234 HydrophobicContact CG2-CD1 3.85Å; I220-Y234 HydrophobicContact CG2-CE1 4.37Å; I220-Y234 HydrophobicContact CG2-CG 3.98Å; G224-Y234 WeakPolarHBondContact CA-O 3.03Å; S232-Y234 VanDerWaalsContact C-N 3.28Å; S232-Y234 PolarHBondContact O-N 3.47Å; S232-Y234 PolarHBondContact OG-N 2.7Å; Y234-W236 VanDerWaalsContact C-N 3.32Å; Y234-C237 PolarHBondContact O-N 3.27Å; Y234-Y238 WeakPolarHBondContact O-CB 3.22Å; Y234-Y238 PolarHBondContact O-N 3.43Å; Y234-V244 HydrophobicContact CD1-CG1 4.25Å; Y234-V244 HydrophobicContact CD1-CG2 3.82Å; Y234-V244 HydrophobicContact CE1-CB 4.48Å; Y234-V244 HydrophobicContact CE1-CG1 3.74Å; Y234-V244 HydrophobicContact CE1-CG2 4.03Å
235	Y	98.9	Very high	98.8	Very high	24 Å²	24	46.7 Å²	46.7	9%	0.094	22%	0.215	C	C	.	.	H	α-helix	trans	-56.1	-48.4	163.6	172.1	-98.8	0	0	0	111.5	G224 N228 H229 K230 S232 I233 Y238 K239	G224-Y235 WeakPolarHBondContact O-CA 3.46Å; N228-Y235 WeakPolarHBondContact OD1-CE2 3.47Å; H229-Y235 WeakPolarHBondContact O-CB 3.16Å; K230-Y235 HydrophobicContact CG-CE1 4.06Å; S232-Y235 PolarHBondContact OG-N 3.13Å; I233-Y235 PolarHBondContact O-N 2.74Å; Y235-Y238 WeakPolarHBondContact O-CB 3.44Å; Y235-Y238 PolarHBondContact O-N 2.95Å; Y235-K239 HydrophobicContact CD1-CG 4.45Å; Y235-K239 HydrophobicContact CE1-CG 4.03Å; Y235-K239 HydrophobicContact CE2-CG 4.31Å; Y235-K239 WeakPolarHBondContact O-CG 3.41Å; Y235-K239 PolarHBondContact O-N 2.96Å; Y235-K239 VanDerWaalsContact OH-CE 3.29Å; Y235-K239 WeakPolarHBondContact OH-CE 3.39Å
236	W	98.9	Very high	98.8	Very high	37 Å²	37	41.9 Å²	41.9	14%	0.14	19%	0.194	C	C	.	.	H	α-helix	trans	-70.6	-36.3	178.4	-71.1	113	0	0	0	112.9	A132 E133 K230 I233 Y234 Y238 K239 N240	A132-W236 HydrophobicContact CB-CB 4.1Å; E133-W236 HydrophobicContact CB-CB 4.32Å; E133-W236 HydrophobicContact CB-CD2 3.7Å; E133-W236 HydrophobicContact CB-CE3 4.28Å; E133-W236 HydrophobicContact CB-CG 3.69Å; E133-W236 VanDerWaalsContact CD-CZ2 3.49Å; E133-W236 HydrophobicContact CG-CD2 3.69Å; E133-W236 HydrophobicContact CG-CE3 4.01Å; E133-W236 HydrophobicContact CG-CG 4.24Å; E133-W236 HydrophobicContact CG-CH2 4Å; E133-W236 HydrophobicContact CG-CZ2 3.69Å; E133-W236 HydrophobicContact CG-CZ3 4.16Å; E133-W236 VanDerWaalsContact OE1-CZ2 3.3Å; E133-W236 WeakPolarHBondContact OE1-CZ2 3.46Å; K230-W236 HydrophobicContact CB-CZ2 4.26Å; K230-W236 HydrophobicContact CD-CZ2 4.44Å; K230-W236 HydrophobicContact CG-CZ2 4.16Å; K230-W236 PolarHBondContact O-NE1 3.44Å; I233-W236 PolarHBondContact O-N 3.38Å; I233-W236 VanDerWaalsContact O-N 3.09Å; Y234-W236 VanDerWaalsContact C-N 3.32Å; W236-Y238 VanDerWaalsContact C-N 3.3Å; W236-Y238 PolarHBondContact O-N 3.2Å; W236-K239 HydrophobicContact CE3-CB 4.25Å; W236-K239 HydrophobicContact CE3-CG 4.5Å; W236-K239 PolarHBondContact O-N 3.03Å; W236-N240 WeakPolarHBondContact O-CB 3.49Å; W236-N240 PolarHBondContact O-N 3.03Å
237	C	98.9	Very high	98.6	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.014	19%	0.189	C	C	.	.	H	α-helix	trans	-59.5	-42.6	171.9	-65.9	0	0	0	0	111.8	I140 I233 Y234 K241 I242 V244	I140-C237 VanDerWaalsContact CD1-SG 3.57Å; I233-C237 PolarHBondContact O-N 3.24Å; I233-C237 PolarHBondContact O-SG 3.29Å; I233-C237 VanDerWaalsContact O-SG 3.35Å; Y234-C237 PolarHBondContact O-N 3.27Å; C237-K241 CarbonylContact O-C 3.6Å; C237-K241 WeakPolarHBondContact O-CA 3.11Å; C237-K241 PolarHBondContact O-N 2.86Å; C237-I242 HydrophobicContact CB-CB 4.11Å; C237-I242 WeakPolarHBondContact CB-O 3.38Å; C237-I242 PolarHBondContact O-N 2.74Å; C237-V244 HydrophobicContact CB-CG2 3.89Å
238	Y	98.8	Very high	98.5	Very high	75 Å²	75	40.3 Å²	40.3	29%	0.294	19%	0.194	S	C	.	.	H	α-helix	trans	-59.9	-51.1	173.1	165.2	-107.4	0	0	0	111.5	K225 Y234 Y235 W236 N240 K241	K225-Y238 HydrophobicContact CB-CD1 3.88Å; K225-Y238 HydrophobicContact CB-CD2 3.91Å; K225-Y238 HydrophobicContact CB-CE1 3.76Å; K225-Y238 HydrophobicContact CB-CE2 3.81Å; K225-Y238 HydrophobicContact CB-CG 3.95Å; K225-Y238 HydrophobicContact CD-CE2 4.18Å; K225-Y238 HydrophobicContact CG-CD1 4.34Å; K225-Y238 HydrophobicContact CG-CE1 3.73Å; K225-Y238 HydrophobicContact CG-CE2 4.09Å; Y234-Y238 WeakPolarHBondContact O-CB 3.22Å; Y234-Y238 PolarHBondContact O-N 3.43Å; Y235-Y238 WeakPolarHBondContact O-CB 3.44Å; Y235-Y238 PolarHBondContact O-N 2.95Å; W236-Y238 VanDerWaalsContact C-N 3.3Å; W236-Y238 PolarHBondContact O-N 3.2Å; Y238-N240 PolarHBondContact O-N 3.46Å; Y238-K241 PolarHBondContact O-N 3.37Å
239	K	98.7	Very high	98.5	Very high	106 Å²	106	35 Å²	35	46%	0.461	17%	0.166	S	C	.	.	H	α-helix	trans	-61.1	-41.1	-179.4	-71	-64.9	-174.8	-178.2	0	113.2	Y235 W236	Y235-K239 HydrophobicContact CD1-CG 4.45Å; Y235-K239 HydrophobicContact CE1-CG 4.03Å; Y235-K239 HydrophobicContact CE2-CG 4.31Å; Y235-K239 WeakPolarHBondContact O-CG 3.41Å; Y235-K239 PolarHBondContact O-N 2.96Å; Y235-K239 VanDerWaalsContact OH-CE 3.29Å; Y235-K239 WeakPolarHBondContact OH-CE 3.39Å; W236-K239 HydrophobicContact CE3-CB 4.25Å; W236-K239 HydrophobicContact CE3-CG 4.5Å; W236-K239 PolarHBondContact O-N 3.03Å
240	N	98.6	Very high	98.5	Very high	40 Å²	40	36.7 Å²	36.7	21%	0.214	18%	0.181	C	C	.	.	H	α-helix	trans	-93.4	5	-177.1	-70.7	-24	0	0	0	113.3	R104 A132 E133 N135 W236 Y238 I242	R104-N240 PolarHBondContact NH1-O 3.07Å; A132-N240 PolarHBondContact O-ND2 2.87Å; E133-N240 PolarHBondContact O-ND2 2.86Å; N135-N240 HydrophobicContact CB-CB 4.49Å; W236-N240 WeakPolarHBondContact O-CB 3.49Å; W236-N240 PolarHBondContact O-N 3.03Å; Y238-N240 PolarHBondContact O-N 3.46Å; N240-I242 VanDerWaalsContact C-N 3.27Å; N240-I242 HydrophobicContact CB-CD1 4.03Å; N240-I242 HydrophobicContact CB-CG1 4.09Å; N240-I242 PolarHBondContact O-N 3.34Å
241	K	98.5	Very high	98.5	Very high	97 Å²	97	36.4 Å²	36.4	42%	0.422	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	38.3	-179.4	-56.1	174.5	167.6	-166.9	0	113.4	L102 R104 C237 Y238 P243	L102-K241 HydrophobicContact CB-CB 3.95Å; L102-K241 HydrophobicContact CD1-CB 4.34Å; L102-K241 WeakPolarHBondContact CD1-O 3.36Å; L102-K241 WeakPolarHBondContact O-CD 3.18Å; R104-K241 HydrophobicContact CB-CB 4.31Å; R104-K241 WeakPolarHBondContact CD-O 3.44Å; C237-K241 CarbonylContact O-C 3.6Å; C237-K241 WeakPolarHBondContact O-CA 3.11Å; C237-K241 PolarHBondContact O-N 2.86Å; Y238-K241 PolarHBondContact O-N 3.37Å; K241-P243 WeakPolarHBondContact O-CD 3.37Å
242	I	98.8	Very high	98.4	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.176	C	C	.	.			trans	-88.8	113.4	174.7	-59	170	0	0	0	107.5	A132 V137 I140 C237 N240	A132-I242 HydrophobicContact CB-CD1 4.41Å; V137-I242 HydrophobicContact CG2-CD1 4.34Å; I140-I242 HydrophobicContact CD1-CG2 4.39Å; I140-I242 HydrophobicContact CG1-CG2 4.06Å; C237-I242 HydrophobicContact CB-CB 4.11Å; C237-I242 WeakPolarHBondContact CB-O 3.38Å; C237-I242 PolarHBondContact O-N 2.74Å; N240-I242 VanDerWaalsContact C-N 3.27Å; N240-I242 HydrophobicContact CB-CD1 4.03Å; N240-I242 HydrophobicContact CB-CG1 4.09Å; N240-I242 PolarHBondContact O-N 3.34Å
243	P	98.7	Very high	98.4	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.026	18%	0.18	C	C	.	.			trans	-68.9	141.1	175.8	29	-33.7	0	0	0	110.6	P101 L102 D138 V139 I140 K241 F245 L282	P101-P243 HydrophobicContact CG-CB 4.26Å; P101-P243 HydrophobicContact CG-CG 4.43Å; L102-P243 HydrophobicContact CD1-CB 4.15Å; D138-P243 WeakPolarHBondContact O-CD 3.44Å; V139-P243 HydrophobicContact CG2-CG 4.42Å; I140-P243 PolarHBondContact N-O 3.33Å; K241-P243 WeakPolarHBondContact O-CD 3.37Å; P243-F245 HydrophobicContact CB-CE2 3.9Å; P243-F245 HydrophobicContact CB-CZ 4.09Å; P243-F245 HydrophobicContact CG-CE2 4.1Å; P243-L282 HydrophobicContact CG-CD1 3.8Å
244	V	98.9	Very high	98.3	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.03	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	116	178.9	-174.6	0	0	0	0	108.2	I140 T142 S217 I220 Y234 C237	I140-V244 HydrophobicContact CB-CG1 4.31Å; I140-V244 HydrophobicContact CB-CG2 4.24Å; I140-V244 HydrophobicContact CG2-CG1 3.96Å; I140-V244 CarbonylContact O-C 3.59Å; I140-V244 WeakPolarHBondContact O-CA 3.39Å; T142-V244 HydrophobicContact CG2-CG1 4.1Å; S217-V244 WeakPolarHBondContact CA-O 3.42Å; S217-V244 WeakPolarHBondContact CB-O 3.34Å; I220-V244 HydrophobicContact CB-CB 4.38Å; I220-V244 HydrophobicContact CD1-CB 4.28Å; I220-V244 HydrophobicContact CD1-CG1 3.96Å; I220-V244 HydrophobicContact CG2-CB 3.77Å; I220-V244 HydrophobicContact CG2-CG1 3.96Å; I220-V244 HydrophobicContact CG2-CG2 4.08Å; Y234-V244 HydrophobicContact CD1-CG1 4.25Å; Y234-V244 HydrophobicContact CD1-CG2 3.82Å; Y234-V244 HydrophobicContact CE1-CB 4.48Å; Y234-V244 HydrophobicContact CE1-CG1 3.74Å; Y234-V244 HydrophobicContact CE1-CG2 4.03Å; C237-V244 HydrophobicContact CB-CG2 3.89Å
245	F	98.9	Very high	98.3	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	132.9	178.2	-62	-80	0	0	0	110.5	V139 I140 V141 T142 P243 D275 N278 I279 L282	V139-F245 HydrophobicContact CG1-CD2 3.66Å; V139-F245 HydrophobicContact CG1-CE2 3.66Å; I140-F245 PolarHBondContact O-N 3.37Å; V141-F245 WeakPolarHBondContact CA-O 3.49Å; V141-F245 HydrophobicContact CG2-CB 4.37Å; T142-F245 PolarHBondContact N-O 3.39Å; P243-F245 HydrophobicContact CB-CE2 3.9Å; P243-F245 HydrophobicContact CB-CZ 4.09Å; P243-F245 HydrophobicContact CG-CE2 4.1Å; F245-D275 HydrophobicContact CD1-CB 4.05Å; F245-D275 HydrophobicContact CE1-CB 4.27Å; F245-D275 WeakPolarHBondContact CE1-O 3.35Å; F245-N278 HydrophobicContact CE1-CB 3.86Å; F245-N278 HydrophobicContact CZ-CB 3.99Å; F245-I279 HydrophobicContact CB-CD1 4.26Å; F245-I279 HydrophobicContact CD1-CB 4.09Å; F245-I279 HydrophobicContact CD2-CB 3.94Å; F245-I279 HydrophobicContact CD2-CD1 3.77Å; F245-I279 HydrophobicContact CD2-CG1 3.8Å; F245-I279 HydrophobicContact CE1-CB 3.93Å; F245-I279 HydrophobicContact CE2-CB 3.77Å; F245-I279 HydrophobicContact CE2-CD1 4.33Å; F245-I279 HydrophobicContact CE2-CG1 3.83Å; F245-I279 HydrophobicContact CG-CB 4.09Å; F245-I279 HydrophobicContact CG-CD1 4.03Å; F245-I279 HydrophobicContact CG-CG1 4.28Å; F245-I279 HydrophobicContact CZ-CB 3.76Å; F245-I279 HydrophobicContact CZ-CG1 4.34Å; F245-L282 HydrophobicContact CE2-CD1 3.64Å; F245-L282 HydrophobicContact CZ-CD1 3.78Å
