A0A087X411_POEFO Loading...

AU RNA binding protein/enoyl-CoA hydratase

AlphaFold DB , UniProt , Accession A0A087X411, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 291 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.2	Very low	28.6	Very low	229 Å²	229	183.2 Å²	183.2	100%	1.128	87%	0.866	S	S	*	*				0	133.2	0	-136.3	-179.3	-138.3	0	0	107.2
2	W	25.4	Very low	28.6	Very low	237 Å²	237	177.1 Å²	177.1	90%	0.898	86%	0.858	S	S	*	*			trans	83.9	90.7	173.9	-63.2	83.5	0	0	0	119.2
3	W	24.2	Very low	28.9	Very low	212 Å²	212	180.8 Å²	180.8	80%	0.803	86%	0.857	S	S	*	*			trans	-39.9	145.7	153.3	-76.8	60.5	0	0	0	115.8
4	R	29.7	Very low	29	Very low	246 Å²	246	177.1 Å²	177.1	93%	0.928	86%	0.856	S	S	*	*			trans	-152.1	106.1	135.6	-113.8	174.8	-172.9	-127	2	112.1
5	Q	31.5	Very low	29.3	Very low	151 Å²	151	176.3 Å²	176.3	71%	0.706	86%	0.855	S	S	*	*			trans	-24.8	127	154.4	-95.8	161.8	-6	0	0	114.9
6	Q	31.6	Very low	29.6	Very low	195 Å²	195	169.1 Å²	169.1	91%	0.911	84%	0.841	S	S	*	*			trans	-119.2	130.2	144.9	-78.9	-170.5	-7.2	0	0	109.2
7	R	31.1	Very low	29.6	Very low	234 Å²	234	164.8 Å²	164.8	88%	0.883	84%	0.838	S	S	*	*			trans	-72.4	140	-171.3	-63.1	174.5	-173.2	-177.2	0.7	109.7	C9	R7-C9 PolarHBondContact O-N 3.39Å
8	G	27.7	Very low	29.7	Very low	76 Å²	76	163 Å²	163	78%	0.784	84%	0.837	S	S	*	*			trans	-63.7	123.6	173.8	0	0	0	0	0	111.5
9	C	26.9	Very low	30.4	Very low	112 Å²	112	165.1 Å²	165.1	76%	0.757	83%	0.833	S	S	*	*			trans	-82.6	106.1	153.6	-94	0	0	0	0	107.4	R7 F11	R7-C9 PolarHBondContact O-N 3.39Å; C9-F11 PolarHBondContact O-N 3.01Å
10	C	25.6	Very low	30.3	Very low	130 Å²	130	167.2 Å²	167.2	88%	0.878	84%	0.836	S	S	*	*			trans	-61.9	99.2	165.7	-72.4	0	0	0	0	109.2	S12	C10-S12 PolarHBondContact O-N 3.15Å
11	F	28.5	Very low	30.6	Very low	193 Å²	193	166.5 Å²	166.5	85%	0.846	83%	0.825	S	S	*	*			trans	-76.3	99.3	158.8	-88.7	-87.1	0	0	0	108	C9 R13	C9-F11 PolarHBondContact O-N 3.01Å; F11-R13 PolarHBondContact O-N 3.21Å; F11-R13 VanDerWaalsContact O-N 3.15Å
12	S	28.2	Very low	30.6	Very low	110 Å²	110	161.1 Å²	161.1	77%	0.769	81%	0.81	S	S	*	*			trans	-55.3	112.2	166.9	47.8	0	0	0	0	109.6	C10	C10-S12 PolarHBondContact O-N 3.15Å
13	R	32.6	Very low	31.2	Very low	225 Å²	225	157.5 Å²	157.5	85%	0.849	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-60.6	135	166	-76.6	-179.3	169.2	-169.3	-3.7	108.7	F11 I15	F11-R13 PolarHBondContact O-N 3.21Å; F11-R13 VanDerWaalsContact O-N 3.15Å; R13-I15 PolarHBondContact O-N 2.95Å; R13-I15 VanDerWaalsContact O-N 3.11Å
14	P	30.6	Very low	31.9	Very low	129 Å²	129	151.4 Å²	151.4	84%	0.838	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-63.3	118.6	168.5	-14	27.9	0	0	0	108.5
15	I	33.8	Very low	32.9	Very low	165 Å²	165	144.2 Å²	144.2	85%	0.846	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-62.3	143.6	173.4	-69	165.8	0	0	0	108.6	R13 A17	R13-I15 PolarHBondContact O-N 2.95Å; R13-I15 VanDerWaalsContact O-N 3.11Å; I15-A17 PolarHBondContact O-N 3.21Å
16	G	33.7	Very low	34.1	Very low	61 Å²	61	146.5 Å²	146.5	63%	0.629	77%	0.77	S	S	*	*			trans	-39.8	126.2	-166.9	0	0	0	0	0	116	T18	G16-T18 VanDerWaalsContact C-N 3.3Å; G16-T18 PolarHBondContact O-N 3.31Å
17	A	30	Very low	36.6	Very low	96 Å²	96	141.2 Å²	141.2	79%	0.793	75%	0.748	S	S	*	*			trans	-65.7	96.2	156.1	0	0	0	0	0	107.7	I15 R19	I15-A17 PolarHBondContact O-N 3.21Å; A17-R19 PolarHBondContact O-N 3.11Å
18	T	31.8	Very low	39.6	Very low	133 Å²	133	132 Å²	132	82%	0.816	72%	0.716	S	S	*	*			trans	-59.8	103.1	164.1	10.1	0	0	0	0	106.8	G16 K20	G16-T18 VanDerWaalsContact C-N 3.3Å; G16-T18 PolarHBondContact O-N 3.31Å; T18-K20 PolarHBondContact O-N 3Å
19	R	42.7	Very low	42.9	Very low	202 Å²	202	128.8 Å²	128.8	76%	0.762	68%	0.681	S	S	*	*			trans	-61.9	103.9	173.8	-79.3	-179	176.4	179.1	-2	107.7	A17 Y21	A17-R19 PolarHBondContact O-N 3.11Å; R19-Y21 VanDerWaalsContact C-N 3.34Å; R19-Y21 HydrophobicContact CB-CD2 4.5Å; R19-Y21 HydrophobicContact CB-CE2 4.08Å; R19-Y21 VanDerWaalsContact O-CD2 3.31Å; R19-Y21 WeakPolarHBondContact O-CD2 3.41Å; R19-Y21 PolarHBondContact O-N 3.35Å
20	K	28.9	Very low	46.3	Very low	207 Å²	207	126 Å²	126	90%	0.9	66%	0.656	S	S	*	*			trans	-70.2	96	166.3	-78.7	-176.7	176.6	178.7	0	107.5	T18 S22	T18-K20 PolarHBondContact O-N 3Å; K20-S22 PolarHBondContact O-N 3.41Å
21	Y	36	Very low	49.7	Very low	154 Å²	154	122.2 Å²	122.2	60%	0.604	63%	0.629	S	S	*	*			trans	-64.5	110.5	165.1	-65.5	-86.9	0	0	0	107.7	R19 Y23	R19-Y21 VanDerWaalsContact C-N 3.34Å; R19-Y21 HydrophobicContact CB-CD2 4.5Å; R19-Y21 HydrophobicContact CB-CE2 4.08Å; R19-Y21 VanDerWaalsContact O-CD2 3.31Å; R19-Y21 WeakPolarHBondContact O-CD2 3.41Å; R19-Y21 PolarHBondContact O-N 3.35Å; Y21-Y23 VanDerWaalsContact C-N 3.31Å; Y21-Y23 PolarHBondContact O-N 3.19Å
22	S	32.2	Very low	53.1	Low	115 Å²	115	117.5 Å²	117.5	80%	0.804	61%	0.605	S	S	*	*			trans	-67.2	97.4	163.3	59.7	0	0	0	0	107.3	K20 D24	K20-S22 PolarHBondContact O-N 3.41Å; S22-D24 VanDerWaalsContact C-N 3.34Å; S22-D24 PolarHBondContact O-N 2.91Å
23	Y	38.1	Very low	56.4	Low	162 Å²	162	117.3 Å²	117.3	64%	0.635	59%	0.589	S	S	*	*			trans	-68.2	91.6	172.6	-101.9	-91.8	0	0	0	108.6	Y21 S25	Y21-Y23 VanDerWaalsContact C-N 3.31Å; Y21-Y23 PolarHBondContact O-N 3.19Å; Y23-S25 PolarHBondContact O-N 2.82Å
24	D	39.6	Very low	59.5	Low	84 Å²	84	108.4 Å²	108.4	45%	0.449	56%	0.558	S	S	.	*			trans	-79.7	110.3	149	-151.3	-9.5	0	0	0	106.7	S22 R26 K30	S22-D24 VanDerWaalsContact C-N 3.34Å; S22-D24 PolarHBondContact O-N 2.91Å; D24-R26 VanDerWaalsContact C-N 3.26Å; D24-R26 PolarHBondContact O-N 3.07Å; D24-R26 IonicContact OD1-CZ 3.56Å; D24-R26 IonicContact OD1-NE 3.73Å; D24-R26 PolarHBondContact OD1-NE 3.08Å; D24-R26 VanDerWaalsContact OD1-NE 3.15Å; D24-R26 IonicContact OD1-NH2 2.86Å; D24-K30 PolarHBondContact O-NZ 3.36Å
25	S	50.7	Low	62.7	Low	95 Å²	95	108.7 Å²	108.7	66%	0.664	55%	0.552	S	S	*	*			trans	-89.3	16.9	-168.8	68.7	0	0	0	0	112.9	Y23	Y23-S25 PolarHBondContact O-N 2.82Å
26	R	56.3	Low	65.6	Low	198 Å²	198	104 Å²	104	75%	0.747	54%	0.544	S	S	*	.			trans	-103.7	-20.4	-165.9	-71.3	-175	-109.5	-159.8	-6.3	115.4	D24	D24-R26 VanDerWaalsContact C-N 3.26Å; D24-R26 PolarHBondContact O-N 3.07Å; D24-R26 IonicContact OD1-CZ 3.56Å; D24-R26 IonicContact OD1-NE 3.73Å; D24-R26 PolarHBondContact OD1-NE 3.08Å; D24-R26 VanDerWaalsContact OD1-NE 3.15Å; D24-R26 IonicContact OD1-NH2 2.86Å
27	D	83.8	Confident	68.4	Low	85 Å²	85	108.4 Å²	108.4	46%	0.455	55%	0.549	S	S	.	.			trans	-106.9	122.8	-176.2	-60.7	-31	0	0	0	112.5	L29 N47 M62	D27-L29 PolarHBondContact O-N 2.66Å; D27-N47 PolarHBondContact O-ND2 2.96Å; D27-M62 HydrophobicContact CB-CE 4.3Å
28	D	94.1	Very high	71.6	Confident	39 Å²	39	104.8 Å²	104.8	21%	0.209	52%	0.516	C	S	.	.	S	Bend	trans	-63.8	-18.7	176.3	-84.3	-10.8	0	0	0	112.4	N47 R48 N58 M62	D28-N47 PolarHBondContact O-N 2.78Å; D28-R48 HydrophobicContact CB-CG 3.64Å; D28-R48 WeakPolarHBondContact OD1-CG 3.39Å; D28-R48 IonicContact OD1-NE 2.8Å; D28-R48 PolarHBondContact OD1-NE 3.41Å; D28-R48 IonicContact OD2-CZ 3.68Å; D28-R48 IonicContact OD2-NE 3.15Å; D28-R48 PolarHBondContact OD2-NE 3.48Å; D28-R48 IonicContact OD2-NH2 3.06Å; D28-N58 PolarHBondContact OD2-ND2 3.44Å; D28-N58 VanDerWaalsContact OD2-ND2 3.14Å; D28-M62 HydrophobicContact CB-SD 3.91Å
29	L	97.3	Very high	74.7	Confident	10 Å²	10	101.2 Å²	101.2	5%	0.052	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	135.1	-179.4	-172.5	69.8	0	0	0	110.1	D27 V31 V44 I46 L59 M62 M63 A66	D27-L29 PolarHBondContact O-N 2.66Å; L29-V31 HydrophobicContact CD2-CG2 4.41Å; L29-V44 HydrophobicContact CD1-CG1 3.74Å; L29-V44 HydrophobicContact CG-CG1 4.43Å; L29-I46 HydrophobicContact CD1-CG1 4.16Å; L29-L59 HydrophobicContact CB-CD1 4.14Å; L29-L59 HydrophobicContact CD1-CD1 4.2Å; L29-M62 HydrophobicContact CB-CB 4.16Å; L29-M62 HydrophobicContact CB-CE 4Å; L29-M62 HydrophobicContact CB-SD 4.28Å; L29-M62 HydrophobicContact CD2-CB 3.92Å; L29-M62 WeakPolarHBondContact CD2-O 3.36Å; L29-M63 HydrophobicContact CD1-CG 4.33Å; L29-M63 HydrophobicContact CD1-SD 3.37Å; L29-M63 WeakPolarHBondContact CD1-SD 3.48Å; L29-M63 HydrophobicContact CD2-CG 3.98Å; L29-M63 HydrophobicContact CD2-SD 3.59Å; L29-M63 VanDerWaalsContact CD2-SD 3.59Å; L29-M63 HydrophobicContact CG-SD 4.12Å; L29-A66 HydrophobicContact CD2-CB 3.93Å
30	K	97.7	Very high	77.4	Confident	53 Å²	53	92.4 Å²	92.4	23%	0.23	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123	173.8	-61.3	-165.8	179	-174.1	0	110.4	D24 G45 L84	D24-K30 PolarHBondContact O-NZ 3.36Å; K30-G45 PolarHBondContact N-O 2.86Å; K30-G45 PolarHBondContact O-N 3.37Å; K30-L84 HydrophobicContact CB-CD1 3.9Å; K30-L84 HydrophobicContact CD-CD1 3.69Å; K30-L84 HydrophobicContact CG-CD1 3.97Å
31	V	98.1	Very high	80.7	Confident	51 Å²	51	82.6 Å²	82.6	31%	0.309	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	118.8	174.7	-174	0	0	0	0	108.6	L29 Y33 V42 V43 A66	L29-V31 HydrophobicContact CD2-CG2 4.41Å; V31-Y33 HydrophobicContact CG1-CD2 4.48Å; V31-Y33 HydrophobicContact CG1-CE2 3.86Å; V31-V42 HydrophobicContact CG1-CG1 3.73Å; V31-V43 WeakPolarHBondContact CA-O 3.47Å; V31-A66 HydrophobicContact CG2-CB 3.63Å
32	R	98.4	Very high	83.7	Confident	93 Å²	93	75.3 Å²	75.3	35%	0.351	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	117.4	-179.2	-63.6	-177.4	-67.9	171	-0.3	110.2	L34 V42 V43	R32-L34 HydrophobicContact CB-CD2 4.18Å; R32-V42 CarbonylContact O-C 3.6Å; R32-V42 WeakPolarHBondContact O-CA 3.35Å; R32-V43 HydrophobicContact CB-CB 4.41Å; R32-V43 PolarHBondContact N-O 3.47Å; R32-V43 PolarHBondContact O-N 3.47Å
33	Y	98.4	Very high	86.9	Confident	106 Å²	106	69.8 Å²	69.8	42%	0.416	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	110.4	168.5	-62.7	-93.3	0	0	0	107.6	V31 V42 N73 V76	V31-Y33 HydrophobicContact CG1-CD2 4.48Å; V31-Y33 HydrophobicContact CG1-CE2 3.86Å; Y33-V42 HydrophobicContact CD1-CG1 4.47Å; Y33-V42 HydrophobicContact CD1-CG2 3.39Å; Y33-V42 HydrophobicContact CE1-CG1 4.34Å; Y33-V42 HydrophobicContact CE1-CG2 3.6Å; Y33-V42 HydrophobicContact CG-CG2 4.23Å; Y33-N73 VanDerWaalsContact CE1-ND2 3.3Å; Y33-N73 WeakPolarHBondContact CE1-ND2 3.45Å; Y33-V76 HydrophobicContact CD1-CG2 4.47Å; Y33-V76 HydrophobicContact CE1-CG2 4.08Å
34	L	98.4	Very high	89.8	Confident	38 Å²	38	62.4 Å²	62.4	20%	0.199	33%	0.334	C	S	.	.			trans	-77	157	-176.6	-54.4	-171.5	0	0	0	111.3	R32 D38 I41 V43 L224	R32-L34 HydrophobicContact CB-CD2 4.18Å; L34-D38 HydrophobicContact CB-CB 3.61Å; L34-D38 HydrophobicContact CD1-CB 3.8Å; L34-D38 HydrophobicContact CG-CB 4.36Å; L34-I41 HydrophobicContact CB-CB 4.47Å; L34-I41 HydrophobicContact CD1-CB 4.11Å; L34-I41 HydrophobicContact CD1-CG2 4.06Å; L34-I41 HydrophobicContact CG-CB 4.45Å; L34-I41 PolarHBondContact N-O 3.24Å; L34-V43 HydrophobicContact CD1-CG2 3.86Å; L34-V43 HydrophobicContact CD2-CG2 4.27Å; L34-V43 HydrophobicContact CG-CG2 4.13Å; L34-L224 HydrophobicContact CD1-CD1 3.72Å
35	D	96	Very high	92.6	Very high	135 Å²	135	58.4 Å²	58.4	72%	0.722	31%	0.313	S	S	*	.			trans	-125.3	-176.2	-177.3	63.2	1.7	0	0	0	111.9	E37 D38 A39	D35-E37 PolarHBondContact O-N 2.67Å; D35-D38 PolarHBondContact O-N 2.83Å; D35-A39 PolarHBondContact O-N 2.93Å
36	G	95.4	Very high	94.8	Very high	66 Å²	66	53.9 Å²	53.9	68%	0.68	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	61.4	-127.3	179.5	0	0	0	0	0	113	D38 A39	G36-D38 PolarHBondContact O-N 3.39Å; G36-A39 WeakPolarHBondContact O-CB 3.39Å; G36-A39 PolarHBondContact O-N 3.31Å
37	E	92.6	Very high	96.8	Very high	155 Å²	155	45.1 Å²	45.1	72%	0.724	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-66.6	-20.1	177.1	63.8	177.5	-166.2	0	0	113.4	D35 R228	D35-E37 PolarHBondContact O-N 2.67Å; E37-R228 IonicContact OE1-CZ 3.97Å; E37-R228 IonicContact OE1-NH1 3.4Å; E37-R228 IonicContact OE1-NH2 3.93Å; E37-R228 PolarHBondContact OE1-NH2 3.45Å
38	D	97.6	Very high	97.4	Very high	20 Å²	20	42.4 Å²	42.4	11%	0.107	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-99.5	9.9	-178.7	-68.8	-38.8	0	0	0	112.7	L34 D35 G36 G40 I41 R228	L34-D38 HydrophobicContact CB-CB 3.61Å; L34-D38 HydrophobicContact CD1-CB 3.8Å; L34-D38 HydrophobicContact CG-CB 4.36Å; D35-D38 PolarHBondContact O-N 2.83Å; G36-D38 PolarHBondContact O-N 3.39Å; D38-G40 PolarHBondContact O-N 3.46Å; D38-I41 HydrophobicContact CB-CD1 4.07Å; D38-I41 WeakPolarHBondContact O-CB 3.22Å; D38-I41 WeakPolarHBondContact O-CG1 3.5Å; D38-I41 PolarHBondContact O-N 3.27Å; D38-R228 VanDerWaalsContact CG-NH2 3.32Å; D38-R228 IonicContact OD1-CZ 2.65Å; D38-R228 VanDerWaalsContact OD1-CZ 3.25Å; D38-R228 IonicContact OD1-NE 3.72Å; D38-R228 PolarHBondContact OD1-NE 2.63Å; D38-R228 IonicContact OD1-NH2 3.25Å; D38-R228 PolarHBondContact OD1-NH2 3.34Å; D38-R228 IonicContact OD2-CZ 3.94Å; D38-R228 IonicContact OD2-NE 2.78Å; D38-R228 IonicContact OD2-NH2 3.8Å; D38-R228 PolarHBondContact OD2-NH2 3.34Å
39	A	97.3	Very high	97.5	Very high	58 Å²	58	43.9 Å²	43.9	48%	0.479	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	128.2	178.8	0	0	0	0	0	111.6	D35 G36 N231	D35-A39 PolarHBondContact O-N 2.93Å; G36-A39 WeakPolarHBondContact O-CB 3.39Å; G36-A39 PolarHBondContact O-N 3.31Å; A39-N231 PolarHBondContact O-ND2 2.86Å; A39-N231 VanDerWaalsContact O-ND2 3.17Å
40	G	97.9	Very high	97.4	Very high	16 Å²	16	53.3 Å²	53.3	17%	0.165	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.2	-7.5	-177	0	0	0	0	0	114.6	D38 R77 S78	D38-G40 PolarHBondContact O-N 3.46Å; G40-R77 PolarHBondContact O-N 3.34Å; G40-S78 PolarHBondContact O-N 3.18Å
41	I	98.8	Very high	97.4	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	131.4	170	-52	177.2	0	0	0	109	L34 D38 I80 L224 A227 R228 N231	L34-I41 HydrophobicContact CB-CB 4.47Å; L34-I41 HydrophobicContact CD1-CB 4.11Å; L34-I41 HydrophobicContact CD1-CG2 4.06Å; L34-I41 HydrophobicContact CG-CB 4.45Å; L34-I41 PolarHBondContact N-O 3.24Å; D38-I41 HydrophobicContact CB-CD1 4.07Å; D38-I41 WeakPolarHBondContact O-CB 3.22Å; D38-I41 WeakPolarHBondContact O-CG1 3.5Å; D38-I41 PolarHBondContact O-N 3.27Å; I41-I80 HydrophobicContact CG2-CD1 3.79Å; I41-I80 HydrophobicContact CG2-CG1 4.14Å; I41-L224 HydrophobicContact CD1-CD1 3.78Å; I41-L224 HydrophobicContact CG2-CD1 4.32Å; I41-A227 HydrophobicContact CD1-CB 3.66Å; I41-A227 HydrophobicContact CG1-CB 4.05Å; I41-A227 HydrophobicContact CG2-CB 4.26Å; I41-R228 HydrophobicContact CD1-CG 4.18Å; I41-N231 WeakPolarHBondContact CG1-ND2 3.5Å
42	V	98.8	Very high	97.4	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.006	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129.3	170.8	179.1	0	0	0	0	109.9	V31 R32 Y33 V44 I70 V76 S78 V79 I80	V31-V42 HydrophobicContact CG1-CG1 3.73Å; R32-V42 CarbonylContact O-C 3.6Å; R32-V42 WeakPolarHBondContact O-CA 3.35Å; Y33-V42 HydrophobicContact CD1-CG1 4.47Å; Y33-V42 HydrophobicContact CD1-CG2 3.39Å; Y33-V42 HydrophobicContact CE1-CG1 4.34Å; Y33-V42 HydrophobicContact CE1-CG2 3.6Å; Y33-V42 HydrophobicContact CG-CG2 4.23Å; V42-V44 HydrophobicContact CG1-CG2 4.44Å; V42-I70 HydrophobicContact CG1-CD1 3.99Å; V42-I70 HydrophobicContact CG1-CG1 4.19Å; V42-V76 HydrophobicContact CB-CG1 4.39Å; V42-V76 HydrophobicContact CG2-CB 4.28Å; V42-V76 HydrophobicContact CG2-CG1 3.77Å; V42-V76 HydrophobicContact CG2-CG2 3.56Å; V42-S78 PolarHBondContact N-O 2.74Å; V42-V79 HydrophobicContact CB-CG2 4.38Å; V42-V79 CarbonylContact O-C 3.58Å; V42-V79 VanDerWaalsContact O-CA 3.3Å; V42-V79 WeakPolarHBondContact O-CA 3.48Å; V42-I80 PolarHBondContact O-N 2.84Å
43	V	98.8	Very high	97.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	117	175.1	-175.3	0	0	0	0	109.7	V31 R32 L34 I80 S82 Y220	V31-V43 WeakPolarHBondContact CA-O 3.47Å; R32-V43 HydrophobicContact CB-CB 4.41Å; R32-V43 PolarHBondContact N-O 3.47Å; R32-V43 PolarHBondContact O-N 3.47Å; L34-V43 HydrophobicContact CD1-CG2 3.86Å; L34-V43 HydrophobicContact CD2-CG2 4.27Å; L34-V43 HydrophobicContact CG-CG2 4.13Å; V43-I80 WeakPolarHBondContact CA-O 3.44Å; V43-I80 HydrophobicContact CG2-CB 4.42Å; V43-S82 WeakPolarHBondContact CG1-OG 3.49Å; V43-Y220 HydrophobicContact CG1-CE2 3.92Å; V43-Y220 HydrophobicContact CG2-CE2 3.97Å
44	V	98.8	Very high	97.3	Very high	7 Å²	7	47 Å²	47	4%	0.042	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	103.7	171.1	-178.8	0	0	0	0	107.4	L29 V42 M63 I70 V79 I80 L81 S82	L29-V44 HydrophobicContact CD1-CG1 3.74Å; L29-V44 HydrophobicContact CG-CG1 4.43Å; V42-V44 HydrophobicContact CG1-CG2 4.44Å; V44-M63 HydrophobicContact CG1-CE 4.11Å; V44-M63 HydrophobicContact CG1-SD 3.74Å; V44-I70 HydrophobicContact CG2-CD1 3.77Å; V44-V79 HydrophobicContact CG2-CG1 3.98Å; V44-I80 PolarHBondContact N-O 3.05Å; V44-L81 HydrophobicContact CB-CD1 4.17Å; V44-L81 HydrophobicContact CG1-CD1 3.93Å; V44-S82 PolarHBondContact O-N 2.99Å
45	G	98.5	Very high	97.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	116.3	-174.6	0	0	0	0	0	112.4	K30 S82	K30-G45 PolarHBondContact N-O 2.86Å; K30-G45 PolarHBondContact O-N 3.37Å; G45-S82 WeakPolarHBondContact CA-O 3.41Å
46	I	98.6	Very high	97.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	132.9	176.2	-48.8	172.5	0	0	0	109.6	L29 R48 N53 L59 L81 S82 L84 M142	L29-I46 HydrophobicContact CD1-CG1 4.16Å; I46-R48 HydrophobicContact CG2-CG 4.31Å; I46-N53 HydrophobicContact CB-CB 4.36Å; I46-N53 HydrophobicContact CG2-CB 3.69Å; I46-N53 VanDerWaalsContact CG2-CG 3.5Å; I46-N53 PolarHBondContact O-ND2 2.8Å; I46-L59 HydrophobicContact CG2-CD1 4.15Å; I46-L59 HydrophobicContact CG2-CD2 3.89Å; I46-L81 HydrophobicContact CD1-CD1 4.45Å; I46-L81 HydrophobicContact CG1-CD1 4.5Å; I46-S82 PolarHBondContact N-O 3.18Å; I46-L84 PolarHBondContact O-N 3.17Å; I46-M142 HydrophobicContact CD1-CE 3.64Å
47	N	97.7	Very high	97.2	Very high	13 Å²	13	40.6 Å²	40.6	7%	0.07	21%	0.21	C	C	.	.			trans	-137.8	64.6	-172.5	-176.7	40.8	0	0	0	112.5	D27 D28 P49 L84	D27-N47 PolarHBondContact O-ND2 2.96Å; D28-N47 PolarHBondContact O-N 2.78Å; N47-P49 VanDerWaalsContact C-CD 3.41Å; N47-P49 WeakPolarHBondContact O-CD 3.39Å; N47-L84 HydrophobicContact CB-CB 4.2Å; N47-L84 HydrophobicContact CB-CD1 4.24Å
48	R	97	Very high	97.4	Very high	28 Å²	28	37 Å²	37	11%	0.106	20%	0.196	C	C	.	.			trans	-121	65.3	175.9	-43.6	-177.4	65.6	-134	-4.2	111.2	D28 I46 K50 A51 K52 N53 S54 S56 D94	D28-R48 HydrophobicContact CB-CG 3.64Å; D28-R48 WeakPolarHBondContact OD1-CG 3.39Å; D28-R48 IonicContact OD1-NE 2.8Å; D28-R48 PolarHBondContact OD1-NE 3.41Å; D28-R48 IonicContact OD2-CZ 3.68Å; D28-R48 IonicContact OD2-NE 3.15Å; D28-R48 PolarHBondContact OD2-NE 3.48Å; D28-R48 IonicContact OD2-NH2 3.06Å; I46-R48 HydrophobicContact CG2-CG 4.31Å; R48-K50 VanDerWaalsContact C-N 3.34Å; R48-K50 PolarHBondContact O-N 3.36Å; R48-A51 HydrophobicContact CB-CB 4.27Å; R48-A51 CarbonylContact O-C 3.53Å; R48-A51 PolarHBondContact O-N 3.33Å; R48-K52 PolarHBondContact O-N 2.92Å; R48-N53 WeakPolarHBondContact CA-OD1 3.18Å; R48-N53 PolarHBondContact N-OD1 3.2Å; R48-N53 PolarHBondContact O-N 3.02Å; R48-S54 PolarHBondContact NH1-O 3.39Å; R48-S54 PolarHBondContact NH1-OG 3.4Å; R48-S56 PolarHBondContact NH1-OG 3.11Å; R48-S56 PolarHBondContact NH2-OG 3.4Å; R48-D94 IonicContact NH1-OD2 2.79Å; R48-D94 IonicContact NH2-OD2 3.96Å
49	P	96.1	Very high	97.3	Very high	71 Å²	71	36.2 Å²	36.2	46%	0.461	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-58.5	-41.8	-172.1	21.6	-33.1	0	0	0	113.2	N47 A51 K52 V85	N47-P49 VanDerWaalsContact C-CD 3.41Å; N47-P49 WeakPolarHBondContact O-CD 3.39Å; P49-A51 PolarHBondContact O-N 3.07Å; P49-K52 PolarHBondContact O-N 3.42Å; P49-V85 HydrophobicContact CB-CG1 3.96Å; P49-V85 HydrophobicContact CB-CG2 3.92Å; P49-V85 HydrophobicContact CG-CG2 4.43Å
50	K	95.4	Very high	97.3	Very high	208 Å²	208	33.5 Å²	33.5	90%	0.904	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-63.4	-25	179	-65.1	-176.9	-179.2	177.5	0	113.5	R48	R48-K50 VanDerWaalsContact C-N 3.34Å; R48-K50 PolarHBondContact O-N 3.36Å
51	A	96.2	Very high	97.2	Very high	31 Å²	31	35.6 Å²	35.6	26%	0.256	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-109.6	10.2	-178.3	0	0	0	0	0	112.4	R48 P49 N53 S54	R48-A51 HydrophobicContact CB-CB 4.27Å; R48-A51 CarbonylContact O-C 3.53Å; R48-A51 PolarHBondContact O-N 3.33Å; P49-A51 PolarHBondContact O-N 3.07Å; A51-N53 PolarHBondContact O-N 2.93Å; A51-S54 WeakPolarHBondContact CB-OG 3.43Å; A51-S54 VanDerWaalsContact O-CB 3.25Å; A51-S54 WeakPolarHBondContact O-CB 3.47Å; A51-S54 PolarHBondContact O-N 3.49Å; A51-S54 PolarHBondContact O-OG 3.19Å
52	K	97.7	Very high	97.2	Very high	131 Å²	131	37.5 Å²	37.5	57%	0.57	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	41.1	-176.6	-54.1	-172.7	177.5	-179.3	0	112.9	R48 P49 S54 I88 A91	R48-K52 PolarHBondContact O-N 2.92Å; P49-K52 PolarHBondContact O-N 3.42Å; K52-S54 PolarHBondContact O-N 2.8Å; K52-S54 VanDerWaalsContact O-N 3.12Å; K52-I88 HydrophobicContact CB-CD1 3.87Å; K52-I88 HydrophobicContact CB-CG2 4.12Å; K52-I88 HydrophobicContact CD-CD1 4.41Å; K52-I88 HydrophobicContact CG-CD1 3.83Å; K52-I88 VanDerWaalsContact O-CG2 3.29Å; K52-I88 WeakPolarHBondContact O-CG2 3.49Å; K52-A91 HydrophobicContact CB-CB 3.84Å; K52-A91 VanDerWaalsContact O-CB 3.3Å; K52-A91 WeakPolarHBondContact O-CB 3.47Å; K52-A91 PolarHBondContact O-N 3.14Å; K52-A91 VanDerWaalsContact O-N 3.08Å
53	N	98.4	Very high	97.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	31.3	-176.2	-69.3	-4.4	0	0	0	113.6	I46 R48 A51 S83 V85 I88 F89 C90	I46-N53 HydrophobicContact CB-CB 4.36Å; I46-N53 HydrophobicContact CG2-CB 3.69Å; I46-N53 VanDerWaalsContact CG2-CG 3.5Å; I46-N53 PolarHBondContact O-ND2 2.8Å; R48-N53 WeakPolarHBondContact CA-OD1 3.18Å; R48-N53 PolarHBondContact N-OD1 3.2Å; R48-N53 PolarHBondContact O-N 3.02Å; A51-N53 PolarHBondContact O-N 2.93Å; N53-S83 WeakPolarHBondContact ND2-CB 3.44Å; N53-S83 PolarHBondContact ND2-OG 3.23Å; N53-V85 WeakPolarHBondContact OD1-CG2 3.49Å; N53-I88 HydrophobicContact CB-CG2 4.24Å; N53-F89 VanDerWaalsContact CB-O 3.31Å; N53-F89 WeakPolarHBondContact CB-O 3.34Å; N53-F89 PolarHBondContact ND2-O 2.74Å; N53-C90 HydrophobicContact CB-CB 4.41Å; N53-C90 PolarHBondContact O-SG 3.08Å
