A0A077ZJI0_TRITR Loading...

DeoC domain containing protein

AlphaFold DB (P32141), UniProt , Accession A0A077ZJI0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 292 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	55.1	Low	90.7	Very high	230 Å²	230	86.1 Å²	86.1	100%	1.133	42%	0.419	S	S	*	.				0	120.1	0	-86.8	171.6	-171.1	0	0	108.6	K3	M1-K3 PolarHBondContact O-N 3.05Å
2	N	71.1	Confident	91.3	Very high	88 Å²	88	88.4 Å²	88.4	47%	0.471	46%	0.463	S	S	.	.			trans	-68.2	98.6	171.9	-81.9	-35.8	0	0	0	108.3	K116 S151 G153	N2-K116 PolarHBondContact OD1-NZ 3.46Å; N2-S151 PolarHBondContact ND2-O 3.44Å; N2-G153 WeakPolarHBondContact O-CA 3.44Å
3	K	88.6	Confident	91.8	Very high	192 Å²	192	83.5 Å²	83.5	84%	0.835	44%	0.44	S	S	*	.			trans	-70.8	133.4	-179.2	-76.2	-174.2	175.8	-177.7	0	110.3	M1	M1-K3 PolarHBondContact O-N 3.05Å
4	Y	96.8	Very high	92.2	Very high	84 Å²	84	79.6 Å²	79.6	33%	0.329	43%	0.431	S	S	.	.			trans	-126.5	162.4	164.6	66.4	-89.8	0	0	0	108.8	H150 G153 V155 D190	Y4-H150 HydrophobicContact CE1-CB 4.09Å; Y4-H150 AromaticContact CE1-CD2 3.62Å; Y4-H150 AromaticContact CE1-CG 4Å; Y4-H150 AromaticContact CZ-CD2 3.41Å; Y4-H150 VanDerWaalsContact CZ-CD2 3.41Å; Y4-H150 AromaticContact CZ-NE2 3.74Å; Y4-H150 PolarHBondContact OH-CD2 2.91Å; Y4-H150 VanDerWaalsContact OH-CD2 3.22Å; Y4-H150 PolarHBondContact OH-NE2 2.83Å; Y4-G153 VanDerWaalsContact CB-C 3.5Å; Y4-G153 WeakPolarHBondContact CB-O 3.32Å; Y4-V155 HydrophobicContact CD2-CG2 3.93Å; Y4-D190 WeakPolarHBondContact CE2-OD1 3.43Å; Y4-D190 PolarHBondContact OH-OD1 2.83Å
5	T	97.2	Very high	92.7	Very high	55 Å²	55	74.3 Å²	74.3	34%	0.337	40%	0.402	S	S	.	.			trans	-146.9	137.3	171.7	179.1	0	0	0	0	109.5	N7 D8	T5-N7 HydrophobicContact CG2-CB 4.4Å; T5-N7 PolarHBondContact O-N 3.35Å; T5-N7 PolarHBondContact OG1-N 3.4Å; T5-D8 HydrophobicContact CG2-CB 4.3Å; T5-D8 VanDerWaalsContact CG2-OD1 3.3Å; T5-D8 WeakPolarHBondContact CG2-OD1 3.45Å; T5-D8 WeakPolarHBondContact O-CB 3.42Å; T5-D8 PolarHBondContact O-N 2.98Å
6	I	96.9	Very high	93.1	Very high	37 Å²	37	70.1 Å²	70.1	19%	0.19	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-63.6	-22.7	176.4	-158.2	172.7	0	0	0	112	D8 I9 F16 V155 D190 L191 P221	I6-D8 PolarHBondContact O-N 2.98Å; I6-I9 HydrophobicContact CG1-CD1 4.34Å; I6-I9 HydrophobicContact CG1-CG1 4.39Å; I6-I9 WeakPolarHBondContact O-CG1 3.29Å; I6-I9 PolarHBondContact O-N 2.76Å; I6-F16 HydrophobicContact CD1-CE1 4.14Å; I6-F16 