246	C	98.8	Very high	98.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.208	C	C	.	.			trans	-138.3	88	177.4	-178.3	0	0	0	0	109.4	T142 A144 V147 P216 I220 G248 L249	T142-C246 WeakPolarHBondContact O-CA 3.22Å; T142-C246 PolarHBondContact O-SG 3.05Å; A144-C246 PolarHBondContact N-SG 2.84Å; V147-C246 HydrophobicContact CG2-CB 4.11Å; P216-C246 HydrophobicContact CB-CB 4.44Å; P216-C246 WeakPolarHBondContact CB-O 3.35Å; I220-C246 HydrophobicContact CD1-CB 3.7Å; C246-G248 PolarHBondContact O-N 2.86Å; C246-L249 HydrophobicContact CB-CB 4.49Å; C246-L249 HydrophobicContact CB-CD1 4.24Å; C246-L249 PolarHBondContact O-N 2.87Å; C246-L249 VanDerWaalsContact SG-CA 3.57Å
247	P	95.6	Very high	98.2	Very high	29 Å²	29	37.1 Å²	37.1	19%	0.188	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-23.5	-172.4	-11.7	24.5	0	0	0	112.8	L298 H302	P247-L298 HydrophobicContact CB-CD1 4.36Å; P247-L298 HydrophobicContact CB-CD2 3.94Å; P247-L298 HydrophobicContact CB-CG 4.31Å; P247-L298 HydrophobicContact CG-CD1 4.49Å; P247-L298 HydrophobicContact CG-CD2 4.16Å; P247-L298 HydrophobicContact CG-CG 4.17Å; P247-H302 HydrophobicContact CG-CB 4.15Å
248	G	97.1	Very high	98.2	Very high	18 Å²	18	38 Å²	38	19%	0.186	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	47.1	173.9	0	0	0	0	0	112.3	A144 C246 T250 D251	A144-G248 WeakPolarHBondContact CB-O 3.14Å; C246-G248 PolarHBondContact O-N 2.86Å; G248-T250 PolarHBondContact O-N 3.27Å; G248-D251 WeakPolarHBondContact O-CB 3.35Å; G248-D251 PolarHBondContact O-N 3.27Å
249	L	97.9	Very high	98.2	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-28.2	-174.8	-176	64.5	0	0	0	114.1	A144 P216 L219 I220 C246 D251 L254 I270	A144-L249 WeakPolarHBondContact CB-O 3.47Å; P216-L249 HydrophobicContact CB-CB 4.13Å; P216-L249 HydrophobicContact CB-CD2 3.77Å; P216-L249 HydrophobicContact CB-CG 4.39Å; P216-L249 HydrophobicContact CG-CB 4.23Å; P216-L249 HydrophobicContact CG-CD2 4.15Å; L219-L249 HydrophobicContact CD2-CD2 3.95Å; I220-L249 HydrophobicContact CD1-CD1 4.34Å; I220-L249 HydrophobicContact CG1-CD1 4.4Å; C246-L249 HydrophobicContact CB-CB 4.49Å; C246-L249 HydrophobicContact CB-CD1 4.24Å; C246-L249 PolarHBondContact O-N 2.87Å; C246-L249 VanDerWaalsContact SG-CA 3.57Å; L249-D251 VanDerWaalsContact C-N 3.32Å; L249-L254 HydrophobicContact CD1-CD1 4.15Å; L249-L254 HydrophobicContact CD1-CD2 3.7Å; L249-L254 HydrophobicContact CD2-CD2 4.13Å; L249-L254 HydrophobicContact CG-CD2 3.62Å; L249-I270 HydrophobicContact CD2-CD1 4.17Å; L249-I270 HydrophobicContact CD2-CG2 4.22Å
250	T	98.2	Very high	98.1	Very high	105 Å²	105	37.5 Å²	37.5	64%	0.644	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-1.1	-179	56.4	0	0	0	0	113.9	G248 G252 L258	G248-T250 PolarHBondContact O-N 3.27Å; T250-G252 PolarHBondContact O-N 2.98Å; T250-L258 HydrophobicContact CG2-CD1 4.36Å
251	D	98.2	Very high	98	Very high	133 Å²	133	35.7 Å²	35.7	71%	0.711	20%	0.203	S	C	*	.	S	Bend	trans	-92.8	59.8	-175.2	-171.9	31.9	0	0	0	111.8	A144 G248 L249	A144-D251 WeakPolarHBondContact CB-O 3.33Å; G248-D251 WeakPolarHBondContact O-CB 3.35Å; G248-D251 PolarHBondContact O-N 3.27Å; L249-D251 VanDerWaalsContact C-N 3.32Å
252	G	97.3	Very high	98	Very high	23 Å²	23	34.1 Å²	34.1	24%	0.237	20%	0.201	C	C	.	.	S	Bend	trans	173.7	-172.4	-176.6	0	0	0	0	0	113.5	T250 L254 G255 D256	T250-G252 PolarHBondContact O-N 2.98Å; G252-L254 PolarHBondContact O-N 3.37Å; G252-G255 VanDerWaalsContact O-CA 3.28Å; G252-G255 WeakPolarHBondContact O-CA 3.34Å; G252-G255 PolarHBondContact O-N 2.98Å; G252-D256 PolarHBondContact O-N 2.86Å
253	S	98	Very high	97.9	Very high	11 Å²	11	42.7 Å²	42.7	8%	0.077	24%	0.235	C	C	.	.	H	α-helix	trans	-58.2	-32	177.2	-179.3	0	0	0	0	113.2	E148 Y189 G255 D256 V257	E148-S253 VanDerWaalsContact OE1-CB 3.31Å; E148-S253 WeakPolarHBondContact OE1-CB 3.49Å; E148-S253 PolarHBondContact OE1-N 3.27Å; E148-S253 PolarHBondContact OE2-N 3.48Å; Y189-S253 VanDerWaalsContact CD1-OG 3.31Å; Y189-S253 WeakPolarHBondContact CD1-OG 3.39Å; S253-G255 VanDerWaalsContact C-N 3.25Å; S253-G255 PolarHBondContact O-N 3.29Å; S253-D256 WeakPolarHBondContact O-CB 3.44Å; S253-D256 PolarHBondContact O-N 3.4Å; S253-D256 VanDerWaalsContact O-N 3.14Å; S253-V257 WeakPolarHBondContact O-CG2 3.29Å; S253-V257 PolarHBondContact O-N 3.49Å
254	L	97.7	Very high	97.6	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-62.5	-37	172.4	-172.9	149.4	0	0	0	111.1	V147 E148 F192 L196 L223 L249 G252 L258	V147-L254 HydrophobicContact CG1-CD1 4.19Å; E148-L254 HydrophobicContact CB-CB 4.29Å; E148-L254 PolarHBondContact OE2-N 2.98Å; F192-L254 HydrophobicContact CE1-CB 4.3Å; F192-L254 HydrophobicContact CZ-CB 4.33Å; F192-L254 HydrophobicContact CZ-CD1 4.49Å; L196-L254 HydrophobicContact CD2-CG 4.23Å; L223-L254 HydrophobicContact CD1-CD1 3.85Å; L249-L254 HydrophobicContact CD1-CD1 4.15Å; L249-L254 HydrophobicContact CD1-CD2 3.7Å; L249-L254 HydrophobicContact CD2-CD2 4.13Å; L249-L254 HydrophobicContact CG-CD2 3.62Å; G252-L254 PolarHBondContact O-N 3.37Å; L254-L258 HydrophobicContact CD2-CD1 3.65Å; L254-L258 HydrophobicContact CD2-CG 4.27Å; L254-L258 WeakPolarHBondContact O-CB 3.45Å; L254-L258 VanDerWaalsContact O-CG 3.27Å; L254-L258 WeakPolarHBondContact O-CG 3.35Å; L254-L258 PolarHBondContact O-N 2.77Å
255	G	98.4	Very high	97.4	Very high	10 Å²	10	51.4 Å²	51.4	10%	0.103	27%	0.271	C	S	.	.	H	α-helix	trans	-63.6	-41.4	169.6	0	0	0	0	0	113.2	G252 S253 V257 L258 F259	G252-G255 VanDerWaalsContact O-CA 3.28Å; G252-G255 WeakPolarHBondContact O-CA 3.34Å; G252-G255 PolarHBondContact O-N 2.98Å; S253-G255 VanDerWaalsContact C-N 3.25Å; S253-G255 PolarHBondContact O-N 3.29Å; G255-V257 PolarHBondContact O-N 3.49Å; G255-L258 WeakPolarHBondContact O-CB 3.43Å; G255-L258 PolarHBondContact O-N 3.41Å; G255-F259 WeakPolarHBondContact O-CB 3.35Å; G255-F259 PolarHBondContact O-N 3.35Å
256	D	98.4	Very high	97.2	Very high	110 Å²	110	56 Å²	56	59%	0.588	30%	0.301	S	S	*	.	H	α-helix	trans	-62.7	-42.1	176.9	-63.9	-29.7	0	0	0	111.9	G252 S253 F259 S260	G252-D256 PolarHBondContact O-N 2.86Å; S253-D256 WeakPolarHBondContact O-CB 3.44Å; S253-D256 PolarHBondContact O-N 3.4Å; S253-D256 VanDerWaalsContact O-N 3.14Å; D256-F259 WeakPolarHBondContact O-CB 3.39Å; D256-F259 PolarHBondContact O-N 3.4Å; D256-S260 PolarHBondContact O-N 3.14Å
257	V	98.4	Very high	97.1	Very high	5 Å²	5	58 Å²	58	3%	0.03	32%	0.321	C	S	.	.	H	α-helix	trans	-69.8	-39.3	177	-179.7	0	0	0	0	111.1	F192 E193 L196 L197 L200 S253 G255 F259 S260 H261	F192-V257 HydrophobicContact CD1-CG2 4.21Å; F192-V257 HydrophobicContact CE1-CG2 4.34Å; E193-V257 HydrophobicContact CB-CG2 3.91Å; E193-V257 HydrophobicContact CG-CG1 4.28Å; E193-V257 HydrophobicContact CG-CG2 4.12Å; L196-V257 HydrophobicContact CB-CG1 4.1Å; L196-V257 HydrophobicContact CD2-CB 3.84Å; L196-V257 HydrophobicContact CD2-CG1 3.74Å; L196-V257 HydrophobicContact CD2-CG2 4.31Å; L196-V257 HydrophobicContact CG-CG1 3.88Å; L197-V257 HydrophobicContact CD2-CG1 3.87Å; L197-V257 HydrophobicContact CG-CG1 4.05Å; L200-V257 HydrophobicContact CD1-CG1 3.93Å; S253-V257 WeakPolarHBondContact O-CG2 3.29Å; S253-V257 PolarHBondContact O-N 3.49Å; G255-V257 PolarHBondContact O-N 3.49Å; V257-F259 VanDerWaalsContact C-N 3.31Å; V257-F259 PolarHBondContact O-N 2.87Å; V257-S260 PolarHBondContact O-N 2.99Å; V257-H261 VanDerWaalsContact O-CB 3.32Å; V257-H261 WeakPolarHBondContact O-CB 3.26Å; V257-H261 PolarHBondContact O-N 3.4Å
258	L	98.1	Very high	97.2	Very high	19 Å²	19	58.1 Å²	58.1	10%	0.099	32%	0.32	C	S	.	.	H	α-helix	trans	-58.1	-44.2	171.1	-76.2	169.9	0	0	0	111.2	L200 T250 L254 G255 H261 T262 L268 I270	L200-L258 HydrophobicContact CD1-CD2 4Å; L200-L258 HydrophobicContact CD2-CD2 3.88Å; T250-L258 HydrophobicContact CG2-CD1 4.36Å; L254-L258 HydrophobicContact CD2-CD1 3.65Å; L254-L258 HydrophobicContact CD2-CG 4.27Å; L254-L258 WeakPolarHBondContact O-CB 3.45Å; L254-L258 VanDerWaalsContact O-CG 3.27Å; L254-L258 WeakPolarHBondContact O-CG 3.35Å; L254-L258 PolarHBondContact O-N 2.77Å; G255-L258 WeakPolarHBondContact O-CB 3.43Å; G255-L258 PolarHBondContact O-N 3.41Å; L258-H261 WeakPolarHBondContact O-CB 3.19Å; L258-H261 PolarHBondContact O-N 3.01Å; L258-T262 WeakPolarHBondContact O-CG2 3.34Å; L258-T262 PolarHBondContact O-N 3.33Å; L258-T262 VanDerWaalsContact O-N 3.13Å; L258-L268 HydrophobicContact CD2-CD2 3.64Å; L258-I270 HydrophobicContact CD1-CD1 3.75Å; L258-I270 HydrophobicContact CD2-CD1 3.96Å
259	F	98.1	Very high	97.3	Very high	127 Å²	127	64.4 Å²	64.4	56%	0.557	34%	0.342	S	S	*	.	H	α-helix	trans	-59.8	-50.1	175.8	170.5	-98	0	0	0	111.7	G255 D256 V257 H261 T262 Y263	G255-F259 WeakPolarHBondContact O-CB 3.35Å; G255-F259 PolarHBondContact O-N 3.35Å; D256-F259 WeakPolarHBondContact O-CB 3.39Å; D256-F259 PolarHBondContact O-N 3.4Å; V257-F259 VanDerWaalsContact C-N 3.31Å; V257-F259 PolarHBondContact O-N 2.87Å; F259-H261 VanDerWaalsContact C-N 3.3Å; F259-H261 PolarHBondContact O-N 3.45Å; F259-T262 PolarHBondContact O-N 3.29Å; F259-T262 VanDerWaalsContact O-N 3.15Å; F259-T262 PolarHBondContact O-OG1 3.22Å; F259-Y263 HydrophobicContact CD2-CE2 4.29Å; F259-Y263 AromaticContact CE1-CE2 3.93Å; F259-Y263 HydrophobicContact CE1-CE2 3.93Å; F259-Y263 AromaticContact CE2-CE2 3.68Å; F259-Y263 HydrophobicContact CE2-CE2 3.68Å; F259-Y263 AromaticContact CZ-CE2 3.48Å; F259-Y263 HydrophobicContact CZ-CE2 3.48Å; F259-Y263 VanDerWaalsContact CZ-CE2 3.48Å; F259-Y263 WeakPolarHBondContact O-CD2 3.33Å
260	S	97	Very high	97.3	Very high	45 Å²	45	66.4 Å²	66.4	32%	0.315	35%	0.353	S	S	.	.	H	α-helix	trans	-55.7	-46	175.5	-177.2	0	0	0	0	111.3	E193 D256 V257 T262 Y263	E193-S260 PolarHBondContact OE1-OG 3.23Å; E193-S260 VanDerWaalsContact OE1-OG 3.11Å; D256-S260 PolarHBondContact O-N 3.14Å; V257-S260 PolarHBondContact O-N 2.99Å; S260-T262 VanDerWaalsContact C-N 3.27Å; S260-T262 PolarHBondContact O-N 3.07Å; S260-Y263 PolarHBondContact O-N 3.46Å
261	H	97.9	Very high	97.3	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-58.1	-35.5	178.6	-174.9	-101.1	0	0	0	112.8	L197 L200 D201 V257 L258 F259 Y263 R264 S265	L197-H261 HydrophobicContact CD2-CB 3.97Å; L200-H261 HydrophobicContact CD1-CB 3.94Å; D201-H261 PolarHBondContact N-NE2 3.19Å; D201-H261 IonicContact OD1-CD2 3.1Å; D201-H261 IonicContact OD1-CE1 2.66Å; D201-H261 IonicContact OD1-NE2 3.44Å; D201-H261 PolarHBondContact OD1-NE2 3.12Å; V257-H261 VanDerWaalsContact O-CB 3.32Å; V257-H261 WeakPolarHBondContact O-CB 3.26Å; V257-H261 PolarHBondContact O-N 3.4Å; L258-H261 WeakPolarHBondContact O-CB 3.19Å; L258-H261 PolarHBondContact O-N 3.01Å; F259-H261 VanDerWaalsContact C-N 3.3Å; F259-H261 PolarHBondContact O-N 3.45Å; H261-Y263 PolarHBondContact O-N 3.43Å; H261-R264 PolarHBondContact O-N 2.76Å; H261-S265 PolarHBondContact O-N 3.49Å