54	S	97.9	Very high	97.1	Very high	7 Å²	7	39.9 Å²	39.9	5%	0.049	20%	0.196	C	C	.	.			trans	-57.7	156.9	175.6	62	0	0	0	0	111.7	R48 A51 K52 S56 L59 G92 D94	R48-S54 PolarHBondContact NH1-O 3.39Å; R48-S54 PolarHBondContact NH1-OG 3.4Å; A51-S54 WeakPolarHBondContact CB-OG 3.43Å; A51-S54 VanDerWaalsContact O-CB 3.25Å; A51-S54 WeakPolarHBondContact O-CB 3.47Å; A51-S54 PolarHBondContact O-N 3.49Å; A51-S54 PolarHBondContact O-OG 3.19Å; K52-S54 PolarHBondContact O-N 2.8Å; K52-S54 VanDerWaalsContact O-N 3.12Å; S54-S56 PolarHBondContact O-N 2.99Å; S54-L59 VanDerWaalsContact O-CD2 3.29Å; S54-L59 WeakPolarHBondContact O-CD2 3.43Å; S54-G92 CarbonylContact C-O 3.57Å; S54-G92 WeakPolarHBondContact CA-O 3.47Å; S54-D94 PolarHBondContact OG-OD2 3.08Å
55	I	97.4	Very high	97	Very high	11 Å²	11	45.6 Å²	45.6	6%	0.056	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-88.7	94	177.6	-56.5	173.7	0	0	0	108	V60 G92 D94 M142	I55-V60 HydrophobicContact CG2-CG2 3.43Å; I55-V60 VanDerWaalsContact CG2-CG2 3.43Å; I55-G92 PolarHBondContact N-O 3Å; I55-D94 PolarHBondContact O-N 3.25Å; I55-D94 VanDerWaalsContact O-N 3.15Å; I55-M142 HydrophobicContact CD1-SD 4.35Å
56	S	96.3	Very high	97	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.225	C	C	.	.			trans	-86.9	164.8	171.4	57.7	0	0	0	0	111.8	R48 S54 N58 L59 V60 E97	R48-S56 PolarHBondContact NH1-OG 3.11Å; R48-S56 PolarHBondContact NH2-OG 3.4Å; S54-S56 PolarHBondContact O-N 2.99Å; S56-N58 PolarHBondContact O-N 3.19Å; S56-L59 PolarHBondContact O-N 3.36Å; S56-L59 WeakPolarHBondContact OG-CB 3.04Å; S56-L59 PolarHBondContact OG-N 3.3Å; S56-V60 WeakPolarHBondContact O-CG2 3.25Å; S56-V60 PolarHBondContact O-N 3.01Å; S56-E97 WeakPolarHBondContact CA-OE2 3.46Å; S56-E97 WeakPolarHBondContact CB-OE1 3.47Å
57	K	94.3	Very high	97	Very high	94 Å²	94	46.1 Å²	46.1	41%	0.409	23%	0.226	S	C	.	.	H	α-helix	trans	-51.9	-41.4	168	-71.6	178.3	176.7	178.9	0	112.2	N61 E97 E105 F109	K57-N61 PolarHBondContact O-N 2.79Å; K57-E97 PolarHBondContact N-OE2 3.38Å; K57-E105 IonicContact NZ-OE1 3.74Å; K57-F109 HydrophobicContact CB-CE2 4.33Å; K57-F109 HydrophobicContact CG-CD2 3.79Å; K57-F109 HydrophobicContact CG-CE2 3.6Å; K57-F109 HydrophobicContact CG-CZ 4.49Å
58	N	95.2	Very high	97	Very high	80 Å²	80	48.8 Å²	48.8	43%	0.428	24%	0.238	S	C	.	.	H	α-helix	trans	-65.5	-49.8	179.2	-173.1	55.2	0	0	0	112.2	D28 S56 V60 N61 M62	D28-N58 PolarHBondContact OD2-ND2 3.44Å; D28-N58 VanDerWaalsContact OD2-ND2 3.14Å; S56-N58 PolarHBondContact O-N 3.19Å; N58-V60 VanDerWaalsContact C-N 3.26Å; N58-V60 PolarHBondContact O-N 2.65Å; N58-N61 PolarHBondContact O-N 2.89Å; N58-N61 VanDerWaalsContact O-N 3.1Å; N58-M62 WeakPolarHBondContact O-CG 3.24Å; N58-M62 PolarHBondContact O-N 2.91Å
59	L	96.7	Very high	97	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-60.6	-38.7	179.7	-178.1	62.1	0	0	0	111.2	L29 I46 S54 S56 N61 M62 M63	L29-L59 HydrophobicContact CB-CD1 4.14Å; L29-L59 HydrophobicContact CD1-CD1 4.2Å; I46-L59 HydrophobicContact CG2-CD1 4.15Å; I46-L59 HydrophobicContact CG2-CD2 3.89Å; S54-L59 VanDerWaalsContact O-CD2 3.29Å; S54-L59 WeakPolarHBondContact O-CD2 3.43Å; S56-L59 PolarHBondContact O-N 3.36Å; S56-L59 WeakPolarHBondContact OG-CB 3.04Å; S56-L59 PolarHBondContact OG-N 3.3Å; L59-N61 VanDerWaalsContact C-N 3.34Å; L59-N61 PolarHBondContact O-N 2.78Å; L59-M62 PolarHBondContact O-N 3.29Å; L59-M63 HydrophobicContact CD1-CG 4.04Å; L59-M63 HydrophobicContact CG-CG 4.2Å; L59-M63 VanDerWaalsContact O-CB 3.32Å; L59-M63 WeakPolarHBondContact O-CB 3.5Å; L59-M63 WeakPolarHBondContact O-CG 3.18Å; L59-M63 PolarHBondContact O-N 2.84Å
60	V	96.9	Very high	97.1	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-58.8	-45.3	175.8	170.4	0	0	0	0	111.3	I55 S56 N58 M63 F64 F109 K112 L116	I55-V60 HydrophobicContact CG2-CG2 3.43Å; I55-V60 VanDerWaalsContact CG2-CG2 3.43Å; S56-V60 WeakPolarHBondContact O-CG2 3.25Å; S56-V60 PolarHBondContact O-N 3.01Å; N58-V60 VanDerWaalsContact C-N 3.26Å; N58-V60 PolarHBondContact O-N 2.65Å; V60-M63 PolarHBondContact O-N 3.03Å; V60-F64 HydrophobicContact CG1-CD2 3.85Å; V60-F64 HydrophobicContact CG1-CE2 3.72Å; V60-F64 VanDerWaalsContact O-CD2 3.24Å; V60-F64 WeakPolarHBondContact O-CD2 3.38Å; V60-F64 PolarHBondContact O-N 2.96Å; V60-F109 HydrophobicContact CG2-CE2 4.38Å; V60-K112 HydrophobicContact CG1-CD 4.25Å; V60-K112 HydrophobicContact CG1-CG 3.96Å; V60-L116 HydrophobicContact CB-CD2 4.3Å; V60-L116 HydrophobicContact CG1-CB 4.49Å; V60-L116 HydrophobicContact CG1-CD2 4.13Å; V60-L116 HydrophobicContact CG2-CD2 4.3Å
61	N	96.3	Very high	97.2	Very high	61 Å²	61	42 Å²	42	33%	0.326	21%	0.207	S	C	.	.	H	α-helix	trans	-64.6	-48.2	178.5	-67.5	-19.9	0	0	0	111.9	K57 N58 L59 M63 F64 E65 K112	K57-N61 PolarHBondContact O-N 2.79Å; N58-N61 PolarHBondContact O-N 2.89Å; N58-N61 VanDerWaalsContact O-N 3.1Å; L59-N61 VanDerWaalsContact C-N 3.34Å; L59-N61 PolarHBondContact O-N 2.78Å; N61-M63 VanDerWaalsContact C-N 3.27Å; N61-M63 PolarHBondContact O-N 3.46Å; N61-F64 WeakPolarHBondContact O-CB 3.45Å; N61-F64 PolarHBondContact O-N 3.03Å; N61-F64 VanDerWaalsContact O-N 3.12Å; N61-E65 PolarHBondContact O-N 2.96Å; N61-K112 WeakPolarHBondContact OD1-CE 3.49Å; N61-K112 PolarHBondContact OD1-NZ 3Å
62	M	97.3	Very high	97.2	Very high	40 Å²	40	47.7 Å²	47.7	20%	0.197	23%	0.226	C	C	.	.	H	α-helix	trans	-60.6	-37.8	179.1	-64.7	-178.5	81.3	0	0	112.1	D27 D28 L29 N58 L59 E65 A66	D27-M62 HydrophobicContact CB-CE 4.3Å; D28-M62 HydrophobicContact CB-SD 3.91Å; L29-M62 HydrophobicContact CB-CB 4.16Å; L29-M62 HydrophobicContact CB-CE 4Å; L29-M62 HydrophobicContact CB-SD 4.28Å; L29-M62 HydrophobicContact CD2-CB 3.92Å; L29-M62 WeakPolarHBondContact CD2-O 3.36Å; N58-M62 WeakPolarHBondContact O-CG 3.24Å; N58-M62 PolarHBondContact O-N 2.91Å; L59-M62 PolarHBondContact O-N 3.29Å; M62-E65 PolarHBondContact O-N 3.33Å; M62-A66 WeakPolarHBondContact O-CB 3.16Å; M62-A66 PolarHBondContact O-N 2.74Å
63	M	97.9	Very high	97.1	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.02	21%	0.21	C	C	.	.	H	α-helix	trans	-68.2	-37.5	176.5	-74.4	-71.1	-63.6	0	0	112.2	L29 V44 L59 V60 N61 A66 V67 L81 L116	L29-M63 HydrophobicContact CD1-CG 4.33Å; L29-M63 HydrophobicContact CD1-SD 3.37Å; L29-M63 WeakPolarHBondContact CD1-SD 3.48Å; L29-M63 HydrophobicContact CD2-CG 3.98Å; L29-M63 HydrophobicContact CD2-SD 3.59Å; L29-M63 VanDerWaalsContact CD2-SD 3.59Å; L29-M63 HydrophobicContact CG-SD 4.12Å; V44-M63 HydrophobicContact CG1-CE 4.11Å; V44-M63 HydrophobicContact CG1-SD 3.74Å; L59-M63 HydrophobicContact CD1-CG 4.04Å; L59-M63 HydrophobicContact CG-CG 4.2Å; L59-M63 VanDerWaalsContact O-CB 3.32Å; L59-M63 WeakPolarHBondContact O-CB 3.5Å; L59-M63 WeakPolarHBondContact O-CG 3.18Å; L59-M63 PolarHBondContact O-N 2.84Å; V60-M63 PolarHBondContact O-N 3.03Å; N61-M63 VanDerWaalsContact C-N 3.27Å; N61-M63 PolarHBondContact O-N 3.46Å; M63-A66 PolarHBondContact O-N 3.34Å; M63-V67 WeakPolarHBondContact O-CB 3.33Å; M63-V67 VanDerWaalsContact O-CG2 3.28Å; M63-V67 WeakPolarHBondContact O-CG2 3.41Å; M63-V67 PolarHBondContact O-N 3.43Å; M63-L81 HydrophobicContact CE-CD1 4.1Å; M63-L116 HydrophobicContact CB-CD1 3.67Å; M63-L116 HydrophobicContact CB-CD2 3.51Å; M63-L116 HydrophobicContact CB-CG 4.16Å; M63-L116 HydrophobicContact CG-CD2 4.23Å
64	F	97.8	Very high	97	Very high	47 Å²	47	49 Å²	49	21%	0.206	24%	0.239	C	C	.	.	H	α-helix	trans	-61.6	-47.6	173.4	-91.5	-65.9	0	0	0	111.3	V60 N61 A66 V67 E68 K112 A115 L116 E119	V60-F64 HydrophobicContact CG1-CD2 3.85Å; V60-F64 HydrophobicContact CG1-CE2 3.72Å; V60-F64 VanDerWaalsContact O-CD2 3.24Å; V60-F64 WeakPolarHBondContact O-CD2 3.38Å; V60-F64 PolarHBondContact O-N 2.96Å; N61-F64 WeakPolarHBondContact O-CB 3.45Å; N61-F64 PolarHBondContact O-N 3.03Å; N61-F64 VanDerWaalsContact O-N 3.12Å; F64-A66 VanDerWaalsContact C-N 3.34Å; F64-A66 PolarHBondContact O-N 3.33Å; F64-V67 PolarHBondContact O-N 2.94Å; F64-E68 WeakPolarHBondContact O-CB 3.45Å; F64-E68 WeakPolarHBondContact O-CG 3.39Å; F64-E68 PolarHBondContact O-N 3.4Å; F64-K112 HydrophobicContact CE2-CG 3.91Å; F64-A115 HydrophobicContact CZ-CB 4.14Å; F64-L116 HydrophobicContact CB-CD1 4.36Å; F64-L116 HydrophobicContact CD1-CD1 3.93Å; F64-L116 HydrophobicContact CD2-CB 4.15Å; F64-L116 HydrophobicContact CD2-CD1 4.02Å; F64-L116 HydrophobicContact CE1-CB 4.11Å; F64-L116 HydrophobicContact CE1-CD1 4.24Å; F64-L116 HydrophobicContact CE2-CB 3.62Å; F64-L116 HydrophobicContact CE2-CD1 4.32Å; F64-L116 HydrophobicContact CE2-CG 4.48Å; F64-L116 HydrophobicContact CG-CD1 3.82Å; F64-L116 VanDerWaalsContact CZ-CA 3.43Å; F64-L116 HydrophobicContact CZ-CB 3.61Å; F64-L116 HydrophobicContact CZ-CD1 4.42Å; F64-L116 VanDerWaalsContact CZ-N 3.3Å; F64-E119 HydrophobicContact CD1-CG 4.39Å; F64-E119 HydrophobicContact CE1-CB 4.47Å; F64-E119 HydrophobicContact CE1-CG 3.83Å
65	E	97.6	Very high	96.9	Very high	127 Å²	127	56 Å²	56	59%	0.593	27%	0.269	S	S	*	.	H	α-helix	trans	-58.5	-47.3	177	-69.6	169.5	-168.1	0	0	110.9	N61 M62 V67 E68 D69	N61-E65 PolarHBondContact O-N 2.96Å; M62-E65 PolarHBondContact O-N 3.33Å; E65-V67 PolarHBondContact O-N 2.82Å; E65-E68 PolarHBondContact O-N 3.36Å; E65-D69 PolarHBondContact O-N 2.94Å
66	A	98.2	Very high	96.9	Very high	7 Å²	7	55.7 Å²	55.7	6%	0.058	27%	0.267	C	S	.	.	H	α-helix	trans	-60.1	-44.5	177.3	0	0	0	0	0	113	L29 V31 M62 M63 F64 D69 I70	L29-A66 HydrophobicContact CD2-CB 3.93Å; V31-A66 HydrophobicContact CG2-CB 3.63Å; M62-A66 WeakPolarHBondContact O-CB 3.16Å; M62-A66 PolarHBondContact O-N 2.74Å; M63-A66 PolarHBondContact O-N 3.34Å; F64-A66 VanDerWaalsContact C-N 3.34Å; F64-A66 PolarHBondContact O-N 3.33Å; A66-D69 PolarHBondContact O-N 2.63Å; A66-I70 WeakPolarHBondContact O-CB 3.39Å; A66-I70 WeakPolarHBondContact O-CD1 3.29Å; A66-I70 WeakPolarHBondContact O-CG1 3.26Å; A66-I70 PolarHBondContact O-N 2.72Å
67	V	98.2	Very high	97	Very high	4 Å²	4	58 Å²	58	2%	0.024	28%	0.276	C	S	.	.	H	α-helix	trans	-63.9	-42.7	177.7	166.6	0	0	0	0	110.8	M63 F64 E65 I70 K71 E119 L123	M63-V67 WeakPolarHBondContact O-CB 3.33Å; M63-V67 VanDerWaalsContact O-CG2 3.28Å; M63-V67 WeakPolarHBondContact O-CG2 3.41Å; M63-V67 PolarHBondContact O-N 3.43Å; F64-V67 PolarHBondContact O-N 2.94Å; E65-V67 PolarHBondContact O-N 2.82Å; V67-I70 PolarHBondContact O-N 3.49Å; V67-K71 HydrophobicContact CG1-CD 4.48Å; V67-K71 WeakPolarHBondContact O-CG 3.34Å; V67-K71 PolarHBondContact O-N 2.89Å; V67-E119 HydrophobicContact CG1-CB 3.94Å; V67-L123 HydrophobicContact CG1-CD2 3.99Å; V67-L123 HydrophobicContact CG1-CG 4.38Å
68	E	97.6	Very high	97.2	Very high	69 Å²	69	53.5 Å²	53.5	32%	0.322	26%	0.256	S	S	.	.	H	α-helix	trans	-64	-40.8	177.4	-77.9	-61.2	120.9	0	0	112.9	F64 E65 K71 K72	F64-E68 WeakPolarHBondContact O-CB 3.45Å; F64-E68 WeakPolarHBondContact O-CG 3.39Å; F64-E68 PolarHBondContact O-N 3.4Å; E65-E68 PolarHBondContact O-N 3.36Å; E68-K71 PolarHBondContact O-N 3.41Å; E68-K71 IonicContact OE1-NZ 3.53Å; E68-K71 PolarHBondContact OE1-NZ 3.19Å; E68-K72 WeakPolarHBondContact O-CG 3.26Å; E68-K72 PolarHBondContact O-N 3.43Å; E68-K72 IonicContact OE2-NZ 2.94Å
69	D	97.9	Very high	97.4	Very high	90 Å²	90	49.8 Å²	49.8	48%	0.481	24%	0.236	S	C	.	.	H	α-helix	trans	-65.2	-41.4	175.8	-74.9	-12.7	0	0	0	111.6	E65 A66 K72 N73	E65-D69 PolarHBondContact O-N 2.94Å; A66-D69 PolarHBondContact O-N 2.63Å; D69-K72 PolarHBondContact O-N 3.27Å; D69-N73 PolarHBondContact O-N 3.44Å
70	I	98.4	Very high	97.5	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-61.9	-45	176.2	-72.2	166	0	0	0	110.8	V42 V44 A66 V67 K72 N73 V76 V79 L123	V42-I70 HydrophobicContact CG1-CD1 3.99Å; V42-I70 HydrophobicContact CG1-CG1 4.19Å; V44-I70 HydrophobicContact CG2-CD1 3.77Å; A66-I70 WeakPolarHBondContact O-CB 3.39Å; A66-I70 WeakPolarHBondContact O-CD1 3.29Å; A66-I70 WeakPolarHBondContact O-CG1 3.26Å; A66-I70 PolarHBondContact O-N 2.72Å; V67-I70 PolarHBondContact O-N 3.49Å; I70-K72 VanDerWaalsContact C-N 3.25Å; I70-K72 PolarHBondContact O-N 3.07Å; I70-N73 PolarHBondContact O-N 3.46Å; I70-N73 VanDerWaalsContact O-N 3.14Å; I70-V76 HydrophobicContact CG2-CG1 4.22Å; I70-V79 HydrophobicContact CD1-CG1 4.36Å; I70-V79 HydrophobicContact CD1-CG2 4.28Å; I70-V79 HydrophobicContact CG2-CG2 3.82Å; I70-L123 HydrophobicContact CB-CD2 4.34Å; I70-L123 HydrophobicContact CG2-CD1 4.22Å; I70-L123 HydrophobicContact CG2-CD2 3.8Å
71	K	96.6	Very high	97.6	Very high	70 Å²	70	49.7 Å²	49.7	30%	0.304	24%	0.236	S	C	.	.	H	α-helix	trans	-58	-37.8	178.7	-75.2	176	-174.5	169.9	0	112.9	V67 E68 N73 E119 L123	V67-K71 HydrophobicContact CG1-CD 4.48Å; V67-K71 WeakPolarHBondContact O-CG 3.34Å; V67-K71 PolarHBondContact O-N 2.89Å; E68-K71 PolarHBondContact O-N 3.41Å; E68-K71 IonicContact OE1-NZ 3.53Å; E68-K71 PolarHBondContact OE1-NZ 3.19Å; K71-N73 VanDerWaalsContact C-N 3.32Å; K71-E119 IonicContact NZ-OE2 3.43Å; K71-E119 PolarHBondContact NZ-OE2 3.08Å; K71-L123 HydrophobicContact CG-CD2 3.6Å
72	K	96.4	Very high	97.7	Very high	151 Å²	151	46.9 Å²	46.9	66%	0.657	22%	0.221	S	C	*	.	H	α-helix	trans	-78.9	-16.4	-178	-67.3	166.7	-169.7	162.9	0	112.7	E68 D69 I70 N74	E68-K72 WeakPolarHBondContact O-CG 3.26Å; E68-K72 PolarHBondContact O-N 3.43Å; E68-K72 IonicContact OE2-NZ 2.94Å; D69-K72 PolarHBondContact O-N 3.27Å; I70-K72 VanDerWaalsContact C-N 3.25Å; I70-K72 PolarHBondContact O-N 3.07Å; K72-N74 PolarHBondContact O-N 2.89Å
73	N	96.9	Very high	97.8	Very high	45 Å²	45	46.3 Å²	46.3	24%	0.241	22%	0.221	C	C	.	.			trans	-93.5	99.3	-175.3	-172.1	-13.6	0	0	0	112.2	Y33 D69 I70 K71 K75 V76	Y33-N73 VanDerWaalsContact CE1-ND2 3.3Å; Y33-N73 WeakPolarHBondContact CE1-ND2 3.45Å; D69-N73 PolarHBondContact O-N 3.44Å; I70-N73 PolarHBondContact O-N 3.46Å; I70-N73 VanDerWaalsContact O-N 3.14Å; K71-N73 VanDerWaalsContact C-N 3.32Å; N73-K75 PolarHBondContact O-N 3.34Å; N73-K75 VanDerWaalsContact O-N 3.1Å; N73-K75 VanDerWaalsContact OD1-CB 3.31Å; N73-K75 WeakPolarHBondContact OD1-CB 3.38Å; N73-K75 PolarHBondContact OD1-N 3.4Å; N73-V76 HydrophobicContact CB-CG2 3.85Å; N73-V76 PolarHBondContact O-N 3.06Å; N73-V76 VanDerWaalsContact O-N 3.13Å
74	N	94.3	Very high	97.8	Very high	113 Å²	113	48.6 Å²	48.6	60%	0.604	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-15.8	-179.3	67.8	-2.5	0	0	0	114.8	K72 V76 R239	K72-N74 PolarHBondContact O-N 2.89Å; N74-V76 VanDerWaalsContact C-N 3.32Å; N74-R239 PolarHBondContact O-NH2 2.97Å
75	K	96.4	Very high	97.8	Very high	155 Å²	155	47 Å²	47	67%	0.674	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-18	177.4	-58.1	-178.7	179.5	176.3	0	112.7	N73 R77	N73-K75 PolarHBondContact O-N 3.34Å; N73-K75 VanDerWaalsContact O-N 3.1Å; N73-K75 VanDerWaalsContact OD1-CB 3.31Å; N73-K75 WeakPolarHBondContact OD1-CB 3.38Å; N73-K75 PolarHBondContact OD1-N 3.4Å; K75-R77 PolarHBondContact O-N 2.88Å
76	V	98.4	Very high	97.7	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.018	23%	0.23	C	C	.	.			trans	-68.9	130.7	176.7	-175.3	0	0	0	0	109.4	Y33 V42 I70 N73 N74 V79 V125 R239	Y33-V76 HydrophobicContact CD1-CG2 4.47Å; Y33-V76 HydrophobicContact CE1-CG2 4.08Å; V42-V76 HydrophobicContact CB-CG1 4.39Å; V42-V76 HydrophobicContact CG2-CB 4.28Å; V42-V76 HydrophobicContact CG2-CG1 3.77Å; V42-V76 HydrophobicContact CG2-CG2 3.56Å; I70-V76 HydrophobicContact CG2-CG1 4.22Å; N73-V76 HydrophobicContact CB-CG2 3.85Å; N73-V76 PolarHBondContact O-N 3.06Å; N73-V76 VanDerWaalsContact O-N 3.13Å; N74-V76 VanDerWaalsContact C-N 3.32Å; V76-V79 HydrophobicContact CG1-CG2 3.96Å; V76-V125 HydrophobicContact CG1-CG1 4.47Å; V76-V125 HydrophobicContact CG1-CG2 4.05Å; V76-V125 WeakPolarHBondContact O-CG1 3.43Å; V76-R239 PolarHBondContact O-NH2 3.25Å
77	R	98.5	Very high	97.7	Very high	49 Å²	49	47.6 Å²	47.6	19%	0.185	25%	0.25	C	C	.	.			trans	-113	-32.6	179.3	-60.5	-62.5	-165	-144.7	3	111.8	G40 K75 P126 N231 K289	G40-R77 PolarHBondContact O-N 3.34Å; K75-R77 PolarHBondContact O-N 2.88Å; R77-P126 WeakPolarHBondContact O-CD 3.46Å; R77-N231 HydrophobicContact CB-CB 4.37Å; R77-N231 VanDerWaalsContact CB-OD1 3.28Å; R77-N231 WeakPolarHBondContact CB-OD1 3.4Å; R77-K289 VanDerWaalsContact NH2-C 3.27Å; R77-K289 PolarHBondContact NH2-O 2.71Å
78	S	98.8	Very high	97.7	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	157.5	176.8	53.6	0	0	0	0	111	G40 V42 P126 N231	G40-S78 PolarHBondContact O-N 3.18Å; V42-S78 PolarHBondContact N-O 2.74Å; S78-P126 CarbonylContact C-O 3.59Å; S78-P126 WeakPolarHBondContact CA-O 3.36Å; S78-N231 PolarHBondContact OG-OD1 3.37Å
79	V	98.9	Very high	97.8	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.1	179.5	178.2	0	0	0	0	110	V42 V44 I70 V76 L123 V125 P126 T127 I128	V42-V79 HydrophobicContact CB-CG2 4.38Å; V42-V79 CarbonylContact O-C 3.58Å; V42-V79 VanDerWaalsContact O-CA 3.3Å; V42-V79 WeakPolarHBondContact O-CA 3.48Å; V44-V79 HydrophobicContact CG2-CG1 3.98Å; I70-V79 HydrophobicContact CD1-CG1 4.36Å; I70-V79 HydrophobicContact CD1-CG2 4.28Å; I70-V79 HydrophobicContact CG2-CG2 3.82Å; V76-V79 HydrophobicContact CG1-CG2 3.96Å; V79-L123 HydrophobicContact CG2-CD1 4.23Å; V79-V125 HydrophobicContact CG2-CG2 3.77Å; V79-P126 PolarHBondContact N-O 3.43Å; V79-T127 HydrophobicContact CB-CG2 4.22Å; V79-T127 CarbonylContact O-C 3.3Å; V79-T127 VanDerWaalsContact O-CA 3.3Å; V79-T127 WeakPolarHBondContact O-CA 3.49Å; V79-I128 PolarHBondContact O-N 3.02Å
80	I	98.9	Very high	97.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.5	172.4	-58.8	173.2	0	0	0	108.4	I41 V42 V43 V44 I128 A130 Y220 A223 L224 A227	I41-I80 HydrophobicContact CG2-CD1 3.79Å; I41-I80 HydrophobicContact CG2-CG1 4.14Å; V42-I80 PolarHBondContact O-N 2.84Å; V43-I80 WeakPolarHBondContact CA-O 3.44Å; V43-I80 HydrophobicContact CG2-CB 4.42Å; V44-I80 PolarHBondContact N-O 3.05Å; I80-I128 CarbonylContact C-O 3.57Å; I80-I128 WeakPolarHBondContact CA-O 3.36Å; I80-I128 HydrophobicContact CG1-CB 4.47Å; I80-A130 HydrophobicContact CG2-CB 4.12Å; I80-Y220 HydrophobicContact CG2-CD2 4.12Å; I80-Y220 HydrophobicContact CG2-CE2 4.4Å; I80-A223 HydrophobicContact CD1-CB 4.19Å; I80-A223 HydrophobicContact CG1-CB 4.42Å; I80-A223 HydrophobicContact CG2-CB 4.03Å; I80-L224 HydrophobicContact CD1-CB 4.35Å; I80-L224 HydrophobicContact CD1-CD1 4.14Å; I80-A227 HydrophobicContact CD1-CB 4.13Å
81	L	98.9	Very high	97.8	Very high	2 Å²	2	43 Å²	43	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	121.9	168.3	-179.2	63.6	0	0	0	108.7	V44 I46 M63 F89 L120 I128 A130 M142	V44-L81 HydrophobicContact CB-CD1 4.17Å; V44-L81 HydrophobicContact CG1-CD1 3.93Å; I46-L81 HydrophobicContact CD1-CD1 4.45Å; I46-L81 HydrophobicContact CG1-CD1 4.5Å; M63-L81 HydrophobicContact CE-CD1 4.1Å; L81-F89 HydrophobicContact CD2-CZ 3.93Å; L81-F89 HydrophobicContact CG-CE2 4.41Å; L81-F89 HydrophobicContact CG-CZ 3.95Å; L81-L120 HydrophobicContact CD2-CD2 3.91Å; L81-I128 PolarHBondContact N-O 3.05Å; L81-A130 PolarHBondContact O-N 3.13Å; L81-M142 HydrophobicContact CD2-CB 4.15Å
82	S	98.6	Very high	97.8	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.014	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	173	-175.5	61.3	0	0	0	0	111.6	V43 V44 G45 I46	V43-S82 WeakPolarHBondContact CG1-OG 3.49Å; V44-S82 PolarHBondContact O-N 2.99Å; G45-S82 WeakPolarHBondContact CA-O 3.41Å; I46-S82 PolarHBondContact N-O 3.18Å
83	S	98.6	Very high	97.7	Very high	28 Å²	28	34.3 Å²	34.3	20%	0.196	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	144.2	169.5	174.1	0	0	0	0	110.7	N53 V85 I88	N53-S83 WeakPolarHBondContact ND2-CB 3.44Å; N53-S83 PolarHBondContact ND2-OG 3.23Å; S83-V85 VanDerWaalsContact C-N 3.32Å; S83-V85 WeakPolarHBondContact OG-CB 3.45Å; S83-V85 PolarHBondContact OG-N 2.92Å; S83-V85 PolarHBondContact OG-O 3.17Å; S83-V85 VanDerWaalsContact OG-O 3.12Å; S83-I88 WeakPolarHBondContact CB-O 3.4Å; S83-I88 PolarHBondContact OG-O 2.9Å
84	L	98.1	Very high	97.5	Very high	52 Å²	52	33 Å²	33	27%	0.272	19%	0.194	S	C	.	.	S	Bend	trans	-95.5	8.4	168.6	-55.3	-175	0	0	0	112	K30 I46 N47	K30-L84 HydrophobicContact CB-CD1 3.9Å; K30-L84 HydrophobicContact CD-CD1 3.69Å; K30-L84 HydrophobicContact CG-CD1 3.97Å; I46-L84 PolarHBondContact O-N 3.17Å; N47-L84 HydrophobicContact CB-CB 4.2Å; N47-L84 HydrophobicContact CB-CD1 4.24Å
85	V	97.8	Very high	97.3	Very high	15 Å²	15	32.6 Å²	32.6	9%	0.091	19%	0.192	C	C	.	.	S	Bend	trans	-111.9	113.3	-179	-176.6	0	0	0	0	109.1	P49 N53 S83 G87 I88	P49-V85 HydrophobicContact CB-CG1 3.96Å; P49-V85 HydrophobicContact CB-CG2 3.92Å; P49-V85 HydrophobicContact CG-CG2 4.43Å; N53-V85 WeakPolarHBondContact OD1-CG2 3.49Å; S83-V85 VanDerWaalsContact C-N 3.32Å; S83-V85 WeakPolarHBondContact OG-CB 3.45Å; S83-V85 PolarHBondContact OG-N 2.92Å; S83-V85 PolarHBondContact OG-O 3.17Å; S83-V85 VanDerWaalsContact OG-O 3.12Å; V85-G87 PolarHBondContact O-N 2.91Å; V85-I88 HydrophobicContact CG1-CB 4.21Å; V85-I88 HydrophobicContact CG1-CD1 4.1Å; V85-I88 HydrophobicContact CG1-CG1 4.5Å; V85-I88 PolarHBondContact O-N 2.94Å
86	P	95.9	Very high	97	Very high	100 Å²	100	33 Å²	33	65%	0.649	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	137.5	-179.8	-28.4	35.7	0	0	0	113.3	I88	P86-I88 PolarHBondContact O-N 3.26Å; P86-I88 VanDerWaalsContact O-N 3.16Å
87	G	97.5	Very high	96.7	Very high	46 Å²	46	35.6 Å²	35.6	47%	0.474	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	0.2	176.2	0	0	0	0	0	115.5	V85 G133 A134	V85-G87 PolarHBondContact O-N 2.91Å; G87-G133 CarbonylContact O-C 3.44Å; G87-G133 VanDerWaalsContact O-CA 3.25Å; G87-G133 WeakPolarHBondContact O-CA 3.31Å; G87-A134 PolarHBondContact O-N 2.79Å