HydrophobicContact CD1-CZ 3.65Å; I6-F16 HydrophobicContact CG1-CE1 3.85Å; I6-F16 HydrophobicContact CG1-CZ 3.76Å; I6-V155 HydrophobicContact CG1-CG1 4.41Å; I6-D190 HydrophobicContact CD1-CB 4.44Å; I6-D190 WeakPolarHBondContact CD1-O 3.39Å; I6-L191 HydrophobicContact CD1-CB 4.47Å; I6-L191 HydrophobicContact CD1-CD1 4.23Å; I6-P221 HydrophobicContact CD1-CB 4.13Å; I6-P221 HydrophobicContact CD1-CG 3.94Å
7	N	97.3	Very high	93.4	Very high	106 Å²	106	65.9 Å²	65.9	57%	0.567	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-64.2	-23.4	179.4	-65.7	-13.3	0	0	0	112.7	T5 I9 T10	T5-N7 HydrophobicContact CG2-CB 4.4Å; T5-N7 PolarHBondContact O-N 3.35Å; T5-N7 PolarHBondContact OG1-N 3.4Å; N7-I9 PolarHBondContact O-N 3.12Å; N7-I9 VanDerWaalsContact O-N 3.15Å; N7-T10 WeakPolarHBondContact CA-OG1 3.49Å; N7-T10 PolarHBondContact O-N 2.63Å; N7-T10 VanDerWaalsContact O-N 3.14Å; N7-T10 PolarHBondContact O-OG1 2.78Å
8	D	98.1	Very high	93.7	Very high	68 Å²	68	62.3 Å²	62.3	36%	0.364	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-62.8	-20	178.7	-82.6	3.2	0	0	0	112.7	T5 I6 A85 K121	T5-D8 HydrophobicContact CG2-CB 4.3Å; T5-D8 VanDerWaalsContact CG2-OD1 3.3Å; T5-D8 WeakPolarHBondContact CG2-OD1 3.45Å; T5-D8 WeakPolarHBondContact O-CB 3.42Å; T5-D8 PolarHBondContact O-N 2.98Å; I6-D8 PolarHBondContact O-N 2.98Å; D8-A85 VanDerWaalsContact O-CB 3.25Å; D8-A85 WeakPolarHBondContact O-CB 3.15Å; D8-K121 HydrophobicContact CB-CB 4.41Å; D8-K121 HydrophobicContact CB-CD 4.28Å; D8-K121 HydrophobicContact CB-CG 4.25Å; D8-K121 WeakPolarHBondContact OD2-CD 3.12Å; D8-K121 WeakPolarHBondContact OD2-CE 3.44Å; D8-K121 IonicContact OD2-NZ 2.74Å; D8-K121 PolarHBondContact OD2-NZ 3.47Å
9	I	98.8	Very high	94	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-110.6	10.5	179.7	59.2	164.3	0	0	0	113	I6 N7 F16 M18 S61 A62 A85 I87 K121 A122 V155 I157 L191	I6-I9 HydrophobicContact CG1-CD1 4.34Å; I6-I9 HydrophobicContact CG1-CG1 4.39Å; I6-I9 WeakPolarHBondContact O-CG1 3.29Å; I6-I9 PolarHBondContact O-N 2.76Å; N7-I9 PolarHBondContact O-N 3.12Å; N7-I9 VanDerWaalsContact O-N 3.15Å; I9-F16 HydrophobicContact CD1-CD1 4.21Å; I9-F16 HydrophobicContact CD1-CE1 3.86Å; I9-F16 HydrophobicContact CG1-CD1 4.22Å; I9-F16 HydrophobicContact CG1-CE1 3.85Å; I9-M18 HydrophobicContact CB-SD 4.4Å; I9-M18 HydrophobicContact CD1-SD 4.13Å; I9-S61 VanDerWaalsContact O-CB 3.25Å; I9-S61 WeakPolarHBondContact O-CB 3.49Å; I9-S61 PolarHBondContact