262	T	97.4	Very high	97.3	Very high	64 Å²	64	61 Å²	61	39%	0.393	32%	0.32	S	S	.	.	H	α-helix	trans	-60.9	-28.8	-179.3	71	0	0	0	0	114.3	L258 F259 S260 P266	L258-T262 WeakPolarHBondContact O-CG2 3.34Å; L258-T262 PolarHBondContact O-N 3.33Å; L258-T262 VanDerWaalsContact O-N 3.13Å; F259-T262 PolarHBondContact O-N 3.29Å; F259-T262 VanDerWaalsContact O-N 3.15Å; F259-T262 PolarHBondContact O-OG1 3.22Å; S260-T262 VanDerWaalsContact C-N 3.27Å; S260-T262 PolarHBondContact O-N 3.07Å; T262-P266 WeakPolarHBondContact O-CA 3.37Å; T262-P266 WeakPolarHBondContact O-CB 3.4Å
263	Y	96.5	Very high	97.3	Very high	182 Å²	182	65 Å²	65	71%	0.714	34%	0.339	S	S	*	.	H	α-helix	trans	-80.2	-24.7	177.8	-71.8	-85.1	0	0	0	112.6	F259 S260 H261	F259-Y263 HydrophobicContact CD2-CE2 4.29Å; F259-Y263 AromaticContact CE1-CE2 3.93Å; F259-Y263 HydrophobicContact CE1-CE2 3.93Å; F259-Y263 AromaticContact CE2-CE2 3.68Å; F259-Y263 HydrophobicContact CE2-CE2 3.68Å; F259-Y263 AromaticContact CZ-CE2 3.48Å; F259-Y263 HydrophobicContact CZ-CE2 3.48Å; F259-Y263 VanDerWaalsContact CZ-CE2 3.48Å; F259-Y263 WeakPolarHBondContact O-CD2 3.33Å; S260-Y263 PolarHBondContact O-N 3.46Å; H261-Y263 PolarHBondContact O-N 3.43Å
264	R	92.3	Very high	97.3	Very high	164 Å²	164	67 Å²	67	62%	0.619	35%	0.347	S	S	*	.	H	α-helix	trans	-87.9	-47.8	179.8	179.2	179.8	162	142.3	-7.7	111.4	D201 H261	D201-R264 IonicContact OD2-CZ 3.25Å; D201-R264 IonicContact OD2-NE 3.23Å; D201-R264 PolarHBondContact OD2-NE 2.79Å; D201-R264 IonicContact OD2-NH2 3.9Å; D201-R264 PolarHBondContact OD2-NH2 3.32Å; H261-R264 PolarHBondContact O-N 2.76Å
265	S	94.4	Very high	97.4	Very high	28 Å²	28	67.2 Å²	67.2	20%	0.196	35%	0.348	C	S	.	.	S	Bend	trans	-139.7	78.3	-172.7	-56.8	0	0	0	0	109.2	D201 L204 H261	D201-S265 WeakPolarHBondContact OD1-CB 3.36Å; D201-S265 PolarHBondContact OD1-OG 3.01Å; L204-S265 WeakPolarHBondContact CD2-O 3.37Å; H261-S265 PolarHBondContact O-N 3.49Å
266	P	95.8	Very high	97.4	Very high	98 Å²	98	70.5 Å²	70.5	64%	0.636	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	148.7	-174.5	26.5	-34.4	0	0	0	112.4	T262	T262-P266 WeakPolarHBondContact O-CA 3.37Å; T262-P266 WeakPolarHBondContact O-CB 3.4Å
267	G	96.6	Very high	97.3	Very high	41 Å²	41	72.5 Å²	72.5	42%	0.423	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	121	-5.6	166.2	0	0	0	0	0	116.1	Q207 K269	Q207-G267 PolarHBondContact NE2-O 2.81Å; G267-K269 PolarHBondContact O-N 3.12Å
268	L	98.2	Very high	97.3	Very high	31 Å²	31	73.2 Å²	73.2	16%	0.162	37%	0.365	C	S	.	.			trans	-62.7	130.4	174.9	-178.1	59.9	0	0	0	110.3	L200 V203 L204 L258	L200-L268 HydrophobicContact CD2-CD2 4.01Å; V203-L268 HydrophobicContact CG1-CD1 3.67Å; V203-L268 HydrophobicContact CG1-CD2 4.39Å; L204-L268 HydrophobicContact CD1-CB 4.18Å; L258-L268 HydrophobicContact CD2-CD2 3.64Å
269	K	98.1	Very high	97.3	Very high	151 Å²	151	72.3 Å²	72.3	66%	0.657	36%	0.361	S	S	*	.			trans	-124.4	139.1	177.3	-67	178.7	-177.4	177	0	109.1	Q207 G267	Q207-K269 PolarHBondContact OE1-O 2.97Å; G267-K269 PolarHBondContact O-N 3.12Å
270	I	98.1	Very high	97.4	Very high	46 Å²	46	67.5 Å²	67.5	24%	0.236	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-125.1	111.5	177.3	-61.6	173.7	0	0	0	107.3	W214 P216 L219 L249 L258	W214-I270 CarbonylContact O-C 3.34Å; W214-I270 WeakPolarHBondContact O-CA 3.43Å; P216-I270 HydrophobicContact CG-CG2 3.98Å; L219-I270 HydrophobicContact CD2-CD1 3.8Å; L249-I270 HydrophobicContact CD2-CD1 4.17Å; L249-I270 HydrophobicContact CD2-CG2 4.22Å; L258-I270 HydrophobicContact CD1-CD1 3.75Å; L258-I270 HydrophobicContact CD2-CD1 3.96Å
271	D	98.2	Very high	97.4	Very high	46 Å²	46	66.8 Å²	66.8	25%	0.246	33%	0.333	C	S	.	.			trans	-88.5	125.6	-178	178.7	30.4	0	0	0	111.7	N213 W214 T215 P216 V273 E274	N213-D271 PolarHBondContact ND2-OD2 2.62Å; W214-D271 PolarHBondContact O-N 3.12Å; T215-D271 WeakPolarHBondContact CA-O 3.4Å; T215-D271 WeakPolarHBondContact CB-O 3.46Å; T215-D271 WeakPolarHBondContact CG2-O 3.31Å; P216-D271 WeakPolarHBondContact CD-O 3.47Å; D271-V273 WeakPolarHBondContact OD1-CB 3.43Å; D271-V273 PolarHBondContact OD1-N 3.33Å; D271-E274 WeakPolarHBondContact OD2-CB 3.44Å; D271-E274 PolarHBondContact OD2-N 3.42Å; D271-E274 VanDerWaalsContact OD2-N 3.1Å
272	L	97.7	Very high	97.4	Very high	79 Å²	79	67.1 Å²	67.1	41%	0.414	34%	0.335	S	S	.	.	H	α-helix	trans	-86.2	-23.3	175.5	-60.8	178.5	0	0	0	112.4	P216 D275 I276	P216-L272 HydrophobicContact CG-CD2 3.43Å; P216-L272 VanDerWaalsContact CG-CD2 3.43Å; L272-D275 PolarHBondContact O-N 3.18Å; L272-I276 PolarHBondContact O-N 3.07Å
273	V	98.4	Very high	97.4	Very high	105 Å²	105	64.1 Å²	64.1	64%	0.636	32%	0.316	S	S	*	.	H	α-helix	trans	-70.8	-43.7	-172.5	-179.6	0	0	0	0	110.8	D271 D275 I276 R277	D271-V273 WeakPolarHBondContact OD1-CB 3.43Å; D271-V273 PolarHBondContact OD1-N 3.33Å; V273-D275 VanDerWaalsContact C-N 3.28Å; V273-D275 PolarHBondContact O-N 3.16Å; V273-I276 PolarHBondContact O-N 2.99Å; V273-R277 PolarHBondContact O-N 3.39Å; V273-R277 VanDerWaalsContact O-N 3.1Å
274	E	98.2	Very high	97.4	Very high	53 Å²	53	59.3 Å²	59.3	25%	0.248	30%	0.303	C	S	.	.	H	α-helix	trans	-59.2	-40	173.7	-177	-177.7	158.8	0	0	111.7	N213 T215 K218 D271 R277 N278	N213-E274 PolarHBondContact ND2-OE2 3.19Å; T215-E274 HydrophobicContact CG2-CB 3.67Å; T215-E274 HydrophobicContact CG2-CG 3.91Å; K218-E274 WeakPolarHBondContact CE-OE1 3.42Å; K218-E274 IonicContact NZ-OE1 2.81Å; K218-E274 PolarHBondContact NZ-OE1 3.44Å; K218-E274 IonicContact NZ-OE2 3.42Å; K218-E274 PolarHBondContact NZ-OE2 2.91Å; K218-E274 VanDerWaalsContact NZ-OE2 3.1Å; D271-E274 WeakPolarHBondContact OD2-CB 3.44Å; D271-E274 PolarHBondContact OD2-N 3.42Å; D271-E274 VanDerWaalsContact OD2-N 3.1Å; E274-R277 WeakPolarHBondContact O-CB 3.22Å; E274-R277 PolarHBondContact O-N 3.03Å; E274-N278 VanDerWaalsContact O-CG 3.24Å; E274-N278 PolarHBondContact O-N 3.21Å; E274-N278 PolarHBondContact O-ND2 3.18Å
275	D	98.4	Very high	97.6	Very high	6 Å²	6	53 Å²	53	3%	0.032	28%	0.281	C	S	.	.	H	α-helix	trans	-67.1	-38.5	178	-101.5	16.8	0	0	0	113.2	T215 P216 S217 F245 L272 V273 R277 N278 I279	T215-D275 WeakPolarHBondContact CB-OD1 3.43Å; T215-D275 PolarHBondContact OG1-OD1 3.03Å; P216-D275 WeakPolarHBondContact CB-OD2 3.49Å; P216-D275 VanDerWaalsContact CD-OD2 3.28Å; P216-D275 WeakPolarHBondContact CD-OD2 3.23Å; S217-D275 WeakPolarHBondContact CB-OD1 3.48Å; S217-D275 WeakPolarHBondContact CB-OD2 3.49Å; S217-D275 PolarHBondContact N-OD2 2.69Å; S217-D275 PolarHBondContact OG-OD1 3.12Å; S217-D275 PolarHBondContact OG-OD2 2.81Å; F245-D275 HydrophobicContact CD1-CB 4.05Å; F245-D275 HydrophobicContact CE1-CB 4.27Å; F245-D275 WeakPolarHBondContact CE1-O 3.35Å; L272-D275 PolarHBondContact O-N 3.18Å; V273-D275 VanDerWaalsContact C-N 3.28Å; V273-D275 PolarHBondContact O-N 3.16Å; D275-R277 VanDerWaalsContact C-N 3.31Å; D275-R277 PolarHBondContact O-N 2.83Å; D275-N278 PolarHBondContact O-N 2.67Å; D275-I279 PolarHBondContact O-N 3.04Å
276	I	98.2	Very high	97.7	Very high	80 Å²	80	52 Å²	52	41%	0.41	28%	0.275	S	S	.	.	H	α-helix	trans	-60.7	-42.1	172.9	-75.5	166.7	0	0	0	110.9	L272 V273 N278 I279 N280	L272-I276 PolarHBondContact O-N 3.07Å; V273-I276 PolarHBondContact O-N 2.99Å; I276-N278 VanDerWaalsContact C-N 3.34Å; I276-I279 WeakPolarHBondContact O-CG2 3.42Å; I276-N280 WeakPolarHBondContact O-CB 3.36Å; I276-N280 PolarHBondContact O-N 3.41Å; I276-N280 VanDerWaalsContact O-N 3.16Å; I276-N280 PolarHBondContact O-ND2 3.24Å
277	R	97.8	Very high	97.6	Very high	152 Å²	152	54.6 Å²	54.6	57%	0.574	27%	0.272	S	S	*	.	H	α-helix	trans	-61.8	-45.1	175.2	174.5	178.1	152.1	81.2	3.3	110.6	V273 E274 D275 N280 L281	V273-R277 PolarHBondContact O-N 3.39Å; V273-R277 VanDerWaalsContact O-N 3.1Å; E274-R277 WeakPolarHBondContact O-CB 3.22Å; E274-R277 PolarHBondContact O-N 3.03Å; D275-R277 VanDerWaalsContact C-N 3.31Å; D275-R277 PolarHBondContact O-N 2.83Å; R277-N280 PolarHBondContact O-N 3.14Å; R277-L281 HydrophobicContact CG-CD1 3.85Å; R277-L281 HydrophobicContact CG-CG 4.4Å; R277-L281 WeakPolarHBondContact O-CB 3.44Å; R277-L281 VanDerWaalsContact O-CG 3.29Å; R277-L281 WeakPolarHBondContact O-CG 3.17Å; R277-L281 PolarHBondContact O-N 2.85Å
278	N	98.1	Very high	97.6	Very high	19 Å²	19	53.4 Å²	53.4	10%	0.102	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-49.2	-178.4	-71.1	-25.9	0	0	0	112.3	P101 F245 E274 D275 I276 N280 L281 L282	P101-N278 HydrophobicContact CB-CB 4.38Å; P101-N278 HydrophobicContact CG-CB 4.38Å; F245-N278 HydrophobicContact CE1-CB 3.86Å; F245-N278 HydrophobicContact CZ-CB 3.99Å; E274-N278 VanDerWaalsContact O-CG 3.24Å; E274-N278 PolarHBondContact O-N 3.21Å; E274-N278 PolarHBondContact O-ND2 3.18Å; D275-N278 PolarHBondContact O-N 2.67Å; I276-N278 VanDerWaalsContact C-N 3.34Å; N278-N280 PolarHBondContact O-N 2.84Å; N278-L281 PolarHBondContact O-N 2.62Å; N278-L282 WeakPolarHBondContact O-CG 3.2Å; N278-L282 PolarHBondContact O-N 2.97Å
279	I	98.6	Very high	97.7	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-66.1	-37.5	-179.8	-164	177.8	0	0	0	112.5	F112 V141 F245 D275 I276 L282 A283 A306	F112-I279 HydrophobicContact CE1-CD1 4.46Å; F112-I279 HydrophobicContact CE1-CG1 4.02Å; V141-I279 HydrophobicContact CG2-CD1 3.76Å; F245-I279 HydrophobicContact CB-CD1 4.26Å; F245-I279 HydrophobicContact CD1-CB 4.09Å; F245-I279 HydrophobicContact CD2-CB 3.94Å; F245-I279 HydrophobicContact CD2-CD1 3.77Å; F245-I279 HydrophobicContact CD2-CG1 3.8Å; F245-I279 HydrophobicContact CE1-CB 3.93Å; F245-I279 HydrophobicContact CE2-CB 3.77Å; F245-I279 HydrophobicContact CE2-CD1 4.33Å; F245-I279 HydrophobicContact CE2-CG1 3.83Å; F245-I279 HydrophobicContact CG-CB 4.09Å; F245-I279 HydrophobicContact CG-CD1 4.03Å; F245-I279 HydrophobicContact CG-CG1 4.28Å; F245-I279 HydrophobicContact CZ-CB 3.76Å; F245-I279 HydrophobicContact CZ-CG1 4.34Å; D275-I279 PolarHBondContact O-N 3.04Å; I276-I279 WeakPolarHBondContact O-CG2 3.42Å; I279-L282 WeakPolarHBondContact O-CB 3.48Å; I279-L282 PolarHBondContact O-N 3.45Å; I279-A283 PolarHBondContact O-N 3.12Å; I279-A306 HydrophobicContact CD1-CB 4.19Å; I279-A306 HydrophobicContact CG1-CB 3.92Å; I279-A306 HydrophobicContact CG2-CB 4.39Å