88	I	98.4	Very high	96.3	Very high	34 Å²	34	36 Å²	36	17%	0.174	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	124.1	179.2	-59.4	172.4	0	0	0	108.8	K52 N53 S83 V85 P86	K52-I88 HydrophobicContact CB-CD1 3.87Å; K52-I88 HydrophobicContact CB-CG2 4.12Å; K52-I88 HydrophobicContact CD-CD1 4.41Å; K52-I88 HydrophobicContact CG-CD1 3.83Å; K52-I88 VanDerWaalsContact O-CG2 3.29Å; K52-I88 WeakPolarHBondContact O-CG2 3.49Å; N53-I88 HydrophobicContact CB-CG2 4.24Å; S83-I88 WeakPolarHBondContact CB-O 3.4Å; S83-I88 PolarHBondContact OG-O 2.9Å; V85-I88 HydrophobicContact CG1-CB 4.21Å; V85-I88 HydrophobicContact CG1-CD1 4.1Å; V85-I88 HydrophobicContact CG1-CG1 4.5Å; V85-I88 PolarHBondContact O-N 2.94Å; P86-I88 PolarHBondContact O-N 3.26Å; P86-I88 VanDerWaalsContact O-N 3.16Å
89	F	98.9	Very high	96	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-65.2	167.3	179.6	-101.9	0	0	0	109.6	N53 L81 A129 A130 I131 A134 A135 G139 A143	N53-F89 VanDerWaalsContact CB-O 3.31Å; N53-F89 WeakPolarHBondContact CB-O 3.34Å; N53-F89 PolarHBondContact ND2-O 2.74Å; L81-F89 HydrophobicContact CD2-CZ 3.93Å; L81-F89 HydrophobicContact CG-CE2 4.41Å; L81-F89 HydrophobicContact CG-CZ 3.95Å; F89-A129 HydrophobicContact CZ-CB 4.42Å; F89-A130 VanDerWaalsContact CD2-O 3.25Å; F89-A130 WeakPolarHBondContact CD2-O 3.39Å; F89-A130 WeakPolarHBondContact CE2-O 3.41Å; F89-I131 HydrophobicContact CB-CG2 4.07Å; F89-I131 HydrophobicContact CD2-CG1 4.4Å; F89-I131 HydrophobicContact CE2-CG1 4.42Å; F89-I131 HydrophobicContact CG-CG2 4.24Å; F89-A134 WeakPolarHBondContact CA-O 3.5Å; F89-A134 WeakPolarHBondContact CB-O 3.44Å; F89-A134 PolarHBondContact N-O 3.23Å; F89-A135 HydrophobicContact CB-CB 3.97Å; F89-A135 HydrophobicContact CD1-CB 3.63Å; F89-A135 HydrophobicContact CG-CB 4.15Å; F89-G139 WeakPolarHBondContact CE1-O 3.27Å; F89-A143 HydrophobicContact CE1-CB 4.05Å; F89-A143 HydrophobicContact CZ-CB 4.35Å
90	C	98.8	Very high	95.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	124.9	176.5	173.6	0	0	0	0	109.5	N53 G92 A134 A135 L136 G139 M142	N53-C90 HydrophobicContact CB-CB 4.41Å; N53-C90 PolarHBondContact O-SG 3.08Å; C90-G92 PolarHBondContact O-N 2.73Å; C90-G92 PolarHBondContact SG-N 2.85Å; C90-A134 PolarHBondContact N-O 3.45Å; C90-A135 CarbonylContact O-C 3.42Å; C90-A135 WeakPolarHBondContact O-CA 3.15Å; C90-L136 PolarHBondContact O-N 2.91Å; C90-G139 WeakPolarHBondContact SG-CA 3.3Å; C90-M142 HydrophobicContact CB-CE 3.86Å
91	A	97.7	Very high	95.6	Very high	38 Å²	38	50 Å²	50	31%	0.314	29%	0.285	S	S	.	.			trans	-79.9	6.1	-178.7	0	0	0	0	0	114.7	K52 L136	K52-A91 HydrophobicContact CB-CB 3.84Å; K52-A91 VanDerWaalsContact O-CB 3.3Å; K52-A91 WeakPolarHBondContact O-CB 3.47Å; K52-A91 PolarHBondContact O-N 3.14Å; K52-A91 VanDerWaalsContact O-N 3.08Å; A91-L136 CarbonylContact C-O 3.58Å
92	G	96.3	Very high	95.4	Very high	2 Å²	2	55.9 Å²	55.9	2%	0.021	31%	0.312	C	S	.	.			trans	84.8	-152.1	-177.3	0	0	0	0	0	112.5	S54 I55 C90 L136	S54-G92 CarbonylContact C-O 3.57Å; S54-G92 WeakPolarHBondContact CA-O 3.47Å; I55-G92 PolarHBondContact N-O 3Å; C90-G92 PolarHBondContact O-N 2.73Å; C90-G92 PolarHBondContact SG-N 2.85Å; G92-L136 WeakPolarHBondContact CA-O 3.31Å; G92-L136 PolarHBondContact N-O 3.44Å; G92-L136 VanDerWaalsContact N-O 3.09Å
93	A	94.6	Very high	95.2	Very high	35 Å²	35	64 Å²	64	29%	0.289	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-57.8	143.1	-175.3	0	0	0	0	0	113	L95	A93-L95 PolarHBondContact O-N 3.18Å
94	D	93.9	Very high	95.1	Very high	17 Å²	17	66.5 Å²	66.5	9%	0.091	37%	0.368	C	S	.	.			trans	-70.5	100.4	171.1	-162.8	-47.9	0	0	0	110.8	R48 S54 I55 K96 E97 R98	R48-D94 IonicContact NH1-OD2 2.79Å; R48-D94 IonicContact NH2-OD2 3.96Å; S54-D94 PolarHBondContact OG-OD2 3.08Å; I55-D94 PolarHBondContact O-N 3.25Å; I55-D94 VanDerWaalsContact O-N 3.15Å; D94-K96 PolarHBondContact O-N 3.17Å; D94-K96 WeakPolarHBondContact OD1-CB 3.16Å; D94-K96 PolarHBondContact OD1-N 2.87Å; D94-E97 HydrophobicContact CB-CB 4.14Å; D94-E97 HydrophobicContact CB-CG 4.14Å; D94-E97 PolarHBondContact O-N 2.89Å; D94-E97 PolarHBondContact OD1-N 3.02Å; D94-R98 WeakPolarHBondContact O-CB 3.28Å; D94-R98 PolarHBondContact O-N 2.87Å
95	L	89.1	Confident	94.9	Very high	106 Å²	106	67.9 Å²	67.9	56%	0.555	37%	0.373	S	S	*	.	H	α-helix	trans	-65	-25.4	-178.4	-62.1	-177.7	0	0	0	112.9	A93 R98 A99 L164	A93-L95 PolarHBondContact O-N 3.18Å; L95-R98 PolarHBondContact O-N 3.26Å; L95-A99 WeakPolarHBondContact O-CB 3.37Å; L95-A99 PolarHBondContact O-N 3.04Å; L95-L164 HydrophobicContact CD2-CD1 4.31Å
96	K	91.6	Very high	94.8	Very high	164 Å²	164	69.5 Å²	69.5	71%	0.713	38%	0.383	S	S	*	.	H	α-helix	trans	-72.7	-39.3	176.7	-64.1	-180	179.6	177.1	0	111.2	D94	D94-K96 PolarHBondContact O-N 3.17Å; D94-K96 WeakPolarHBondContact OD1-CB 3.16Å; D94-K96 PolarHBondContact OD1-N 2.87Å
97	E	91.8	Very high	94.7	Very high	56 Å²	56	66.7 Å²	66.7	26%	0.262	37%	0.372	S	S	.	.	H	α-helix	trans	-66.9	-43.6	170.5	-68.6	-172	-172.1	0	0	110.4	S56 K57 D94 A99 K100 M101	S56-E97 WeakPolarHBondContact CA-OE2 3.46Å; S56-E97 WeakPolarHBondContact CB-OE1 3.47Å; K57-E97 PolarHBondContact N-OE2 3.38Å; D94-E97 HydrophobicContact CB-CB 4.14Å; D94-E97 HydrophobicContact CB-CG 4.14Å; D94-E97 PolarHBondContact O-N 2.89Å; D94-E97 PolarHBondContact OD1-N 3.02Å; E97-A99 VanDerWaalsContact C-N 3.33Å; E97-A99 PolarHBondContact O-N 2.85Å; E97-K100 PolarHBondContact O-N 3.05Å; E97-M101 HydrophobicContact CB-CE 4.03Å; E97-M101 WeakPolarHBondContact O-CG 3.12Å; E97-M101 PolarHBondContact O-N 3.3Å
98	R	90.4	Very high	94.7	Very high	59 Å²	59	68.4 Å²	68.4	22%	0.223	38%	0.375	C	S	.	.	H	α-helix	trans	-59.4	-42.2	-177.9	-161	67.7	64.7	143.6	9.8	113	D94 L95 K100 M101	D94-R98 WeakPolarHBondContact O-CB 3.28Å; D94-R98 PolarHBondContact O-N 2.87Å; L95-R98 PolarHBondContact O-N 3.26Å; R98-K100 PolarHBondContact O-N 3.4Å; R98-K100 VanDerWaalsContact O-N 3.17Å; R98-M101 PolarHBondContact O-N 3.12Å
99	A	92	Very high	94.6	Very high	90 Å²	90	67.5 Å²	67.5	74%	0.744	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.1	178.4	0	0	0	0	0	113.8	L95 E97	L95-A99 WeakPolarHBondContact O-CB 3.37Å; L95-A99 PolarHBondContact O-N 3.04Å; E97-A99 VanDerWaalsContact C-N 3.33Å; E97-A99 PolarHBondContact O-N 2.85Å
100	K	94.6	Very high	94.4	Very high	181 Å²	181	68.9 Å²	68.9	79%	0.787	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-6.6	179.3	-62.9	178.9	-178.8	-176.6	0	113.5	E97 R98	E97-K100 PolarHBondContact O-N 3.05Å; R98-K100 PolarHBondContact O-N 3.4Å; R98-K100 VanDerWaalsContact O-N 3.17Å
101	M	93.6	Very high	94.3	Very high	23 Å²	23	71.6 Å²	71.6	11%	0.113	40%	0.397	C	S	.	.	S	Bend	trans	-77.4	137.9	-179.2	-69.6	-176.1	-165.4	0	0	110.7	E97 R98 E105 V106 F109	E97-M101 HydrophobicContact CB-CE 4.03Å; E97-M101 WeakPolarHBondContact O-CG 3.12Å; E97-M101 PolarHBondContact O-N 3.3Å; R98-M101 PolarHBondContact O-N 3.12Å; M101-E105 HydrophobicContact CB-CB 4.33Å; M101-V106 HydrophobicContact CB-CG2 4.09Å; M101-F109 HydrophobicContact CE-CB 4.41Å; M101-F109 HydrophobicContact CE-CD1 3.63Å; M101-F109 HydrophobicContact CE-CD2 4.25Å; M101-F109 HydrophobicContact CE-CE1 3.88Å; M101-F109 HydrophobicContact CE-CE2 4.48Å; M101-F109 HydrophobicContact CE-CG 3.83Å; M101-F109 HydrophobicContact CE-CZ 4.31Å; M101-F109 HydrophobicContact SD-CB 4.08Å; M101-F109 HydrophobicContact SD-CD1 3.94Å; M101-F109 HydrophobicContact SD-CG 4.09Å
102	H	95.6	Very high	94.3	Very high	125 Å²	125	74.2 Å²	74.2	58%	0.579	40%	0.401	S	S	*	.			trans	-68.6	151.8	166.1	-173	-97.8	0	0	0	110.2	S104 E105 V106	H102-S104 PolarHBondContact ND1-N 3.47Å; H102-S104 PolarHBondContact ND1-OG 3.39Å; H102-S104 PolarHBondContact O-N 3.08Å; H102-S104 VanDerWaalsContact O-N 3.12Å; H102-E105 HydrophobicContact CB-CG 4.28Å; H102-E105 PolarHBondContact N-OE2 3.3Å; H102-E105 WeakPolarHBondContact O-CB 3.35Å; H102-E105 PolarHBondContact O-N 3.41Å; H102-V106 PolarHBondContact O-N 3.03Å
103	Q	94.4	Very high	94.3	Very high	172 Å²	172	74.5 Å²	74.5	80%	0.804	40%	0.404	S	S	*	.	H	α-helix	trans	-54.2	-37.2	-176.5	-171.1	178.6	14.7	0	0	112.8	E105 V106	Q103-E105 VanDerWaalsContact C-N 3.26Å; Q103-E105 PolarHBondContact O-N 3.49Å; Q103-V106 PolarHBondContact O-N 2.85Å
104	S	95.9	Very high	94.5	Very high	81 Å²	81	77.7 Å²	77.7	57%	0.566	41%	0.408	S	S	*	.	H	α-helix	trans	-67.6	-20.7	177	60	0	0	0	0	114.3	H102 P108	H102-S104 PolarHBondContact ND1-N 3.47Å; H102-S104 PolarHBondContact ND1-OG 3.39Å; H102-S104 PolarHBondContact O-N 3.08Å; H102-S104 VanDerWaalsContact O-N 3.12Å; S104-P108 WeakPolarHBondContact O-CD 3.22Å; S104-P108 WeakPolarHBondContact O-CG 3.36Å
105	E	94.8	Very high	94.7	Very high	81 Å²	81	78.9 Å²	78.9	38%	0.379	42%	0.42	S	S	.	.	H	α-helix	trans	-88.3	-23.5	178.5	-60.6	-178.4	100.1	0	0	112.7	K57 M101 H102 Q103 P108 F109	K57-E105 IonicContact NZ-OE1 3.74Å; M101-E105 HydrophobicContact CB-CB 4.33Å; H102-E105 HydrophobicContact CB-CG 4.28Å; H102-E105 PolarHBondContact N-OE2 3.3Å; H102-E105 WeakPolarHBondContact O-CB 3.35Å; H102-E105 PolarHBondContact O-N 3.41Å; Q103-E105 VanDerWaalsContact C-N 3.26Å; Q103-E105 PolarHBondContact O-N 3.49Å; E105-P108 WeakPolarHBondContact O-CD 3.18Å; E105-F109 WeakPolarHBondContact O-CB 3.31Å; E105-F109 PolarHBondContact O-N 3.15Å
106	V	94.2	Very high	95.2	Very high	50 Å²	50	74.1 Å²	74.1	30%	0.303	40%	0.395	S	S	.	.	H	α-helix	trans	-61	-51.3	-174.7	176.1	0	0	0	0	110.9	M101 H102 Q103 F109 V110	M101-V106 HydrophobicContact CB-CG2 4.09Å; H102-V106 PolarHBondContact O-N 3.03Å; Q103-V106 PolarHBondContact O-N 2.85Å; V106-F109 PolarHBondContact O-N 3.13Å; V106-V110 HydrophobicContact CG1-CG2 4.44Å; V106-V110 WeakPolarHBondContact O-CG2 3.4Å; V106-V110 PolarHBondContact O-N 3.1Å
107	G	95.5	Very high	95.5	Very high	40 Å²	40	66.4 Å²	66.4	41%	0.412	36%	0.362	S	S	.	.	H	α-helix	trans	-56.9	-55.9	179.8	0	0	0	0	0	112.8	F109 V110 S111	G107-F109 VanDerWaalsContact C-N 3.31Å; G107-F109 PolarHBondContact O-N 3.08Å; G107-V110 PolarHBondContact O-N 2.99Å; G107-S111 PolarHBondContact O-N 2.92Å; G107-S111 PolarHBondContact O-OG 3.38Å
108	P	96.9	Very high	95.8	Very high	83 Å²	83	66.1 Å²	66.1	54%	0.539	36%	0.364	S	S	.	.	H	α-helix	trans	-53.5	-42.2	175.3	-29.8	36.1	0	0	0	114	S104 E105 S111 K112	S104-P108 WeakPolarHBondContact O-CD 3.22Å; S104-P108 WeakPolarHBondContact O-CG 3.36Å; E105-P108 WeakPolarHBondContact O-CD 3.18Å; P108-S111 PolarHBondContact O-N 3.46Å; P108-K112 WeakPolarHBondContact O-CB 3.49Å; P108-K112 PolarHBondContact O-N 3.09Å
109	F	95.4	Very high	96.2	Very high	14 Å²	14	66.1 Å²	66.1	6%	0.061	37%	0.366	C	S	.	.	H	α-helix	trans	-66.9	-44	178.5	177.7	-110.1	0	0	0	112.6	K57 V60 M101 E105 V106 G107 S111 K112 A113	K57-F109 HydrophobicContact CB-CE2 4.33Å; K57-F109 HydrophobicContact CG-CD2 3.79Å; K57-F109 HydrophobicContact CG-CE2 3.6Å; K57-F109 HydrophobicContact CG-CZ 4.49Å; V60-F109 HydrophobicContact CG2-CE2 4.38Å; M101-F109 HydrophobicContact CE-CB 4.41Å; M101-F109 HydrophobicContact CE-CD1 3.63Å; M101-F109 HydrophobicContact CE-CD2 4.25Å; M101-F109 HydrophobicContact CE-CE1 3.88Å; M101-F109 HydrophobicContact CE-CE2 4.48Å; M101-F109 HydrophobicContact CE-CG 3.83Å; M101-F109 HydrophobicContact CE-CZ 4.31Å; M101-F109 HydrophobicContact SD-CB 4.08Å; M101-F109 HydrophobicContact SD-CD1 3.94Å; M101-F109 HydrophobicContact SD-CG 4.09Å; E105-F109 WeakPolarHBondContact O-CB 3.31Å; E105-F109 PolarHBondContact O-N 3.15Å; V106-F109 PolarHBondContact O-N 3.13Å; G107-F109 VanDerWaalsContact C-N 3.31Å; G107-F109 PolarHBondContact O-N 3.08Å; F109-S111 VanDerWaalsContact C-N 3.34Å; F109-S111 PolarHBondContact O-N 2.96Å; F109-K112 PolarHBondContact O-N 3.46Å; F109-A113 PolarHBondContact O-N 2.82Å
110	V	95.8	Very high	96.5	Very high	29 Å²	29	62.1 Å²	62.1	18%	0.176	33%	0.332	C	S	.	.	H	α-helix	trans	-60.7	-44.9	174.8	177.6	0	0	0	0	110.7	V106 G107 K112 A113 R114 G169	V106-V110 HydrophobicContact CG1-CG2 4.44Å; V106-V110 WeakPolarHBondContact O-CG2 3.4Å; V106-V110 PolarHBondContact O-N 3.1Å; G107-V110 PolarHBondContact O-N 2.99Å; V110-K112 VanDerWaalsContact C-N 3.31Å; V110-K112 PolarHBondContact O-N 2.96Å; V110-A113 PolarHBondContact O-N 3.48Å; V110-R114 PolarHBondContact O-N 2.9Å; V110-G169 VanDerWaalsContact CG1-O 3.31Å; V110-G169 WeakPolarHBondContact CG1-O 3.39Å
111	S	97.4	Very high	96.6	Very high	58 Å²	58	55.3 Å²	55.3	41%	0.406	31%	0.305	S	S	.	.	H	α-helix	trans	-61.9	-39.2	178	-67.6	0	0	0	0	112.1	G107 P108 F109 R114 A115	G107-S111 PolarHBondContact O-N 2.92Å; G107-S111 PolarHBondContact O-OG 3.38Å; P108-S111 PolarHBondContact O-N 3.46Å; F109-S111 VanDerWaalsContact C-N 3.34Å; F109-S111 PolarHBondContact O-N 2.96Å; S111-R114 WeakPolarHBondContact O-CB 3.49Å; S111-R114 PolarHBondContact O-N 2.92Å; S111-A115 WeakPolarHBondContact O-CB 3.28Å; S111-A115 PolarHBondContact O-N 3.27Å
112	K	97.3	Very high	96.8	Very high	92 Å²	92	58.9 Å²	58.9	40%	0.4	32%	0.324	S	S	.	.	H	α-helix	trans	-65.7	-41.5	175.8	-171.2	174.4	177.9	178.2	0	112.2	V60 N61 F64 P108 F109 V110 A115 L116	V60-K112 HydrophobicContact CG1-CD 4.25Å; V60-K112 HydrophobicContact CG1-CG 3.96Å; N61-K112 WeakPolarHBondContact OD1-CE 3.49Å; N61-K112 PolarHBondContact OD1-NZ 3Å; F64-K112 HydrophobicContact CE2-CG 3.91Å; P108-K112 WeakPolarHBondContact O-CB 3.49Å; P108-K112 PolarHBondContact O-N 3.09Å; F109-K112 PolarHBondContact O-N 3.46Å; V110-K112 VanDerWaalsContact C-N 3.31Å; V110-K112 PolarHBondContact O-N 2.96Å; K112-A115 PolarHBondContact O-N 3.3Å; K112-L116 PolarHBondContact O-N 2.91Å
113	A	96.8	Very high	97	Very high	9 Å²	9	53 Å²	53	7%	0.074	30%	0.297	C	S	.	.	H	α-helix	trans	-63.7	-42.3	173.5	0	0	0	0	0	111.6	F109 V110 A115 L116 I117	F109-A113 PolarHBondContact O-N 2.82Å; V110-A113 PolarHBondContact O-N 3.48Å; A113-A115 PolarHBondContact O-N 3.26Å; A113-L116 WeakPolarHBondContact O-CB 3.35Å; A113-L116 PolarHBondContact O-N 3.39Å; A113-I117 WeakPolarHBondContact O-CG1 3.47Å; A113-I117 PolarHBondContact O-N 2.92Å; A113-I117 VanDerWaalsContact O-N 3.1Å
114	R	98.4	Very high	97.1	Very high	101 Å²	101	47.4 Å²	47.4	38%	0.381	28%	0.277	S	S	.	.	H	α-helix	trans	-59.7	-45.5	174.4	-169.1	-174.7	-52.2	129.4	6.4	111.9	V110 S111 L116 I117 T118 G169 A170	V110-R114 PolarHBondContact O-N 2.9Å; S111-R114 WeakPolarHBondContact O-CB 3.49Å; S111-R114 PolarHBondContact O-N 2.92Å; R114-L116 VanDerWaalsContact C-N 3.34Å; R114-L116 PolarHBondContact O-N 3.18Å; R114-I117 PolarHBondContact O-N 3.39Å; R114-T118 PolarHBondContact O-N 3.48Å; R114-T118 PolarHBondContact O-OG1 2.83Å; R114-G169 VanDerWaalsContact CZ-O 3.23Å; R114-G169 PolarHBondContact NE-O 2.8Å; R114-G169 PolarHBondContact NH2-O 3.19Å; R114-A170 HydrophobicContact CB-CB 4.39Å
115	A	98.4	Very high	97.3	Very high	42 Å²	42	43.8 Å²	43.8	35%	0.347	25%	0.252	S	S	.	.	H	α-helix	trans	-59.4	-45.2	177.7	0	0	0	0	0	111.1	F64 S111 K112 A113 I117 T118 E119	F64-A115 HydrophobicContact CZ-CB 4.14Å; S111-A115 WeakPolarHBondContact O-CB 3.28Å; S111-A115 PolarHBondContact O-N 3.27Å; K112-A115 PolarHBondContact O-N 3.3Å; A113-A115 PolarHBondContact O-N 3.26Å; A115-I117 VanDerWaalsContact C-N 3.34Å; A115-I117 PolarHBondContact O-N 3.09Å; A115-T118 CarbonylContact O-C 3.11Å; A115-T118 WeakPolarHBondContact O-CB 3.34Å; A115-T118 PolarHBondContact O-N 2.8Å; A115-T118 VanDerWaalsContact O-N 3.15Å; A115-E119 WeakPolarHBondContact O-CG 3.48Å; A115-E119 PolarHBondContact O-N 3.3Å
116	L	97.8	Very high	97.5	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-56.1	-48	175.1	171.7	64.3	0	0	0	112.2	V60 M63 F64 K112 A113 R114 T118 E119 L120	V60-L116 HydrophobicContact CB-CD2 4.3Å; V60-L116 HydrophobicContact CG1-CB 4.49Å; V60-L116 HydrophobicContact CG1-CD2 4.13Å; V60-L116 HydrophobicContact CG2-CD2 4.3Å; M63-L116 HydrophobicContact CB-CD1 3.67Å; M63-L116 HydrophobicContact CB-CD2 3.51Å; M63-L116 HydrophobicContact CB-CG 4.16Å; M63-L116 HydrophobicContact CG-CD2 4.23Å; F64-L116 HydrophobicContact CB-CD1 4.36Å; F64-L116 HydrophobicContact CD1-CD1 3.93Å; F64-L116 HydrophobicContact CD2-CB 4.15Å; F64-L116 HydrophobicContact CD2-CD1 4.02Å; F64-L116 HydrophobicContact CE1-CB 4.11Å; F64-L116 HydrophobicContact CE1-CD1 4.24Å; F64-L116 HydrophobicContact CE2-CB 3.62Å; F64-L116 HydrophobicContact CE2-CD1 4.32Å; F64-L116 HydrophobicContact CE2-CG 4.48Å; F64-L116 HydrophobicContact CG-CD1 3.82Å; F64-L116 VanDerWaalsContact CZ-CA 3.43Å; F64-L116 HydrophobicContact CZ-CB 3.61Å; F64-L116 HydrophobicContact CZ-CD1 4.42Å; F64-L116 VanDerWaalsContact CZ-N 3.3Å; K112-L116 PolarHBondContact O-N 2.91Å; A113-L116 WeakPolarHBondContact O-CB 3.35Å; A113-L116 PolarHBondContact O-N 3.39Å; R114-L116 VanDerWaalsContact C-N 3.34Å; R114-L116 PolarHBondContact O-N 3.18Å; L116-T118 VanDerWaalsContact C-N 3.25Å; L116-T118 PolarHBondContact O-N 2.88Å; L116-E119 PolarHBondContact O-N 3.31Å; L116-E119 VanDerWaalsContact O-N 3.1Å; L116-L120 PolarHBondContact O-N 2.72Å
117	I	98.2	Very high	97.7	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.015	22%	0.224	C	C	.	.	H	α-helix	trans	-63.3	-36.4	-179.4	-65.8	-174.5	0	0	0	110.7	A113 R114 A115 L120 D121 E141 M142 A145 A170	A113-I117 WeakPolarHBondContact O-CG1 3.47Å; A113-I117 PolarHBondContact O-N 2.92Å; A113-I117 VanDerWaalsContact O-N 3.1Å; R114-I117 PolarHBondContact O-N 3.39Å; A115-I117 VanDerWaalsContact C-N 3.34Å; A115-I117 PolarHBondContact O-N 3.09Å; I117-L120 WeakPolarHBondContact O-CB 3.28Å; I117-L120 PolarHBondContact O-N 3.49Å; I117-D121 PolarHBondContact O-N 3.45Å; I117-D121 VanDerWaalsContact O-N 3.11Å; I117-E141 HydrophobicContact CD1-CB 3.89Å; I117-E141 WeakPolarHBondContact CG2-O 3.37Å; I117-M142 HydrophobicContact CD1-CB 4.48Å; I117-M142 HydrophobicContact CD1-CG 3.69Å; I117-M142 HydrophobicContact CG1-CG 3.73Å; I117-A145 HydrophobicContact CG2-CB 3.39Å; I117-A145 WeakPolarHBondContact O-CB 3.48Å; I117-A170 HydrophobicContact CD1-CB 3.5Å; I117-A170 VanDerWaalsContact CD1-CB 3.5Å
118	T	98.4	Very high	97.8	Very high	49 Å²	49	36.4 Å²	36.4	30%	0.301	21%	0.205	S	C	.	.	H	α-helix	trans	-67.4	-36.4	172.2	-63.8	0	0	0	0	112.7	R114 A115 L116 L120 D121 N122 R175	R114-T118 PolarHBondContact O-N 3.48Å; R114-T118 PolarHBondContact O-OG1 2.83Å; A115-T118 CarbonylContact O-C 3.11Å; A115-T118 WeakPolarHBondContact O-CB 3.34Å; A115-T118 PolarHBondContact O-N 2.8Å; A115-T118 VanDerWaalsContact O-N 3.15Å; L116-T118 VanDerWaalsContact C-N 3.25Å; L116-T118 PolarHBondContact O-N 2.88Å; T118-L120 VanDerWaalsContact C-N 3.3Å; T118-L120 PolarHBondContact O-N 2.83Å; T118-D121 WeakPolarHBondContact O-CB 3.44Å; T118-D121 PolarHBondContact O-N 3.36Å; T118-N122 WeakPolarHBondContact O-CB 3.46Å; T118-N122 VanDerWaalsContact O-CG 3.28Å; T118-N122 PolarHBondContact O-N 2.8Å; T118-N122 PolarHBondContact O-ND2 2.96Å; T118-R175 PolarHBondContact OG1-NH2 3.12Å
119	E	98.3	Very high	97.9	Very high	59 Å²	59	32.5 Å²	32.5	28%	0.276	18%	0.179	S	C	.	.	H	α-helix	trans	-66.1	-33.4	174.1	-66.8	-50.7	138.1	0	0	112.7	F64 V67 K71 A115 L116 L123	F64-E119 HydrophobicContact CD1-CG 4.39Å; F64-E119 HydrophobicContact CE1-CB 4.47Å; F64-E119 HydrophobicContact CE1-CG 3.83Å; V67-E119 HydrophobicContact CG1-CB 3.94Å; K71-E119 IonicContact NZ-OE2 3.43Å; K71-E119 PolarHBondContact NZ-OE2 3.08Å; A115-E119 WeakPolarHBondContact O-CG 3.48Å; A115-E119 PolarHBondContact O-N 3.3Å; L116-E119 PolarHBondContact O-N 3.31Å; L116-E119 VanDerWaalsContact O-N 3.1Å; E119-L123 PolarHBondContact O-N 3.23Å
120	L	98	Very high	98.1	Very high	6 Å²	6	31.9 Å²	31.9	3%	0.031	18%	0.176	C	C	.	.	H	α-helix	trans	-64.2	-46.7	172.1	177.3	67.9	0	0	0	111.5	L81 L116 I117 T118 N122 L123 A145	L81-L120 HydrophobicContact CD2-CD2 3.91Å; L116-L120 PolarHBondContact O-N 2.72Å; I117-L120 WeakPolarHBondContact O-CB 3.28Å; I117-L120 PolarHBondContact O-N 3.49Å; T118-L120 VanDerWaalsContact C-N 3.3Å; T118-L120 PolarHBondContact O-N 2.83Å; L120-N122 VanDerWaalsContact C-N 3.28Å; L120-N122 PolarHBondContact O-N 3.16Å; L120-L123 HydrophobicContact CD1-CD1 3.96Å; L120-L123 WeakPolarHBondContact O-CB 3.49Å; L120-L123 WeakPolarHBondContact O-CG 3.29Å; L120-L123 PolarHBondContact O-N 3.28Å; L120-A145 HydrophobicContact CD2-CB 4.46Å
121	D	97.9	Very high	98.3	Very high	38 Å²	38	30.5 Å²	30.5	20%	0.203	17%	0.168	C	C	.	.	H	α-helix	trans	-54.9	-45.1	175.9	-157.5	-12.2	0	0	0	111.3	I117 T118 L123 A145 R175 K242	I117-D121 PolarHBondContact O-N 3.45Å; I117-D121 VanDerWaalsContact O-N 3.11Å; T118-D121 WeakPolarHBondContact O-CB 3.44Å; T118-D121 PolarHBondContact O-N 3.36Å; D121-L123 VanDerWaalsContact C-N 3.26Å; D121-L123 PolarHBondContact O-N 2.92Å; D121-A145 WeakPolarHBondContact CA-O 3.13Å; D121-A145 HydrophobicContact CB-CB 4.09Å; D121-R175 IonicContact OD2-CZ 2.8Å; D121-R175 VanDerWaalsContact OD2-CZ 3.31Å; D121-R175 IonicContact OD2-NE 3.79Å; D121-R175 PolarHBondContact OD2-NE 3.38Å; D121-R175 IonicContact OD2-NH2 3.76Å; D121-R175 PolarHBondContact OD2-NH2 2.83Å; D121-K242 WeakPolarHBondContact O-CE 3.49Å; D121-K242 PolarHBondContact O-NZ 3.39Å; D121-K242 VanDerWaalsContact O-NZ 3.09Å
122	N	98.1	Very high	98.3	Very high	98 Å²	98	28.8 Å²	28.8	52%	0.524	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	2.7	-177.2	-71.4	-23.4	0	0	0	115	T118 L120 S124	T118-N122 WeakPolarHBondContact O-CB 3.46Å; T118-N122 VanDerWaalsContact O-CG 3.28Å; T118-N122 PolarHBondContact O-N 2.8Å; T118-N122 PolarHBondContact O-ND2 2.96Å; L120-N122 VanDerWaalsContact C-N 3.28Å; L120-N122 PolarHBondContact O-N 3.16Å; N122-S124 PolarHBondContact O-N 2.87Å