O-OG 3.21Å; I9-A62 HydrophobicContact CB-CB 3.82Å; I9-A62 HydrophobicContact CG2-CB 3.92Å; I9-A85 HydrophobicContact CG2-CB 3.88Å; I9-I87 HydrophobicContact CG2-CG1 4.49Å; I9-K121 HydrophobicContact CG2-CB 4.06Å; I9-A122 HydrophobicContact CG2-CB 4.5Å; I9-V155 HydrophobicContact CD1-CG1 4.09Å; I9-I157 HydrophobicContact CD1-CD1 4.11Å; I9-L191 HydrophobicContact CD1-CD2 4.21Å
10	T	98.8	Very high	94.2	Very high	24 Å²	24	56.1 Å²	56.1	15%	0.147	30%	0.303	C	S	.	.	S	Bend	trans	-104.7	159.4	179	62.1	0	0	0	0	112.4	N7 G14 G15 F16 S61	N7-T10 WeakPolarHBondContact CA-OG1 3.49Å; N7-T10 PolarHBondContact O-N 2.63Å; N7-T10 VanDerWaalsContact O-N 3.14Å; N7-T10 PolarHBondContact O-OG1 2.78Å; T10-G14 WeakPolarHBondContact CG2-O 3.49Å; T10-G15 WeakPolarHBondContact CA-O 3.39Å; T10-F16 HydrophobicContact CG2-CD1 3.71Å; T10-F16 HydrophobicContact CG2-CD2 4.36Å; T10-F16 HydrophobicContact CG2-CE1 3.36Å; T10-F16 HydrophobicContact CG2-CE2 4.05Å; T10-F16 HydrophobicContact CG2-CG 4.2Å; T10-F16 HydrophobicContact CG2-CZ 3.53Å; T10-S61 VanDerWaalsContact C-CB 3.41Å
11	R	98.7	Very high	94.4	Very high	63 Å²	63	53.4 Å²	53.4	24%	0.238	29%	0.289	C	S	.	.			trans	-70.3	167.4	165.3	-59.8	178.9	68.9	86.4	-9.5	109.8	S13 G14 G15 A17 Y59 D285	R11-S13 PolarHBondContact O-N 3.22Å; R11-G14 PolarHBondContact O-N 2.79Å; R11-G15 PolarHBondContact N-O 3.45Å; R11-A17 HydrophobicContact CG-CB 4.12Å; R11-Y59 PolarHBondContact NH1-O 3.06Å; R11-D285 WeakPolarHBondContact CD-OD1 3.47Å; R11-D285 IonicContact CZ-OD2 3.8Å; R11-D285 IonicContact NE-OD1 2.88Å; R11-D285 PolarHBondContact NE-OD1 3.1Å; R11-D285 IonicContact NE-OD2 3.49Å; R11-D285 PolarHBondContact NE-OD2 3.02Å; R11-D285 IonicContact NH2-OD2 3.84Å; R11-D285 PolarHBondContact NH2-OD2 3.01Å
12	A	97.7	Very high	96.5	Very high	114 Å²	114	42.7 Å²	42.7	94%	0.942	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-23.3	174.3	0	0	0	0	0	113.7	G14	A12-G14 PolarHBondContact O-N 3.34Å
13	S	97.9	Very high	97.8	Very high	24 Å²	24	40 Å²	40	17%	0.168	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-14.1	173.4	61.9	0	0	0	0	114.1	R11 G15 D285	R11-S13 PolarHBondContact O-N 3.22Å; S13-G15 VanDerWaalsContact C-N 3.33Å; S13-G15 PolarHBondContact OG-N 3.01Å; S13-D285 WeakPolarHBondContact CB-OD1 3.32Å; S13-D285 PolarHBondContact OG-OD1 2.97Å
14	G	98.2	Very high	98.2	Very high	30 Å²	30	31.8 Å²	31.8	31%	0.309	18%	0.184	S	C	.	.	S	Bend	trans	86.6	-2.9	-170	0	0	0	0	0	114	T10 R11 A12	T10-G14 WeakPolarHBondContact CG2-O 3.49Å; R11-G14 PolarHBondContact O-N 2.79Å; A12-G14 PolarHBondContact O-N 3.34Å