280	N	98.5	Very high	97.7	Very high	25 Å²	25	44.7 Å²	44.7	13%	0.134	22%	0.217	C	C	.	.	H	α-helix	trans	-66.3	-42.5	177	-72.3	-10.5	0	0	0	111.4	I276 R277 N278 L282 A283 I284 A306 M309	I276-N280 WeakPolarHBondContact O-CB 3.36Å; I276-N280 PolarHBondContact O-N 3.41Å; I276-N280 VanDerWaalsContact O-N 3.16Å; I276-N280 PolarHBondContact O-ND2 3.24Å; R277-N280 PolarHBondContact O-N 3.14Å; N278-N280 PolarHBondContact O-N 2.84Å; N280-L282 VanDerWaalsContact C-N 3.32Å; N280-L282 PolarHBondContact O-N 3.43Å; N280-A283 PolarHBondContact O-N 3.36Å; N280-I284 WeakPolarHBondContact O-CD1 3.33Å; N280-I284 VanDerWaalsContact O-CG1 3.27Å; N280-I284 WeakPolarHBondContact O-CG1 3.26Å; N280-I284 PolarHBondContact O-N 3.09Å; N280-A306 WeakPolarHBondContact OD1-CA 3.31Å; N280-M309 HydrophobicContact CB-CG 4.14Å
281	L	97.4	Very high	97.7	Very high	30 Å²	30	42.5 Å²	42.5	16%	0.157	21%	0.206	C	C	.	.	H	α-helix	trans	-64.2	-36	176.7	-73.9	174.8	0	0	0	112.3	R277 N278 A283 I284 N285	R277-L281 HydrophobicContact CG-CD1 3.85Å; R277-L281 HydrophobicContact CG-CG 4.4Å; R277-L281 WeakPolarHBondContact O-CB 3.44Å; R277-L281 VanDerWaalsContact O-CG 3.29Å; R277-L281 WeakPolarHBondContact O-CG 3.17Å; R277-L281 PolarHBondContact O-N 2.85Å; N278-L281 PolarHBondContact O-N 2.62Å; L281-A283 VanDerWaalsContact C-N 3.3Å; L281-A283 PolarHBondContact O-N 2.58Å; L281-I284 HydrophobicContact CD2-CD1 4.47Å; L281-I284 PolarHBondContact O-N 2.99Å; L281-N285 VanDerWaalsContact O-CB 3.24Å; L281-N285 WeakPolarHBondContact O-CB 3.45Å; L281-N285 VanDerWaalsContact O-CG 3.27Å; L281-N285 PolarHBondContact O-N 3.13Å; L281-N285 PolarHBondContact O-ND2 2.63Å
282	L	98	Very high	97.8	Very high	9 Å²	9	41 Å²	41	5%	0.047	20%	0.198	C	C	.	.	H	α-helix	trans	-59	-41.6	173.2	-73.1	169.8	0	0	0	112	H100 P101 F112 V139 P243 F245 N278 I279 N280 A286	H100-L282 WeakPolarHBondContact CD2-CD2 3.46Å; P101-L282 HydrophobicContact CG-CD1 4.32Å; F112-L282 HydrophobicContact CZ-CB 4.35Å; V139-L282 HydrophobicContact CG1-CD1 4.47Å; V139-L282 HydrophobicContact CG2-CD1 3.86Å; P243-L282 HydrophobicContact CG-CD1 3.8Å; F245-L282 HydrophobicContact CE2-CD1 3.64Å; F245-L282 HydrophobicContact CZ-CD1 3.78Å; N278-L282 WeakPolarHBondContact O-CG 3.2Å; N278-L282 PolarHBondContact O-N 2.97Å; I279-L282 WeakPolarHBondContact O-CB 3.48Å; I279-L282 PolarHBondContact O-N 3.45Å; N280-L282 VanDerWaalsContact C-N 3.32Å; N280-L282 PolarHBondContact O-N 3.43Å; L282-A286 WeakPolarHBondContact O-CB 3.49Å; L282-A286 PolarHBondContact O-N 3.21Å
283	A	98.2	Very high	97.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-71.9	-46.9	176.8	0	0	0	0	0	112.1	F112 I279 N280 L281 N285 A286 A306 R310	F112-A283 HydrophobicContact CZ-CB 4.06Å; I279-A283 PolarHBondContact O-N 3.12Å; N280-A283 PolarHBondContact O-N 3.36Å; L281-A283 VanDerWaalsContact C-N 3.3Å; L281-A283 PolarHBondContact O-N 2.58Å; A283-N285 VanDerWaalsContact C-N 3.29Å; A283-N285 PolarHBondContact O-N 2.96Å; A283-A286 WeakPolarHBondContact O-CB 3.3Å; A283-A286 PolarHBondContact O-N 3.11Å; A283-A306 HydrophobicContact CB-CB 4.22Å; A283-A306 WeakPolarHBondContact CB-O 3.36Å; A283-R310 WeakPolarHBondContact O-CD 3.41Å; A283-R310 PolarHBondContact O-NE 3.15Å
284	I	97.2	Very high	97.8	Very high	82 Å²	82	32.3 Å²	32.3	42%	0.421	15%	0.148	S	C	.	.	H	α-helix	trans	-56.9	-44.2	179.5	-70.3	161.9	0	0	0	111	N280 L281 A286 M309	N280-I284 WeakPolarHBondContact O-CD1 3.33Å; N280-I284 VanDerWaalsContact O-CG1 3.27Å; N280-I284 WeakPolarHBondContact O-CG1 3.26Å; N280-I284 PolarHBondContact O-N 3.09Å; L281-I284 HydrophobicContact CD2-CD1 4.47Å; L281-I284 PolarHBondContact O-N 2.99Å; I284-A286 VanDerWaalsContact C-N 3.29Å; I284-A286 PolarHBondContact O-N 3.37Å; I284-M309 HydrophobicContact CD1-CB 3.97Å; I284-M309 HydrophobicContact CG1-CB 3.69Å
285	N	96.1	Very high	97.9	Very high	31 Å²	31	30.5 Å²	30.5	17%	0.166	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-0.9	-175.5	-63.7	-19.4	0	0	0	113.2	L96 F99 L281 A283	L96-N285 HydrophobicContact CB-CB 4.39Å; L96-N285 HydrophobicContact CD2-CB 4.05Å; F99-N285 WeakPolarHBondContact CB-ND2 3.37Å; L281-N285 VanDerWaalsContact O-CB 3.24Å; L281-N285 WeakPolarHBondContact O-CB 3.45Å; L281-N285 VanDerWaalsContact O-CG 3.27Å; L281-N285 PolarHBondContact O-N 3.13Å; L281-N285 PolarHBondContact O-ND2 2.63Å; A283-N285 VanDerWaalsContact C-N 3.29Å; A283-N285 PolarHBondContact O-N 2.96Å
286	A	96	Very high	97.9	Very high	8 Å²	8	30.9 Å²	30.9	7%	0.066	15%	0.149	C	C	.	.			trans	-81.1	131.9	179	0	0	0	0	0	112.3	T110 L282 A283 I284 T289 R310	T110-A286 WeakPolarHBondContact OG1-CB 3.45Å; L282-A286 WeakPolarHBondContact O-CB 3.49Å; L282-A286 PolarHBondContact O-N 3.21Å; A283-A286 WeakPolarHBondContact O-CB 3.3Å; A283-A286 PolarHBondContact O-N 3.11Å; I284-A286 VanDerWaalsContact C-N 3.29Å; I284-A286 PolarHBondContact O-N 3.37Å; A286-T289 HydrophobicContact CB-CG2 3.38Å; A286-R310 PolarHBondContact O-NH2 3.09Å
287	R	94.1	Very high	97.9	Very high	152 Å²	152	28.5 Å²	28.5	57%	0.574	14%	0.144	S	C	*	.	S	Bend	trans	-60.6	-52.2	176.1	-174.7	65.6	165.2	167.4	-5.2	111.7	E89 R310	E89-R287 IonicContact OE1-NH2 2.71Å; R287-R310 PolarHBondContact O-NH2 2.79Å
288	T	97	Very high	97.8	Very high	15 Å²	15	25.3 Å²	25.3	9%	0.092	14%	0.138	C	C	.	.	S	Bend	trans	-135.5	158.2	166	59.9	0	0	0	0	109.2	Q108 C109 T110 D314	Q108-T288 PolarHBondContact O-N 3.25Å; Q108-T288 PolarHBondContact O-OG1 3.45Å; C109-T288 CarbonylContact C-O 3.26Å; C109-T288 WeakPolarHBondContact CA-O 3.49Å; C109-T288 VanDerWaalsContact CA-OG1 3.29Å; C109-T288 WeakPolarHBondContact CA-OG1 3.31Å; C109-T288 VanDerWaalsContact CB-OG1 3.3Å; C109-T288 WeakPolarHBondContact CB-OG1 3.3Å; T110-T288 PolarHBondContact N-O 2.57Å; T288-D314 WeakPolarHBondContact CA-OD2 3.48Å; T288-D314 WeakPolarHBondContact CB-OD2 3.37Å
289	T	98.7	Very high	97.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	141	176	58.6	0	0	0	0	111.9	T110 F112 A286 N307 R310 A313 D314 Y315	T110-T289 WeakPolarHBondContact O-CA 3.36Å; F112-T289 HydrophobicContact CE2-CG2 3.93Å; A286-T289 HydrophobicContact CB-CG2 3.38Å; T289-N307 WeakPolarHBondContact CB-OD1 3.22Å; T289-N307 WeakPolarHBondContact CG2-OD1 3.29Å; T289-N307 PolarHBondContact OG1-OD1 2.87Å; T289-R310 PolarHBondContact OG1-NH1 2.82Å; T289-A313 WeakPolarHBondContact OG1-CA 3.48Å; T289-D314 PolarHBondContact N-OD2 3.22Å; T289-D314 PolarHBondContact O-N 3.49Å; T289-Y315 PolarHBondContact O-N 3.33Å; T289-Y315 VanDerWaalsContact O-N 3.11Å
290	G	98.7	Very high	97.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	136.6	169.6	0	0	0	0	0	110.2	T110 I111 F112 Y315	T110-G290 PolarHBondContact O-N 3.22Å; T110-G290 VanDerWaalsContact O-N 3.09Å; I111-G290 WeakPolarHBondContact CA-O 3.25Å; F112-G290 PolarHBondContact N-O 3.18Å; G290-Y315 WeakPolarHBondContact CA-O 3.19Å
291	M	98.8	Very high	97.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.4	174.5	-60.3	-173.6	-58.1	0	0	110.1	V293 T303 F304 N307 A313 Y315 C316 V317 I343	M291-V293 HydrophobicContact CB-CG2 4.38Å; M291-T303 HydrophobicContact CG-CG2 4.1Å; M291-T303 HydrophobicContact SD-CG2 3.99Å; M291-F304 HydrophobicContact CE-CD1 4.11Å; M291-F304 HydrophobicContact CE-CD2 3.81Å; M291-F304 HydrophobicContact CE-CE1 4.02Å; M291-F304 HydrophobicContact CE-CE2 3.71Å; M291-F304 HydrophobicContact CE-CG 4.01Å; M291-F304 HydrophobicContact CE-CZ 3.82Å; M291-F304 HydrophobicContact SD-CD2 3.73Å; M291-F304 HydrophobicContact SD-CE2 4.04Å; M291-F304 HydrophobicContact SD-CG 4.16Å; M291-N307 HydrophobicContact SD-CB 3.96Å; M291-N307 PolarHBondContact SD-ND2 3.33Å; M291-A313 HydrophobicContact CE-CB 3.57Å; M291-A313 HydrophobicContact CG-CB 3.9Å; M291-A313 HydrophobicContact SD-CB 3.99Å; M291-Y315 PolarHBondContact N-O 3.1Å; M291-C316 HydrophobicContact CE-CB 4.17Å; M291-C316 CarbonylContact O-C 3.58Å; M291-C316 WeakPolarHBondContact O-CA 3.46Å; M291-V317 PolarHBondContact O-N 3.38Å; M291-I343 HydrophobicContact CE-CD1 4.35Å; M291-I343 HydrophobicContact CE-CG1 3.82Å
292	I	98.9	Very high	97.9	Very high	14 Å²	14	27 Å²	27	7%	0.072	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	112.5	170.4	-52.3	174.6	0	0	0	106.6	L73 M76 I111 F112 L113 A114 L294 V317 F360	L73-I292 HydrophobicContact CD2-CD1 3.47Å; L73-I292 VanDerWaalsContact CD2-CD1 3.47Å; L73-I292 HydrophobicContact CD2-CG1 3.63Å; M76-I292 HydrophobicContact CE-CG1 4.37Å; M76-I292 HydrophobicContact SD-CD1 4.41Å; M76-I292 HydrophobicContact SD-CG1 4.09Å; I111-I292 HydrophobicContact CG2-CD1 3.79Å; I111-I292 HydrophobicContact CG2-CG1 4.2Å; F112-I292 PolarHBondContact O-N 3.22Å; L113-I292 CarbonylContact C-O 3.6Å; L113-I292 WeakPolarHBondContact CA-O 3.39Å; L113-I292 HydrophobicContact CD1-CB 3.98Å; L113-I292 HydrophobicContact CD1-CG2 3.86Å; A114-I292 PolarHBondContact N-O 2.88Å; I292-L294 HydrophobicContact CG2-CD2 4.44Å; I292-V317 WeakPolarHBondContact CA-O 3.31Å; I292-F360 HydrophobicContact CG2-CE2 4Å
293	V	98.9	Very high	98	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	118.6	-172.9	-178.9	0	0	0	0	111.1	A114 M291 I299 K300 F304 V317 L318 I319	A114-V293 HydrophobicContact CB-CB 4.5Å; A114-V293 HydrophobicContact CB-CG1 4.28Å; A114-V293 HydrophobicContact CB-CG2 4.03Å; A114-V293 CarbonylContact O-C 3.52Å; A114-V293 WeakPolarHBondContact O-CA 3.03Å; M291-V293 HydrophobicContact CB-CG2 4.38Å; V293-I299 HydrophobicContact CG1-CD1 3.84Å; V293-K300 HydrophobicContact CG1-CB 3.88Å; V293-K300 HydrophobicContact CG1-CG 4.19Å; V293-F304 HydrophobicContact CG2-CD2 4.46Å; V293-F304 HydrophobicContact CG2-CE2 3.79Å; V293-V317 PolarHBondContact N-O 3Å; V293-L318 HydrophobicContact CB-CD1 3.67Å; V293-L318 HydrophobicContact CG1-CD1 3.63Å; V293-L318 WeakPolarHBondContact O-CA 3.39Å; V293-I319 PolarHBondContact O-N 3.25Å
294	L	98.9	Very high	98	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	100.7	178.6	-46.3	-178.2	0	0	0	108.9	A114 Y115 T116 M119 V124 I292 I319 A356 F360	A114-L294 PolarHBondContact O-N 2.82Å; Y115-L294 WeakPolarHBondContact CA-O 3.38Å; T116-L294 PolarHBondContact N-O 3.25Å; M119-L294 HydrophobicContact CG-CB 4.21Å; M119-L294 HydrophobicContact SD-CB 4.46Å; V124-L294 HydrophobicContact CG1-CD1 4.39Å; I292-L294 HydrophobicContact CG2-CD2 4.44Å; L294-I319 CarbonylContact C-O 3.57Å; L294-I319 WeakPolarHBondContact CA-O 3.12Å; L294-I319 HydrophobicContact CD2-CB 4.03Å; L294-I319 HydrophobicContact CD2-CD1 3.9Å; L294-I319 HydrophobicContact CD2-CG1 4.19Å; L294-A356 HydrophobicContact CB-CB 4.28Å; L294-A356 HydrophobicContact CD2-CB 4.45Å; L294-F360 HydrophobicContact CD1-CB 4.43Å; L294-F360 HydrophobicContact CD1-CD1 3.6Å; L294-F360 HydrophobicContact CD1-CD2 3.85Å; L294-F360 HydrophobicContact CD1-CE1 3.64Å; L294-F360 HydrophobicContact CD1-CE2 3.89Å; L294-F360 HydrophobicContact CD1-CG 3.68Å; L294-F360 HydrophobicContact CD1-CZ 3.77Å; L294-F360 HydrophobicContact CD2-CB 4.4Å; L294-F360 HydrophobicContact CD2-CD2 3.49Å; L294-F360 VanDerWaalsContact CD2-CD2 3.49Å; L294-F360 HydrophobicContact CD2-CE2 3.83Å; L294-F360 HydrophobicContact CD2-CG 3.95Å; L294-F360 HydrophobicContact CG-CD2 4.28Å; L294-F360 HydrophobicContact CG-CE2 4.34Å; L294-F360 HydrophobicContact CG-CG 4.49Å