123	L	98.6	Very high	98.4	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.01	14%	0.137	C	C	.	.			trans	-56.2	130.5	171	-78.9	179.3	0	0	0	109.9	V67 I70 K71 V79 E119 L120 D121 V125 T127 K242	V67-L123 HydrophobicContact CG1-CD2 3.99Å; V67-L123 HydrophobicContact CG1-CG 4.38Å; I70-L123 HydrophobicContact CB-CD2 4.34Å; I70-L123 HydrophobicContact CG2-CD1 4.22Å; I70-L123 HydrophobicContact CG2-CD2 3.8Å; K71-L123 HydrophobicContact CG-CD2 3.6Å; V79-L123 HydrophobicContact CG2-CD1 4.23Å; E119-L123 PolarHBondContact O-N 3.23Å; L120-L123 HydrophobicContact CD1-CD1 3.96Å; L120-L123 WeakPolarHBondContact O-CB 3.49Å; L120-L123 WeakPolarHBondContact O-CG 3.29Å; L120-L123 PolarHBondContact O-N 3.28Å; D121-L123 VanDerWaalsContact C-N 3.26Å; D121-L123 PolarHBondContact O-N 2.92Å; L123-V125 HydrophobicContact CB-CG2 4.49Å; L123-V125 PolarHBondContact O-N 2.84Å; L123-V125 VanDerWaalsContact O-N 3.16Å; L123-T127 HydrophobicContact CB-CG2 4.03Å; L123-T127 HydrophobicContact CD1-CG2 3.83Å; L123-K242 WeakPolarHBondContact O-CD 3.11Å; L123-K242 WeakPolarHBondContact O-CE 3.36Å; L123-K242 PolarHBondContact O-NZ 3.1Å
124	S	97.9	Very high	98.5	Very high	55 Å²	55	25.5 Å²	25.5	39%	0.385	15%	0.145	S	C	.	.	S	Bend	trans	-66.9	-19.9	-176	60.3	0	0	0	0	113.5	N122 R239	N122-S124 PolarHBondContact O-N 2.87Å; S124-R239 WeakPolarHBondContact O-CA 3.42Å; S124-R239 VanDerWaalsContact O-CG 3.31Å; S124-R239 WeakPolarHBondContact O-CG 3.45Å
125	V	98.8	Very high	98.5	Very high	5 Å²	5	20.7 Å²	20.7	3%	0.03	13%	0.126	C	C	.	.	S	Bend	trans	-95.5	156.9	178.7	-65.2	0	0	0	0	111.4	V76 V79 L123 R239 K242	V76-V125 HydrophobicContact CG1-CG1 4.47Å; V76-V125 HydrophobicContact CG1-CG2 4.05Å; V76-V125 WeakPolarHBondContact O-CG1 3.43Å; V79-V125 HydrophobicContact CG2-CG2 3.77Å; L123-V125 HydrophobicContact CB-CG2 4.49Å; L123-V125 PolarHBondContact O-N 2.84Å; L123-V125 VanDerWaalsContact O-N 3.16Å; V125-R239 HydrophobicContact CG1-CG 4.49Å; V125-K242 PolarHBondContact O-NZ 3.1Å
126	P	98.8	Very high	98.5	Very high	15 Å²	15	20.5 Å²	20.5	10%	0.097	12%	0.12	C	C	.	.			trans	-57.8	137.8	172.1	-27.6	37.9	0	0	0	112.6	R77 S78 V79 D147 I230 V238	R77-P126 WeakPolarHBondContact O-CD 3.46Å; S78-P126 CarbonylContact C-O 3.59Å; S78-P126 WeakPolarHBondContact CA-O 3.36Å; V79-P126 PolarHBondContact N-O 3.43Å; P126-D147 WeakPolarHBondContact CA-OD2 3.31Å; P126-I230 HydrophobicContact CB-CD1 4.33Å; P126-I230 HydrophobicContact CB-CG2 4.36Å; P126-I230 HydrophobicContact CG-CG2 3.93Å; P126-V238 HydrophobicContact CG-CG1 3.36Å
127	T	98.9	Very high	98.6	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	134.7	179.6	57	0	0	0	0	110.2	V79 L123 C146 D147 I148	V79-T127 HydrophobicContact CB-CG2 4.22Å; V79-T127 CarbonylContact O-C 3.3Å; V79-T127 VanDerWaalsContact O-CA 3.3Å; V79-T127 WeakPolarHBondContact O-CA 3.49Å; L123-T127 HydrophobicContact CB-CG2 4.03Å; L123-T127 HydrophobicContact CD1-CG2 3.83Å; T127-C146 VanDerWaalsContact OG1-CA 3.27Å; T127-C146 WeakPolarHBondContact OG1-CA 3.47Å; T127-D147 PolarHBondContact N-OD2 2.98Å; T127-D147 WeakPolarHBondContact O-CB 3.13Å; T127-D147 PolarHBondContact O-N 2.79Å; T127-D147 VanDerWaalsContact O-N 3.08Å; T127-D147 PolarHBondContact OG1-N 2.92Å; T127-D147 PolarHBondContact OG1-OD2 3.45Å; T127-I148 PolarHBondContact O-N 3.43Å; T127-I148 VanDerWaalsContact O-N 3.09Å
128	I	98.9	Very high	98.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	121.6	-177	-50.4	175.5	0	0	0	108.9	V79 I80 L81 I148 I150 A223 L226 A227 I230	V79-I128 PolarHBondContact O-N 3.02Å; I80-I128 CarbonylContact C-O 3.57Å; I80-I128 WeakPolarHBondContact CA-O 3.36Å; I80-I128 HydrophobicContact CG1-CB 4.47Å; L81-I128 PolarHBondContact N-O 3.05Å; I128-I148 CarbonylContact C-O 3.4Å; I128-I148 WeakPolarHBondContact CA-O 3.36Å; I128-I148 HydrophobicContact CG1-CB 4.36Å; I128-I148 HydrophobicContact CG2-CB 4.36Å; I128-I148 HydrophobicContact CG2-CG2 4.31Å; I128-I150 HydrophobicContact CG2-CD1 3.64Å; I128-I150 HydrophobicContact CG2-CG1 4.5Å; I128-A223 HydrophobicContact CB-CB 4.46Å; I128-A223 HydrophobicContact CG2-CB 3.67Å; I128-L226 HydrophobicContact CD1-CB 4.24Å; I128-L226 HydrophobicContact CD1-CD2 4.27Å; I128-L226 HydrophobicContact CD1-CG 4.23Å; I128-A227 HydrophobicContact CD1-CB 4.12Å; I128-I230 HydrophobicContact CD1-CD1 4.21Å
129	A	98.9	Very high	98.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	119.5	170.7	0	0	0	0	0	110.3	F89 I131 A143 C146 I148 R149 I150	F89-A129 HydrophobicContact CZ-CB 4.42Å; A129-I131 HydrophobicContact CB-CG1 4.31Å; A129-A143 HydrophobicContact CB-CB 3.82Å; A129-C146 HydrophobicContact CB-CB 3.86Å; A129-I148 PolarHBondContact N-O 3.04Å; A129-R149 HydrophobicContact CB-CG 4.07Å; A129-I150 PolarHBondContact O-N 3.25Å
130	A	98.9	Very high	98.6	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.008	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	102.4	174.1	0	0	0	0	0	110.5	I80 L81 F89 D132 A223	I80-A130 HydrophobicContact CG2-CB 4.12Å; L81-A130 PolarHBondContact O-N 3.13Å; F89-A130 VanDerWaalsContact CD2-O 3.25Å; F89-A130 WeakPolarHBondContact CD2-O 3.39Å; F89-A130 WeakPolarHBondContact CE2-O 3.41Å; A130-D132 PolarHBondContact O-N 3.06Å; A130-A223 HydrophobicContact CB-CB 4Å
131	I	98.9	Very high	98.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	80.5	-169.9	-47.4	172.3	0	0	0	110	F89 A129 G133 A135 A143 R149 I150 A151 S152 A155 M157 V206	F89-I131 HydrophobicContact CB-CG2 4.07Å; F89-I131 HydrophobicContact CD2-CG1 4.4Å; F89-I131 HydrophobicContact CE2-CG1 4.42Å; F89-I131 HydrophobicContact CG-CG2 4.24Å; A129-I131 HydrophobicContact CB-CG1 4.31Å; I131-G133 VanDerWaalsContact C-N 3.27Å; I131-G133 WeakPolarHBondContact CG2-O 3.48Å; I131-G133 PolarHBondContact O-N 3.1Å; I131-A135 HydrophobicContact CG2-CB 3.9Å; I131-A143 HydrophobicContact CD1-CB 3.86Å; I131-A143 HydrophobicContact CG1-CB 4.41Å; I131-R149 HydrophobicContact CD1-CB 4.43Å; I131-I150 WeakPolarHBondContact CB-O 3.42Å; I131-I150 PolarHBondContact N-O 2.84Å; I131-A151 HydrophobicContact CB-CB 4.04Å; I131-A151 WeakPolarHBondContact O-CA 3.5Å; I131-S152 PolarHBondContact O-N 2.92Å; I131-A155 HydrophobicContact CG2-CB 4.15Å; I131-A155 VanDerWaalsContact O-CB 3.31Å; I131-A155 WeakPolarHBondContact O-CB 3.45Å; I131-M157 HydrophobicContact CD1-SD 3.84Å; I131-M157 HydrophobicContact CG2-CG 4.21Å; I131-M157 HydrophobicContact CG2-SD 4.2Å; I131-V206 HydrophobicContact CD1-CG1 4.36Å
132	D	98.8	Very high	98.7	Very high	22 Å²	22	13.9 Å²	13.9	12%	0.118	9%	0.086	C	C	.	.	S	Bend	trans	-83.5	-0	177	-79.8	-60.8	0	0	0	114.3	A130 Q212 G216 A218 A219 Y220	A130-D132 PolarHBondContact O-N 3.06Å; D132-Q212 PolarHBondContact O-NE2 3.01Å; D132-Q212 PolarHBondContact OD1-NE2 3.41Å; D132-Q212 PolarHBondContact OD1-OE1 3.21Å; D132-G216 VanDerWaalsContact CB-O 3.31Å; D132-G216 WeakPolarHBondContact CB-O 3.3Å; D132-A218 PolarHBondContact OD1-N 2.95Å; D132-A218 VanDerWaalsContact OD1-N 3.09Å; D132-A219 WeakPolarHBondContact OD1-CB 3.41Å; D132-A219 PolarHBondContact OD1-N 3.02Å; D132-A219 WeakPolarHBondContact OD2-CB 3.28Å; D132-A219 PolarHBondContact OD2-N 2.99Å; D132-Y220 PolarHBondContact OD2-N 2.93Å
133	G	98.6	Very high	98.7	Very high	3 Å²	3	9.2 Å²	9.2	3%	0.031	6%	0.061	C	C	.	.	S	Bend	trans	-157.6	-166.5	-172.1	0	0	0	0	0	114.2	G87 I131 A135	G87-G133 CarbonylContact O-C 3.44Å; G87-G133 VanDerWaalsContact O-CA 3.25Å; G87-G133 WeakPolarHBondContact O-CA 3.31Å; I131-G133 VanDerWaalsContact C-N 3.27Å; I131-G133 WeakPolarHBondContact CG2-O 3.48Å; I131-G133 PolarHBondContact O-N 3.1Å; G133-A135 PolarHBondContact O-N 2.97Å
134	A	98.8	Very high	98.7	Very high	29 Å²	29	9.5 Å²	9.5	24%	0.24	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	123.1	-179.1	0	0	0	0	0	112.4	G87 F89 C90 K156	G87-A134 PolarHBondContact O-N 2.79Å; F89-A134 WeakPolarHBondContact CA-O 3.5Å; F89-A134 WeakPolarHBondContact CB-O 3.44Å; F89-A134 PolarHBondContact N-O 3.23Å; C90-A134 PolarHBondContact N-O 3.45Å; A134-K156 CarbonylContact C-O 3.55Å; A134-K156 VanDerWaalsContact CA-O 3.28Å; A134-K156 WeakPolarHBondContact CA-O 3.41Å
135	A	98.9	Very high	98.8	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	100.1	173.9	0	0	0	0	0	109.5	F89 C90 I131 G133 K156 M157 G158	F89-A135 HydrophobicContact CB-CB 3.97Å; F89-A135 HydrophobicContact CD1-CB 3.63Å; F89-A135 HydrophobicContact CG-CB 4.15Å; C90-A135 CarbonylContact O-C 3.42Å; C90-A135 WeakPolarHBondContact O-CA 3.15Å; I131-A135 HydrophobicContact CG2-CB 3.9Å; G133-A135 PolarHBondContact O-N 2.97Å; A135-K156 PolarHBondContact N-O 3.06Å; A135-M157 HydrophobicContact CB-CG 4.1Å; A135-M157 VanDerWaalsContact O-CA 3.3Å; A135-M157 WeakPolarHBondContact O-CA 3.47Å; A135-G158 PolarHBondContact O-N 3.48Å
136	L	98.8	Very high	98.8	Very high	39 Å²	39	6.8 Å²	6.8	20%	0.204	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	144.2	-173.5	-59.5	179.2	0	0	0	111.4	C90 A91 G92 G138 G139 G158 I194	C90-L136 PolarHBondContact O-N 2.91Å; A91-L136 CarbonylContact C-O 3.58Å; G92-L136 WeakPolarHBondContact CA-O 3.31Å; G92-L136 PolarHBondContact N-O 3.44Å; G92-L136 VanDerWaalsContact N-O 3.09Å; L136-G138 PolarHBondContact O-N 3.47Å; L136-G139 WeakPolarHBondContact O-CA 3.36Å; L136-G139 PolarHBondContact O-N 3.19Å; L136-G158 CarbonylContact C-O 3.51Å; L136-G158 WeakPolarHBondContact CA-O 3.28Å; L136-I194 HydrophobicContact CD2-CD1 3.94Å; L136-I194 HydrophobicContact CD2-CG1 4.05Å
137	G	98.5	Very high	98.8	Very high	3 Å²	3	8.3 Å²	8.3	3%	0.031	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	-122.9	178.2	0	0	0	0	0	112.1	G139 L140 E141 G158 E161	G137-G139 PolarHBondContact O-N 3.25Å; G137-L140 CarbonylContact O-C 3.6Å; G137-L140 WeakPolarHBondContact O-CA 3.42Å; G137-L140 PolarHBondContact O-N 2.97Å; G137-E141 WeakPolarHBondContact O-CG 3.3Å; G137-E141 PolarHBondContact O-N 3.39Å; G137-G158 PolarHBondContact N-O 2.95Å; G137-E161 WeakPolarHBondContact CA-OE1 3.36Å
138	G	98.2	Very high	98.8	Very high	6 Å²	6	10 Å²	10	6%	0.062	6%	0.06	C	C	.	.	H	α-helix	trans	-49.2	-27.9	174.8	0	0	0	0	0	115.7	L136 E141 M142	L136-G138 PolarHBondContact O-N 3.47Å; G138-E141 WeakPolarHBondContact CA-OE2 3.25Å; G138-E141 PolarHBondContact O-N 2.81Å; G138-M142 WeakPolarHBondContact O-CG 3.32Å; G138-M142 PolarHBondContact O-N 2.85Å
139	G	98.7	Very high	98.8	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-68.8	-43	173.7	0	0	0	0	0	113.3	F89 C90 L136 G137 A143	F89-G139 WeakPolarHBondContact CE1-O 3.27Å; C90-G139 WeakPolarHBondContact SG-CA 3.3Å; L136-G139 WeakPolarHBondContact O-CA 3.36Å; L136-G139 PolarHBondContact O-N 3.19Å; G137-G139 PolarHBondContact O-N 3.25Å; G139-A143 PolarHBondContact O-N 3.48Å
140	L	98.9	Very high	98.8	Very high	3 Å²	3	10.9 Å²	10.9	2%	0.016	6%	0.063	C	C	.	.	H	α-helix	trans	-69.5	-38.1	170.5	-178.9	57.7	0	0	0	110.6	G137 M142 A143 L144 M157 L159 L205	G137-L140 CarbonylContact O-C 3.6Å; G137-L140 WeakPolarHBondContact O-CA 3.42Å; G137-L140 PolarHBondContact O-N 2.97Å; L140-M142 VanDerWaalsContact C-N 3.28Å; L140-M142 PolarHBondContact O-N 3.32Å; L140-A143 HydrophobicContact CD1-CB 4.48Å; L140-A143 CarbonylContact O-C 3.51Å; L140-A143 PolarHBondContact O-N 2.86Å; L140-L144 HydrophobicContact CD1-CG 4.3Å; L140-L144 HydrophobicContact CG-CD1 4.22Å; L140-L144 HydrophobicContact CG-CG 4.22Å; L140-L144 VanDerWaalsContact O-CG 3.26Å; L140-L144 WeakPolarHBondContact O-CG 3.4Å; L140-L144 PolarHBondContact O-N 2.8Å; L140-M157 HydrophobicContact CD1-CB 4.3Å; L140-M157 HydrophobicContact CD1-CG 4.4Å; L140-M157 HydrophobicContact CD2-CB 4.38Å; L140-L159 HydrophobicContact CB-CD2 4.05Å; L140-L159 HydrophobicContact CD2-CD2 4.05Å; L140-L159 HydrophobicContact CD2-CG 4.04Å; L140-L159 HydrophobicContact CG-CD2 4.25Å; L140-L205 HydrophobicContact CD1-CD1 4.46Å
141	E	98.9	Very high	98.8	Very high	5 Å²	5	10.8 Å²	10.8	2%	0.023	6%	0.063	C	C	.	.	H	α-helix	trans	-59.8	-36.8	176	-61.7	-179.3	112.3	0	0	112.4	I117 G137 G138 L144 A145 L159 P168 G169 A170 G171 G172	I117-E141 HydrophobicContact CD1-CB 3.89Å; I117-E141 WeakPolarHBondContact CG2-O 3.37Å; G137-E141 WeakPolarHBondContact O-CG 3.3Å; G137-E141 PolarHBondContact O-N 3.39Å; G138-E141 WeakPolarHBondContact CA-OE2 3.25Å; G138-E141 PolarHBondContact O-N 2.81Å; E141-L144 PolarHBondContact O-N 3.49Å; E141-A145 PolarHBondContact O-N 2.98Å; E141-L159 HydrophobicContact CG-CD2 3.81Å; E141-P168 VanDerWaalsContact OE1-C 3.29Å; E141-P168 WeakPolarHBondContact OE1-CB 3.4Å; E141-G169 PolarHBondContact OE1-N 2.96Å; E141-A170 HydrophobicContact CB-CB 4.36Å; E141-A170 VanDerWaalsContact CD-N 3.31Å; E141-A170 VanDerWaalsContact OE1-C 3.28Å; E141-A170 WeakPolarHBondContact OE1-CA 3.31Å; E141-A170 PolarHBondContact OE1-N 2.77Å; E141-A170 WeakPolarHBondContact OE2-CB 3.44Å; E141-A170 PolarHBondContact OE2-N 3.09Å; E141-A170 VanDerWaalsContact OE2-N 3.14Å; E141-G171 PolarHBondContact OE1-N 3.16Å; E141-G172 WeakPolarHBondContact OE1-CA 3.4Å; E141-G172 PolarHBondContact OE1-N 3.16Å
142	M	98.6	Very high	98.8	Very high	5 Å²	5	10.8 Å²	10.8	3%	0.025	6%	0.063	C	C	.	.	H	α-helix	trans	-64	-45.2	170.9	-80.4	-172.1	-37.4	0	0	111.7	I46 I55 L81 C90 I117 G138 L140 L144 A145 C146	I46-M142 HydrophobicContact CD1-CE 3.64Å; I55-M142 HydrophobicContact CD1-SD 4.35Å; L81-M142 HydrophobicContact CD2-CB 4.15Å; C90-M142 HydrophobicContact CB-CE 3.86Å; I117-M142 HydrophobicContact CD1-CB 4.48Å; I117-M142 HydrophobicContact CD1-CG 3.69Å; I117-M142 HydrophobicContact CG1-CG 3.73Å; G138-M142 WeakPolarHBondContact O-CG 3.32Å; G138-M142 PolarHBondContact O-N 2.85Å; L140-M142 VanDerWaalsContact C-N 3.28Å; L140-M142 PolarHBondContact O-N 3.32Å; M142-L144 VanDerWaalsContact C-N 3.31Å; M142-L144 PolarHBondContact O-N 3.4Å; M142-A145 WeakPolarHBondContact O-CB 3.43Å; M142-A145 PolarHBondContact O-N 2.84Å; M142-A145 VanDerWaalsContact O-N 3.15Å; M142-C146 PolarHBondContact O-N 3.15Å
143	A	98.9	Very high	98.8	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-64.6	-35.5	178.2	0	0	0	0	0	112.5	F89 A129 I131 G139 L140 A145 C146 R149	F89-A143 HydrophobicContact CE1-CB 4.05Å; F89-A143 HydrophobicContact CZ-CB 4.35Å; A129-A143 HydrophobicContact CB-CB 3.82Å; I131-A143 HydrophobicContact CD1-CB 3.86Å; I131-A143 HydrophobicContact CG1-CB 4.41Å; G139-A143 PolarHBondContact O-N 3.48Å; L140-A143 HydrophobicContact CD1-CB 4.48Å; L140-A143 CarbonylContact O-C 3.51Å; L140-A143 PolarHBondContact O-N 2.86Å; A143-A145 PolarHBondContact O-N 3.46Å; A143-C146 WeakPolarHBondContact O-CB 3.33Å; A143-C146 PolarHBondContact O-N 3.44Å; A143-C146 VanDerWaalsContact O-N 3.11Å; A143-R149 HydrophobicContact CB-CG 4.43Å; A143-R149 VanDerWaalsContact O-CD 3.28Å; A143-R149 WeakPolarHBondContact O-CD 3.26Å; A143-R149 VanDerWaalsContact O-CG 3.23Å; A143-R149 WeakPolarHBondContact O-CG 3.43Å
144	L	98.9	Very high	98.7	Very high	7 Å²	7	13.3 Å²	13.3	4%	0.037	8%	0.081	C	C	.	.	H	α-helix	trans	-65.7	-23.4	175	-68.2	172.5	0	0	0	112.8	L140 E141 M142 R175 L176 I179 L205	L140-L144 HydrophobicContact CD1-CG 4.3Å; L140-L144 HydrophobicContact CG-CD1 4.22Å; L140-L144 HydrophobicContact CG-CG 4.22Å; L140-L144 VanDerWaalsContact O-CG 3.26Å; L140-L144 WeakPolarHBondContact O-CG 3.4Å; L140-L144 PolarHBondContact O-N 2.8Å; E141-L144 PolarHBondContact O-N 3.49Å; M142-L144 VanDerWaalsContact C-N 3.31Å; M142-L144 PolarHBondContact O-N 3.4Å; L144-R175 HydrophobicContact CB-CB 3.96Å; L144-R175 HydrophobicContact CD1-CB 4.43Å; L144-L176 HydrophobicContact CD1-CB 4.08Å; L144-L176 HydrophobicContact CD1-CD1 4.3Å; L144-L176 HydrophobicContact CD2-CD1 4.16Å; L144-I179 HydrophobicContact CB-CD1 4.24Å; L144-I179 HydrophobicContact CD2-CD1 3.51Å; L144-I179 HydrophobicContact CG-CD1 4.45Å; L144-L205 HydrophobicContact CD2-CD1 3.68Å
145	A	98.8	Very high	98.7	Very high	1 Å²	1	12 Å²	12	1%	0.008	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-10.3	173.7	0	0	0	0	0	113.4	I117 L120 D121 E141 M142 A143	I117-A145 HydrophobicContact CG2-CB 3.39Å; I117-A145 WeakPolarHBondContact O-CB 3.48Å; L120-A145 HydrophobicContact CD2-CB 4.46Å; D121-A145 WeakPolarHBondContact CA-O 3.13Å; D121-A145 HydrophobicContact CB-CB 4.09Å; E141-A145 PolarHBondContact O-N 2.98Å; M142-A145 WeakPolarHBondContact O-CB 3.43Å; M142-A145 PolarHBondContact O-N 2.84Å; M142-A145 VanDerWaalsContact O-N 3.15Å; A143-A145 PolarHBondContact O-N 3.46Å
146	C	98.9	Very high	98.7	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.02	9%	0.091	C	C	.	.	S	Bend	trans	-77.8	147.7	168.4	-65.7	0	0	0	0	110.3	T127 A129 M142 A143 I148 R149	T127-C146 VanDerWaalsContact OG1-CA 3.27Å; T127-C146 WeakPolarHBondContact OG1-CA 3.47Å; A129-C146 HydrophobicContact CB-CB 3.86Å; M142-C146 PolarHBondContact O-N 3.15Å; A143-C146 WeakPolarHBondContact O-CB 3.33Å; A143-C146 PolarHBondContact O-N 3.44Å; A143-C146 VanDerWaalsContact O-N 3.11Å; C146-I148 VanDerWaalsContact C-N 3.28Å; C146-I148 PolarHBondContact O-N 3.33Å; C146-R149 PolarHBondContact O-NH1 3.47Å
147	D	98.9	Very high	98.7	Very high	47 Å²	47	14.8 Å²	14.8	25%	0.251	8%	0.081	S	C	.	.	S	Bend	trans	-62.4	-40.4	-179.6	-54.8	-66.2	0	0	0	110.8	P126 T127 K242	P126-D147 WeakPolarHBondContact CA-OD2 3.31Å; T127-D147 PolarHBondContact N-OD2 2.98Å; T127-D147 WeakPolarHBondContact O-CB 3.13Å; T127-D147 PolarHBondContact O-N 2.79Å; T127-D147 VanDerWaalsContact O-N 3.08Å; T127-D147 PolarHBondContact OG1-N 2.92Å; T127-D147 PolarHBondContact OG1-OD2 3.45Å; D147-K242 VanDerWaalsContact CG-NZ 3.33Å; D147-K242 WeakPolarHBondContact OD1-CE 3.44Å; D147-K242 IonicContact OD1-NZ 3.69Å; D147-K242 PolarHBondContact OD1-NZ 3.22Å; D147-K242 IonicContact OD2-NZ 2.74Å; D147-K242 PolarHBondContact OD2-NZ 2.88Å
148	I	98.9	Very high	98.8	Very high	36 Å²	36	14.8 Å²	14.8	19%	0.185	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141.8	-176.7	-58.7	170	0	0	0	109.9	T127 I128 A129 C146 N207 L226 I230	T127-I148 PolarHBondContact O-N 3.43Å; T127-I148 VanDerWaalsContact O-N 3.09Å; I128-I148 CarbonylContact C-O 3.4Å; I128-I148 WeakPolarHBondContact CA-O 3.36Å; I128-I148 HydrophobicContact CG1-CB 4.36Å; I128-I148 HydrophobicContact CG2-CB 4.36Å; I128-I148 HydrophobicContact CG2-CG2 4.31Å; A129-I148 PolarHBondContact N-O 3.04Å; C146-I148 VanDerWaalsContact C-N 3.28Å; C146-I148 PolarHBondContact O-N 3.33Å; I148-N207 HydrophobicContact CG2-CB 4.11Å; I148-L226 HydrophobicContact CD1-CD2 3.93Å; I148-L226 HydrophobicContact CG2-CD2 3.78Å; I148-I230 HydrophobicContact CD1-CD1 4.41Å
149	R	98.9	Very high	98.8	Very high	18 Å²	18	14.7 Å²	14.7	7%	0.068	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.3	175.6	-67.4	158.2	-65.1	-68.6	-5.7	110.5	A129 I131 A143 C146 L205 V206 N207 H208	A129-R149 HydrophobicContact CB-CG 4.07Å; I131-R149 HydrophobicContact CD1-CB 4.43Å; A143-R149 HydrophobicContact CB-CG 4.43Å; A143-R149 VanDerWaalsContact O-CD 3.28Å; A143-R149 WeakPolarHBondContact O-CD 3.26Å; A143-R149 VanDerWaalsContact O-CG 3.23Å; A143-R149 WeakPolarHBondContact O-CG 3.43Å; C146-R149 PolarHBondContact O-NH1 3.47Å; R149-L205 WeakPolarHBondContact CD-O 3.5Å; R149-L205 PolarHBondContact NE-O 2.93Å; R149-V206 HydrophobicContact CB-CB 4.08Å; R149-V206 HydrophobicContact CB-CG1 3.89Å; R149-N207 PolarHBondContact N-OD1 3.24Å; R149-N207 WeakPolarHBondContact O-CB 3.48Å; R149-N207 PolarHBondContact O-N 3.32Å; R149-N207 PolarHBondContact O-OD1 3.41Å; R149-H208 PolarHBondContact O-N 3.01Å
150	I	98.9	Very high	98.8	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.1	172.4	-59.6	147.9	0	0	0	107.2	I128 A129 I131 H208 V210 A219 Y222 A223 L226	I128-I150 HydrophobicContact CG2-CD1 3.64Å; I128-I150 HydrophobicContact CG2-CG1 4.5Å; A129-I150 PolarHBondContact O-N 3.25Å; I131-I150 WeakPolarHBondContact CB-O 3.42Å; I131-I150 PolarHBondContact N-O 2.84Å; I150-H208 WeakPolarHBondContact CA-O 3.37Å; I150-H208 HydrophobicContact CG1-CB 4.24Å; I150-H208 HydrophobicContact CG2-CB 4.19Å; I150-V210 HydrophobicContact CG2-CG1 4.31Å; I150-V210 HydrophobicContact CG2-CG2 4.33Å; I150-A219 HydrophobicContact CG2-CB 3.97Å; I150-Y222 HydrophobicContact CD1-CD1 3.6Å; I150-Y222 HydrophobicContact CD1-CE1 4.32Å; I150-Y222 HydrophobicContact CG1-CD1 3.94Å; I150-Y222 HydrophobicContact CG1-CE1 4.43Å; I150-Y222 HydrophobicContact CG2-CD1 4.05Å; I150-Y222 HydrophobicContact CG2-CG 4.28Å; I150-A223 VanDerWaalsContact CD1-CA 3.45Å; I150-A223 HydrophobicContact CD1-CB 3.72Å; I150-L226 HydrophobicContact CD1-CD2 4.2Å
151	A	98.9	Very high	98.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	146	179	0	0	0	0	0	111.9	I131 A155 M157 V206 H208 S209 V210	I131-A151 HydrophobicContact CB-CB 4.04Å; I131-A151 WeakPolarHBondContact O-CA 3.5Å; A151-A155 HydrophobicContact CB-CB 4.34Å; A151-M157 HydrophobicContact CB-CE 3.8Å; A151-M157 HydrophobicContact CB-SD 4.13Å; A151-V206 HydrophobicContact CB-CB 4.49Å; A151-V206 HydrophobicContact CB-CG1 4.06Å; A151-V206 HydrophobicContact CB-CG2 4.24Å; A151-H208 PolarHBondContact N-O 3.25Å; A151-S209 CarbonylContact O-C 3.6Å; A151-S209 VanDerWaalsContact O-CA 3.26Å; A151-S209 WeakPolarHBondContact O-CA 3.46Å; A151-V210 PolarHBondContact O-N 3.28Å
152	S	98.8	Very high	98.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	147.2	163.2	79.1	0	0	0	0	109.6	I131 S154 A155 G197 V210 Q212	I131-S152 PolarHBondContact O-N 2.92Å; S152-S154 PolarHBondContact O-N 2.8Å; S152-S154 VanDerWaalsContact O-N 3.15Å; S152-S154 PolarHBondContact OG-OG 2.76Å; S152-A155 VanDerWaalsContact O-CB 3.28Å; S152-A155 WeakPolarHBondContact O-CB 3.32Å; S152-A155 PolarHBondContact O-N 3.36Å; S152-A155 WeakPolarHBondContact OG-CB 3.38Å; S152-A155 PolarHBondContact OG-N 3.11Å; S152-A155 VanDerWaalsContact OG-N 3.08Å; S152-G197 WeakPolarHBondContact O-CA 3.48Å; S152-V210 CarbonylContact C-O 3.56Å; S152-V210 VanDerWaalsContact CA-O 3.26Å; S152-V210 WeakPolarHBondContact CA-O 3.41Å; S152-Q212 PolarHBondContact OG-NE2 3.18Å
153	S	98.5	Very high	98.7	Very high	11 Å²	11	25.2 Å²	25.2	8%	0.077	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-32.6	179.8	62.5	0	0	0	0	112.3	G197 K198 S209 V210 E211	S153-G197 PolarHBondContact O-N 3.23Å; S153-G197 VanDerWaalsContact O-N 3.13Å; S153-K198 VanDerWaalsContact CB-CE 3.48Å; S153-S209 WeakPolarHBondContact CA-OG 3.47Å; S153-V210 PolarHBondContact N-O 3.08Å; S153-E211 WeakPolarHBondContact CB-OE2 3.4Å; S153-E211 PolarHBondContact OG-OE2 3.12Å
154	S	98.2	Very high	98.6	Very high	66 Å²	66	29.9 Å²	29.9	46%	0.462	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-12.2	177.7	55.2	0	0	0	0	115.3	S152	S152-S154 PolarHBondContact O-N 2.8Å; S152-S154 VanDerWaalsContact O-N 3.15Å; S152-S154 PolarHBondContact OG-OG 2.76Å
155	A	98.7	Very high	98.5	Very high	2 Å²	2	34.2 Å²	34.2	2%	0.017	20%	0.195	C	C	.	.			trans	-58.8	151.4	179.8	0	0	0	0	0	110.7	I131 A151 S152 D196 G197	I131-A155 HydrophobicContact CG2-CB 4.15Å; I131-A155 VanDerWaalsContact O-CB 3.31Å; I131-A155 WeakPolarHBondContact O-CB 3.45Å; A151-A155 HydrophobicContact CB-CB 4.34Å; S152-A155 VanDerWaalsContact O-CB 3.28Å; S152-A155 WeakPolarHBondContact O-CB 3.32Å; S152-A155 PolarHBondContact O-N 3.36Å; S152-A155 WeakPolarHBondContact OG-CB 3.38Å; S152-A155 PolarHBondContact OG-N 3.11Å; S152-A155 VanDerWaalsContact OG-N 3.08Å; A155-D196 CarbonylContact O-C 3.59Å; A155-D196 WeakPolarHBondContact O-CA 3.32Å; A155-G197 PolarHBondContact O-N 2.86Å; A155-G197 VanDerWaalsContact O-N 3.1Å
156	K	98.9	Very high	98.4	Very high	97 Å²	97	38.8 Å²	38.8	42%	0.422	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.1	-178	-64	-57.3	-179.1	-166.4	0	109.9	A134 A135 I194 V195 D196	A134-K156 CarbonylContact C-O 3.55Å; A134-K156 VanDerWaalsContact CA-O 3.28Å; A134-K156 WeakPolarHBondContact CA-O 3.41Å; A135-K156 PolarHBondContact N-O 3.06Å; K156-I194 HydrophobicContact CB-CG2 3.73Å; K156-I194 HydrophobicContact CD-CG2 4.23Å; K156-I194 HydrophobicContact CG-CG2 4.38Å; K156-V195 WeakPolarHBondContact CA-O 3.33Å; K156-D196 HydrophobicContact CD-CB 4.09Å; K156-D196 VanDerWaalsContact NZ-CB 3.32Å; K156-D196 IonicContact NZ-OD2 2.68Å
157	M	98.9	Very high	98.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	137.3	-172.8	-69.2	164.5	-76.8	0	0	110.8	I131 A135 L140 A151 I194 V195 A200 L205 V206	I131-M157 HydrophobicContact CD1-SD 3.84Å; I131-M157 HydrophobicContact CG2-CG 4.21Å; I131-M157 HydrophobicContact CG2-SD 4.2Å; A135-M157 HydrophobicContact CB-CG 4.1Å; A135-M157 VanDerWaalsContact O-CA 3.3Å; A135-M157 WeakPolarHBondContact O-CA 3.47Å; L140-M157 HydrophobicContact CD1-CB 4.3Å; L140-M157 HydrophobicContact CD1-CG 4.4Å; L140-M157 HydrophobicContact CD2-CB 4.38Å; A151-M157 HydrophobicContact CB-CE 3.8Å; A151-M157 HydrophobicContact CB-SD 4.13Å; M157-I194 CarbonylContact O-C 3.42Å; M157-I194 WeakPolarHBondContact O-CA 3.39Å; M157-V195 HydrophobicContact CB-CG2 4.33Å; M157-V195 PolarHBondContact N-O 2.88Å; M157-V195 PolarHBondContact O-N 3.27Å; M157-A200 HydrophobicContact CE-CB 3.29Å; M157-A200 HydrophobicContact SD-CB 4.22Å; M157-L205 HydrophobicContact CB-CD2 4.28Å; M157-L205 HydrophobicContact SD-CD2 4.49Å; M157-V206 HydrophobicContact CE-CG1 4.36Å; M157-V206 HydrophobicContact SD-CG1 3.83Å
158	G	98.8	Very high	98.4	Very high	4 Å²	4	42 Å²	42	4%	0.041	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178	152.9	175.1	0	0	0	0	0	114.5	A135 L136 G137	A135-G158 PolarHBondContact O-N 3.48Å; L136-G158 CarbonylContact C-O 3.51Å; L136-G158 WeakPolarHBondContact CA-O 3.28Å; G137-G158 PolarHBondContact N-O 2.95Å
159	L	98.8	Very high	98.4	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.016	23%	0.234	C	C	.	.			trans	-101.1	98	168.6	-62.8	-175.2	0	0	0	107.9	L140 E141 E161 P168 L176 I189	L140-L159 HydrophobicContact CB-CD2 4.05Å; L140-L159 HydrophobicContact CD2-CD2 4.05Å; L140-L159 HydrophobicContact CD2-CG 4.04Å; L140-L159 HydrophobicContact CG-CD2 4.25Å; E141-L159 HydrophobicContact CG-CD2 3.81Å; L159-E161 VanDerWaalsContact CA-OE2 3.26Å; L159-E161 WeakPolarHBondContact CA-OE2 3.28Å; L159-P168 HydrophobicContact CB-CG 3.83Å; L159-P168 HydrophobicContact CD1-CB 3.89Å; L159-P168 HydrophobicContact CD1-CG 3.76Å; L159-P168 HydrophobicContact CD2-CB 4.42Å; L159-P168 HydrophobicContact CG-CG 4.26Å; L159-L176 HydrophobicContact CD1-CB 4.32Å; L159-L176 HydrophobicContact CD1-CD2 3.76Å; L159-L176 HydrophobicContact CG-CD2 4.46Å; L159-I189 HydrophobicContact CB-CG1 4.23Å; L159-I189 HydrophobicContact CD1-CD1 4.19Å; L159-I189 HydrophobicContact CD1-CG1 4.12Å
160	V	98.4	Very high	98.3	Very high	27 Å²	27	40.6 Å²	40.6	16%	0.164	23%	0.233	C	C	.	.			trans	-103.1	8.3	-168.6	-56.8	0	0	0	0	113.7	T162 Q163 A192 I194	V160-T162 PolarHBondContact O-N 3Å; V160-T162 VanDerWaalsContact O-N 3.12Å; V160-Q163 WeakPolarHBondContact O-CB 3.47Å; V160-Q163 PolarHBondContact O-N 3.49Å; V160-Q163 VanDerWaalsContact O-N 3.07Å; V160-A192 HydrophobicContact CB-CB 4.09Å; V160-A192 HydrophobicContact CG1-CB 4.42Å; V160-A192 WeakPolarHBondContact CG1-O 3.35Å; V160-I194 HydrophobicContact CG1-CD1 4.22Å; V160-I194 HydrophobicContact CG1-CG1 3.8Å
161	E	98.6	Very high	98.2	Very high	20 Å²	20	41 Å²	41	9%	0.093	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-55.5	-32	-171.8	-78.4	84.4	174.2	0	0	114.2	G137 L159 Q163 L164 A165 I166 I167 P168	G137-E161 WeakPolarHBondContact CA-OE1 3.36Å; L159-E161 VanDerWaalsContact CA-OE2 3.26Å; L159-E161 WeakPolarHBondContact CA-OE2 3.28Å; E161-Q163 PolarHBondContact O-N 3.37Å; E161-L164 CarbonylContact O-C 3.47Å; E161-L164 WeakPolarHBondContact O-CA 3.49Å; E161-L164 WeakPolarHBondContact O-CB 3.08Å; E161-L164 PolarHBondContact O-N 2.91Å; E161-A165 PolarHBondContact O-N 2.97Å; E161-I166 CarbonylContact C-O 3.42Å; E161-I166 HydrophobicContact CB-CD1 4.46Å; E161-I166 HydrophobicContact CB-CG1 3.98Å; E161-I166 HydrophobicContact CG-CD1 4.24Å; E161-I166 HydrophobicContact CG-CG1 4.31Å; E161-I166 CarbonylContact O-C 3.58Å; E161-I166 VanDerWaalsContact O-CG1 3.32Å; E161-I166 WeakPolarHBondContact O-CG1 3.42Å; E161-I166 PolarHBondContact O-N 3.3Å; E161-I166 VanDerWaalsContact O-N 3.15Å; E161-I166 VanDerWaalsContact O-O 3.04Å; E161-I167 VanDerWaalsContact CB-C 3.47Å; E161-P168 HydrophobicContact CB-CG 4.39Å
162	T	98.5	Very high	98.2	Very high	50 Å²	50	41 Å²	41	31%	0.307	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-66.7	-24.7	-179.3	51.8	0	0	0	0	112.8	V160 L164 A165 I166 I189 A192	V160-T162 PolarHBondContact O-N 3Å; V160-T162 VanDerWaalsContact O-N 3.12Å; T162-L164 PolarHBondContact O-N 3.03Å; T162-A165 PolarHBondContact O-N 3.33Å; T162-I166 VanDerWaalsContact CA-O 3.31Å; T162-I166 WeakPolarHBondContact CA-O 3.23Å; T162-I166 PolarHBondContact N-O 3.46Å; T162-I189 HydrophobicContact CG2-CG2 4.02Å; T162-I189 VanDerWaalsContact CG2-O 3.3Å; T162-I189 WeakPolarHBondContact CG2-O 3.47Å; T162-I189 PolarHBondContact OG1-O 2.98Å; T162-A192 WeakPolarHBondContact OG1-CB 3.46Å
163	Q	97.5	Very high	98.2	Very high	138 Å²	138	43.4 Å²	43.4	65%	0.645	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-67.4	-21.2	169.5	-70.5	173.6	16	0	0	112.8	V160 E161 A192	V160-Q163 WeakPolarHBondContact O-CB 3.47Å; V160-Q163 PolarHBondContact O-N 3.49Å; V160-Q163 VanDerWaalsContact O-N 3.07Å; E161-Q163 PolarHBondContact O-N 3.37Å; Q163-A192 HydrophobicContact CB-CB 4.49Å; Q163-A192 HydrophobicContact CG-CB 3.51Å; Q163-A192 VanDerWaalsContact NE2-CB 3.26Å; Q163-A192 PolarHBondContact NE2-O 3.37Å
164	L	96.8	Very high	98.3	Very high	97 Å²	97	47.9 Å²	47.9	51%	0.508	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-101.2	15.9	177.6	-59.2	177.5	0	0	0	112	L95 E161 T162 I166	L95-L164 HydrophobicContact CD2-CD1 4.31Å; E161-L164 CarbonylContact O-C 3.47Å; E161-L164 WeakPolarHBondContact O-CA 3.49Å; E161-L164 WeakPolarHBondContact O-CB 3.08Å; E161-L164 PolarHBondContact O-N 2.91Å; T162-L164 PolarHBondContact O-N 3.03Å; L164-I166 HydrophobicContact CB-CD1 4.37Å; L164-I166 HydrophobicContact CB-CG1 3.91Å; L164-I166 PolarHBondContact O-N 3.45Å
165	A	97.3	Very high	98.3	Very high	99 Å²	99	46.2 Å²	46.2	82%	0.818	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	31.7	-176.8	0	0	0	0	0	113.9	E161 T162	E161-A165 PolarHBondContact O-N 2.97Å; T162-A165 PolarHBondContact O-N 3.33Å
166	I	97.2	Very high	98.3	Very high	96 Å²	96	46.2 Å²	46.2	49%	0.492	26%	0.255	S	S	.	.			trans	-130.6	-179.7	173.8	53.6	166.6	0	0	0	110	E161 T162 L164	E161-I166 CarbonylContact C-O 3.42Å; E161-I166 HydrophobicContact CB-CD1 4.46Å; E161-I166 HydrophobicContact CB-CG1 3.98Å; E161-I166 HydrophobicContact CG-CD1 4.24Å; E161-I166 HydrophobicContact CG-CG1 4.31Å; E161-I166 CarbonylContact O-C 3.58Å; E161-I166 VanDerWaalsContact O-CG1 3.32Å; E161-I166 WeakPolarHBondContact O-CG1 3.42Å; E161-I166 PolarHBondContact O-N 3.3Å; E161-I166 VanDerWaalsContact O-N 3.15Å; E161-I166 VanDerWaalsContact O-O 3.04Å; T162-I166 VanDerWaalsContact CA-O 3.31Å; T162-I166 WeakPolarHBondContact CA-O 3.23Å; T162-I166 PolarHBondContact N-O 3.46Å; L164-I166 HydrophobicContact CB-CD1 4.37Å; L164-I166 HydrophobicContact CB-CG1 3.91Å; L164-I166 PolarHBondContact O-N 3.45Å
167	I	98.6	Very high	98.3	Very high	116 Å²	116	42.9 Å²	42.9	60%	0.595	24%	0.244	S	C	*	.			trans	-120	160.6	177.2	63.1	166.3	0	0	0	110.7	E161 G169	E161-I167 VanDerWaalsContact CB-C 3.47Å; I167-G169 PolarHBondContact O-N 2.72Å
168	P	98.7	Very high	98.3	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.019	27%	0.268	C	S	.	.			trans	-55.9	113.5	171	-24	35.2	0	0	0	110.3	E141 L159 E161 T173 I189	E141-P168 VanDerWaalsContact OE1-C 3.29Å; E141-P168 WeakPolarHBondContact OE1-CB 3.4Å; L159-P168 HydrophobicContact CB-CG 3.83Å; L159-P168 HydrophobicContact CD1-CB 3.89Å; L159-P168 HydrophobicContact CD1-CG 3.76Å; L159-P168 HydrophobicContact CD2-CB 4.42Å; L159-P168 HydrophobicContact CG-CG 4.26Å; E161-P168 HydrophobicContact CB-CG 4.39Å; P168-T173 HydrophobicContact CB-CG2 4.13Å; P168-T173 HydrophobicContact CG-CG2 4.26Å; P168-I189 HydrophobicContact CG-CD1 4.33Å; P168-I189 HydrophobicContact CG-CG1 4.31Å; P168-I189 HydrophobicContact CG-CG2 4.35Å
169	G	97.8	Very high	98.3	Very high	17 Å²	17	51.7 Å²	51.7	18%	0.175	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-16.5	-162.1	0	0	0	0	0	114.3	V110 R114 E141 I167	V110-G169 VanDerWaalsContact CG1-O 3.31Å; V110-G169 WeakPolarHBondContact CG1-O 3.39Å; R114-G169 VanDerWaalsContact CZ-O 3.23Å; R114-G169 PolarHBondContact NE-O 2.8Å; R114-G169 PolarHBondContact NH2-O 3.19Å; E141-G169 PolarHBondContact OE1-N 2.96Å; I167-G169 PolarHBondContact O-N 2.72Å
170	A	97.3	Very high	98.3	Very high	6 Å²	6	52.5 Å²	52.5	5%	0.05	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	22.4	-172.7	0	0	0	0	0	113.5	R114 I117 E141 R175	R114-A170 HydrophobicContact CB-CB 4.39Å; I117-A170 HydrophobicContact CD1-CB 3.5Å; I117-A170 VanDerWaalsContact CD1-CB 3.5Å; E141-A170 HydrophobicContact CB-CB 4.36Å; E141-A170 VanDerWaalsContact CD-N 3.31Å; E141-A170 VanDerWaalsContact OE1-C 3.28Å; E141-A170 WeakPolarHBondContact OE1-CA 3.31Å; E141-A170 PolarHBondContact OE1-N 2.77Å; E141-A170 WeakPolarHBondContact OE2-CB 3.44Å; E141-A170 PolarHBondContact OE2-N 3.09Å; E141-A170 VanDerWaalsContact OE2-N 3.14Å; A170-R175 PolarHBondContact O-NH1 2.83Å
171	G	98.1	Very high	98.3	Very high	9 Å²	9	53 Å²	53	9%	0.093	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	114.3	0.1	170.1	0	0	0	0	0	114.7	E141 T173 Q174 R175	E141-G171 PolarHBondContact OE1-N 3.16Å; G171-T173 VanDerWaalsContact C-N 3.28Å; G171-T173 PolarHBondContact O-N 3.29Å; G171-Q174 PolarHBondContact O-N 3.47Å; G171-R175 PolarHBondContact O-N 2.91Å
172	G	98.7	Very high	98.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59.4	-35.2	179.6	0	0	0	0	0	113.3	E141 Q174 L176	E141-G172 WeakPolarHBondContact OE1-CA 3.4Å; E141-G172 PolarHBondContact OE1-N 3.16Å; G172-Q174 PolarHBondContact O-N 2.61Å; G172-Q174 VanDerWaalsContact O-N 3.15Å; G172-L176 WeakPolarHBondContact O-CB 3.37Å; G172-L176 PolarHBondContact O-N 2.9Å; G172-L176 VanDerWaalsContact O-N 3.11Å
173	T	98.8	Very high	98.3	Very high	51 Å²	51	58.4 Å²	58.4	31%	0.313	33%	0.332	S	S	.	.	H	α-helix	trans	-65.9	-13.3	174.4	58.4	0	0	0	0	113.9	P168 G171 P177	P168-T173 HydrophobicContact CB-CG2 4.13Å; P168-T173 HydrophobicContact CG-CG2 4.26Å; G171-T173 VanDerWaalsContact C-N 3.28Å; G171-T173 PolarHBondContact O-N 3.29Å; T173-P177 VanDerWaalsContact O-CG 3.22Å; T173-P177 WeakPolarHBondContact O-CG 3.25Å
174	Q	98.8	Very high	98.4	Very high	104 Å²	104	53.5 Å²	53.5	49%	0.486	31%	0.31	S	S	.	.	H	α-helix	trans	-108.4	-47.1	179.6	-59.1	-52.7	-49.1	0	0	112.1	G171 G172 P177 R178	G171-Q174 PolarHBondContact O-N 3.47Å; G172-Q174 PolarHBondContact O-N 2.61Å; G172-Q174 VanDerWaalsContact O-N 3.15Å; Q174-P177 WeakPolarHBondContact O-CG 3.43Å; Q174-R178 WeakPolarHBondContact O-CD 3.3Å; Q174-R178 WeakPolarHBondContact O-CG 3.27Å; Q174-R178 PolarHBondContact O-NH1 2.97Å
175	R	98.8	Very high	98.5	Very high	31 Å²	31	49 Å²	49	12%	0.117	29%	0.286	C	S	.	.	H	α-helix	trans	-75.6	-43	-176.3	-63.7	-169.8	179.6	88.1	2.5	112.4	T118 D121 L144 A170 G171 R178 I179	T118-R175 PolarHBondContact OG1-NH2 3.12Å; D121-R175 IonicContact OD2-CZ 2.8Å; D121-R175 VanDerWaalsContact OD2-CZ 3.31Å; D121-R175 IonicContact OD2-NE 3.79Å; D121-R175 PolarHBondContact OD2-NE 3.38Å; D121-R175 IonicContact OD2-NH2 3.76Å; D121-R175 PolarHBondContact OD2-NH2 2.83Å; L144-R175 HydrophobicContact CB-CB 3.96Å; L144-R175 HydrophobicContact CD1-CB 4.43Å; A170-R175 PolarHBondContact O-NH1 2.83Å; G171-R175 PolarHBondContact O-N 2.91Å; R175-R178 PolarHBondContact O-N 2.78Å; R175-I179 HydrophobicContact CB-CD1 4.49Å; R175-I179 WeakPolarHBondContact O-CG1 3.07Å; R175-I179 PolarHBondContact O-N 2.84Å
176	L	98.8	Very high	98.5	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-57.3	-52.3	179.7	-170.9	66.4	0	0	0	112.4	L144 L159 G172 R178 I179 I180 A185 I189 L205	L144-L176 HydrophobicContact CD1-CB 4.08Å; L144-L176 HydrophobicContact CD1-CD1 4.3Å; L144-L176 HydrophobicContact CD2-CD1 4.16Å; L159-L176 HydrophobicContact CD1-CB 4.32Å; L159-L176 HydrophobicContact CD1-CD2 3.76Å; L159-L176 HydrophobicContact CG-CD2 4.46Å; G172-L176 WeakPolarHBondContact O-CB 3.37Å; G172-L176 PolarHBondContact O-N 2.9Å; G172-L176 VanDerWaalsContact O-N 3.11Å; L176-R178 VanDerWaalsContact C-N 3.26Å; L176-R178 PolarHBondContact O-N 2.89Å; L176-I179 PolarHBondContact O-N 2.82Å; L176-I180 HydrophobicContact CD1-CD1 3.58Å; L176-I180 HydrophobicContact CD1-CG1 3.97Å; L176-I180 HydrophobicContact CD2-CD1 4.3Å; L176-I180 HydrophobicContact CG-CD1 3.81Å; L176-I180 HydrophobicContact CG-CG1 4.05Å; L176-I180 WeakPolarHBondContact O-CG1 3.44Å; L176-I180 PolarHBondContact O-N 2.86Å; L176-A185 HydrophobicContact CB-CB 4.32Å; L176-A185 HydrophobicContact CD2-CB 3.99Å; L176-A185 HydrophobicContact CG-CB 3.82Å; L176-I189 HydrophobicContact CD2-CD1 4.09Å; L176-I189 HydrophobicContact CD2-CG1 4.09Å; L176-L205 HydrophobicContact CD1-CD1 3.57Å
177	P	98.8	Very high	98.6	Very high	27 Å²	27	48.9 Å²	48.9	18%	0.175	27%	0.266	C	S	.	.	H	α-helix	trans	-65.4	-25.4	179.3	24.4	-33.8	0	0	0	114.3	T173 Q174 G181 V182 A185	T173-P177 VanDerWaalsContact O-CG 3.22Å; T173-P177 WeakPolarHBondContact O-CG 3.25Å; Q174-P177 WeakPolarHBondContact O-CG 3.43Å; P177-G181 CarbonylContact O-C 3.59Å; P177-G181 VanDerWaalsContact O-C 3.3Å; P177-G181 WeakPolarHBondContact O-CA 3.45Å; P177-G181 PolarHBondContact O-N 3.29Å; P177-V182 HydrophobicContact CB-CG2 4.16Å; P177-A185 HydrophobicContact CB-CB 3.78Å; P177-A185 HydrophobicContact CG-CB 4.46Å
178	R	98.8	Very high	98.6	Very high	135 Å²	135	43.8 Å²	43.8	51%	0.509	24%	0.239	S	C	.	.	H	α-helix	trans	-71.1	-30.8	172.4	-75.1	171.2	170.7	71.8	-2.7	112.5	Q174 R175 L176 E250	Q174-R178 WeakPolarHBondContact O-CD 3.3Å; Q174-R178 WeakPolarHBondContact O-CG 3.27Å; Q174-R178 PolarHBondContact O-NH1 2.97Å; R175-R178 PolarHBondContact O-N 2.78Å; L176-R178 VanDerWaalsContact C-N 3.26Å; L176-R178 PolarHBondContact O-N 2.89Å; R178-E250 IonicContact CZ-OE1 2.87Å; R178-E250 IonicContact CZ-OE2 3.6Å; R178-E250 IonicContact NE-OE1 3.85Å; R178-E250 PolarHBondContact NE-OE1 3.39Å; R178-E250 IonicContact NE-OE2 3.95Å; R178-E250 IonicContact NH2-OE1 3.93Å; R178-E250 IonicContact NH2-OE2 3.87Å; R178-E250 PolarHBondContact NH2-OE2 3.12Å
179	I	98.6	Very high	98.6	Very high	54 Å²	54	44.6 Å²	44.6	28%	0.277	24%	0.243	S	C	.	.	H	α-helix	trans	-85.9	-46.6	-177.1	-69	163.9	0	0	0	111.8	L144 R175 L176 G204	L144-I179 HydrophobicContact CB-CD1 4.24Å; L144-I179 HydrophobicContact CD2-CD1 3.51Å; L144-I179 HydrophobicContact CG-CD1 4.45Å; R175-I179 HydrophobicContact CB-CD1 4.49Å; R175-I179 WeakPolarHBondContact O-CG1 3.07Å; R175-I179 PolarHBondContact O-N 2.84Å; L176-I179 PolarHBondContact O-N 2.82Å; I179-G204 WeakPolarHBondContact CG2-O 3.38Å
180	I	98.7	Very high	98.7	Very high	21 Å²	21	50.8 Å²	50.8	11%	0.108	27%	0.266	C	S	.	.	H	α-helix	trans	-114.8	6.9	-172.2	69.2	173.4	0	0	0	114.1	L176 L184 A185 L188 L203 L205	L176-I180 HydrophobicContact CD1-CD1 3.58Å; L176-I180 HydrophobicContact CD1-CG1 3.97Å; L176-I180 HydrophobicContact CD2-CD1 4.3Å; L176-I180 HydrophobicContact CG-CD1 3.81Å; L176-I180 HydrophobicContact CG-CG1 4.05Å; L176-I180 WeakPolarHBondContact O-CG1 3.44Å; L176-I180 PolarHBondContact O-N 2.86Å; I180-L184 HydrophobicContact CB-CD2 4.04Å; I180-L184 HydrophobicContact CD1-CB 4.27Å; I180-L184 HydrophobicContact CD1-CD2 3.86Å; I180-L184 HydrophobicContact CD1-CG 3.8Å; I180-L184 HydrophobicContact CG1-CB 4.39Å; I180-L184 HydrophobicContact CG1-CD2 4.22Å; I180-L184 HydrophobicContact CG1-CG 4.36Å; I180-A185 HydrophobicContact CD1-CB 4.41Å; I180-A185 HydrophobicContact CG1-CB 4.18Å; I180-L188 HydrophobicContact CD1-CD1 3.66Å; I180-L203 WeakPolarHBondContact CG2-O 3.44Å; I180-L205 HydrophobicContact CG2-CB 3.98Å; I180-L205 HydrophobicContact CG2-CD1 4.37Å
181	G	98.7	Very high	98.7	Very high	36 Å²	36	54.2 Å²	54.2	37%	0.371	29%	0.286	S	S	.	.			trans	81.7	153	-175.2	0	0	0	0	0	113.7	P177 S183 A185	P177-G181 CarbonylContact O-C 3.59Å; P177-G181 VanDerWaalsContact O-C 3.3Å; P177-G181 WeakPolarHBondContact O-CA 3.45Å; P177-G181 PolarHBondContact O-N 3.29Å; G181-S183 PolarHBondContact O-N 3.42Å; G181-A185 WeakPolarHBondContact O-CB 3.31Å; G181-A185 PolarHBondContact O-N 3.43Å; G181-A185 VanDerWaalsContact O-N 3.1Å
182	V	98.8	Very high	98.8	Very high	87 Å²	87	54 Å²	54	53%	0.527	28%	0.283	S	S	.	.	H	α-helix	trans	-61.1	-42.9	-172.1	177.6	0	0	0	0	112.8	P177 K186	P177-V182 HydrophobicContact CB-CG2 4.16Å; V182-K186 HydrophobicContact CG1-CD 4.15Å; V182-K186 WeakPolarHBondContact O-CB 3.36Å; V182-K186 WeakPolarHBondContact O-CG 2.97Å; V182-K186 PolarHBondContact O-N 3.14Å
183	S	98.8	Very high	98.8	Very high	98 Å²	98	57.5 Å²	57.5	69%	0.685	30%	0.296	S	S	*	.	H	α-helix	trans	-65.7	-47.6	-173.9	-168.7	0	0	0	0	111.8	G181 K186 E187	G181-S183 PolarHBondContact O-N 3.42Å; S183-K186 PolarHBondContact O-N 3.25Å; S183-E187 PolarHBondContact O-N 3.15Å
184	L	98.8	Very high	98.8	Very high	34 Å²	34	58.8 Å²	58.8	18%	0.178	30%	0.301	C	S	.	.	H	α-helix	trans	-70.5	-38.6	-178.8	-176.6	64.5	0	0	0	111.3	I180 K186 E187 L188 L203	I180-L184 HydrophobicContact CB-CD2 4.04Å; I180-L184 HydrophobicContact CD1-CB 4.27Å; I180-L184 HydrophobicContact CD1-CD2 3.86Å; I180-L184 HydrophobicContact CD1-CG 3.8Å; I180-L184 HydrophobicContact CG1-CB 4.39Å; I180-L184 HydrophobicContact CG1-CD2 4.22Å; I180-L184 HydrophobicContact CG1-CG 4.36Å; L184-K186 VanDerWaalsContact C-N 3.32Å; L184-K186 PolarHBondContact O-N 3.44Å; L184-E187 WeakPolarHBondContact O-CB 3.46Å; L184-E187 PolarHBondContact O-N 2.68Å; L184-L188 WeakPolarHBondContact O-CG 3.21Å; L184-L188 PolarHBondContact O-N 3.47Å; L184-L203 HydrophobicContact CD1-CD1 4.41Å; L184-L203 HydrophobicContact CD1-CD2 4.11Å; L184-L203 HydrophobicContact CD2-CB 3.88Å; L184-L203 HydrophobicContact CD2-CD1 4.16Å; L184-L203 HydrophobicContact CD2-CD2 3.67Å; L184-L203 HydrophobicContact CD2-CG 4.06Å
185	A	98.9	Very high	98.8	Very high	2 Å²	2	54 Å²	54	2%	0.017	28%	0.278	C	S	.	.	H	α-helix	trans	-59.3	-42.4	173.7	0	0	0	0	0	112.2	L176 P177 I180 G181 I189	L176-A185 HydrophobicContact CB-CB 4.32Å; L176-A185 HydrophobicContact CD2-CB 3.99Å; L176-A185 HydrophobicContact CG-CB 3.82Å; P177-A185 HydrophobicContact CB-CB 3.78Å; P177-A185 HydrophobicContact CG-CB 4.46Å; I180-A185 HydrophobicContact CD1-CB 4.41Å; I180-A185 HydrophobicContact CG1-CB 4.18Å; G181-A185 WeakPolarHBondContact O-CB 3.31Å; G181-A185 PolarHBondContact O-N 3.43Å; G181-A185 VanDerWaalsContact O-N 3.1Å; A185-I189 WeakPolarHBondContact O-CB 3.48Å; A185-I189 VanDerWaalsContact O-CG1 3.26Å; A185-I189 WeakPolarHBondContact O-CG1 3.44Å; A185-I189 PolarHBondContact O-N 3.42Å
186	K	98.9	Very high	98.8	Very high	109 Å²	109	54.8 Å²	54.8	47%	0.474	29%	0.285	S	S	.	.	H	α-helix	trans	-62.1	-46.2	173.3	-78.4	178.5	177.9	178.2	0	111.7	V182 S183 L184 L188 I189 F190	V182-K186 HydrophobicContact CG1-CD 4.15Å; V182-K186 WeakPolarHBondContact O-CB 3.36Å; V182-K186 WeakPolarHBondContact O-CG 2.97Å; V182-K186 PolarHBondContact O-N 3.14Å; S183-K186 PolarHBondContact O-N 3.25Å; L184-K186 VanDerWaalsContact C-N 3.32Å; L184-K186 PolarHBondContact O-N 3.44Å; K186-L188 PolarHBondContact O-N 3.23Å; K186-I189 PolarHBondContact O-N 2.97Å; K186-F190 HydrophobicContact CB-CD2 4.22Å; K186-F190 HydrophobicContact CB-CE1 4.5Å; K186-F190 HydrophobicContact CB-CE2 3.9Å; K186-F190 HydrophobicContact CB-CZ 4.06Å; K186-F190 HydrophobicContact CD-CE2 4.27Å; K186-F190 HydrophobicContact CD-CZ 4.11Å; K186-F190 HydrophobicContact CG-CE1 4.43Å; K186-F190 HydrophobicContact CG-CE2 4.22Å; K186-F190 HydrophobicContact CG-CZ 3.94Å; K186-F190 WeakPolarHBondContact O-CB 3.49Å; K186-F190 WeakPolarHBondContact O-CG 3.37Å; K186-F190 PolarHBondContact O-N 3.01Å