295	G	98.6	Very high	98.1	Very high	15 Å²	15	25.2 Å²	25.2	16%	0.155	14%	0.135	C	C	.	.	S	Bend	trans	101.6	-149.4	-176	0	0	0	0	0	114.4	I319 N320	G295-I319 PolarHBondContact N-O 2.87Å; G295-N320 VanDerWaalsContact O-CB 3.3Å; G295-N320 WeakPolarHBondContact O-CB 3.4Å; G295-N320 PolarHBondContact O-ND2 2.86Å; G295-N320 VanDerWaalsContact O-ND2 3.12Å
296	G	98.4	Very high	98.2	Very high	14 Å²	14	23.8 Å²	23.8	14%	0.144	13%	0.127	C	C	.	.			trans	-147	-157.6	-172.2	0	0	0	0	0	112.4	I299	G296-I299 VanDerWaalsContact O-CG1 3.29Å; G296-I299 WeakPolarHBondContact O-CG1 3.24Å
297	G	98.1	Very high	98.3	Very high	31 Å²	31	23.4 Å²	23.4	32%	0.32	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	-149.4	176.4	0	0	0	0	0	114	I299 K300 H301 S330	G297-I299 VanDerWaalsContact C-N 3.28Å; G297-I299 PolarHBondContact O-N 2.84Å; G297-K300 PolarHBondContact O-N 2.87Å; G297-K300 VanDerWaalsContact O-N 3.14Å; G297-H301 PolarHBondContact O-N 3.37Å; G297-S330 PolarHBondContact N-OG 2.92Å
298	L	97.4	Very high	98.5	Very high	84 Å²	84	18.6 Å²	18.6	44%	0.44	11%	0.109	S	C	.	.	H	α-helix	trans	-56.3	-41	-172	-175.2	64.9	0	0	0	112.7	P247 K300 H301 H302	P247-L298 HydrophobicContact CB-CD1 4.36Å; P247-L298 HydrophobicContact CB-CD2 3.94Å; P247-L298 HydrophobicContact CB-CG 4.31Å; P247-L298 HydrophobicContact CG-CD1 4.49Å; P247-L298 HydrophobicContact CG-CD2 4.16Å; P247-L298 HydrophobicContact CG-CG 4.17Å; L298-K300 VanDerWaalsContact C-N 3.34Å; L298-K300 PolarHBondContact O-N 3.42Å; L298-H301 PolarHBondContact O-N 2.94Å; L298-H302 WeakPolarHBondContact O-CB 3.49Å; L298-H302 PolarHBondContact O-N 3.14Å
299	I	98.5	Very high	98.6	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.015	13%	0.126	C	C	.	.	H	α-helix	trans	-64.2	-39.1	-178.1	63.6	90.5	0	0	0	111.6	A114 T116 V141 T142 V293 G296 G297 T303	A114-I299 HydrophobicContact CB-CB 4.33Å; A114-I299 HydrophobicContact CB-CD1 3.82Å; T116-I299 HydrophobicContact CG2-CD1 4.24Å; T116-I299 HydrophobicContact CG2-CG1 3.93Å; V141-I299 HydrophobicContact CG1-CB 4.3Å; V141-I299 HydrophobicContact CG1-CG2 4.5Å; T142-I299 VanDerWaalsContact CA-CG2 3.44Å; V293-I299 HydrophobicContact CG1-CD1 3.84Å; G296-I299 VanDerWaalsContact O-CG1 3.29Å; G296-I299 WeakPolarHBondContact O-CG1 3.24Å; G297-I299 VanDerWaalsContact C-N 3.28Å; G297-I299 PolarHBondContact O-N 2.84Å; I299-T303 WeakPolarHBondContact O-CB 3.21Å; I299-T303 PolarHBondContact O-N 2.87Å; I299-T303 PolarHBondContact O-OG1 3.32Å
300	K	98.7	Very high	98.5	Very high	5 Å²	5	23.9 Å²	23.9	2%	0.022	13%	0.133	C	C	.	.	H	α-helix	trans	-68.2	-55.4	176.4	172.7	178.3	171.1	-82	0	109.2	V293 G297 L298 H302 T303 F304 L318 D329	V293-K300 HydrophobicContact CG1-CB 3.88Å; V293-K300 HydrophobicContact CG1-CG 4.19Å; G297-K300 PolarHBondContact O-N 2.87Å; G297-K300 VanDerWaalsContact O-N 3.14Å; L298-K300 VanDerWaalsContact C-N 3.34Å; L298-K300 PolarHBondContact O-N 3.42Å; K300-H302 VanDerWaalsContact C-N 3.34Å; K300-H302 PolarHBondContact O-N 3.32Å; K300-T303 PolarHBondContact O-N 2.97Å; K300-F304 HydrophobicContact CG-CD2 4.07Å; K300-F304 HydrophobicContact CG-CE2 4Å; K300-F304 HydrophobicContact CG-CZ 4.47Å; K300-F304 WeakPolarHBondContact O-CB 3.37Å; K300-F304 WeakPolarHBondContact O-CD2 3.45Å; K300-F304 PolarHBondContact O-N 3.16Å; K300-L318 HydrophobicContact CD-CD1 4.22Å; K300-D329 WeakPolarHBondContact CE-O 3.33Å; K300-D329 PolarHBondContact NZ-O 3.15Å; K300-D329 IonicContact NZ-OD1 2.85Å; K300-D329 PolarHBondContact NZ-OD1 2.93Å; K300-D329 IonicContact NZ-OD2 2.74Å; K300-D329 PolarHBondContact NZ-OD2 3.02Å
301	H	98.7	Very high	98.5	Very high	75 Å²	75	30.2 Å²	30.2	35%	0.347	17%	0.166	S	C	.	.	H	α-helix	trans	-61.8	-42.6	-174.4	-171	-86.2	0	0	0	111.8	G297 L298 F304 N305 D329 K342	G297-H301 PolarHBondContact O-N 3.37Å; L298-H301 PolarHBondContact O-N 2.94Å; H301-F304 PolarHBondContact O-N 2.99Å; H301-N305 WeakPolarHBondContact O-CB 3.43Å; H301-N305 PolarHBondContact O-N 3.45Å; H301-D329 IonicContact CD2-OD2 3.44Å; H301-K342 PolarHBondContact CD2-NZ 3.04Å; H301-K342 PolarHBondContact NE2-NZ 3.27Å
302	H	98.7	Very high	98.5	Very high	28 Å²	28	30.2 Å²	30.2	13%	0.13	17%	0.166	C	C	.	.	H	α-helix	trans	-64.9	-41.8	-178.8	-155.9	79.5	0	0	0	112.1	V141 P247 L298 K300 N305 A306	V141-H302 HydrophobicContact CG1-CB 4.34Å; P247-H302 HydrophobicContact CG-CB 4.15Å; L298-H302 WeakPolarHBondContact O-CB 3.49Å; L298-H302 PolarHBondContact O-N 3.14Å; K300-H302 VanDerWaalsContact C-N 3.34Å; K300-H302 PolarHBondContact O-N 3.32Å; H302-N305 PolarHBondContact O-N 3.49Å; H302-A306 PolarHBondContact O-N 2.86Å; H302-A306 VanDerWaalsContact O-N 3.08Å
303	T	98.8	Very high	98.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64	-44.4	176.1	-56.6	0	0	0	0	112.1	F112 A114 V141 M291 I299 K300 N307	F112-T303 HydrophobicContact CB-CG2 3.67Å; F112-T303 HydrophobicContact CD1-CG2 4.19Å; F112-T303 HydrophobicContact CG-CG2 4.18Å; A114-T303 WeakPolarHBondContact CB-OG1 3.38Å; V141-T303 WeakPolarHBondContact CB-OG1 3.44Å; V141-T303 WeakPolarHBondContact CG2-OG1 3.34Å; M291-T303 HydrophobicContact CG-CG2 4.1Å; M291-T303 HydrophobicContact SD-CG2 3.99Å; I299-T303 WeakPolarHBondContact O-CB 3.21Å; I299-T303 PolarHBondContact O-N 2.87Å; I299-T303 PolarHBondContact O-OG1 3.32Å; K300-T303 PolarHBondContact O-N 2.97Å; T303-N307 PolarHBondContact O-N 3.32Å; T303-N307 PolarHBondContact O-ND2 3.08Å
304	F	98.7	Very high	98.5	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-67.9	-40.1	178.8	-83.3	-128.4	0	0	0	111.4	M291 V293 K300 H301 A306 N307 L308 A337 K342 I343	M291-F304 HydrophobicContact CE-CD1 4.11Å; M291-F304 HydrophobicContact CE-CD2 3.81Å; M291-F304 HydrophobicContact CE-CE1 4.02Å; M291-F304 HydrophobicContact CE-CE2 3.71Å; M291-F304 HydrophobicContact CE-CG 4.01Å; M291-F304 HydrophobicContact CE-CZ 3.82Å; M291-F304 HydrophobicContact SD-CD2 3.73Å; M291-F304 HydrophobicContact SD-CE2 4.04Å; M291-F304 HydrophobicContact SD-CG 4.16Å; V293-F304 HydrophobicContact CG2-CD2 4.46Å; V293-F304 HydrophobicContact CG2-CE2 3.79Å; K300-F304 HydrophobicContact CG-CD2 4.07Å; K300-F304 HydrophobicContact CG-CE2 4Å; K300-F304 HydrophobicContact CG-CZ 4.47Å; K300-F304 WeakPolarHBondContact O-CB 3.37Å; K300-F304 WeakPolarHBondContact O-CD2 3.45Å; K300-F304 PolarHBondContact O-N 3.16Å; H301-F304 PolarHBondContact O-N 2.99Å; F304-A306 VanDerWaalsContact C-N 3.34Å; F304-A306 PolarHBondContact O-N 2.86Å; F304-N307 CarbonylContact O-C 3.48Å; F304-N307 PolarHBondContact O-N 3.13Å; F304-N307 VanDerWaalsContact O-N 3.14Å; F304-L308 PolarHBondContact O-N 3.33Å; F304-A337 HydrophobicContact CD1-CB 3.63Å; F304-A337 HydrophobicContact CE1-CB 3.55Å; F304-K342 HydrophobicContact CB-CB 4.16Å; F304-K342 HydrophobicContact CB-CD 4.01Å; F304-K342 HydrophobicContact CB-CG 4.25Å; F304-K342 HydrophobicContact CD1-CB 4.09Å; F304-K342 HydrophobicContact CD1-CD 4.43Å; F304-I343 HydrophobicContact CE1-CD1 3.87Å; F304-I343 HydrophobicContact CE1-CG1 4.25Å; F304-I343 HydrophobicContact CZ-CD1 4.38Å
305	N	98.7	Very high	98.5	Very high	53 Å²	53	33.6 Å²	33.6	28%	0.283	18%	0.181	S	C	.	.	H	α-helix	trans	-69.1	-30.6	-179.7	-162.3	66.6	0	0	0	112.7	H301 H302 N307 L308	H301-N305 WeakPolarHBondContact O-CB 3.43Å; H301-N305 PolarHBondContact O-N 3.45Å; H302-N305 PolarHBondContact O-N 3.49Å; N305-N307 VanDerWaalsContact C-N 3.34Å; N305-L308 WeakPolarHBondContact O-CB 3.31Å; N305-L308 PolarHBondContact O-N 3.45Å
306	A	98.8	Very high	98.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.4	-42.4	169.1	0	0	0	0	0	111.2	I279 N280 A283 H302 F304 L308 M309	I279-A306 HydrophobicContact CD1-CB 4.19Å; I279-A306 HydrophobicContact CG1-CB 3.92Å; I279-A306 HydrophobicContact CG2-CB 4.39Å; N280-A306 WeakPolarHBondContact OD1-CA 3.31Å; A283-A306 HydrophobicContact CB-CB 4.22Å; A283-A306 WeakPolarHBondContact CB-O 3.36Å; H302-A306 PolarHBondContact O-N 2.86Å; H302-A306 VanDerWaalsContact O-N 3.08Å; F304-A306 VanDerWaalsContact C-N 3.34Å; F304-A306 PolarHBondContact O-N 2.86Å; A306-L308 VanDerWaalsContact C-N 3.31Å; A306-L308 PolarHBondContact O-N 3.11Å; A306-M309 VanDerWaalsContact O-CB 3.32Å; A306-M309 WeakPolarHBondContact O-CB 3.28Å; A306-M309 PolarHBondContact O-N 3.39Å; A306-M309 VanDerWaalsContact O-N 3.15Å
307	N	98.8	Very high	98.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-73	-19.9	179.5	-79.2	-83.8	0	0	0	114	T289 M291 T303 F304 N305 M309 R310 G312 A313	T289-N307 WeakPolarHBondContact CB-OD1 3.22Å; T289-N307 WeakPolarHBondContact CG2-OD1 3.29Å; T289-N307 PolarHBondContact OG1-OD1 2.87Å; M291-N307 HydrophobicContact SD-CB 3.96Å; M291-N307 PolarHBondContact SD-ND2 3.33Å; T303-N307 PolarHBondContact O-N 3.32Å; T303-N307 PolarHBondContact O-ND2 3.08Å; F304-N307 CarbonylContact O-C 3.48Å; F304-N307 PolarHBondContact O-N 3.13Å; F304-N307 VanDerWaalsContact O-N 3.14Å; N305-N307 VanDerWaalsContact C-N 3.34Å; N307-M309 PolarHBondContact O-N 3.18Å; N307-R310 WeakPolarHBondContact O-CG 3.21Å; N307-R310 PolarHBondContact O-N 3.22Å; N307-G312 VanDerWaalsContact O-CA 3.26Å; N307-G312 WeakPolarHBondContact O-CA 3.44Å; N307-G312 PolarHBondContact O-N 2.71Å; N307-A313 HydrophobicContact CB-CB 4.21Å
308	L	98.6	Very high	98.5	Very high	51 Å²	51	30.8 Å²	30.8	27%	0.267	15%	0.152	S	C	.	.	H	α-helix	trans	-56.6	-37.8	166.9	175.3	58.3	0	0	0	111.7	F304 N305 A306 R310 N311 W340 K342	F304-L308 PolarHBondContact O-N 3.33Å; N305-L308 WeakPolarHBondContact O-CB 3.31Å; N305-L308 PolarHBondContact O-N 3.45Å; A306-L308 VanDerWaalsContact C-N 3.31Å; A306-L308 PolarHBondContact O-N 3.11Å; L308-R310 PolarHBondContact O-N 3.25Å; L308-N311 PolarHBondContact O-N 2.92Å; L308-W340 WeakPolarHBondContact CD1-O 3.43Å; L308-K342 HydrophobicContact CB-CG 4.06Å
309	M	98.2	Very high	98.6	Very high	90 Å²	90	27.2 Å²	27.2	44%	0.443	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.7	-176.1	-58.2	-63.6	166.1	0	0	113.9	N280 I284 A306 N307	N280-M309 HydrophobicContact CB-CG 4.14Å; I284-M309 HydrophobicContact CD1-CB 3.97Å; I284-M309 HydrophobicContact CG1-CB 3.69Å; A306-M309 VanDerWaalsContact O-CB 3.32Å; A306-M309 WeakPolarHBondContact O-CB 3.28Å; A306-M309 PolarHBondContact O-N 3.39Å; A306-M309 VanDerWaalsContact O-N 3.15Å; N307-M309 PolarHBondContact O-N 3.18Å
310	R	97.4	Very high	98.6	Very high	37 Å²	37	27.3 Å²	27.3	14%	0.14	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	18.2	175.1	66.1	178.2	-47.6	-91.4	7.4	113.4	A283 A286 R287 T289 N307 L308 G312 D314	A283-R310 WeakPolarHBondContact O-CD 3.41Å; A283-R310 PolarHBondContact O-NE 3.15Å; A286-R310 PolarHBondContact O-NH2 3.09Å; R287-R310 PolarHBondContact O-NH2 2.79Å; T289-R310 PolarHBondContact OG1-NH1 2.82Å; N307-R310 WeakPolarHBondContact O-CG 3.21Å; N307-R310 PolarHBondContact O-N 3.22Å; L308-R310 PolarHBondContact O-N 3.25Å; R310-G312 VanDerWaalsContact C-N 3.29Å; R310-G312 PolarHBondContact NH1-O 3.02Å; R310-G312 PolarHBondContact O-N 3.38Å; R310-D314 IonicContact CZ-OD2 3.4Å; R310-D314 IonicContact NH1-OD2 2.99Å; R310-D314 PolarHBondContact NH1-OD2 3.27Å; R310-D314 IonicContact NH2-OD2 3.57Å; R310-D314 PolarHBondContact NH2-OD2 3.07Å
311	N	98	Very high	98.6	Very high	132 Å²	132	31.7 Å²	31.7	71%	0.706	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	37.2	-171.7	-67.9	-43.1	0	0	0	113.8	L308 G341 K344	L308-N311 PolarHBondContact O-N 2.92Å; N311-G341 CarbonylContact C-O 3.58Å; N311-K344 WeakPolarHBondContact O-CG 3.28Å
312	G	98.4	Very high	98.5	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	105.3	157.4	166.2	0	0	0	0	0	114.8	N307 R310 G341 K342 K344	N307-G312 VanDerWaalsContact O-CA 3.26Å; N307-G312 WeakPolarHBondContact O-CA 3.44Å; N307-G312 PolarHBondContact O-N 2.71Å; R310-G312 VanDerWaalsContact C-N 3.29Å; R310-G312 PolarHBondContact NH1-O 3.02Å; R310-G312 PolarHBondContact O-N 3.38Å; G312-G341 WeakPolarHBondContact CA-O 3.32Å; G312-G341 PolarHBondContact N-O 2.88Å; G312-K342 WeakPolarHBondContact CA-O 3.45Å; G312-K344 WeakPolarHBondContact O-CE 3.11Å
313	A	98.6	Very high	98.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-73.8	149.6	172	0	0	0	0	0	112.4	T289 M291 N307 K342 K344	T289-A313 WeakPolarHBondContact OG1-CA 3.48Å; M291-A313 HydrophobicContact CE-CB 3.57Å; M291-A313 HydrophobicContact CG-CB 3.9Å; M291-A313 HydrophobicContact SD-CB 3.99Å; N307-A313 HydrophobicContact CB-CB 4.21Å; A313-K342 PolarHBondContact N-O 2.83Å; A313-K342 VanDerWaalsContact N-O 3.08Å; A313-K344 WeakPolarHBondContact O-CB 3.5Å; A313-K344 WeakPolarHBondContact O-CG 3.29Å; A313-K344 PolarHBondContact O-N 3.44Å
314	D	98.6	Very high	98.5	Very high	33 Å²	33	37.2 Å²	37.2	18%	0.176	19%	0.192	C	C	.	.	S	Bend	trans	-81.3	-31.9	176.6	-59.2	-87.9	0	0	0	111.6	T288 T289 R310 K344 A347	T288-D314 WeakPolarHBondContact CA-OD2 3.48Å; T288-D314 WeakPolarHBondContact CB-OD2 3.37Å; T289-D314 PolarHBondContact N-OD2 3.22Å; T289-D314 PolarHBondContact O-N 3.49Å; R310-D314 IonicContact CZ-OD2 3.4Å; R310-D314 IonicContact NH1-OD2 2.99Å; R310-D314 PolarHBondContact NH1-OD2 3.27Å; R310-D314 IonicContact NH2-OD2 3.57Å; R310-D314 PolarHBondContact NH2-OD2 3.07Å; D314-K344 WeakPolarHBondContact OD1-CD 3.27Å; D314-K344 WeakPolarHBondContact OD1-CE 3.47Å; D314-K344 IonicContact OD1-NZ 3.53Å; D314-K344 PolarHBondContact OD1-NZ 3.47Å; D314-K344 IonicContact OD2-NZ 3.46Å; D314-A347 WeakPolarHBondContact O-CB 3.4Å
315	Y	98.7	Very high	98.4	Very high	53 Å²	53	45.8 Å²	45.8	21%	0.208	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	143.8	179.9	-49.5	-84.8	0	0	0	110.6	V72 E75 M76 K79 T289 G290 M291	V72-Y315 HydrophobicContact CG1-CD1 4.43Å; E75-Y315 HydrophobicContact CB-CE1 4.17Å; M76-Y315 HydrophobicContact CE-CG 4.47Å; M76-Y315 HydrophobicContact CG-CD1 4.38Å; M76-Y315 HydrophobicContact CG-CD2 3.94Å; M76-Y315 HydrophobicContact CG-CG 3.72Å; K79-Y315 HydrophobicContact CG-CE2 4.47Å; T289-Y315 PolarHBondContact O-N 3.33Å; T289-Y315 VanDerWaalsContact O-N 3.11Å; G290-Y315 WeakPolarHBondContact CA-O 3.19Å; M291-Y315 PolarHBondContact N-O 3.1Å
316	C	98.7	Very high	98.4	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	127	177.1	-178.2	0	0	0	0	111.9	M291 I343 P349 V350	M291-C316 HydrophobicContact CE-CB 4.17Å; M291-C316 CarbonylContact O-C 3.58Å; M291-C316 WeakPolarHBondContact O-CA 3.46Å; C316-I343 HydrophobicContact CB-CD1 3.86Å; C316-I343 HydrophobicContact CB-CG1 4.38Å; C316-P349 HydrophobicContact CB-CB 3.91Å; C316-P349 WeakPolarHBondContact O-CA 3.33Å; C316-V350 PolarHBondContact O-N 2.85Å
317	V	98.7	Very high	98.3	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	122.3	171	173.9	0	0	0	0	107.8	A69 V72 L73 M76 M291 I292 V293 I319 V350	A69-V317 HydrophobicContact CB-CG1 3.82Å; A69-V317 HydrophobicContact CB-CG2 4.22Å; V72-V317 HydrophobicContact CB-CG2 4Å; V72-V317 HydrophobicContact CG1-CG2 3.64Å; L73-V317 HydrophobicContact CD2-CB 4.31Å; L73-V317 HydrophobicContact CD2-CG2 3.99Å; L73-V317 HydrophobicContact CG-CG2 4.04Å; M76-V317 HydrophobicContact CE-CG2 4.2Å; M291-V317 PolarHBondContact O-N 3.38Å; I292-V317 WeakPolarHBondContact CA-O 3.31Å; V293-V317 PolarHBondContact N-O 3Å; V317-I319 HydrophobicContact CG1-CG1 4.3Å; V317-V350 CarbonylContact C-O 3.6Å; V317-V350 WeakPolarHBondContact CA-O 3.24Å
318	L	98.7	Very high	98.3	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.9	179.9	-177.6	65.2	0	0	0	109.2	V293 K300 V350 K351 I352	V293-L318 HydrophobicContact CB-CD1 3.67Å; V293-L318 HydrophobicContact CG1-CD1 3.63Å; V293-L318 WeakPolarHBondContact O-CA 3.39Å; K300-L318 HydrophobicContact CD-CD1 4.22Å; L318-V350 PolarHBondContact N-O 2.87Å; L318-K351 HydrophobicContact CB-CB 4.37Å; L318-K351 HydrophobicContact CB-CG 4.33Å; L318-K351 HydrophobicContact CD2-CD 4.03Å; L318-K351 HydrophobicContact CD2-CG 4.01Å; L318-K351 HydrophobicContact CG-CG 4.24Å; L318-K351 CarbonylContact O-C 3.11Å; L318-K351 VanDerWaalsContact O-CA 3.26Å; L318-K351 WeakPolarHBondContact O-CA 3.45Å; L318-I352 PolarHBondContact O-N 2.77Å
319	I	98.8	Very high	98.2	Very high	8 Å²	8	52.5 Å²	52.5	4%	0.041	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	105.4	174.5	-51.6	178.7	0	0	0	107.2	V293 L294 G295 V317 I352 A356 I359 F360	V293-I319 PolarHBondContact O-N 3.25Å; L294-I319 CarbonylContact C-O 3.57Å; L294-I319 WeakPolarHBondContact CA-O 3.12Å; L294-I319 HydrophobicContact CD2-CB 4.03Å; L294-I319 HydrophobicContact CD2-CD1 3.9Å; L294-I319 HydrophobicContact CD2-CG1 4.19Å; G295-I319 PolarHBondContact N-O 2.87Å; V317-I319 HydrophobicContact CG1-CG1 4.3Å; I319-I352 HydrophobicContact CD1-CD1 4.33Å; I319-I352 HydrophobicContact CG1-CB 4.35Å; I319-I352 HydrophobicContact CG1-CD1 4.18Å; I319-I352 HydrophobicContact CG1-CG1 4.49Å; I319-I352 HydrophobicContact CG2-CB 4.45Å; I319-A356 HydrophobicContact CB-CB 4.45Å; I319-A356 HydrophobicContact CG2-CB 3.86Å; I319-I359 HydrophobicContact CD1-CG2 4.05Å; I319-I359 HydrophobicContact CG2-CB 4.33Å; I319-F360 HydrophobicContact CD1-CB 4.49Å; I319-F360 HydrophobicContact CD1-CD2 4.17Å
320	N	98.6	Very high	98.2	Very high	6 Å²	6	50.1 Å²	50.1	3%	0.032	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	171.4	178.9	75.7	31.7	0	0	0	112.6	G295 G322 S330 K351 I352 N353 A354	G295-N320 VanDerWaalsContact O-CB 3.3Å; G295-N320 WeakPolarHBondContact O-CB 3.4Å; G295-N320 PolarHBondContact O-ND2 2.86Å; G295-N320 VanDerWaalsContact O-ND2 3.12Å; N320-G322 PolarHBondContact OD1-N 2.89Å; N320-S330 PolarHBondContact ND2-O 2.71Å; N320-K351 WeakPolarHBondContact OD1-CE 3.48Å; N320-K351 PolarHBondContact OD1-NZ 3.27Å; N320-I352 PolarHBondContact N-O 3.25Å; N320-I352 VanDerWaalsContact N-O 3.16Å; N320-N353 VanDerWaalsContact O-CA 3.3Å; N320-N353 WeakPolarHBondContact O-CA 3.24Å; N320-A354 CarbonylContact C-O 3.6Å; N320-A354 PolarHBondContact O-N 3.19Å
321	T	98.7	Very high	98.2	Very high	97 Å²	97	48.4 Å²	48.4	60%	0.595	27%	0.27	S	S	*	.			trans	-105.1	0.4	-179	53.1	0	0	0	0	113.2	Q323 A354	T321-Q323 PolarHBondContact O-NE2 3.15Å; T321-A354 WeakPolarHBondContact CG2-O 3.41Å
322	G	98.3	Very high	98.2	Very high	19 Å²	19	42.3 Å²	42.3	20%	0.196	24%	0.238	C	C	.	.			trans	-70.5	143.8	-176.7	0	0	0	0	0	112.6	N320 G331 K351	N320-G322 PolarHBondContact OD1-N 2.89Å; G322-G331 VanDerWaalsContact C-CA 3.44Å; G322-K351 PolarHBondContact O-NZ 3.35Å
323	Q	98.2	Very high	98.2	Very high	93 Å²	93	48.7 Å²	48.7	44%	0.435	26%	0.263	S	S	.	.			trans	-115.2	147.9	-176.8	-58.4	-58.5	-37.8	0	0	111.1	T321 F325 G331	T321-Q323 PolarHBondContact O-NE2 3.15Å; Q323-F325 HydrophobicContact CB-CD1 3.58Å; Q323-F325 HydrophobicContact CB-CE1 3.51Å; Q323-F325 HydrophobicContact CG-CD1 4.49Å; Q323-F325 HydrophobicContact CG-CE1 4.09Å; Q323-F325 PolarHBondContact O-N 2.86Å; Q323-G331 WeakPolarHBondContact O-CA 3.23Å
324	E	97.6	Very high	98.1	Very high	107 Å²	107	49.3 Å²	49.3	50%	0.5	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-75.3	-19.9	-172	68	-179.5	172.1	0	0	114.9	D326 G327 R333	E324-D326 PolarHBondContact O-N 3.25Å; E324-D326 VanDerWaalsContact O-N 3.12Å; E324-G327 PolarHBondContact O-N 2.9Å; E324-G327 VanDerWaalsContact O-N 3.13Å; E324-R333 WeakPolarHBondContact OE2-CD 3.45Å; E324-R333 IonicContact OE2-CZ 3.83Å; E324-R333 IonicContact OE2-NE 3.75Å; E324-R333 PolarHBondContact OE2-NE 3.43Å; E324-R333 IonicContact OE2-NH2 2.69Å
325	F	97.5	Very high	98.1	Very high	180 Å²	180	52.8 Å²	52.8	79%	0.789	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-66.9	-18.4	-167.3	70.2	-99.9	0	0	0	114.5	Q323	Q323-F325 HydrophobicContact CB-CD1 3.58Å; Q323-F325 HydrophobicContact CB-CE1 3.51Å; Q323-F325 HydrophobicContact CG-CD1 4.49Å; Q323-F325 HydrophobicContact CG-CE1 4.09Å; Q323-F325 PolarHBondContact O-N 2.86Å
326	D	98	Very high	98	Very high	99 Å²	99	54.3 Å²	54.3	53%	0.529	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-93.1	-2.1	-179.8	68.1	7.7	0	0	0	113.5	E324 S328	E324-D326 PolarHBondContact O-N 3.25Å; E324-D326 VanDerWaalsContact O-N 3.12Å; D326-S328 VanDerWaalsContact C-N 3.26Å; D326-S328 PolarHBondContact O-N 3.22Å; D326-S328 WeakPolarHBondContact OD1-CB 3.14Å; D326-S328 PolarHBondContact OD1-N 3Å; D326-S328 PolarHBondContact OD1-OG 3.06Å