187	E	98.8	Very high	98.8	Very high	85 Å²	85	54.7 Å²	54.7	40%	0.397	28%	0.284	S	S	.	.	H	α-helix	trans	-55.5	-51.1	177.5	-175.7	-175.1	135.7	0	0	111.2	S183 L184 I189 T191 R193	S183-E187 PolarHBondContact O-N 3.15Å; L184-E187 WeakPolarHBondContact O-CB 3.46Å; L184-E187 PolarHBondContact O-N 2.68Å; E187-I189 PolarHBondContact O-N 3.06Å; E187-T191 WeakPolarHBondContact O-CB 3.12Å; E187-T191 WeakPolarHBondContact O-CG2 3.26Å; E187-T191 PolarHBondContact O-N 3.07Å; E187-T191 PolarHBondContact O-OG1 3.29Å; E187-R193 IonicContact OE1-CZ 3.69Å; E187-R193 IonicContact OE1-NH1 2.59Å; E187-R193 PolarHBondContact OE1-NH1 2.95Å; E187-R193 IonicContact OE1-NH2 2.91Å
188	L	98.8	Very high	98.8	Very high	8 Å²	8	58.8 Å²	58.8	4%	0.042	30%	0.299	C	S	.	.	H	α-helix	trans	-63.1	-43.3	-180	-66.2	-177.2	0	0	0	112.5	I180 L184 K186 A192 R193 V195 L203	I180-L188 HydrophobicContact CD1-CD1 3.66Å; L184-L188 WeakPolarHBondContact O-CG 3.21Å; L184-L188 PolarHBondContact O-N 3.47Å; K186-L188 PolarHBondContact O-N 3.23Å; L188-A192 VanDerWaalsContact O-CA 3.23Å; L188-A192 WeakPolarHBondContact O-CA 3.43Å; L188-A192 PolarHBondContact O-N 3.1Å; L188-R193 HydrophobicContact CD2-CB 4.12Å; L188-R193 PolarHBondContact O-N 3.1Å; L188-R193 VanDerWaalsContact O-N 3.13Å; L188-V195 HydrophobicContact CD2-CG1 3.88Å; L188-L203 HydrophobicContact CD1-CD1 4.38Å
189	I	98.9	Very high	98.8	Very high	20 Å²	20	54.6 Å²	54.6	10%	0.103	29%	0.285	C	S	.	.	H	α-helix	trans	-71.5	-42.9	-179.5	-68	169.2	0	0	0	111.6	L159 T162 P168 L176 A185 K186 E187 A192	L159-I189 HydrophobicContact CB-CG1 4.23Å; L159-I189 HydrophobicContact CD1-CD1 4.19Å; L159-I189 HydrophobicContact CD1-CG1 4.12Å; T162-I189 HydrophobicContact CG2-CG2 4.02Å; T162-I189 VanDerWaalsContact CG2-O 3.3Å; T162-I189 WeakPolarHBondContact CG2-O 3.47Å; T162-I189 PolarHBondContact OG1-O 2.98Å; P168-I189 HydrophobicContact CG-CD1 4.33Å; P168-I189 HydrophobicContact CG-CG1 4.31Å; P168-I189 HydrophobicContact CG-CG2 4.35Å; L176-I189 HydrophobicContact CD2-CD1 4.09Å; L176-I189 HydrophobicContact CD2-CG1 4.09Å; A185-I189 WeakPolarHBondContact O-CB 3.48Å; A185-I189 VanDerWaalsContact O-CG1 3.26Å; A185-I189 WeakPolarHBondContact O-CG1 3.44Å; A185-I189 PolarHBondContact O-N 3.42Å; K186-I189 PolarHBondContact O-N 2.97Å; E187-I189 PolarHBondContact O-N 3.06Å; I189-A192 PolarHBondContact O-N 3.43Å
190	F	98.8	Very high	98.8	Very high	148 Å²	148	52 Å²	52	65%	0.649	27%	0.272	S	S	*	.	H	α-helix	trans	-66.9	-39.1	-179	-67.8	-8.8	0	0	0	111.8	K186	K186-F190 HydrophobicContact CB-CD2 4.22Å; K186-F190 HydrophobicContact CB-CE1 4.5Å; K186-F190 HydrophobicContact CB-CE2 3.9Å; K186-F190 HydrophobicContact CB-CZ 4.06Å; K186-F190 HydrophobicContact CD-CE2 4.27Å; K186-F190 HydrophobicContact CD-CZ 4.11Å; K186-F190 HydrophobicContact CG-CE1 4.43Å; K186-F190 HydrophobicContact CG-CE2 4.22Å; K186-F190 HydrophobicContact CG-CZ 3.94Å; K186-F190 WeakPolarHBondContact O-CB 3.49Å; K186-F190 WeakPolarHBondContact O-CG 3.37Å; K186-F190 PolarHBondContact O-N 3.01Å
191	T	98.8	Very high	98.8	Very high	78 Å²	78	53.1 Å²	53.1	48%	0.479	28%	0.282	S	S	.	.	H	α-helix	trans	-86.6	-10.4	178.4	61.9	0	0	0	0	113.1	E187 R193	E187-T191 WeakPolarHBondContact O-CB 3.12Å; E187-T191 WeakPolarHBondContact O-CG2 3.26Å; E187-T191 PolarHBondContact O-N 3.07Å; E187-T191 PolarHBondContact O-OG1 3.29Å; T191-R193 PolarHBondContact O-N 3.07Å; T191-R193 WeakPolarHBondContact OG1-CB 3.46Å; T191-R193 PolarHBondContact OG1-N 3.21Å
192	A	98.6	Very high	98.8	Very high	3 Å²	3	60.1 Å²	60.1	3%	0.025	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	39.1	-170.3	0	0	0	0	0	112	V160 T162 Q163 L188 I189	V160-A192 HydrophobicContact CB-CB 4.09Å; V160-A192 HydrophobicContact CG1-CB 4.42Å; V160-A192 WeakPolarHBondContact CG1-O 3.35Å; T162-A192 WeakPolarHBondContact OG1-CB 3.46Å; Q163-A192 HydrophobicContact CB-CB 4.49Å; Q163-A192 HydrophobicContact CG-CB 3.51Å; Q163-A192 VanDerWaalsContact NE2-CB 3.26Å; Q163-A192 PolarHBondContact NE2-O 3.37Å; L188-A192 VanDerWaalsContact O-CA 3.23Å; L188-A192 WeakPolarHBondContact O-CA 3.43Å; L188-A192 PolarHBondContact O-N 3.1Å; I189-A192 PolarHBondContact O-N 3.43Å
193	R	98.4	Very high	98.7	Very high	74 Å²	74	57.2 Å²	57.2	28%	0.279	28%	0.278	S	S	.	.			trans	-74.6	138	-175.7	-174.5	172.4	86.7	-144.7	4.8	110.6	E187 L188 T191 E199	E187-R193 IonicContact OE1-CZ 3.69Å; E187-R193 IonicContact OE1-NH1 2.59Å; E187-R193 PolarHBondContact OE1-NH1 2.95Å; E187-R193 IonicContact OE1-NH2 2.91Å; L188-R193 HydrophobicContact CD2-CB 4.12Å; L188-R193 PolarHBondContact O-N 3.1Å; L188-R193 VanDerWaalsContact O-N 3.13Å; T191-R193 PolarHBondContact O-N 3.07Å; T191-R193 WeakPolarHBondContact OG1-CB 3.46Å; T191-R193 PolarHBondContact OG1-N 3.21Å; R193-E199 IonicContact CZ-OE1 3.31Å; R193-E199 IonicContact NE-OE1 2.85Å; R193-E199 IonicContact NH2-OE1 2.88Å; R193-E199 PolarHBondContact NH2-OE1 2.85Å
194	I	98.8	Very high	98.7	Very high	79 Å²	79	54.3 Å²	54.3	41%	0.405	27%	0.265	S	S	.	.			trans	-95.9	129.2	169.1	-63.2	174.3	0	0	0	108.3	L136 K156 M157 V160	L136-I194 HydrophobicContact CD2-CD1 3.94Å; L136-I194 HydrophobicContact CD2-CG1 4.05Å; K156-I194 HydrophobicContact CB-CG2 3.73Å; K156-I194 HydrophobicContact CD-CG2 4.23Å; K156-I194 HydrophobicContact CG-CG2 4.38Å; M157-I194 CarbonylContact O-C 3.42Å; M157-I194 WeakPolarHBondContact O-CA 3.39Å; V160-I194 HydrophobicContact CG1-CD1 4.22Å; V160-I194 HydrophobicContact CG1-CG1 3.8Å
195	V	98.8	Very high	98.7	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	155.2	174.9	-59.4	0	0	0	0	110.1	K156 M157 L188 E199 A200 L203 L205	K156-V195 WeakPolarHBondContact CA-O 3.33Å; M157-V195 HydrophobicContact CB-CG2 4.33Å; M157-V195 PolarHBondContact N-O 2.88Å; M157-V195 PolarHBondContact O-N 3.27Å; L188-V195 HydrophobicContact CD2-CG1 3.88Å; V195-E199 HydrophobicContact CB-CB 4.21Å; V195-E199 HydrophobicContact CB-CG 4.17Å; V195-E199 VanDerWaalsContact CG1-CD 3.48Å; V195-E199 HydrophobicContact CG1-CG 4.19Å; V195-E199 WeakPolarHBondContact CG1-OE2 3.26Å; V195-A200 HydrophobicContact CG2-CB 4.08Å; V195-L203 HydrophobicContact CG1-CD1 4.09Å; V195-L205 HydrophobicContact CG2-CD2 3.98Å
196	D	98.8	Very high	98.7	Very high	48 Å²	48	52.9 Å²	52.9	26%	0.257	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	177.8	172.7	73.6	19.5	0	0	0	113.2	A155 K156 K198 E199 A200	A155-D196 CarbonylContact O-C 3.59Å; A155-D196 WeakPolarHBondContact O-CA 3.32Å; K156-D196 HydrophobicContact CD-CB 4.09Å; K156-D196 VanDerWaalsContact NZ-CB 3.32Å; K156-D196 IonicContact NZ-OD2 2.68Å; D196-K198 VanDerWaalsContact C-N 3.32Å; D196-K198 PolarHBondContact O-N 3.05Å; D196-K198 PolarHBondContact OD1-N 3.18Å; D196-K198 VanDerWaalsContact OD1-N 3.08Å; D196-E199 PolarHBondContact O-N 3.15Å; D196-E199 PolarHBondContact OD1-N 3.02Å; D196-A200 WeakPolarHBondContact O-CB 3.46Å; D196-A200 PolarHBondContact O-N 2.88Å
197	G	98.7	Very high	98.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.1	-39.4	-179.2	0	0	0	0	0	113.7	S152 S153 A155 A200 S201 S209	S152-G197 WeakPolarHBondContact O-CA 3.48Å; S153-G197 PolarHBondContact O-N 3.23Å; S153-G197 VanDerWaalsContact O-N 3.13Å; A155-G197 PolarHBondContact O-N 2.86Å; A155-G197 VanDerWaalsContact O-N 3.1Å; G197-A200 PolarHBondContact O-N 3.23Å; G197-S201 PolarHBondContact O-N 3.37Å; G197-S209 VanDerWaalsContact C-OG 3.24Å; G197-S209 WeakPolarHBondContact O-CB 3.33Å; G197-S209 PolarHBondContact O-OG 3.22Å
198	K	98.8	Very high	98.7	Very high	113 Å²	113	50.6 Å²	50.6	49%	0.491	25%	0.25	S	S	.	.	H	α-helix	trans	-68	-48.5	-179.2	-61.7	-171.2	-179.3	-165.8	0	110.4	S153 D196 S201 R202 E211	S153-K198 VanDerWaalsContact CB-CE 3.48Å; D196-K198 VanDerWaalsContact C-N 3.32Å; D196-K198 PolarHBondContact O-N 3.05Å; D196-K198 PolarHBondContact OD1-N 3.18Å; D196-K198 VanDerWaalsContact OD1-N 3.08Å; K198-S201 PolarHBondContact O-N 3.34Å; K198-R202 PolarHBondContact O-N 2.97Å; K198-R202 VanDerWaalsContact O-N 3.12Å; K198-E211 WeakPolarHBondContact CE-OE1 3.4Å; K198-E211 IonicContact NZ-OE1 3.03Å; K198-E211 PolarHBondContact NZ-OE1 2.82Å; K198-E211 IonicContact NZ-OE2 2.84Å
199	E	98.8	Very high	98.7	Very high	47 Å²	47	52.1 Å²	52.1	22%	0.22	26%	0.261	C	S	.	.	H	α-helix	trans	-63.1	-45.1	175.8	-173.5	-177.6	178.3	0	0	110.8	R193 V195 D196 S201 R202 L203	R193-E199 IonicContact CZ-OE1 3.31Å; R193-E199 IonicContact NE-OE1 2.85Å; R193-E199 IonicContact NH2-OE1 2.88Å; R193-E199 PolarHBondContact NH2-OE1 2.85Å; V195-E199 HydrophobicContact CB-CB 4.21Å; V195-E199 HydrophobicContact CB-CG 4.17Å; V195-E199 VanDerWaalsContact CG1-CD 3.48Å; V195-E199 HydrophobicContact CG1-CG 4.19Å; V195-E199 WeakPolarHBondContact CG1-OE2 3.26Å; D196-E199 PolarHBondContact O-N 3.15Å; D196-E199 PolarHBondContact OD1-N 3.02Å; E199-S201 VanDerWaalsContact C-N 3.27Å; E199-S201 PolarHBondContact O-N 3.27Å; E199-R202 WeakPolarHBondContact O-CA 3.36Å; E199-R202 WeakPolarHBondContact O-CB 3.33Å; E199-R202 PolarHBondContact O-N 3.44Å; E199-R202 IonicContact OE1-NH2 3.96Å; E199-L203 HydrophobicContact CG-CD1 3.95Å; E199-L203 HydrophobicContact CG-CG 4.06Å; E199-L203 WeakPolarHBondContact O-CB 3.36Å; E199-L203 VanDerWaalsContact O-CG 3.28Å; E199-L203 WeakPolarHBondContact O-CG 3.3Å; E199-L203 PolarHBondContact O-N 3.47Å
200	A	98.8	Very high	98.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-56.2	-40.2	178.1	0	0	0	0	0	112.6	M157 V195 D196 G197 L203 G204 L205 V206	M157-A200 HydrophobicContact CE-CB 3.29Å; M157-A200 HydrophobicContact SD-CB 4.22Å; V195-A200 HydrophobicContact CG2-CB 4.08Å; D196-A200 WeakPolarHBondContact O-CB 3.46Å; D196-A200 PolarHBondContact O-N 2.88Å; G197-A200 PolarHBondContact O-N 3.23Å; A200-L203 PolarHBondContact O-N 2.85Å; A200-G204 PolarHBondContact O-N 3.25Å; A200-L205 HydrophobicContact CB-CB 4.04Å; A200-L205 HydrophobicContact CB-CD2 3.97Å; A200-L205 HydrophobicContact CB-CG 4.3Å; A200-L205 WeakPolarHBondContact O-CB 3.38Å; A200-L205 PolarHBondContact O-N 3.46Å; A200-V206 HydrophobicContact CB-CG1 4.22Å; A200-V206 HydrophobicContact CB-CG2 3.97Å; A200-V206 PolarHBondContact O-N 3.11Å
201	S	98.8	Very high	98.7	Very high	45 Å²	45	51.2 Å²	51.2	32%	0.315	26%	0.26	S	S	.	.	H	α-helix	trans	-67.2	-43.3	175.5	-179.1	0	0	0	0	111.6	G197 K198 E199 L203 G204	G197-S201 PolarHBondContact O-N 3.37Å; K198-S201 PolarHBondContact O-N 3.34Å; E199-S201 VanDerWaalsContact C-N 3.27Å; E199-S201 PolarHBondContact O-N 3.27Å; S201-L203 PolarHBondContact O-N 3.27Å; S201-G204 PolarHBondContact O-N 2.92Å
202	R	98.6	Very high	98.7	Very high	183 Å²	183	50 Å²	50	69%	0.691	25%	0.249	S	C	*	.	H	α-helix	trans	-59.4	-35.2	175	-174.4	-175.9	67.6	91.2	-0.1	112.7	K198 E199 G204	K198-R202 PolarHBondContact O-N 2.97Å; K198-R202 VanDerWaalsContact O-N 3.12Å; E199-R202 WeakPolarHBondContact O-CA 3.36Å; E199-R202 WeakPolarHBondContact O-CB 3.33Å; E199-R202 PolarHBondContact O-N 3.44Å; E199-R202 IonicContact OE1-NH2 3.96Å; R202-G204 VanDerWaalsContact C-N 3.3Å
203	L	98.4	Very high	98.6	Very high	25 Å²	25	52.3 Å²	52.3	13%	0.131	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-8	178.4	-66.1	-174.5	0	0	0	113.5	I180 L184 L188 V195 E199 A200 S201 L205	I180-L203 WeakPolarHBondContact CG2-O 3.44Å; L184-L203 HydrophobicContact CD1-CD1 4.41Å; L184-L203 HydrophobicContact CD1-CD2 4.11Å; L184-L203 HydrophobicContact CD2-CB 3.88Å; L184-L203 HydrophobicContact CD2-CD1 4.16Å; L184-L203 HydrophobicContact CD2-CD2 3.67Å; L184-L203 HydrophobicContact CD2-CG 4.06Å; L188-L203 HydrophobicContact CD1-CD1 4.38Å; V195-L203 HydrophobicContact CG1-CD1 4.09Å; E199-L203 HydrophobicContact CG-CD1 3.95Å; E199-L203 HydrophobicContact CG-CG 4.06Å; E199-L203 WeakPolarHBondContact O-CB 3.36Å; E199-L203 VanDerWaalsContact O-CG 3.28Å; E199-L203 WeakPolarHBondContact O-CG 3.3Å; E199-L203 PolarHBondContact O-N 3.47Å; A200-L203 PolarHBondContact O-N 2.85Å; S201-L203 PolarHBondContact O-N 3.27Å; L203-L205 VanDerWaalsContact C-N 3.25Å; L203-L205 PolarHBondContact O-N 2.87Å
204	G	98.6	Very high	98.5	Very high	38 Å²	38	57.3 Å²	57.3	39%	0.392	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	8.8	-172.9	0	0	0	0	0	114.4	I179 A200 S201 R202 V206	I179-G204 WeakPolarHBondContact CG2-O 3.38Å; A200-G204 PolarHBondContact O-N 3.25Å; S201-G204 PolarHBondContact O-N 2.92Å; R202-G204 VanDerWaalsContact C-N 3.3Å; G204-V206 VanDerWaalsContact C-N 3.31Å
205	L	98.8	Very high	98.4	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.01	30%	0.304	C	S	.	.	S	Bend	trans	-66.8	-35.7	177.1	178	60.4	0	0	0	111.5	L140 L144 R149 M157 L176 I180 V195 A200 L203	L140-L205 HydrophobicContact CD1-CD1 4.46Å; L144-L205 HydrophobicContact CD2-CD1 3.68Å; R149-L205 WeakPolarHBondContact CD-O 3.5Å; R149-L205 PolarHBondContact NE-O 2.93Å; M157-L205 HydrophobicContact CB-CD2 4.28Å; M157-L205 HydrophobicContact SD-CD2 4.49Å; L176-L205 HydrophobicContact CD1-CD1 3.57Å; I180-L205 HydrophobicContact CG2-CB 3.98Å; I180-L205 HydrophobicContact CG2-CD1 4.37Å; V195-L205 HydrophobicContact CG2-CD2 3.98Å; A200-L205 HydrophobicContact CB-CB 4.04Å; A200-L205 HydrophobicContact CB-CD2 3.97Å; A200-L205 HydrophobicContact CB-CG 4.3Å; A200-L205 WeakPolarHBondContact O-CB 3.38Å; A200-L205 PolarHBondContact O-N 3.46Å; L203-L205 VanDerWaalsContact C-N 3.25Å; L203-L205 PolarHBondContact O-N 2.87Å
206	V	98.9	Very high	98.3	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.024	31%	0.314	C	S	.	.	S	Bend	trans	-124.7	147.4	174.4	-56.6	0	0	0	0	110.4	I131 R149 A151 M157 A200 G204 H208	I131-V206 HydrophobicContact CD1-CG1 4.36Å; R149-V206 HydrophobicContact CB-CB 4.08Å; R149-V206 HydrophobicContact CB-CG1 3.89Å; A151-V206 HydrophobicContact CB-CB 4.49Å; A151-V206 HydrophobicContact CB-CG1 4.06Å; A151-V206 HydrophobicContact CB-CG2 4.24Å; M157-V206 HydrophobicContact CE-CG1 4.36Å; M157-V206 HydrophobicContact SD-CG1 3.83Å; A200-V206 HydrophobicContact CB-CG1 4.22Å; A200-V206 HydrophobicContact CB-CG2 3.97Å; A200-V206 PolarHBondContact O-N 3.11Å; G204-V206 VanDerWaalsContact C-N 3.31Å; V206-H208 WeakPolarHBondContact CG2-O 3.48Å
207	N	98.8	Very high	98.3	Very high	79 Å²	79	58.5 Å²	58.5	42%	0.422	31%	0.313	S	S	.	.	S	Bend	trans	-70.1	-37.2	179.1	-59.3	80.4	0	0	0	111.3	I148 R149	I148-N207 HydrophobicContact CG2-CB 4.11Å; R149-N207 PolarHBondContact N-OD1 3.24Å; R149-N207 WeakPolarHBondContact O-CB 3.48Å; R149-N207 PolarHBondContact O-N 3.32Å; R149-N207 PolarHBondContact O-OD1 3.41Å
208	H	98.8	Very high	98.3	Very high	67 Å²	67	59 Å²	59	31%	0.31	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	140.5	-178.9	-58.9	-76	0	0	0	111.5	R149 I150 A151 V206 Y222	R149-H208 PolarHBondContact O-N 3.01Å; I150-H208 WeakPolarHBondContact CA-O 3.37Å; I150-H208 HydrophobicContact CG1-CB 4.24Å; I150-H208 HydrophobicContact CG2-CB 4.19Å; A151-H208 PolarHBondContact N-O 3.25Å; V206-H208 WeakPolarHBondContact CG2-O 3.48Å; H208-Y222 HydrophobicContact CB-CE1 4.13Å; H208-Y222 AromaticContact CD2-CE1 3.57Å; H208-Y222 PolarHBondContact CE1-OH 3Å; H208-Y222 AromaticContact CG-CE1 3.7Å; H208-Y222 AromaticContact CG-CZ 3.9Å; H208-Y222 AromaticContact ND1-CZ 3.98Å; H208-Y222 PolarHBondContact ND1-OH 3.36Å
209	S	98.7	Very high	98.3	Very high	39 Å²	39	53.7 Å²	53.7	27%	0.273	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.6	162.7	-173.7	0	0	0	0	109.6	A151 S153 G197	A151-S209 CarbonylContact O-C 3.6Å; A151-S209 VanDerWaalsContact O-CA 3.26Å; A151-S209 WeakPolarHBondContact O-CA 3.46Å; S153-S209 WeakPolarHBondContact CA-OG 3.47Å; G197-S209 VanDerWaalsContact C-OG 3.24Å; G197-S209 WeakPolarHBondContact O-CB 3.33Å; G197-S209 PolarHBondContact O-OG 3.22Å
210	V	98.7	Very high	98.3	Very high	23 Å²	23	53.1 Å²	53.1	14%	0.139	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	142.3	-178.8	-62.5	0	0	0	0	110.4	I150 A151 S152 S153 Q212 A218 A219 Y222	I150-V210 HydrophobicContact CG2-CG1 4.31Å; I150-V210 HydrophobicContact CG2-CG2 4.33Å; A151-V210 PolarHBondContact O-N 3.28Å; S152-V210 CarbonylContact C-O 3.56Å; S152-V210 VanDerWaalsContact CA-O 3.26Å; S152-V210 WeakPolarHBondContact CA-O 3.41Å; S153-V210 PolarHBondContact N-O 3.08Å; V210-Q212 PolarHBondContact O-N 2.91Å; V210-A218 HydrophobicContact CG2-CB 3.92Å; V210-A219 HydrophobicContact CG2-CB 4.27Å; V210-Y222 HydrophobicContact CG1-CD2 3.61Å; V210-Y222 HydrophobicContact CG1-CE2 4.16Å; V210-Y222 HydrophobicContact CG1-CG 3.91Å
211	E	98.6	Very high	98.3	Very high	126 Å²	126	57 Å²	57	59%	0.589	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-64.2	134.6	175.1	-67.9	-63.3	169.5	0	0	110.3	S153 K198 A218	S153-E211 WeakPolarHBondContact CB-OE2 3.4Å; S153-E211 PolarHBondContact OG-OE2 3.12Å; K198-E211 WeakPolarHBondContact CE-OE1 3.4Å; K198-E211 IonicContact NZ-OE1 3.03Å; K198-E211 PolarHBondContact NZ-OE1 2.82Å; K198-E211 IonicContact NZ-OE2 2.84Å; E211-A218 VanDerWaalsContact O-CB 3.29Å; E211-A218 WeakPolarHBondContact O-CB 3.37Å
212	Q	97.9	Very high	98.3	Very high	54 Å²	54	58.4 Å²	58.4	25%	0.252	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-69.5	140.4	-177.2	-169.8	54	-78.6	0	0	110.6	D132 S152 V210	D132-Q212 PolarHBondContact O-NE2 3.01Å; D132-Q212 PolarHBondContact OD1-NE2 3.41Å; D132-Q212 PolarHBondContact OD1-OE1 3.21Å; S152-Q212 PolarHBondContact OG-NE2 3.18Å; V210-Q212 PolarHBondContact O-N 2.91Å
213	N	97.5	Very high	98.3	Very high	51 Å²	51	49.7 Å²	49.7	27%	0.273	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-96.7	170.4	177.9	70.8	24.9	0	0	0	111.2	S215 G216 D217 A218 L221	N213-S215 PolarHBondContact O-N 3.02Å; N213-S215 WeakPolarHBondContact OD1-CA 3.29Å; N213-S215 WeakPolarHBondContact OD1-CB 3.31Å; N213-S215 PolarHBondContact OD1-N 3.26Å; N213-G216 PolarHBondContact O-N 2.89Å; N213-G216 PolarHBondContact OD1-N 3.31Å; N213-D217 PolarHBondContact ND2-OD1 2.76Å; N213-D217 PolarHBondContact OD1-N 3.27Å; N213-D217 PolarHBondContact OD1-OD1 3.03Å; N213-A218 HydrophobicContact CB-CB 4.27Å; N213-A218 PolarHBondContact ND2-N 2.99Å; N213-L221 WeakPolarHBondContact ND2-CD1 3.48Å
214	D	96.6	Very high	98.3	Very high	179 Å²	179	49.1 Å²	49.1	96%	0.957	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.9	-179.4	-63.3	-24.1	0	0	0	113.6	G216	D214-G216 VanDerWaalsContact C-N 3.35Å
215	S	96	Very high	98.3	Very high	90 Å²	90	52.1 Å²	52.1	63%	0.629	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-11.3	177.9	-61.5	0	0	0	0	112.8	N213 D217	N213-S215 PolarHBondContact O-N 3.02Å; N213-S215 WeakPolarHBondContact OD1-CA 3.29Å; N213-S215 WeakPolarHBondContact OD1-CB 3.31Å; N213-S215 PolarHBondContact OD1-N 3.26Å; S215-D217 VanDerWaalsContact C-N 3.34Å; S215-D217 WeakPolarHBondContact CB-OD1 3.42Å
216	G	97.3	Very high	98.3	Very high	22 Å²	22	53.3 Å²	53.3	23%	0.227	28%	0.283	C	S	.	.	S	Bend	trans	69.3	27	-178.8	0	0	0	0	0	114.1	D132 N213 D214	D132-G216 VanDerWaalsContact CB-O 3.31Å; D132-G216 WeakPolarHBondContact CB-O 3.3Å; N213-G216 PolarHBondContact O-N 2.89Å; N213-G216 PolarHBondContact OD1-N 3.31Å; D214-G216 VanDerWaalsContact C-N 3.35Å
217	D	98.4	Very high	98.3	Very high	42 Å²	42	53.1 Å²	53.1	23%	0.225	28%	0.282	C	S	.	.			trans	-131.1	22.2	-174.6	73.3	-11.8	0	0	0	114	N213 S215 A219 Y220 L221	N213-D217 PolarHBondContact ND2-OD1 2.76Å; N213-D217 PolarHBondContact OD1-N 3.27Å; N213-D217 PolarHBondContact OD1-OD1 3.03Å; S215-D217 VanDerWaalsContact C-N 3.34Å; S215-D217 WeakPolarHBondContact CB-OD1 3.42Å; D217-A219 VanDerWaalsContact C-N 3.35Å; D217-A219 PolarHBondContact O-N 3.42Å; D217-Y220 HydrophobicContact CB-CD1 4.43Å; D217-Y220 WeakPolarHBondContact O-CB 3.42Å; D217-Y220 PolarHBondContact O-N 2.92Å; D217-Y220 VanDerWaalsContact O-N 3.17Å; D217-L221 WeakPolarHBondContact O-CG 3.39Å; D217-L221 PolarHBondContact O-N 3.44Å
218	A	98.6	Very high	98.3	Very high	11 Å²	11	53.7 Å²	53.7	9%	0.091	28%	0.279	C	S	.	.	H	α-helix	trans	-60.3	-40.7	-175.7	0	0	0	0	0	113.2	D132 V210 E211 N213 L221 Y222	D132-A218 PolarHBondContact OD1-N 2.95Å; D132-A218 VanDerWaalsContact OD1-N 3.09Å; V210-A218 HydrophobicContact CG2-CB 3.92Å; E211-A218 VanDerWaalsContact O-CB 3.29Å; E211-A218 WeakPolarHBondContact O-CB 3.37Å; N213-A218 HydrophobicContact CB-CB 4.27Å; N213-A218 PolarHBondContact ND2-N 2.99Å; A218-L221 PolarHBondContact O-N 3.45Å; A218-Y222 PolarHBondContact O-N 3.26Å
219	A	98.8	Very high	98.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-67.7	-37.9	177.5	0	0	0	0	0	111.3	D132 I150 V210 D217 Y222 A223	D132-A219 WeakPolarHBondContact OD1-CB 3.41Å; D132-A219 PolarHBondContact OD1-N 3.02Å; D132-A219 WeakPolarHBondContact OD2-CB 3.28Å; D132-A219 PolarHBondContact OD2-N 2.99Å; I150-A219 HydrophobicContact CG2-CB 3.97Å; V210-A219 HydrophobicContact CG2-CB 4.27Å; D217-A219 VanDerWaalsContact C-N 3.35Å; D217-A219 PolarHBondContact O-N 3.42Å; A219-Y222 PolarHBondContact O-N 2.96Å; A219-A223 WeakPolarHBondContact O-CB 3.42Å; A219-A223 PolarHBondContact O-N 3.35Å
220	Y	98.8	Very high	98.2	Very high	35 Å²	35	54.9 Å²	54.9	14%	0.137	28%	0.281	C	S	.	.	H	α-helix	trans	-62.2	-45.3	172.7	168.3	-100.8	0	0	0	112.6	V43 I80 D132 D217 Y222 A223 L224	V43-Y220 HydrophobicContact CG1-CE2 3.92Å; V43-Y220 HydrophobicContact CG2-CE2 3.97Å; I80-Y220 HydrophobicContact CG2-CD2 4.12Å; I80-Y220 HydrophobicContact CG2-CE2 4.4Å; D132-Y220 PolarHBondContact OD2-N 2.93Å; D217-Y220 HydrophobicContact CB-CD1 4.43Å; D217-Y220 WeakPolarHBondContact O-CB 3.42Å; D217-Y220 PolarHBondContact O-N 2.92Å; D217-Y220 VanDerWaalsContact O-N 3.17Å; Y220-Y222 VanDerWaalsContact C-N 3.34Å; Y220-Y222 PolarHBondContact O-N 2.94Å; Y220-A223 WeakPolarHBondContact O-CB 3.37Å; Y220-A223 PolarHBondContact O-N 3.38Å; Y220-L224 PolarHBondContact O-N 3.27Å