327	G	97.4	Very high	98	Very high	68 Å²	68	54.6 Å²	54.6	70%	0.701	30%	0.297	S	S	*	.			trans	70.3	16.7	-178.8	0	0	0	0	0	114.5	E324	E324-G327 PolarHBondContact O-N 2.9Å; E324-G327 VanDerWaalsContact O-N 3.13Å
328	S	98.2	Very high	98	Very high	34 Å²	34	56.4 Å²	56.4	24%	0.238	31%	0.307	C	S	.	.			trans	-78	141.2	178.9	67.8	0	0	0	0	112.7	D326 S330 G331 A332	D326-S328 VanDerWaalsContact C-N 3.26Å; D326-S328 PolarHBondContact O-N 3.22Å; D326-S328 WeakPolarHBondContact OD1-CB 3.14Å; D326-S328 PolarHBondContact OD1-N 3Å; D326-S328 PolarHBondContact OD1-OG 3.06Å; S328-S330 PolarHBondContact O-N 2.83Å; S328-G331 PolarHBondContact O-N 2.7Å; S328-G331 VanDerWaalsContact O-N 3.1Å; S328-G331 PolarHBondContact OG-N 2.94Å; S328-A332 PolarHBondContact O-N 2.96Å
329	D	98.1	Very high	97.9	Very high	45 Å²	45	60.9 Å²	60.9	24%	0.241	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-37	169.3	176.7	-88.3	0	0	0	110.6	K300 H301 G331 A332	K300-D329 WeakPolarHBondContact CE-O 3.33Å; K300-D329 PolarHBondContact NZ-O 3.15Å; K300-D329 IonicContact NZ-OD1 2.85Å; K300-D329 PolarHBondContact NZ-OD1 2.93Å; K300-D329 IonicContact NZ-OD2 2.74Å; K300-D329 PolarHBondContact NZ-OD2 3.02Å; H301-D329 IonicContact CD2-OD2 3.44Å; D329-G331 VanDerWaalsContact C-N 3.29Å; D329-G331 PolarHBondContact O-N 3.15Å; D329-A332 WeakPolarHBondContact O-CB 3.02Å; D329-A332 PolarHBondContact O-N 3.47Å
330	S	97.9	Very high	97.9	Very high	40 Å²	40	68.1 Å²	68.1	28%	0.28	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-40.9	176.8	-62.8	0	0	0	0	113	G297 N320 S328	G297-S330 PolarHBondContact N-OG 2.92Å; N320-S330 PolarHBondContact ND2-O 2.71Å; S328-S330 PolarHBondContact O-N 2.83Å
331	G	97.6	Very high	97.8	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-19.5	-177.5	0	0	0	0	0	115.1	G322 Q323 S328 D329 K351	G322-G331 VanDerWaalsContact C-CA 3.44Å; Q323-G331 WeakPolarHBondContact O-CA 3.23Å; S328-G331 PolarHBondContact O-N 2.7Å; S328-G331 VanDerWaalsContact O-N 3.1Å; S328-G331 PolarHBondContact OG-N 2.94Å; D329-G331 VanDerWaalsContact C-N 3.29Å; D329-G331 PolarHBondContact O-N 3.15Å; G331-K351 PolarHBondContact O-NZ 3.13Å
332	A	97.4	Very high	97.8	Very high	4 Å²	4	64.8 Å²	64.8	3%	0.033	35%	0.349	C	S	.	.			trans	-48.1	138.7	-178.7	0	0	0	0	0	113.4	S328 D329 E336	S328-A332 PolarHBondContact O-N 2.96Å; D329-A332 WeakPolarHBondContact O-CB 3.02Å; D329-A332 PolarHBondContact O-N 3.47Å; A332-E336 HydrophobicContact CB-CB 4.25Å; A332-E336 VanDerWaalsContact CB-OE2 3.23Å; A332-E336 WeakPolarHBondContact CB-OE2 3.35Å
333	R	97.8	Very high	97.8	Very high	135 Å²	135	63.9 Å²	63.9	51%	0.509	34%	0.34	S	S	.	.			trans	-71.7	153.5	171	-68.7	-172.9	-70.8	141.9	4.3	109.9	E324 D335 E336	E324-R333 WeakPolarHBondContact OE2-CD 3.45Å; E324-R333 IonicContact OE2-CZ 3.83Å; E324-R333 IonicContact OE2-NE 3.75Å; E324-R333 PolarHBondContact OE2-NE 3.43Å; E324-R333 IonicContact OE2-NH2 2.69Å; R333-D335 PolarHBondContact O-N 2.68Å; R333-D335 VanDerWaalsContact O-N 3.12Å; R333-E336 WeakPolarHBondContact O-CB 3.43Å; R333-E336 PolarHBondContact O-N 2.81Å
334	P	97.7	Very high	97.8	Very high	13 Å²	13	62.8 Å²	62.8	8%	0.084	33%	0.334	C	S	.	.	H	α-helix	trans	-57.1	-28.7	178	-25.6	34.4	0	0	0	114.4	E336 A337 V338 I343 P349 K351	P334-E336 PolarHBondContact O-N 2.78Å; P334-A337 WeakPolarHBondContact O-CA 3.27Å; P334-A337 WeakPolarHBondContact O-CB 3.43Å; P334-A337 PolarHBondContact O-N 3.13Å; P334-V338 PolarHBondContact O-N 3.12Å; P334-V338 VanDerWaalsContact O-N 3.12Å; P334-I343 HydrophobicContact CB-CD1 4Å; P334-P349 HydrophobicContact CB-CB 3.51Å; P334-P349 HydrophobicContact CB-CG 3.61Å; P334-P349 HydrophobicContact CG-CB 4.21Å; P334-K351 HydrophobicContact CG-CB 3.87Å
335	D	97.5	Very high	97.7	Very high	106 Å²	106	60.9 Å²	60.9	57%	0.567	34%	0.342	S	S	*	.	H	α-helix	trans	-60.4	-31.7	176.2	-168	52.5	0	0	0	112.9	R333 A337 V338 S339	R333-D335 PolarHBondContact O-N 2.68Å; R333-D335 VanDerWaalsContact O-N 3.12Å; D335-A337 VanDerWaalsContact C-N 3.33Å; D335-A337 PolarHBondContact O-N 2.88Å; D335-V338 WeakPolarHBondContact O-CB 3.35Å; D335-V338 PolarHBondContact O-N 3.4Å; D335-S339 PolarHBondContact O-N 3.32Å
336	E	97.8	Very high	97.5	Very high	84 Å²	84	60.6 Å²	60.6	39%	0.393	35%	0.348	S	S	.	.	H	α-helix	trans	-62.8	-42.8	171.3	-170.4	-175.7	132.4	0	0	110.6	A332 R333 P334 V338 S339	A332-E336 HydrophobicContact CB-CB 4.25Å; A332-E336 VanDerWaalsContact CB-OE2 3.23Å; A332-E336 WeakPolarHBondContact CB-OE2 3.35Å; R333-E336 WeakPolarHBondContact O-CB 3.43Å; R333-E336 PolarHBondContact O-N 2.81Å; P334-E336 PolarHBondContact O-N 2.78Å; E336-V338 VanDerWaalsContact C-N 3.26Å; E336-V338 PolarHBondContact O-N 2.65Å; E336-S339 WeakPolarHBondContact O-CB 3.18Å; E336-S339 PolarHBondContact O-N 2.86Å; E336-S339 PolarHBondContact O-OG 3.16Å
337	A	97.8	Very high	97.4	Very high	7 Å²	7	56.9 Å²	56.9	6%	0.058	33%	0.331	C	S	.	.	H	α-helix	trans	-66.3	-26.4	177.6	0	0	0	0	0	113.2	F304 P334 D335 S339 W340 G341 K342 I343	F304-A337 HydrophobicContact CD1-CB 3.63Å; F304-A337 HydrophobicContact CE1-CB 3.55Å; P334-A337 WeakPolarHBondContact O-CA 3.27Å; P334-A337 WeakPolarHBondContact O-CB 3.43Å; P334-A337 PolarHBondContact O-N 3.13Å; D335-A337 VanDerWaalsContact C-N 3.33Å; D335-A337 PolarHBondContact O-N 2.88Å; A337-S339 VanDerWaalsContact C-N 3.34Å; A337-W340 PolarHBondContact O-N 3.21Å; A337-G341 PolarHBondContact O-N 3.1Å; A337-K342 HydrophobicContact CB-CB 4.1Å; A337-K342 WeakPolarHBondContact O-CB 3.4Å; A337-K342 PolarHBondContact O-N 3.06Å; A337-I343 HydrophobicContact CB-CD1 3.86Å; A337-I343 HydrophobicContact CB-CG1 4.03Å; A337-I343 PolarHBondContact O-N 2.69Å
338	V	98	Very high	97.2	Very high	38 Å²	38	61 Å²	61	23%	0.23	33%	0.332	C	S	.	.	H	α-helix	trans	-63.5	-41.6	170.4	177	0	0	0	0	110.5	P334 D335 E336 W340 G341 I343	P334-V338 PolarHBondContact O-N 3.12Å; P334-V338 VanDerWaalsContact O-N 3.12Å; D335-V338 WeakPolarHBondContact O-CB 3.35Å; D335-V338 PolarHBondContact O-N 3.4Å; E336-V338 VanDerWaalsContact C-N 3.26Å; E336-V338 PolarHBondContact O-N 2.65Å; V338-W340 PolarHBondContact O-N 3.37Å; V338-G341 PolarHBondContact O-N 3.43Å; V338-I343 HydrophobicContact CG2-CB 3.88Å; V338-I343 HydrophobicContact CG2-CG2 3.9Å
339	S	97.5	Very high	97.2	Very high	95 Å²	95	61.2 Å²	61.2	66%	0.664	33%	0.333	S	S	*	.	H	α-helix	trans	-59.8	-30.8	179	80.4	0	0	0	0	113.6	D335 E336 A337	D335-S339 PolarHBondContact O-N 3.32Å; E336-S339 WeakPolarHBondContact O-CB 3.18Å; E336-S339 PolarHBondContact O-N 2.86Å; E336-S339 PolarHBondContact O-OG 3.16Å; A337-S339 VanDerWaalsContact C-N 3.34Å
340	W	97.8	Very high	97.2	Very high	160 Å²	160	59.7 Å²	59.7	61%	0.606	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-13.2	176.6	-68.2	98.6	0	0	0	113.7	L308 A337 V338 K342	L308-W340 WeakPolarHBondContact CD1-O 3.43Å; A337-W340 PolarHBondContact O-N 3.21Å; V338-W340 PolarHBondContact O-N 3.37Å; W340-K342 VanDerWaalsContact C-N 3.31Å; W340-K342 HydrophobicContact CB-CD 3.88Å; W340-K342 HydrophobicContact CB-CG 3.96Å; W340-K342 HydrophobicContact CG-CD 4.32Å
341	G	97.8	Very high	97.3	Very high	22 Å²	22	58.6 Å²	58.6	23%	0.227	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	16.8	-168.3	0	0	0	0	0	113.9	N311 G312 A337 V338 I343	N311-G341 CarbonylContact C-O 3.58Å; G312-G341 WeakPolarHBondContact CA-O 3.32Å; G312-G341 PolarHBondContact N-O 2.88Å; A337-G341 PolarHBondContact O-N 3.1Å; V338-G341 PolarHBondContact O-N 3.43Å; G341-I343 VanDerWaalsContact C-N 3.33Å
342	K	98.6	Very high	97.3	Very high	11 Å²	11	58.7 Å²	58.7	5%	0.048	32%	0.316	C	S	.	.	S	Bend	trans	-76.2	-24.8	173.1	-69.3	164.8	169.2	-177.6	0	111.5	H301 F304 L308 G312 A313 A337 W340	H301-K342 PolarHBondContact CD2-NZ 3.04Å; H301-K342 PolarHBondContact NE2-NZ 3.27Å; F304-K342 HydrophobicContact CB-CB 4.16Å; F304-K342 HydrophobicContact CB-CD 4.01Å; F304-K342 HydrophobicContact CB-CG 4.25Å; F304-K342 HydrophobicContact CD1-CB 4.09Å; F304-K342 HydrophobicContact CD1-CD 4.43Å; L308-K342 HydrophobicContact CB-CG 4.06Å; G312-K342 WeakPolarHBondContact CA-O 3.45Å; A313-K342 PolarHBondContact N-O 2.83Å; A313-K342 VanDerWaalsContact N-O 3.08Å; A337-K342 HydrophobicContact CB-CB 4.1Å; A337-K342 WeakPolarHBondContact O-CB 3.4Å; A337-K342 PolarHBondContact O-N 3.06Å; W340-K342 VanDerWaalsContact C-N 3.31Å; W340-K342 HydrophobicContact CB-CD 3.88Å; W340-K342 HydrophobicContact CB-CG 3.96Å; W340-K342 HydrophobicContact CG-CD 4.32Å
343	I	98.6	Very high	97.4	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-124.7	142.2	170.2	-62.1	176.5	0	0	0	107.7	M291 F304 C316 P334 A337 V338 G341 A347 P349	M291-I343 HydrophobicContact CE-CD1 4.35Å; M291-I343 HydrophobicContact CE-CG1 3.82Å; F304-I343 HydrophobicContact CE1-CD1 3.87Å; F304-I343 HydrophobicContact CE1-CG1 4.25Å; F304-I343 HydrophobicContact CZ-CD1 4.38Å; C316-I343 HydrophobicContact CB-CD1 3.86Å; C316-I343 HydrophobicContact CB-CG1 4.38Å; P334-I343 HydrophobicContact CB-CD1 4Å; A337-I343 HydrophobicContact CB-CD1 3.86Å; A337-I343 HydrophobicContact CB-CG1 4.03Å; A337-I343 PolarHBondContact O-N 2.69Å; V338-I343 HydrophobicContact CG2-CB 3.88Å; V338-I343 HydrophobicContact CG2-CG2 3.9Å; G341-I343 VanDerWaalsContact C-N 3.33Å; I343-A347 HydrophobicContact CG2-CB 3.72Å; I343-P349 HydrophobicContact CD1-CB 4.04Å; I343-P349 HydrophobicContact CG2-CB 4.4Å; I343-P349 HydrophobicContact CG2-CG 4.38Å
344	K	98	Very high	97.4	Very high	70 Å²	70	55.8 Å²	55.8	30%	0.304	31%	0.313	S	S	.	.			trans	-66.6	144.2	177.6	-73.8	-178.5	178.3	-178.1	0	111.3	N311 G312 A313 D314 L346 A347	N311-K344 WeakPolarHBondContact O-CG 3.28Å; G312-K344 WeakPolarHBondContact O-CE 3.11Å; A313-K344 WeakPolarHBondContact O-CB 3.5Å; A313-K344 WeakPolarHBondContact O-CG 3.29Å; A313-K344 PolarHBondContact O-N 3.44Å; D314-K344 WeakPolarHBondContact OD1-CD 3.27Å; D314-K344 WeakPolarHBondContact OD1-CE 3.47Å; D314-K344 IonicContact OD1-NZ 3.53Å; D314-K344 PolarHBondContact OD1-NZ 3.47Å; D314-K344 IonicContact OD2-NZ 3.46Å; K344-L346 PolarHBondContact O-N 3.46Å; K344-L346 VanDerWaalsContact O-N 3.15Å; K344-A347 HydrophobicContact CB-CB 4.32Å; K344-A347 VanDerWaalsContact O-CB 3.31Å; K344-A347 WeakPolarHBondContact O-CB 3.2Å; K344-A347 PolarHBondContact O-N 3.32Å
345	G	94.4	Very high	97.4	Very high	66 Å²	66	58.8 Å²	58.8	68%	0.68	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.1	-179.6	0	0	0	0	0	115.8
346	L	93.1	Very high	97.5	Very high	175 Å²	175	54 Å²	54	92%	0.916	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	2.5	175.1	-62.1	177.9	0	0	0	113.2	K344	K344-L346 PolarHBondContact O-N 3.46Å; K344-L346 VanDerWaalsContact O-N 3.15Å
347	A	95.6	Very high	97.5	Very high	21 Å²	21	51.6 Å²	51.6	17%	0.174	30%	0.296	C	S	.	.			trans	-74.2	154.4	175.7	0	0	0	0	0	110.4	D314 I343 K344 P349	D314-A347 WeakPolarHBondContact O-CB 3.4Å; I343-A347 HydrophobicContact CG2-CB 3.72Å; K344-A347 HydrophobicContact CB-CB 4.32Å; K344-A347 VanDerWaalsContact O-CB 3.31Å; K344-A347 WeakPolarHBondContact O-CB 3.2Å; K344-A347 PolarHBondContact O-N 3.32Å; A347-P349 WeakPolarHBondContact O-CD 3.45Å
348	E	94.9	Very high	97.5	Very high	154 Å²	154	56.8 Å²	56.8	72%	0.72	32%	0.322	S	S	*	.			trans	-108	75.5	173.4	-64.4	-173.9	170.9	0	0	109.7
349	P	97.9	Very high	97.5	Very high	39 Å²	39	56.7 Å²	56.7	25%	0.253	32%	0.32	S	S	.	.			trans	-72.4	142.5	-176.9	32.6	-38	0	0	0	111.6	C316 P334 I343 A347	C316-P349 HydrophobicContact CB-CB 3.91Å; C316-P349 WeakPolarHBondContact O-CA 3.33Å; P334-P349 HydrophobicContact CB-CB 3.51Å; P334-P349 HydrophobicContact CB-CG 3.61Å; P334-P349 HydrophobicContact CG-CB 4.21Å; I343-P349 HydrophobicContact CD1-CB 4.04Å; I343-P349 HydrophobicContact CG2-CB 4.4Å; I343-P349 HydrophobicContact CG2-CG 4.38Å; A347-P349 WeakPolarHBondContact O-CD 3.45Å
350	V	98.5	Very high	97.5	Very high	12 Å²	12	53.2 Å²	53.2	7%	0.073	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.9	-178.8	-175.6	0	0	0	0	110.1	H65 K68 A69 V72 C316 V317 L318	H65-V350 HydrophobicContact CB-CG1 4.3Å; H65-V350 VanDerWaalsContact O-CG1 3.28Å; H65-V350 WeakPolarHBondContact O-CG1 3.45Å; K68-V350 HydrophobicContact CB-CG1 4.15Å; K68-V350 HydrophobicContact CB-CG2 3.86Å; A69-V350 HydrophobicContact CB-CB 4.41Å; A69-V350 HydrophobicContact CB-CG1 3.96Å; V72-V350 HydrophobicContact CG2-CG2 3.93Å; C316-V350 PolarHBondContact O-N 2.85Å; V317-V350 CarbonylContact C-O 3.6Å; V317-V350 WeakPolarHBondContact CA-O 3.24Å; L318-V350 PolarHBondContact N-O 2.87Å
351	K	98.6	Very high	97.3	Very high	17 Å²	17	51 Å²	51	7%	0.074	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.7	170	-177.5	-178.3	-177.2	-169.6	0	110.1	H65 L318 N320 G322 G331 P334 N353	H65-K351 PolarHBondContact ND1-O 2.9Å; L318-K351 HydrophobicContact CB-CB 4.37Å; L318-K351 HydrophobicContact CB-CG 4.33Å; L318-K351 HydrophobicContact CD2-CD 4.03Å; L318-K351 HydrophobicContact CD2-CG 4.01Å; L318-K351 HydrophobicContact CG-CG 4.24Å; L318-K351 CarbonylContact O-C 3.11Å; L318-K351 VanDerWaalsContact O-CA 3.26Å; L318-K351 WeakPolarHBondContact O-CA 3.45Å; N320-K351 WeakPolarHBondContact OD1-CE 3.48Å; N320-K351 PolarHBondContact OD1-NZ 3.27Å; G322-K351 PolarHBondContact O-NZ 3.35Å; G331-K351 PolarHBondContact O-NZ 3.13Å; P334-K351 HydrophobicContact CG-CB 3.87Å; K351-N353 WeakPolarHBondContact CE-OD1 3.4Å; K351-N353 PolarHBondContact NZ-OD1 3.09Å
352	I	98.6	Very high	97	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.015	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	117.5	169.4	-50.1	177.4	0	0	0	108.1	H65 F66 A69 L318 I319 N320 A354 I359	H65-I352 HydrophobicContact CB-CG1 4.17Å; F66-I352 HydrophobicContact CB-CD1 4.35Å; F66-I352 HydrophobicContact CD2-CD1 4.39Å; A69-I352 HydrophobicContact CB-CD1 3.76Å; A69-I352 HydrophobicContact CB-CG1 4.33Å; L318-I352 PolarHBondContact O-N 2.77Å; I319-I352 HydrophobicContact CD1-CD1 4.33Å; I319-I352 HydrophobicContact CG1-CB 4.35Å; I319-I352 HydrophobicContact CG1-CD1 4.18Å; I319-I352 HydrophobicContact CG1-CG1 4.49Å; I319-I352 HydrophobicContact CG2-CB 4.45Å; N320-I352 PolarHBondContact N-O 3.25Å; N320-I352 VanDerWaalsContact N-O 3.16Å; I352-A354 HydrophobicContact CG2-CB 3.92Å; I352-A354 PolarHBondContact O-N 2.99Å; I352-I359 HydrophobicContact CD1-CG2 3.89Å; I352-I359 HydrophobicContact CG2-CG1 4.46Å; I352-I359 HydrophobicContact CG2-CG2 4.45Å
353	N	98.5	Very high	96.9	Very high	56 Å²	56	59.7 Å²	59.7	30%	0.299	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	84.6	175.9	-60.3	-73.3	0	0	0	109.5	Q62 N320 K351	Q62-N353 PolarHBondContact NE2-ND2 3.02Å; N320-N353 VanDerWaalsContact O-CA 3.3Å; N320-N353 WeakPolarHBondContact O-CA 3.24Å; K351-N353 WeakPolarHBondContact CE-OD1 3.4Å; K351-N353 PolarHBondContact NZ-OD1 3.09Å
354	A	98.5	Very high	96.8	Very high	22 Å²	22	62.8 Å²	62.8	18%	0.182	34%	0.341	C	S	.	.	S	Bend	trans	-157.9	164.2	-176.2	0	0	0	0	0	111.8	N320 T321 I352 A356 I359	N320-A354 CarbonylContact C-O 3.6Å; N320-A354 PolarHBondContact O-N 3.19Å; T321-A354 WeakPolarHBondContact CG2-O 3.41Å; I352-A354 HydrophobicContact CG2-CB 3.92Å; I352-A354 PolarHBondContact O-N 2.99Å; A354-A356 PolarHBondContact O-N 3.39Å; A354-I359 HydrophobicContact CB-CD1 4.28Å; A354-I359 HydrophobicContact CB-CG1 3.5Å
355	D	98.6	Very high	96.7	Very high	75 Å²	75	62.4 Å²	62.4	40%	0.401	34%	0.343	S	S	.	.			trans	-69.7	123	165.9	-168.6	-43.2	0	0	0	109.3	S357 L358 I359	D355-S357 VanDerWaalsContact CG-OG 3.24Å; D355-S357 PolarHBondContact O-N 3.23Å; D355-S357 VanDerWaalsContact OD1-CB 3.31Å; D355-S357 WeakPolarHBondContact OD1-CB 3.27Å; D355-S357 PolarHBondContact OD1-N 3.15Å; D355-S357 PolarHBondContact OD1-OG 3.47Å; D355-L358 PolarHBondContact O-N 3.28Å; D355-I359 PolarHBondContact O-N 3.3Å
356	A	98.6	Very high	96.9	Very high	5 Å²	5	62.2 Å²	62.2	4%	0.041	32%	0.323	C	S	.	.	H	α-helix	trans	-64.1	-22.8	-177.9	0	0	0	0	0	112.9	M119 L294 I319 A354 L358 I359 F360	M119-A356 HydrophobicContact CE-CB 4.49Å; M119-A356 HydrophobicContact SD-CB 3.65Å; L294-A356 HydrophobicContact CB-CB 4.28Å; L294-A356 HydrophobicContact CD2-CB 4.45Å; I319-A356 HydrophobicContact CB-CB 4.45Å; I319-A356 HydrophobicContact CG2-CB 3.86Å; A354-A356 PolarHBondContact O-N 3.39Å; A356-L358 PolarHBondContact O-N 2.92Å; A356-I359 PolarHBondContact O-N 2.7Å; A356-F360 HydrophobicContact CB-CB 4.49Å; A356-F360 WeakPolarHBondContact O-CB 3.27Å; A356-F360 PolarHBondContact O-N 3.07Å
357	S	98.3	Very high	97.1	Very high	34 Å²	34	55.1 Å²	55.1	24%	0.238	29%	0.286	C	S	.	.	H	α-helix	trans	-64.6	-23.7	173	67.4	0	0	0	0	113.4	D355 Q361	D355-S357 VanDerWaalsContact CG-OG 3.24Å; D355-S357 PolarHBondContact O-N 3.23Å; D355-S357 VanDerWaalsContact OD1-CB 3.31Å; D355-S357 WeakPolarHBondContact OD1-CB 3.27Å; D355-S357 PolarHBondContact OD1-N 3.15Å; D355-S357 PolarHBondContact OD1-OG 3.47Å; S357-Q361 PolarHBondContact O-NE2 3.09Å
358	L	97.8	Very high	97.2	Very high	116 Å²	116	57.4 Å²	57.4	61%	0.607	29%	0.293	S	S	*	.	H	α-helix	trans	-90	-28	175.1	-67	176.3	0	0	0	113	D355 A356 F362	D355-L358 PolarHBondContact O-N 3.28Å; A356-L358 PolarHBondContact O-N 2.92Å; L358-F362 WeakPolarHBondContact O-CD2 3.1Å; L358-F362 WeakPolarHBondContact O-CE2 3.38Å
359	I	96.7	Very high	97.4	Very high	36 Å²	36	50.5 Å²	50.5	19%	0.185	26%	0.263	C	S	.	.	H	α-helix	trans	-104	-44.3	-168.5	-61.1	-55.2	0	0	0	112.7	F66 I319 I352 A354 D355 A356 Q361 F362	F66-I359 HydrophobicContact CD2-CG2 3.67Å; F66-I359 HydrophobicContact CE2-CG2 3.93Å; I319-I359 HydrophobicContact CD1-CG2 4.05Å; I319-I359 HydrophobicContact CG2-CB 4.33Å; I352-I359 HydrophobicContact CD1-CG2 3.89Å; I352-I359 HydrophobicContact CG2-CG1 4.46Å; I352-I359 HydrophobicContact CG2-CG2 4.45Å; A354-I359 HydrophobicContact CB-CD1 4.28Å; A354-I359 HydrophobicContact CB-CG1 3.5Å; D355-I359 PolarHBondContact O-N 3.3Å; A356-I359 PolarHBondContact O-N 2.7Å; I359-Q361 PolarHBondContact O-N 3.34Å; I359-Q361 VanDerWaalsContact O-N 3.15Å; I359-F362 PolarHBondContact O-N 2.85Å; I359-F362 VanDerWaalsContact O-OXT 3.13Å
360	F	97.8	Very high	97.3	Very high	23 Å²	23	51.4 Å²	51.4	10%	0.101	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-13.5	-167.6	-172.3	-110.8	0	0	0	114.6	L113 V124 V127 I128 L131 I292 L294 I319 A356 F362	L113-F360 HydrophobicContact CD1-CZ 4.18Å; V124-F360 HydrophobicContact CG1-CD1 3.7Å; V124-F360 HydrophobicContact CG1-CE1 4.27Å; V127-F360 HydrophobicContact CB-CD1 4.36Å; V127-F360 HydrophobicContact CB-CE1 4.29Å; V127-F360 HydrophobicContact CG1-CD1 3.88Å; V127-F360 HydrophobicContact CG1-CE1 3.67Å; I128-F360 HydrophobicContact CG1-CE1 4.25Å; L131-F360 HydrophobicContact CD1-CE1 4.16Å; L131-F360 HydrophobicContact CD1-CZ 3.66Å; I292-F360 HydrophobicContact CG2-CE2 4Å; L294-F360 HydrophobicContact CD1-CB 4.43Å; L294-F360 HydrophobicContact CD1-CD1 3.6Å; L294-F360 HydrophobicContact CD1-CD2 3.85Å; L294-F360 HydrophobicContact CD1-CE1 3.64Å; L294-F360 HydrophobicContact CD1-CE2 3.89Å; L294-F360 HydrophobicContact CD1-CG 3.68Å; L294-F360 HydrophobicContact CD1-CZ 3.77Å; L294-F360 HydrophobicContact CD2-CB 4.4Å; L294-F360 HydrophobicContact CD2-CD2 3.49Å; L294-F360 VanDerWaalsContact CD2-CD2 3.49Å; L294-F360 HydrophobicContact CD2-CE2 3.83Å; L294-F360 HydrophobicContact CD2-CG 3.95Å; L294-F360 HydrophobicContact CG-CD2 4.28Å; L294-F360 HydrophobicContact CG-CE2 4.34Å; L294-F360 HydrophobicContact CG-CG 4.49Å; I319-F360 HydrophobicContact CD1-CB 4.49Å; I319-F360 HydrophobicContact CD1-CD2 4.17Å; A356-F360 HydrophobicContact CB-CB 4.49Å; A356-F360 WeakPolarHBondContact O-CB 3.27Å; A356-F360 PolarHBondContact O-N 3.07Å; F360-F362 VanDerWaalsContact C-N 3.33Å
361	Q	93.8	Very high	97.2	Very high	112 Å²	112	54.7 Å²	54.7	52%	0.523	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-20	178.6	-55.8	-171.7	50.3	0	0	113	V127 S357 I359	V127-Q361 HydrophobicContact CG2-CG 4.17Å; S357-Q361 PolarHBondContact O-NE2 3.09Å; I359-Q361 PolarHBondContact O-N 3.34Å; I359-Q361 VanDerWaalsContact O-N 3.15Å
362	F	90.9	Very high	97.1	Very high	157 Å²	157	58.1 Å²	58.1	69%	0.689	30%	0.298	S	S	*	.			trans	-103	0	178.3	-52.2	-66.5	0	0	0	108.6	F53 F66 L358 I359 F360	F53-F362 HydrophobicContact CE1-CB 4.4Å; F53-F362 HydrophobicContact CE1-CD1 4.41Å; F53-F362 HydrophobicContact CE1-CG 4.24Å; F53-F362 HydrophobicContact CE2-CD1 4.1Å; F53-F362 HydrophobicContact CZ-CB 4.24Å; F53-F362 AromaticContact CZ-CD1 3.6Å; F53-F362 HydrophobicContact CZ-CD1 3.6Å; F53-F362 HydrophobicContact CZ-CD2 4.5Å; F53-F362 HydrophobicContact CZ-CE1 4.03Å; F53-F362 AromaticContact CZ-CG 3.87Å; F53-F362 HydrophobicContact CZ-CG 3.87Å; F66-F362 HydrophobicContact CE2-CB 4.14Å; F66-F362 HydrophobicContact CZ-CB 3.9Å; L358-F362 WeakPolarHBondContact O-CD2 3.1Å; L358-F362 WeakPolarHBondContact O-CE2 3.38Å; I359-F362 PolarHBondContact O-N 2.85Å; I359-F362 VanDerWaalsContact O-OXT 3.13Å; F360-F362 VanDerWaalsContact C-N 3.33Å

Retrieved 362 of 362 residues in 117.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).