221	L	98.8	Very high	98.1	Very high	82 Å²	82	55 Å²	55	43%	0.429	28%	0.281	S	S	.	.	H	α-helix	trans	-62.4	-41.8	178.1	-68.2	177.2	0	0	0	111.8	N213 D217 A218 L224 E225	N213-L221 WeakPolarHBondContact ND2-CD1 3.48Å; D217-L221 WeakPolarHBondContact O-CG 3.39Å; D217-L221 PolarHBondContact O-N 3.44Å; A218-L221 PolarHBondContact O-N 3.45Å; L221-L224 WeakPolarHBondContact O-CB 3.36Å; L221-L224 PolarHBondContact O-N 3.28Å; L221-E225 PolarHBondContact O-N 3.33Å
222	Y	98.8	Very high	98	Very high	74 Å²	74	52.7 Å²	52.7	29%	0.29	28%	0.276	S	S	.	.	H	α-helix	trans	-66.9	-37.6	175.2	-165.7	-75.9	0	0	0	111.6	I150 H208 V210 A218 A219 Y220 L224 E225 L226	I150-Y222 HydrophobicContact CD1-CD1 3.6Å; I150-Y222 HydrophobicContact CD1-CE1 4.32Å; I150-Y222 HydrophobicContact CG1-CD1 3.94Å; I150-Y222 HydrophobicContact CG1-CE1 4.43Å; I150-Y222 HydrophobicContact CG2-CD1 4.05Å; I150-Y222 HydrophobicContact CG2-CG 4.28Å; H208-Y222 HydrophobicContact CB-CE1 4.13Å; H208-Y222 AromaticContact CD2-CE1 3.57Å; H208-Y222 PolarHBondContact CE1-OH 3Å; H208-Y222 AromaticContact CG-CE1 3.7Å; H208-Y222 AromaticContact CG-CZ 3.9Å; H208-Y222 AromaticContact ND1-CZ 3.98Å; H208-Y222 PolarHBondContact ND1-OH 3.36Å; V210-Y222 HydrophobicContact CG1-CD2 3.61Å; V210-Y222 HydrophobicContact CG1-CE2 4.16Å; V210-Y222 HydrophobicContact CG1-CG 3.91Å; A218-Y222 PolarHBondContact O-N 3.26Å; A219-Y222 PolarHBondContact O-N 2.96Å; Y220-Y222 VanDerWaalsContact C-N 3.34Å; Y220-Y222 PolarHBondContact O-N 2.94Å; Y222-L224 VanDerWaalsContact C-N 3.29Å; Y222-L224 PolarHBondContact O-N 3.21Å; Y222-E225 PolarHBondContact O-N 3Å; Y222-L226 PolarHBondContact O-N 3.03Å
223	A	98.9	Very high	98	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-38.1	174.2	0	0	0	0	0	111.9	I80 I128 A130 I150 A219 Y220 L226 A227	I80-A223 HydrophobicContact CD1-CB 4.19Å; I80-A223 HydrophobicContact CG1-CB 4.42Å; I80-A223 HydrophobicContact CG2-CB 4.03Å; I128-A223 HydrophobicContact CB-CB 4.46Å; I128-A223 HydrophobicContact CG2-CB 3.67Å; A130-A223 HydrophobicContact CB-CB 4Å; I150-A223 VanDerWaalsContact CD1-CA 3.45Å; I150-A223 HydrophobicContact CD1-CB 3.72Å; A219-A223 WeakPolarHBondContact O-CB 3.42Å; A219-A223 PolarHBondContact O-N 3.35Å; Y220-A223 WeakPolarHBondContact O-CB 3.37Å; Y220-A223 PolarHBondContact O-N 3.38Å; A223-L226 PolarHBondContact O-N 3.49Å; A223-A227 WeakPolarHBondContact O-CB 3.38Å; A223-A227 PolarHBondContact O-N 3.13Å
224	L	98.8	Very high	98.1	Very high	13 Å²	13	52.7 Å²	52.7	7%	0.068	28%	0.278	C	S	.	.	H	α-helix	trans	-65.5	-43.5	174.9	-169.1	68.9	0	0	0	111.4	L34 I41 I80 Y220 L221 Y222 L226 A227 R228	L34-L224 HydrophobicContact CD1-CD1 3.72Å; I41-L224 HydrophobicContact CD1-CD1 3.78Å; I41-L224 HydrophobicContact CG2-CD1 4.32Å; I80-L224 HydrophobicContact CD1-CB 4.35Å; I80-L224 HydrophobicContact CD1-CD1 4.14Å; Y220-L224 PolarHBondContact O-N 3.27Å; L221-L224 WeakPolarHBondContact O-CB 3.36Å; L221-L224 PolarHBondContact O-N 3.28Å; Y222-L224 VanDerWaalsContact C-N 3.29Å; Y222-L224 PolarHBondContact O-N 3.21Å; L224-L226 PolarHBondContact O-N 3.34Å; L224-A227 PolarHBondContact O-N 2.92Å; L224-R228 VanDerWaalsContact O-CG 3.25Å; L224-R228 WeakPolarHBondContact O-CG 3.49Å; L224-R228 PolarHBondContact O-N 3.47Å
225	E	98.6	Very high	98.1	Very high	102 Å²	102	44.5 Å²	44.5	48%	0.477	24%	0.235	S	C	.	.	H	α-helix	trans	-58.6	-46.5	173.6	-173.9	-179.1	170.3	0	0	111.8	L221 Y222 A227 R228 Q229	L221-E225 PolarHBondContact O-N 3.33Å; Y222-E225 PolarHBondContact O-N 3Å; E225-A227 PolarHBondContact O-N 2.63Å; E225-R228 WeakPolarHBondContact O-CB 3.49Å; E225-R228 PolarHBondContact O-N 3.22Å; E225-Q229 WeakPolarHBondContact O-CG 3.07Å; E225-Q229 PolarHBondContact O-N 3.11Å; E225-Q229 VanDerWaalsContact O-N 3.11Å
226	L	98.7	Very high	98.3	Very high	26 Å²	26	42 Å²	42	14%	0.136	21%	0.214	C	C	.	.	H	α-helix	trans	-65.1	-40.7	178.8	-172	59.2	0	0	0	111.9	I128 I148 I150 Y222 A223 L224 R228 Q229 I230	I128-L226 HydrophobicContact CD1-CB 4.24Å; I128-L226 HydrophobicContact CD1-CD2 4.27Å; I128-L226 HydrophobicContact CD1-CG 4.23Å; I148-L226 HydrophobicContact CD1-CD2 3.93Å; I148-L226 HydrophobicContact CG2-CD2 3.78Å; I150-L226 HydrophobicContact CD1-CD2 4.2Å; Y222-L226 PolarHBondContact O-N 3.03Å; A223-L226 PolarHBondContact O-N 3.49Å; L224-L226 PolarHBondContact O-N 3.34Å; L226-R228 VanDerWaalsContact C-N 3.29Å; L226-R228 PolarHBondContact O-N 3Å; L226-Q229 WeakPolarHBondContact O-CB 3.36Å; L226-Q229 PolarHBondContact O-N 2.91Å; L226-I230 HydrophobicContact CG-CD1 4.29Å; L226-I230 WeakPolarHBondContact O-CG1 3.4Å; L226-I230 PolarHBondContact O-N 2.95Å; L226-I230 VanDerWaalsContact O-N 3.08Å
227	A	98.7	Very high	98.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.3	-36.8	173.7	0	0	0	0	0	112.3	I41 I80 I128 A223 L224 E225 Q229 I230 N231	I41-A227 HydrophobicContact CD1-CB 3.66Å; I41-A227 HydrophobicContact CG1-CB 4.05Å; I41-A227 HydrophobicContact CG2-CB 4.26Å; I80-A227 HydrophobicContact CD1-CB 4.13Å; I128-A227 HydrophobicContact CD1-CB 4.12Å; A223-A227 WeakPolarHBondContact O-CB 3.38Å; A223-A227 PolarHBondContact O-N 3.13Å; L224-A227 PolarHBondContact O-N 2.92Å; E225-A227 PolarHBondContact O-N 2.63Å; A227-Q229 VanDerWaalsContact C-N 3.27Å; A227-Q229 PolarHBondContact O-N 3.15Å; A227-I230 PolarHBondContact O-N 3.07Å; A227-N231 WeakPolarHBondContact O-CB 3.34Å; A227-N231 PolarHBondContact O-N 3.44Å; A227-N231 PolarHBondContact O-OD1 2.78Å
228	R	98.5	Very high	98.4	Very high	92 Å²	92	42.5 Å²	42.5	35%	0.347	22%	0.218	S	C	.	.	H	α-helix	trans	-66.7	-27.1	173.2	-69.7	162.5	-179.4	-171.8	-12.9	113.2	E37 D38 I41 L224 E225 L226 P232	E37-R228 IonicContact OE1-CZ 3.97Å; E37-R228 IonicContact OE1-NH1 3.4Å; E37-R228 IonicContact OE1-NH2 3.93Å; E37-R228 PolarHBondContact OE1-NH2 3.45Å; D38-R228 VanDerWaalsContact CG-NH2 3.32Å; D38-R228 IonicContact OD1-CZ 2.65Å; D38-R228 VanDerWaalsContact OD1-CZ 3.25Å; D38-R228 IonicContact OD1-NE 3.72Å; D38-R228 PolarHBondContact OD1-NE 2.63Å; D38-R228 IonicContact OD1-NH2 3.25Å; D38-R228 PolarHBondContact OD1-NH2 3.34Å; D38-R228 IonicContact OD2-CZ 3.94Å; D38-R228 IonicContact OD2-NE 2.78Å; D38-R228 IonicContact OD2-NH2 3.8Å; D38-R228 PolarHBondContact OD2-NH2 3.34Å; I41-R228 HydrophobicContact CD1-CG 4.18Å; L224-R228 VanDerWaalsContact O-CG 3.25Å; L224-R228 WeakPolarHBondContact O-CG 3.49Å; L224-R228 PolarHBondContact O-N 3.47Å; E225-R228 WeakPolarHBondContact O-CB 3.49Å; E225-R228 PolarHBondContact O-N 3.22Å; L226-R228 VanDerWaalsContact C-N 3.29Å; L226-R228 PolarHBondContact O-N 3Å; R228-P232 WeakPolarHBondContact O-CD 3.45Å; R228-P232 WeakPolarHBondContact O-CG 3.22Å
229	Q	98.1	Very high	98.4	Very high	104 Å²	104	44.6 Å²	44.6	49%	0.486	22%	0.223	S	C	.	.	H	α-helix	trans	-74.1	-36.5	172.8	-64.7	176	31.7	0	0	111.4	E225 L226 A227 P232 Q233	E225-Q229 WeakPolarHBondContact O-CG 3.07Å; E225-Q229 PolarHBondContact O-N 3.11Å; E225-Q229 VanDerWaalsContact O-N 3.11Å; L226-Q229 WeakPolarHBondContact O-CB 3.36Å; L226-Q229 PolarHBondContact O-N 2.91Å; A227-Q229 VanDerWaalsContact C-N 3.27Å; A227-Q229 PolarHBondContact O-N 3.15Å; Q229-P232 WeakPolarHBondContact O-CD 3.23Å; Q229-Q233 VanDerWaalsContact O-CD 3.29Å; Q229-Q233 PolarHBondContact O-NE2 3.44Å; Q229-Q233 PolarHBondContact O-OE1 2.88Å
230	I	98.1	Very high	98.4	Very high	27 Å²	27	46.6 Å²	46.6	14%	0.138	23%	0.233	C	C	.	.	H	α-helix	trans	-73.8	-47	-179	-67.3	166.6	0	0	0	112.6	P126 I128 I148 L226 A227 P232 Q233	P126-I230 HydrophobicContact CB-CD1 4.33Å; P126-I230 HydrophobicContact CB-CG2 4.36Å; P126-I230 HydrophobicContact CG-CG2 3.93Å; I128-I230 HydrophobicContact CD1-CD1 4.21Å; I148-I230 HydrophobicContact CD1-CD1 4.41Å; L226-I230 HydrophobicContact CG-CD1 4.29Å; L226-I230 WeakPolarHBondContact O-CG1 3.4Å; L226-I230 PolarHBondContact O-N 2.95Å; L226-I230 VanDerWaalsContact O-N 3.08Å; A227-I230 PolarHBondContact O-N 3.07Å; I230-P232 VanDerWaalsContact C-N 3.32Å; I230-P232 VanDerWaalsContact O-N 3.16Å; I230-Q233 WeakPolarHBondContact O-CB 3.18Å; I230-Q233 PolarHBondContact O-N 2.91Å; I230-Q233 PolarHBondContact O-OE1 2.71Å
231	N	96.2	Very high	98.4	Very high	26 Å²	26	47.1 Å²	47.1	14%	0.139	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-31.2	-170.9	-83.3	19.7	0	0	0	115.9	A39 I41 R77 S78 A227 Q233	A39-N231 PolarHBondContact O-ND2 2.86Å; A39-N231 VanDerWaalsContact O-ND2 3.17Å; I41-N231 WeakPolarHBondContact CG1-ND2 3.5Å; R77-N231 HydrophobicContact CB-CB 4.37Å; R77-N231 VanDerWaalsContact CB-OD1 3.28Å; R77-N231 WeakPolarHBondContact CB-OD1 3.4Å; S78-N231 PolarHBondContact OG-OD1 3.37Å; A227-N231 WeakPolarHBondContact O-CB 3.34Å; A227-N231 PolarHBondContact O-N 3.44Å; A227-N231 PolarHBondContact O-OD1 2.78Å; N231-Q233 VanDerWaalsContact C-N 3.26Å; N231-Q233 PolarHBondContact O-N 2.9Å
232	P	96.6	Very high	98.4	Very high	77 Å²	77	44.1 Å²	44.1	50%	0.5	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-8.3	174.9	-22.1	34	0	0	0	115.5	R228 Q229 I230 F288	R228-P232 WeakPolarHBondContact O-CD 3.45Å; R228-P232 WeakPolarHBondContact O-CG 3.22Å; Q229-P232 WeakPolarHBondContact O-CD 3.23Å; I230-P232 VanDerWaalsContact C-N 3.32Å; I230-P232 VanDerWaalsContact O-N 3.16Å; P232-F288 VanDerWaalsContact O-CD2 3.24Å; P232-F288 WeakPolarHBondContact O-CD2 3.26Å
233	Q	98.4	Very high	98.4	Very high	91 Å²	91	43.9 Å²	43.9	43%	0.425	23%	0.232	S	C	.	.	S	Bend	trans	-77.9	163.9	177.6	-78.2	78.8	76.9	0	0	112.5	Q229 I230 N231 P235 V238 F288	Q229-Q233 VanDerWaalsContact O-CD 3.29Å; Q229-Q233 PolarHBondContact O-NE2 3.44Å; Q229-Q233 PolarHBondContact O-OE1 2.88Å; I230-Q233 WeakPolarHBondContact O-CB 3.18Å; I230-Q233 PolarHBondContact O-N 2.91Å; I230-Q233 PolarHBondContact O-OE1 2.71Å; N231-Q233 VanDerWaalsContact C-N 3.26Å; N231-Q233 PolarHBondContact O-N 2.9Å; Q233-P235 WeakPolarHBondContact O-CD 3.34Å; Q233-P235 VanDerWaalsContact O-N 3.12Å; Q233-V238 HydrophobicContact CB-CG2 3.67Å; Q233-F288 VanDerWaalsContact C-CD2 3.43Å
234	G	98.2	Very high	98.4	Very high	13 Å²	13	44.6 Å²	44.6	13%	0.134	24%	0.238	C	C	.	.			trans	-57.5	111	177.8	0	0	0	0	0	110.9	I236 A237 V238 F288	G234-I236 PolarHBondContact O-N 3.31Å; G234-A237 WeakPolarHBondContact O-CA 3.29Å; G234-A237 WeakPolarHBondContact O-CB 3.47Å; G234-A237 PolarHBondContact O-N 3.37Å; G234-V238 WeakPolarHBondContact O-CG2 3.12Å; G234-V238 PolarHBondContact O-N 3.09Å; G234-F288 VanDerWaalsContact N-CD2 3.29Å
235	P	98.1	Very high	98.4	Very high	7 Å²	7	49.4 Å²	49.4	5%	0.045	26%	0.263	C	S	.	.	H	α-helix	trans	-63.2	-40.2	-169.3	-23	32	0	0	0	113.7	Q233 R239 D272 F288	Q233-P235 WeakPolarHBondContact O-CD 3.34Å; Q233-P235 VanDerWaalsContact O-N 3.12Å; P235-R239 VanDerWaalsContact O-CG 3.27Å; P235-R239 WeakPolarHBondContact O-CG 3.26Å; P235-R239 PolarHBondContact O-N 3.23Å; P235-R239 VanDerWaalsContact O-N 3.16Å; P235-D272 WeakPolarHBondContact CD-OD2 3.45Å; P235-F288 HydrophobicContact CG-CB 4.38Å
236	I	98.5	Very high	98.4	Very high	38 Å²	38	47.1 Å²	47.1	20%	0.195	25%	0.254	C	S	.	.	H	α-helix	trans	-65.7	-43.6	175.1	-64.8	172.6	0	0	0	109.6	G234 V238 R239 M240 T270	G234-I236 PolarHBondContact O-N 3.31Å; I236-V238 PolarHBondContact O-N 2.87Å; I236-R239 PolarHBondContact O-N 3.49Å; I236-M240 HydrophobicContact CG2-CG 4.22Å; I236-M240 WeakPolarHBondContact O-CB 3.35Å; I236-M240 VanDerWaalsContact O-CG 3.31Å; I236-M240 WeakPolarHBondContact O-CG 2.87Å; I236-M240 PolarHBondContact O-N 2.98Å; I236-T270 HydrophobicContact CB-CG2 4.33Å; I236-T270 HydrophobicContact CD1-CG2 3.6Å; I236-T270 HydrophobicContact CG2-CG2 4.08Å
237	A	98.8	Very high	98.4	Very high	39 Å²	39	50.5 Å²	50.5	32%	0.322	27%	0.269	S	S	.	.	H	α-helix	trans	-61.5	-42.9	178.7	0	0	0	0	0	112.4	G234 M240 A241 V267	G234-A237 WeakPolarHBondContact O-CA 3.29Å; G234-A237 WeakPolarHBondContact O-CB 3.47Å; G234-A237 PolarHBondContact O-N 3.37Å; A237-M240 PolarHBondContact O-N 3.39Å; A237-A241 VanDerWaalsContact O-CB 3.29Å; A237-A241 WeakPolarHBondContact O-CB 3.48Å; A237-A241 PolarHBondContact O-N 3.15Å; A237-V267 HydrophobicContact CB-CG1 4.12Å; A237-V267 HydrophobicContact CB-CG2 4.15Å
238	V	98.8	Very high	98.4	Very high	35 Å²	35	51.4 Å²	51.4	21%	0.212	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-43.9	176.5	172.4	0	0	0	0	111.4	P126 Q233 G234 I236 A241 K242	P126-V238 HydrophobicContact CG-CG1 3.36Å; Q233-V238 HydrophobicContact CB-CG2 3.67Å; G234-V238 WeakPolarHBondContact O-CG2 3.12Å; G234-V238 PolarHBondContact O-N 3.09Å; I236-V238 PolarHBondContact O-N 2.87Å; V238-A241 PolarHBondContact O-N 3.4Å; V238-K242 PolarHBondContact O-N 3.46Å
239	R	98.7	Very high	98.3	Very high	55 Å²	55	53.2 Å²	53.2	21%	0.208	29%	0.293	C	S	.	.	H	α-helix	trans	-62.8	-43.5	176.8	-67.7	175.1	-179.3	168	5.8	111.8	N74 V76 S124 V125 P235 I236 K242 L243	N74-R239 PolarHBondContact O-NH2 2.97Å; V76-R239 PolarHBondContact O-NH2 3.25Å; S124-R239 WeakPolarHBondContact O-CA 3.42Å; S124-R239 VanDerWaalsContact O-CG 3.31Å; S124-R239 WeakPolarHBondContact O-CG 3.45Å; V125-R239 HydrophobicContact CG1-CG 4.49Å; P235-R239 VanDerWaalsContact O-CG 3.27Å; P235-R239 WeakPolarHBondContact O-CG 3.26Å; P235-R239 PolarHBondContact O-N 3.23Å; P235-R239 VanDerWaalsContact O-N 3.16Å; I236-R239 PolarHBondContact O-N 3.49Å; R239-K242 PolarHBondContact O-N 2.73Å; R239-L243 PolarHBondContact O-N 2.59Å
240	M	98.8	Very high	98.3	Very high	42 Å²	42	53.6 Å²	53.6	21%	0.207	30%	0.295	C	S	.	.	H	α-helix	trans	-68.2	-37.7	177.9	-69.1	-56.2	97.1	0	0	112.1	I236 A237 L243 A244 C263 Q266 V267	I236-M240 HydrophobicContact CG2-CG 4.22Å; I236-M240 WeakPolarHBondContact O-CB 3.35Å; I236-M240 VanDerWaalsContact O-CG 3.31Å; I236-M240 WeakPolarHBondContact O-CG 2.87Å; I236-M240 PolarHBondContact O-N 2.98Å; A237-M240 PolarHBondContact O-N 3.39Å; M240-L243 HydrophobicContact CE-CD2 4.27Å; M240-L243 PolarHBondContact O-N 2.8Å; M240-L243 HydrophobicContact SD-CD2 4.45Å; M240-A244 WeakPolarHBondContact O-CB 3.47Å; M240-A244 PolarHBondContact O-N 2.92Å; M240-C263 HydrophobicContact CB-CB 4.11Å; M240-Q266 HydrophobicContact CG-CB 4.06Å; M240-Q266 HydrophobicContact SD-CB 3.86Å; M240-Q266 HydrophobicContact SD-CG 3.9Å; M240-V267 HydrophobicContact CB-CG2 4.23Å; M240-V267 HydrophobicContact CG-CG2 4.18Å
241	A	98.9	Very high	98.4	Very high	47 Å²	47	55.4 Å²	55.4	39%	0.388	31%	0.307	S	S	.	.	H	α-helix	trans	-62.8	-45.7	174.6	0	0	0	0	0	111.4	A237 V238 L243 A244 I245	A237-A241 VanDerWaalsContact O-CB 3.29Å; A237-A241 WeakPolarHBondContact O-CB 3.48Å; A237-A241 PolarHBondContact O-N 3.15Å; V238-A241 PolarHBondContact O-N 3.4Å; A241-L243 VanDerWaalsContact C-N 3.34Å; A241-L243 PolarHBondContact O-N 3.21Å; A241-A244 PolarHBondContact O-N 3.3Å; A241-I245 WeakPolarHBondContact O-CB 3.25Å; A241-I245 WeakPolarHBondContact O-CD1 3.45Å; A241-I245 VanDerWaalsContact O-CG1 3.26Å; A241-I245 WeakPolarHBondContact O-CG1 3.45Å; A241-I245 PolarHBondContact O-N 2.66Å
242	K	98.8	Very high	98.5	Very high	19 Å²	19	58.5 Å²	58.5	8%	0.083	32%	0.323	C	S	.	.	H	α-helix	trans	-58.3	-46.8	174.3	177.3	170.2	177	168.6	0	111.5	D121 L123 V125 D147 V238 R239 A244 I245 N246	D121-K242 WeakPolarHBondContact O-CE 3.49Å; D121-K242 PolarHBondContact O-NZ 3.39Å; D121-K242 VanDerWaalsContact O-NZ 3.09Å; L123-K242 WeakPolarHBondContact O-CD 3.11Å; L123-K242 WeakPolarHBondContact O-CE 3.36Å; L123-K242 PolarHBondContact O-NZ 3.1Å; V125-K242 PolarHBondContact O-NZ 3.1Å; D147-K242 VanDerWaalsContact CG-NZ 3.33Å; D147-K242 WeakPolarHBondContact OD1-CE 3.44Å; D147-K242 IonicContact OD1-NZ 3.69Å; D147-K242 PolarHBondContact OD1-NZ 3.22Å; D147-K242 IonicContact OD2-NZ 2.74Å; D147-K242 PolarHBondContact OD2-NZ 2.88Å; V238-K242 PolarHBondContact O-N 3.46Å; R239-K242 PolarHBondContact O-N 2.73Å; K242-A244 PolarHBondContact O-N 3.04Å; K242-I245 PolarHBondContact O-N 3.31Å; K242-N246 WeakPolarHBondContact O-CB 3.37Å; K242-N246 PolarHBondContact O-N 3.07Å
243	L	98.8	Very high	98.6	Very high	68 Å²	68	61.4 Å²	61.4	36%	0.356	33%	0.334	S	S	.	.	H	α-helix	trans	-59.1	-48.4	178.7	-172.9	66.1	0	0	0	111.8	R239 M240 A241 I245 N246 Q247	R239-L243 PolarHBondContact O-N 2.59Å; M240-L243 HydrophobicContact CE-CD2 4.27Å; M240-L243 PolarHBondContact O-N 2.8Å; M240-L243 HydrophobicContact SD-CD2 4.45Å; A241-L243 VanDerWaalsContact C-N 3.34Å; A241-L243 PolarHBondContact O-N 3.21Å; L243-I245 PolarHBondContact O-N 3.21Å; L243-N246 PolarHBondContact O-N 3.31Å; L243-Q247 HydrophobicContact CD1-CG 4.15Å; L243-Q247 WeakPolarHBondContact O-CB 3.37Å; L243-Q247 WeakPolarHBondContact O-CG 3.47Å; L243-Q247 PolarHBondContact O-N 3Å
244	A	98.9	Very high	98.6	Very high	15 Å²	15	61.3 Å²	61.3	12%	0.124	34%	0.344	C	S	.	.	H	α-helix	trans	-61.3	-44.1	179.7	0	0	0	0	0	112.1	M240 A241 K242 G248 C263	M240-A244 WeakPolarHBondContact O-CB 3.47Å; M240-A244 PolarHBondContact O-N 2.92Å; A241-A244 PolarHBondContact O-N 3.3Å; K242-A244 PolarHBondContact O-N 3.04Å; A244-G248 WeakPolarHBondContact O-CA 3.22Å; A244-G248 PolarHBondContact O-N 2.74Å; A244-C263 HydrophobicContact CB-CB 4Å
245	I	98.8	Very high	98.6	Very high	115 Å²	115	63.6 Å²	63.6	59%	0.59	36%	0.355	S	S	*	.	H	α-helix	trans	-64.6	-52.1	178.3	-68.4	165	0	0	0	110.6	A241 K242 L243 Q247 G248 I249	A241-I245 WeakPolarHBondContact O-CB 3.25Å; A241-I245 WeakPolarHBondContact O-CD1 3.45Å; A241-I245 VanDerWaalsContact O-CG1 3.26Å; A241-I245 WeakPolarHBondContact O-CG1 3.45Å; A241-I245 PolarHBondContact O-N 2.66Å; K242-I245 PolarHBondContact O-N 3.31Å; L243-I245 PolarHBondContact O-N 3.21Å; I245-Q247 PolarHBondContact O-N 3.49Å; I245-G248 PolarHBondContact O-N 2.93Å; I245-I249 WeakPolarHBondContact O-CG2 3.47Å; I245-I249 PolarHBondContact O-N 3.32Å; I245-I249 VanDerWaalsContact O-N 3.15Å
246	N	98.7	Very high	98.7	Very high	54 Å²	54	63.9 Å²	63.9	29%	0.289	36%	0.359	S	S	.	.	H	α-helix	trans	-66.6	-37.9	-173.6	-75.4	10.8	0	0	0	112.3	K242 L243	K242-N246 WeakPolarHBondContact O-CB 3.37Å; K242-N246 PolarHBondContact O-N 3.07Å; L243-N246 PolarHBondContact O-N 3.31Å
247	Q	98.7	Very high	98.7	Very high	97 Å²	97	66.4 Å²	66.4	45%	0.453	37%	0.372	S	S	.	.	H	α-helix	trans	-80.2	-41.2	176.9	-64.9	-172.4	-3	0	0	112	L243 I245 I249 E250 I259	L243-Q247 HydrophobicContact CD1-CG 4.15Å; L243-Q247 WeakPolarHBondContact O-CB 3.37Å; L243-Q247 WeakPolarHBondContact O-CG 3.47Å; L243-Q247 PolarHBondContact O-N 3Å; I245-Q247 PolarHBondContact O-N 3.49Å; Q247-I249 VanDerWaalsContact C-N 3.32Å; Q247-I249 PolarHBondContact O-N 3.41Å; Q247-E250 PolarHBondContact O-N 3.47Å; Q247-I259 HydrophobicContact CB-CD1 4.05Å; Q247-I259 HydrophobicContact CB-CG2 4.19Å
248	G	98.8	Very high	98.7	Very high	18 Å²	18	67.4 Å²	67.4	19%	0.186	38%	0.38	C	S	.	.	H	α-helix	trans	-64	-34.1	-175.5	0	0	0	0	0	113.7	A244 I245 E250 V251	A244-G248 WeakPolarHBondContact O-CA 3.22Å; A244-G248 PolarHBondContact O-N 2.74Å; I245-G248 PolarHBondContact O-N 2.93Å; G248-E250 VanDerWaalsContact C-N 3.26Å; G248-E250 PolarHBondContact O-N 3.05Å; G248-V251 WeakPolarHBondContact O-CG2 3.29Å; G248-V251 PolarHBondContact O-N 3.44Å
249	I	97.9	Very high	98.7	Very high	131 Å²	131	67.1 Å²	67.1	67%	0.672	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-17.9	179.7	-161.1	62.8	0	0	0	113.6	I245 Q247	I245-I249 WeakPolarHBondContact O-CG2 3.47Å; I245-I249 PolarHBondContact O-N 3.32Å; I245-I249 VanDerWaalsContact O-N 3.15Å; Q247-I249 VanDerWaalsContact C-N 3.32Å; Q247-I249 PolarHBondContact O-N 3.41Å
250	E	98.2	Very high	98.7	Very high	111 Å²	111	70.1 Å²	70.1	52%	0.519	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	6	-179.6	-62.4	-66.6	141	0	0	112.9	R178 Q247 G248	R178-E250 IonicContact CZ-OE1 2.87Å; R178-E250 IonicContact CZ-OE2 3.6Å; R178-E250 IonicContact NE-OE1 3.85Å; R178-E250 PolarHBondContact NE-OE1 3.39Å; R178-E250 IonicContact NE-OE2 3.95Å; R178-E250 IonicContact NH2-OE1 3.93Å; R178-E250 IonicContact NH2-OE2 3.87Å; R178-E250 PolarHBondContact NH2-OE2 3.12Å; Q247-E250 PolarHBondContact O-N 3.47Å; G248-E250 VanDerWaalsContact C-N 3.26Å; G248-E250 PolarHBondContact O-N 3.05Å
251	V	98.7	Very high	98.7	Very high	65 Å²	65	75.5 Å²	75.5	39%	0.394	42%	0.418	S	S	.	.	S	Bend	trans	-128.9	174.9	178.9	-63.1	0	0	0	0	111.4	G248 T255 I259	G248-V251 WeakPolarHBondContact O-CG2 3.29Å; G248-V251 PolarHBondContact O-N 3.44Å; V251-T255 HydrophobicContact CB-CG2 4.01Å; V251-T255 HydrophobicContact CG1-CG2 4.23Å; V251-T255 HydrophobicContact CG2-CG2 3.89Å; V251-I259 HydrophobicContact CG2-CD1 3.97Å
252	D	98.6	Very high	98.7	Very high	91 Å²	91	76 Å²	76	49%	0.487	42%	0.423	S	S	.	.			trans	-67.7	157.6	170.5	74.2	92.4	0	0	0	111.2	S254 T255 G256	D252-S254 VanDerWaalsContact C-N 3.29Å; D252-S254 PolarHBondContact O-N 3.14Å; D252-S254 WeakPolarHBondContact OD1-CA 3.44Å; D252-S254 VanDerWaalsContact OD1-CB 3.26Å; D252-S254 WeakPolarHBondContact OD1-CB 3.19Å; D252-S254 PolarHBondContact OD1-N 3.03Å; D252-T255 PolarHBondContact O-N 3.44Å; D252-T255 PolarHBondContact OD1-N 3.43Å; D252-T255 VanDerWaalsContact OD1-N 3.1Å; D252-T255 VanDerWaalsContact OD2-CB 3.29Å; D252-T255 WeakPolarHBondContact OD2-CB 3.32Å; D252-T255 PolarHBondContact OD2-OG1 2.94Å; D252-G256 PolarHBondContact O-N 3.06Å
253	L	98.7	Very high	98.7	Very high	138 Å²	138	75.6 Å²	75.6	72%	0.723	42%	0.422	S	S	*	.	H	α-helix	trans	-57.9	-37.9	-175.1	-179.9	61.7	0	0	0	113.3	G256 L257	L253-G256 PolarHBondContact O-N 3.07Å; L253-L257 HydrophobicContact CD1-CD1 4.47Å; L253-L257 HydrophobicContact CD1-CG 4.21Å; L253-L257 HydrophobicContact CG-CD1 4.27Å; L253-L257 HydrophobicContact CG-CG 4.44Å; L253-L257 WeakPolarHBondContact O-CG 3.45Å; L253-L257 PolarHBondContact O-N 2.73Å
254	S	98.8	Very high	98.7	Very high	90 Å²	90	79.8 Å²	79.8	63%	0.629	43%	0.434	S	S	*	.	H	α-helix	trans	-66.3	-43.4	-178.8	-170.7	0	0	0	0	110.8	D252 G256 L257 A258	D252-S254 VanDerWaalsContact C-N 3.29Å; D252-S254 PolarHBondContact O-N 3.14Å; D252-S254 WeakPolarHBondContact OD1-CA 3.44Å; D252-S254 VanDerWaalsContact OD1-CB 3.26Å; D252-S254 WeakPolarHBondContact OD1-CB 3.19Å; D252-S254 PolarHBondContact OD1-N 3.03Å; S254-G256 VanDerWaalsContact C-N 3.34Å; S254-L257 PolarHBondContact O-N 3.24Å; S254-A258 PolarHBondContact O-N 3.29Å
255	T	98.8	Very high	98.7	Very high	61 Å²	61	81.4 Å²	81.4	37%	0.374	45%	0.448	S	S	.	.	H	α-helix	trans	-64.6	-40.9	173.8	-57.5	0	0	0	0	111	V251 D252 L257 A258 I259	V251-T255 HydrophobicContact CB-CG2 4.01Å; V251-T255 HydrophobicContact CG1-CG2 4.23Å; V251-T255 HydrophobicContact CG2-CG2 3.89Å; D252-T255 PolarHBondContact O-N 3.44Å; D252-T255 PolarHBondContact OD1-N 3.43Å; D252-T255 VanDerWaalsContact OD1-N 3.1Å; D252-T255 VanDerWaalsContact OD2-CB 3.29Å; D252-T255 WeakPolarHBondContact OD2-CB 3.32Å; D252-T255 PolarHBondContact OD2-OG1 2.94Å; T255-L257 PolarHBondContact O-N 3.12Å; T255-A258 WeakPolarHBondContact O-CB 3.49Å; T255-A258 PolarHBondContact O-N 3.02Å; T255-I259 HydrophobicContact CG2-CD1 4.27Å; T255-I259 WeakPolarHBondContact O-CG1 3.24Å; T255-I259 PolarHBondContact O-N 3.48Å
256	G	98.8	Very high	98.7	Very high	12 Å²	12	81.7 Å²	81.7	12%	0.124	45%	0.446	C	S	.	.	H	α-helix	trans	-59	-42.6	176.3	0	0	0	0	0	113.4	D252 L253 S254 A258 I259 E260	D252-G256 PolarHBondContact O-N 3.06Å; L253-G256 PolarHBondContact O-N 3.07Å; S254-G256 VanDerWaalsContact C-N 3.34Å; G256-A258 VanDerWaalsContact C-N 3.34Å; G256-A258 PolarHBondContact O-N 2.83Å; G256-I259 WeakPolarHBondContact O-CB 3.42Å; G256-I259 PolarHBondContact O-N 3.3Å; G256-E260 PolarHBondContact O-N 2.79Å
257	L	98.8	Very high	98.7	Very high	92 Å²	92	80.3 Å²	80.3	48%	0.482	44%	0.44	S	S	.	.	H	α-helix	trans	-65.6	-35.4	175.9	-69.4	173	0	0	0	112.4	L253 S254 T255 I259 E260 E261	L253-L257 HydrophobicContact CD1-CD1 4.47Å; L253-L257 HydrophobicContact CD1-CG 4.21Å; L253-L257 HydrophobicContact CG-CD1 4.27Å; L253-L257 HydrophobicContact CG-CG 4.44Å; L253-L257 WeakPolarHBondContact O-CG 3.45Å; L253-L257 PolarHBondContact O-N 2.73Å; S254-L257 PolarHBondContact O-N 3.24Å; T255-L257 PolarHBondContact O-N 3.12Å; L257-I259 VanDerWaalsContact C-N 3.35Å; L257-E260 WeakPolarHBondContact O-CB 3.45Å; L257-E260 PolarHBondContact O-N 3.31Å; L257-E261 PolarHBondContact O-N 3.03Å
258	A	98.8	Very high	98.7	Very high	59 Å²	59	79.6 Å²	79.6	49%	0.488	44%	0.438	S	S	.	.	H	α-helix	trans	-66.6	-37.5	173.7	0	0	0	0	0	112	S254 T255 G256 E261 A262	S254-A258 PolarHBondContact O-N 3.29Å; T255-A258 WeakPolarHBondContact O-CB 3.49Å; T255-A258 PolarHBondContact O-N 3.02Å; G256-A258 VanDerWaalsContact C-N 3.34Å; G256-A258 PolarHBondContact O-N 2.83Å; A258-E261 PolarHBondContact O-N 2.88Å; A258-A262 WeakPolarHBondContact O-CB 3.49Å; A258-A262 PolarHBondContact O-N 3.39Å
259	I	98.8	Very high	98.6	Very high	29 Å²	29	83.6 Å²	83.6	15%	0.149	46%	0.461	C	S	.	.	H	α-helix	trans	-64.2	-42.9	172.9	-66.2	165.8	0	0	0	110.5	Q247 V251 T255 G256 L257 A262 C263	Q247-I259 HydrophobicContact CB-CD1 4.05Å; Q247-I259 HydrophobicContact CB-CG2 4.19Å; V251-I259 HydrophobicContact CG2-CD1 3.97Å; T255-I259 HydrophobicContact CG2-CD1 4.27Å; T255-I259 WeakPolarHBondContact O-CG1 3.24Å; T255-I259 PolarHBondContact O-N 3.48Å; G256-I259 WeakPolarHBondContact O-CB 3.42Å; G256-I259 PolarHBondContact O-N 3.3Å; L257-I259 VanDerWaalsContact C-N 3.35Å; I259-A262 PolarHBondContact O-N 3.48Å; I259-C263 WeakPolarHBondContact O-CB 3.43Å; I259-C263 PolarHBondContact O-N 3.14Å; I259-C263 PolarHBondContact O-SG 2.83Å
260	E	98.9	Very high	98.7	Very high	119 Å²	119	77.7 Å²	77.7	56%	0.556	43%	0.431	S	S	*	.	H	α-helix	trans	-58.4	-48.6	175.9	-176.9	178.8	104.6	0	0	111.3	G256 L257 A262 C263 Y264	G256-E260 PolarHBondContact O-N 2.79Å; L257-E260 WeakPolarHBondContact O-CB 3.45Å; L257-E260 PolarHBondContact O-N 3.31Å; E260-A262 VanDerWaalsContact C-N 3.35Å; E260-A262 PolarHBondContact O-N 3.47Å; E260-C263 PolarHBondContact O-N 2.88Å; E260-Y264 WeakPolarHBondContact O-CB 3.3Å; E260-Y264 PolarHBondContact O-N 3.33Å
261	E	98.9	Very high	98.7	Very high	155 Å²	155	78 Å²	78	72%	0.724	43%	0.431	S	S	*	.	H	α-helix	trans	-57.6	-46.9	176.8	-174.4	-178.7	120.3	0	0	111.5	L257 A258 C263 Y264 A265	L257-E261 PolarHBondContact O-N 3.03Å; A258-E261 PolarHBondContact O-N 2.88Å; E261-C263 PolarHBondContact O-N 3.25Å; E261-Y264 PolarHBondContact O-N 2.9Å; E261-A265 WeakPolarHBondContact O-CB 3.31Å; E261-A265 PolarHBondContact O-N 3.31Å
262	A	98.8	Very high	98.7	Very high	58 Å²	58	75.4 Å²	75.4	48%	0.479	42%	0.415	S	S	.	.	H	α-helix	trans	-62.6	-41.2	178.6	0	0	0	0	0	112.4	A258 I259 E260	A258-A262 WeakPolarHBondContact O-CB 3.49Å; A258-A262 PolarHBondContact O-N 3.39Å; I259-A262 PolarHBondContact O-N 3.48Å; E260-A262 VanDerWaalsContact C-N 3.35Å; E260-A262 PolarHBondContact O-N 3.47Å
263	C	98.8	Very high	98.7	Very high	10 Å²	10	75.6 Å²	75.6	7%	0.068	41%	0.409	C	S	.	.	H	α-helix	trans	-66.6	-41.6	175.7	-71.1	0	0	0	0	111.7	M240 A244 I259 E260 E261 A265 Q266	M240-C263 HydrophobicContact CB-CB 4.11Å; A244-C263 HydrophobicContact CB-CB 4Å; I259-C263 WeakPolarHBondContact O-CB 3.43Å; I259-C263 PolarHBondContact O-N 3.14Å; I259-C263 PolarHBondContact O-SG 2.83Å; E260-C263 PolarHBondContact O-N 2.88Å; E261-C263 PolarHBondContact O-N 3.25Å; C263-A265 VanDerWaalsContact C-N 3.35Å; C263-Q266 WeakPolarHBondContact O-CB 3.31Å; C263-Q266 PolarHBondContact O-N 3.01Å
264	Y	98.8	Very high	98.7	Very high	155 Å²	155	73.9 Å²	73.9	61%	0.608	40%	0.4	S	S	*	.	H	α-helix	trans	-64.7	-39.6	177.7	-168.8	-88.4	0	0	0	111.6	E260 E261 Q266 V267 I268	E260-Y264 WeakPolarHBondContact O-CB 3.3Å; E260-Y264 PolarHBondContact O-N 3.33Å; E261-Y264 PolarHBondContact O-N 2.9Å; Y264-Q266 PolarHBondContact O-N 3.26Å; Y264-V267 WeakPolarHBondContact O-CB 3.43Å; Y264-V267 PolarHBondContact O-N 3.3Å; Y264-I268 HydrophobicContact CD1-CD1 4.01Å; Y264-I268 HydrophobicContact CD1-CG1 4.02Å; Y264-I268 HydrophobicContact CE1-CD1 4.09Å; Y264-I268 HydrophobicContact CE1-CG1 3.93Å; Y264-I268 PolarHBondContact O-N 3.15Å
265	A	98.7	Very high	98.7	Very high	50 Å²	50	71.4 Å²	71.4	41%	0.413	38%	0.378	S	S	.	.	H	α-helix	trans	-56.4	-33	177.1	0	0	0	0	0	112.8	E261 C263 V267 I268 P269	E261-A265 WeakPolarHBondContact O-CB 3.31Å; E261-A265 PolarHBondContact O-N 3.31Å; C263-A265 VanDerWaalsContact C-N 3.35Å; A265-V267 VanDerWaalsContact C-N 3.27Å; A265-V267 PolarHBondContact O-N 2.99Å; A265-I268 PolarHBondContact O-N 3.18Å; A265-P269 WeakPolarHBondContact O-CD 3.43Å
266	Q	98.5	Very high	98.6	Very high	120 Å²	120	69.6 Å²	69.6	56%	0.561	37%	0.372	S	S	*	.	H	α-helix	trans	-68	-24	176	-59.8	-65.8	-1.2	0	0	113.5	M240 C263 Y264 T270	M240-Q266 HydrophobicContact CG-CB 4.06Å; M240-Q266 HydrophobicContact SD-CB 3.86Å; M240-Q266 HydrophobicContact SD-CG 3.9Å; C263-Q266 WeakPolarHBondContact O-CB 3.31Å; C263-Q266 PolarHBondContact O-N 3.01Å; Y264-Q266 PolarHBondContact O-N 3.26Å; Q266-T270 WeakPolarHBondContact O-CG2 3.42Å
267	V	98.4	Very high	98.6	Very high	25 Å²	25	74 Å²	74	15%	0.152	39%	0.392	C	S	.	.	H	α-helix	trans	-83.7	-30.3	-180	-176.3	0	0	0	0	111.4	A237 M240 Y264 A265 T270	A237-V267 HydrophobicContact CB-CG1 4.12Å; A237-V267 HydrophobicContact CB-CG2 4.15Å; M240-V267 HydrophobicContact CB-CG2 4.23Å; M240-V267 HydrophobicContact CG-CG2 4.18Å; Y264-V267 WeakPolarHBondContact O-CB 3.43Å; Y264-V267 PolarHBondContact O-N 3.3Å; A265-V267 VanDerWaalsContact C-N 3.27Å; A265-V267 PolarHBondContact O-N 2.99Å; V267-T270 WeakPolarHBondContact O-CB 3.21Å; V267-T270 WeakPolarHBondContact O-CG2 3.5Å; V267-T270 PolarHBondContact O-N 3.04Å; V267-T270 PolarHBondContact O-OG1 3.05Å
268	I	98.6	Very high	98.6	Very high	82 Å²	82	71.1 Å²	71.1	42%	0.421	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-47.6	-177.1	-62.6	175.9	0	0	0	113.7	Y264 A265 T270 R273	Y264-I268 HydrophobicContact CD1-CD1 4.01Å; Y264-I268 HydrophobicContact CD1-CG1 4.02Å; Y264-I268 HydrophobicContact CE1-CD1 4.09Å; Y264-I268 HydrophobicContact CE1-CG1 3.93Å; Y264-I268 PolarHBondContact O-N 3.15Å; A265-I268 PolarHBondContact O-N 3.18Å; I268-T270 VanDerWaalsContact C-N 3.28Å; I268-T270 PolarHBondContact O-N 2.95Å; I268-R273 PolarHBondContact O-NE 3.44Å; I268-R273 PolarHBondContact O-NH2 3.22Å
269	P	98.4	Very high	98.6	Very high	102 Å²	102	68.4 Å²	68.4	66%	0.662	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	1.3	-176.1	33.7	-37.4	0	0	0	114.3	A265	A265-P269 WeakPolarHBondContact O-CD 3.43Å
270	T	98.7	Very high	98.5	Very high	8 Å²	8	75.6 Å²	75.6	5%	0.049	39%	0.389	C	S	.	.			trans	-73.5	146.8	-175.6	64.5	0	0	0	0	112.6	I236 Q266 V267 I268 D272 R273 E291	I236-T270 HydrophobicContact CB-CG2 4.33Å; I236-T270 HydrophobicContact CD1-CG2 3.6Å; I236-T270 HydrophobicContact CG2-CG2 4.08Å; Q266-T270 WeakPolarHBondContact O-CG2 3.42Å; V267-T270 WeakPolarHBondContact O-CB 3.21Å; V267-T270 WeakPolarHBondContact O-CG2 3.5Å; V267-T270 PolarHBondContact O-N 3.04Å; V267-T270 PolarHBondContact O-OG1 3.05Å; I268-T270 VanDerWaalsContact C-N 3.28Å; I268-T270 PolarHBondContact O-N 2.95Å; T270-D272 VanDerWaalsContact C-N 3.26Å; T270-R273 PolarHBondContact O-N 3.1Å; T270-R273 WeakPolarHBondContact OG1-CB 3.38Å; T270-R273 PolarHBondContact OG1-N 3.21Å; T270-E291 WeakPolarHBondContact CB-O 3.17Å
271	K	98.6	Very high	98.5	Very high	118 Å²	118	78.5 Å²	78.5	51%	0.513	40%	0.4	S	S	.	.	H	α-helix	trans	-67	-32.7	170.3	-61.2	178.4	-165.6	167.8	0	111.1	R273 L274 E275 E291	K271-R273 VanDerWaalsContact C-N 3.28Å; K271-R273 PolarHBondContact O-N 3.34Å; K271-L274 WeakPolarHBondContact O-CB 3.35Å; K271-L274 PolarHBondContact O-N 2.89Å; K271-L274 VanDerWaalsContact O-N 3.08Å; K271-E275 PolarHBondContact O-N 2.92Å; K271-E291 WeakPolarHBondContact CA-O 3.08Å; K271-E291 HydrophobicContact CB-CG 4.47Å; K271-E291 WeakPolarHBondContact CB-O 3.37Å; K271-E291 HydrophobicContact CD-CG 4.03Å; K271-E291 WeakPolarHBondContact CD-OE1 3.41Å; K271-E291 PolarHBondContact N-O 2.83Å; K271-E291 PolarHBondContact N-OXT 3.12Å; K271-E291 VanDerWaalsContact N-OXT 3.14Å; K271-E291 IonicContact NZ-OE1 3.59Å; K271-E291 PolarHBondContact NZ-OE1 3.34Å; K271-E291 IonicContact NZ-OE2 3.69Å
272	D	98.5	Very high	98.5	Very high	10 Å²	10	76.7 Å²	76.7	5%	0.053	39%	0.392	C	S	.	.	H	α-helix	trans	-57.6	-39.8	175.7	-77.7	-17.5	0	0	0	112.1	P235 T270 L274 E275 G276 F288 K289 G290 E291	P235-D272 WeakPolarHBondContact CD-OD2 3.45Å; T270-D272 VanDerWaalsContact C-N 3.26Å; D272-L274 VanDerWaalsContact C-N 3.32Å; D272-L274 PolarHBondContact O-N 3.15Å; D272-E275 PolarHBondContact O-N 3.28Å; D272-G276 PolarHBondContact O-N 3.48Å; D272-F288 HydrophobicContact CB-CB 4.43Å; D272-F288 HydrophobicContact CB-CD1 3.63Å; D272-F288 HydrophobicContact CB-CE1 4.3Å; D272-F288 HydrophobicContact CB-CG 4.33Å; D272-F288 WeakPolarHBondContact O-CE1 3.45Å; D272-F288 WeakPolarHBondContact OD1-CA 3.45Å; D272-F288 WeakPolarHBondContact OD1-CB 3.41Å; D272-K289 PolarHBondContact OD1-N 3.29Å; D272-G290 WeakPolarHBondContact OD2-CA 3.44Å; D272-G290 PolarHBondContact OD2-N 3.27Å; D272-E291 PolarHBondContact N-O 3.42Å
273	R	98.6	Very high	98.4	Very high	95 Å²	95	83.5 Å²	83.5	36%	0.358	41%	0.41	S	S	.	.	H	α-helix	trans	-60.2	-43.1	174.9	-171.9	-171.7	66.2	82.1	-0.4	111.7	I268 T270 K271 G276 L277	I268-R273 PolarHBondContact O-NE 3.44Å; I268-R273 PolarHBondContact O-NH2 3.22Å; T270-R273 PolarHBondContact O-N 3.1Å; T270-R273 WeakPolarHBondContact OG1-CB 3.38Å; T270-R273 PolarHBondContact OG1-N 3.21Å; K271-R273 VanDerWaalsContact C-N 3.28Å; K271-R273 PolarHBondContact O-N 3.34Å; R273-G276 PolarHBondContact O-N 3.43Å; R273-L277 WeakPolarHBondContact O-CG 3.37Å; R273-L277 PolarHBondContact O-N 3.27Å
274	L	98.4	Very high	98.4	Very high	101 Å²	101	87.3 Å²	87.3	53%	0.529	42%	0.423	S	S	.	.	H	α-helix	trans	-66.9	-41.3	178.1	-61.2	178.8	0	0	0	111.7	K271 D272 G276 L277 A278	K271-L274 WeakPolarHBondContact O-CB 3.35Å; K271-L274 PolarHBondContact O-N 2.89Å; K271-L274 VanDerWaalsContact O-N 3.08Å; D272-L274 VanDerWaalsContact C-N 3.32Å; D272-L274 PolarHBondContact O-N 3.15Å; L274-G276 VanDerWaalsContact C-N 3.32Å; L274-G276 PolarHBondContact O-N 3.43Å; L274-L277 PolarHBondContact O-N 3.24Å; L274-A278 WeakPolarHBondContact O-CB 3.32Å; L274-A278 PolarHBondContact O-N 3.36Å
275	E	98.6	Very high	98.2	Very high	39 Å²	39	90.7 Å²	90.7	18%	0.182	44%	0.435	C	S	.	.	H	α-helix	trans	-61.3	-39.1	173.9	164.5	57.3	-168.5	0	0	111.9	K271 D272 L277 A278 A279 R284 P286 R287 F288	K271-E275 PolarHBondContact O-N 2.92Å; D272-E275 PolarHBondContact O-N 3.28Å; E275-L277 PolarHBondContact O-N 2.97Å; E275-A278 PolarHBondContact O-N 3Å; E275-A279 WeakPolarHBondContact O-CB 3.45Å; E275-A279 PolarHBondContact O-N 3.43Å; E275-R284 IonicContact OE1-CZ 3.46Å; E275-R284 IonicContact OE1-NH1 2.66Å; E275-R284 PolarHBondContact OE1-NH1 3.38Å; E275-R284 IonicContact OE1-NH2 3.39Å; E275-R284 PolarHBondContact OE1-NH2 3.39Å; E275-R284 IonicContact OE2-CZ 3.68Å; E275-R284 IonicContact OE2-NH1 3.63Å; E275-R284 IonicContact OE2-NH2 2.83Å; E275-R284 PolarHBondContact OE2-NH2 2.89Å; E275-P286 HydrophobicContact CG-CB 4.4Å; E275-P286 WeakPolarHBondContact OE1-CA 3.45Å; E275-R287 PolarHBondContact OE1-N 2.86Å; E275-F288 HydrophobicContact CG-CD1 4.13Å; E275-F288 HydrophobicContact CG-CE1 4.23Å
276	G	98.2	Very high	98.2	Very high	23 Å²	23	90.9 Å²	90.9	24%	0.237	43%	0.432	C	S	.	.	H	α-helix	trans	-59.6	-45.1	174.8	0	0	0	0	0	112.2	D272 R273 L274 F280	D272-G276 PolarHBondContact O-N 3.48Å; R273-G276 PolarHBondContact O-N 3.43Å; L274-G276 VanDerWaalsContact C-N 3.32Å; L274-G276 PolarHBondContact O-N 3.43Å; G276-F280 WeakPolarHBondContact O-CB 3.41Å; G276-F280 PolarHBondContact O-N 2.92Å; G276-F280 VanDerWaalsContact O-N 3.08Å
277	L	98.3	Very high	98.1	Very high	105 Å²	105	94.9 Å²	94.9	55%	0.55	44%	0.442	S	S	.	.	H	α-helix	trans	-65.6	-42.4	176.1	-64.9	175.6	0	0	0	112.1	R273 L274 E275 K281	R273-L277 WeakPolarHBondContact O-CG 3.37Å; R273-L277 PolarHBondContact O-N 3.27Å; L274-L277 PolarHBondContact O-N 3.24Å; E275-L277 PolarHBondContact O-N 2.97Å; L277-K281 PolarHBondContact O-N 3.32Å; L277-K281 VanDerWaalsContact O-N 3.07Å
278	A	98.4	Very high	98.1	Very high	31 Å²	31	96.1 Å²	96.1	26%	0.256	45%	0.445	S	S	.	.	H	α-helix	trans	-64.1	-48.4	177.8	0	0	0	0	0	111.7	L274 E275 F280 K281 E282	L274-A278 WeakPolarHBondContact O-CB 3.32Å; L274-A278 PolarHBondContact O-N 3.36Å; E275-A278 PolarHBondContact O-N 3Å; A278-F280 VanDerWaalsContact C-N 3.3Å; A278-F280 PolarHBondContact O-N 2.99Å; A278-K281 PolarHBondContact O-N 3.06Å; A278-E282 WeakPolarHBondContact O-CB 3.43Å; A278-E282 WeakPolarHBondContact O-CG 3.39Å; A278-E282 PolarHBondContact O-N 3.34Å
279	A	98.3	Very high	97.9	Very high	2 Å²	2	99.2 Å²	99.2	2%	0.017	46%	0.456	C	S	.	.	H	α-helix	trans	-60.6	-39.1	178.8	0	0	0	0	0	112.3	E275 E282 K283 R284 P286	E275-A279 WeakPolarHBondContact O-CB 3.45Å; E275-A279 PolarHBondContact O-N 3.43Å; A279-E282 CarbonylContact O-C 3.5Å; A279-E282 PolarHBondContact O-N 3.28Å; A279-K283 PolarHBondContact O-N 3.23Å; A279-R284 HydrophobicContact CB-CG 4.11Å; A279-R284 PolarHBondContact O-N 3.18Å; A279-P286 HydrophobicContact CB-CB 3.78Å
280	F	97.9	Very high	97.8	Very high	179 Å²	179	95.7 Å²	95.7	79%	0.785	44%	0.438	S	S	*	.	H	α-helix	trans	-62.9	-48.4	174.3	-177.6	-99.7	0	0	0	111.9	G276 A278 E282 K283	G276-F280 WeakPolarHBondContact O-CB 3.41Å; G276-F280 PolarHBondContact O-N 2.92Å; G276-F280 VanDerWaalsContact O-N 3.08Å; A278-F280 VanDerWaalsContact C-N 3.3Å; A278-F280 PolarHBondContact O-N 2.99Å; F280-E282 VanDerWaalsContact C-N 3.27Å; F280-E282 PolarHBondContact O-N 3.04Å; F280-K283 PolarHBondContact O-N 3.31Å
281	K	97.8	Very high	97.7	Very high	181 Å²	181	100 Å²	100	79%	0.787	46%	0.457	S	S	*	.	H	α-helix	trans	-59.2	-38.9	176.5	-176	-178.3	177.7	-176.6	0	112.1	L277 A278	L277-K281 PolarHBondContact O-N 3.32Å; L277-K281 VanDerWaalsContact O-N 3.07Å; A278-K281 PolarHBondContact O-N 3.06Å
282	E	98.2	Very high	97.6	Very high	117 Å²	117	99.1 Å²	99.1	55%	0.547	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-1.7	-178	-68.2	170	-163	0	0	113.8	A278 A279 F280 R284	A278-E282 WeakPolarHBondContact O-CB 3.43Å; A278-E282 WeakPolarHBondContact O-CG 3.39Å; A278-E282 PolarHBondContact O-N 3.34Å; A279-E282 CarbonylContact O-C 3.5Å; A279-E282 PolarHBondContact O-N 3.28Å; F280-E282 VanDerWaalsContact C-N 3.27Å; F280-E282 PolarHBondContact O-N 3.04Å; E282-R284 VanDerWaalsContact C-N 3.26Å; E282-R284 HydrophobicContact CB-CG 4.05Å; E282-R284 PolarHBondContact O-N 2.7Å; E282-R284 IonicContact OE2-CZ 3.48Å; E282-R284 IonicContact OE2-NE 2.67Å; E282-R284 PolarHBondContact OE2-NE 3.17Å; E282-R284 IonicContact OE2-NH2 3.45Å; E282-R284 PolarHBondContact OE2-NH2 3.35Å
283	K	97.6	Very high	97.6	Very high	200 Å²	200	103.7 Å²	103.7	87%	0.87	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	38.8	-177.5	-57.8	-178.5	179.3	179.7	0	113.7	A279 F280	A279-K283 PolarHBondContact O-N 3.23Å; F280-K283 PolarHBondContact O-N 3.31Å
284	R	98.1	Very high	97.5	Very high	90 Å²	90	104.2 Å²	104.2	34%	0.34	48%	0.482	S	S	.	.	S	Bend	trans	-118.2	165.9	175.6	63.6	173.5	178.6	75.7	2.1	111	E275 A279 E282	E275-R284 IonicContact OE1-CZ 3.46Å; E275-R284 IonicContact OE1-NH1 2.66Å; E275-R284 PolarHBondContact OE1-NH1 3.38Å; E275-R284 IonicContact OE1-NH2 3.39Å; E275-R284 PolarHBondContact OE1-NH2 3.39Å; E275-R284 IonicContact OE2-CZ 3.68Å; E275-R284 IonicContact OE2-NH1 3.63Å; E275-R284 IonicContact OE2-NH2 2.83Å; E275-R284 PolarHBondContact OE2-NH2 2.89Å; A279-R284 HydrophobicContact CB-CG 4.11Å; A279-R284 PolarHBondContact O-N 3.18Å; E282-R284 VanDerWaalsContact C-N 3.26Å; E282-R284 HydrophobicContact CB-CG 4.05Å; E282-R284 PolarHBondContact O-N 2.7Å; E282-R284 IonicContact OE2-CZ 3.48Å; E282-R284 IonicContact OE2-NE 2.67Å; E282-R284 PolarHBondContact OE2-NE 3.17Å; E282-R284 IonicContact OE2-NH2 3.45Å; E282-R284 PolarHBondContact OE2-NH2 3.35Å
285	R	95.8	Very high	97.4	Very high	227 Å²	227	104.4 Å²	104.4	86%	0.857	48%	0.479	S	S	*	.			trans	-69.2	136.2	170.8	-67.1	-175.1	178.9	-176.7	-0.9	110
286	P	97.3	Very high	97.4	Very high	53 Å²	53	108.5 Å²	108.5	34%	0.344	50%	0.498	S	S	.	.			trans	-69.5	153.7	175.3	29.6	-34.5	0	0	0	111.2	E275 A279 F288	E275-P286 HydrophobicContact CG-CB 4.4Å; E275-P286 WeakPolarHBondContact OE1-CA 3.45Å; A279-P286 HydrophobicContact CB-CB 3.78Å; P286-F288 HydrophobicContact CB-CD1 4.28Å; P286-F288 HydrophobicContact CB-CD2 4.35Å; P286-F288 HydrophobicContact CB-CE1 3.69Å; P286-F288 HydrophobicContact CB-CE2 3.79Å; P286-F288 HydrophobicContact CB-CZ 3.43Å; P286-F288 VanDerWaalsContact CB-CZ 3.43Å; P286-F288 HydrophobicContact CG-CD2 4.34Å; P286-F288 HydrophobicContact CG-CE1 4.35Å; P286-F288 HydrophobicContact CG-CE2 3.57Å; P286-F288 HydrophobicContact CG-CZ 3.6Å
287	R	96.8	Very high	97.3	Very high	204 Å²	204	114.2 Å²	114.2	77%	0.77	52%	0.515	S	S	*	.			trans	-121.4	79.7	176.9	-64.6	-174.8	-179.2	-166.1	1.1	110.3	E275	E275-R287 PolarHBondContact OE1-N 2.86Å
288	F	97.9	Very high	97.2	Very high	51 Å²	51	114.9 Å²	114.9	22%	0.224	51%	0.513	C	S	.	.			trans	-75.6	141.2	-178.9	-56.3	-51.8	0	0	0	113	P232 Q233 G234 P235 D272 E275 P286	P232-F288 VanDerWaalsContact O-CD2 3.24Å; P232-F288 WeakPolarHBondContact O-CD2 3.26Å; Q233-F288 VanDerWaalsContact C-CD2 3.43Å; G234-F288 VanDerWaalsContact N-CD2 3.29Å; P235-F288 HydrophobicContact CG-CB 4.38Å; D272-F288 HydrophobicContact CB-CB 4.43Å; D272-F288 HydrophobicContact CB-CD1 3.63Å; D272-F288 HydrophobicContact CB-CE1 4.3Å; D272-F288 HydrophobicContact CB-CG 4.33Å; D272-F288 WeakPolarHBondContact O-CE1 3.45Å; D272-F288 WeakPolarHBondContact OD1-CA 3.45Å; D272-F288 WeakPolarHBondContact OD1-CB 3.41Å; E275-F288 HydrophobicContact CG-CD1 4.13Å; E275-F288 HydrophobicContact CG-CE1 4.23Å; P286-F288 HydrophobicContact CB-CD1 4.28Å; P286-F288 HydrophobicContact CB-CD2 4.35Å; P286-F288 HydrophobicContact CB-CE1 3.69Å; P286-F288 HydrophobicContact CB-CE2 3.79Å; P286-F288 HydrophobicContact CB-CZ 3.43Å; P286-F288 VanDerWaalsContact CB-CZ 3.43Å; P286-F288 HydrophobicContact CG-CD2 4.34Å; P286-F288 HydrophobicContact CG-CE1 4.35Å; P286-F288 HydrophobicContact CG-CE2 3.57Å; P286-F288 HydrophobicContact CG-CZ 3.6Å
289	K	96.2	Very high	97.2	Very high	147 Å²	147	121.3 Å²	121.3	64%	0.639	53%	0.533	S	S	*	.			trans	-113.4	-19.3	-178.1	-68.2	-177.9	-175.4	176.8	0	112.7	R77 D272 E291	R77-K289 VanDerWaalsContact NH2-C 3.27Å; R77-K289 PolarHBondContact NH2-O 2.71Å; D272-K289 PolarHBondContact OD1-N 3.29Å; K289-E291 HydrophobicContact CB-CG 3.82Å
290	G	96.3	Very high	97.1	Very high	28 Å²	28	131.3 Å²	131.3	29%	0.289	58%	0.576	S	S	.	*			trans	84.4	41.5	-173.9	0	0	0	0	0	111.9	D272	D272-G290 WeakPolarHBondContact OD2-CA 3.44Å; D272-G290 PolarHBondContact OD2-N 3.27Å
291	E	94.8	Very high	97	Very high	98 Å²	98	126.9 Å²	126.9	46%	0.458	56%	0.557	S	S	.	*			trans	-143.3	0	178.5	54.1	170.8	-138.9	0	0	111.6	T270 K271 D272 K289	T270-E291 WeakPolarHBondContact CB-O 3.17Å; K271-E291 WeakPolarHBondContact CA-O 3.08Å; K271-E291 HydrophobicContact CB-CG 4.47Å; K271-E291 WeakPolarHBondContact CB-O 3.37Å; K271-E291 HydrophobicContact CD-CG 4.03Å; K271-E291 WeakPolarHBondContact CD-OE1 3.41Å; K271-E291 PolarHBondContact N-O 2.83Å; K271-E291 PolarHBondContact N-OXT 3.12Å; K271-E291 VanDerWaalsContact N-OXT 3.14Å; K271-E291 IonicContact NZ-OE1 3.59Å; K271-E291 PolarHBondContact NZ-OE1 3.34Å; K271-E291 IonicContact NZ-OE2 3.69Å; D272-E291 PolarHBondContact N-O 3.42Å; K289-E291 HydrophobicContact CB-CG 3.82Å

Retrieved 291 of 291 residues in 176.6 ms (Link to these results)

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