15	G	98.7	Very high	98.2	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.183	C	C	.	.			trans	-86.8	156	178.5	0	0	0	0	0	113.4	T10 R11 S13 S247	T10-G15 WeakPolarHBondContact CA-O 3.39Å; R11-G15 PolarHBondContact N-O 3.45Å; S13-G15 VanDerWaalsContact C-N 3.33Å; S13-G15 PolarHBondContact OG-N 3.01Å; G15-S247 WeakPolarHBondContact CA-O 3.3Å
16	F	98.9	Very high	98.1	Very high	6 Å²	6	29.2 Å²	29.2	3%	0.026	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	117.6	179.7	-58.3	-91.6	0	0	0	111	I6 I9 T10 M18 L191 P221 V223 S247 G248 F249	I6-F16 HydrophobicContact CD1-CE1 4.14Å; I6-F16 HydrophobicContact CD1-CZ 3.65Å; I6-F16 HydrophobicContact CG1-CE1 3.85Å; I6-F16 HydrophobicContact CG1-CZ 3.76Å; I9-F16 HydrophobicContact CD1-CD1 4.21Å; I9-F16 HydrophobicContact CD1-CE1 3.86Å; I9-F16 HydrophobicContact CG1-CD1 4.22Å; I9-F16 HydrophobicContact CG1-CE1 3.85Å; T10-F16 HydrophobicContact CG2-CD1 3.71Å; T10-F16 HydrophobicContact CG2-CD2 4.36Å; T10-F16 HydrophobicContact CG2-CE1 3.36Å; T10-F16 HydrophobicContact CG2-CE2 4.05Å; T10-F16 HydrophobicContact CG2-CG 4.2Å; T10-F16 HydrophobicContact CG2-CZ 3.53Å; F16-M18 HydrophobicContact CB-CE 3.77Å; F16-M18 HydrophobicContact CB-CG 4.3Å; F16-M18 HydrophobicContact CB-SD 4.43Å; F16-M18 HydrophobicContact CD1-CE 3.82Å; F16-M18 HydrophobicContact CD1-SD 4.01Å; F16-M18 HydrophobicContact CG-CE 4.1Å; F16-L191 HydrophobicContact CD1-CD1 4.3Å; F16-L191 HydrophobicContact CD1-CD2 4.3Å; F16-L191 HydrophobicContact CD2-CD1 4.33Å; F16-L191 HydrophobicContact CE1-CD1 3.87Å; F16-L191 HydrophobicContact CE1-CD2 4.28Å; F16-L191 HydrophobicContact CE2-CD1 3.95Å; F16-L191 HydrophobicContact CZ-CD1 3.7Å; F16-P221 HydrophobicContact CE2-CB 4.08Å; F16-P221 HydrophobicContact CZ-CB 4.29Å; F16-V223 HydrophobicContact CB-CG1 3.65Å; F16-V223 HydrophobicContact CD2-CG1 3.87Å; F16-V223 HydrophobicContact CG-CG1 3.84Å; F16-S247 WeakPolarHBondContact CD2-O 3.5Å; F16-S247 PolarHBondContact N-O 3.25Å; F16-G248 CarbonylContact O-C 3.25Å; F16-G248 WeakPolarHBondContact O-CA 3.46Å; F16-F249 PolarHBondContact O-N 3.15Å
17	A	98.9	Very high	98.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	80.4	171.8	0	0	0	0	0	108.5	R11 A60 S61 F249 V284	R11-A17 HydrophobicContact CG-CB 4.12Å; A17-A60 CarbonylContact O-C 3.59Å; A17-A60 WeakPolarHBondContact O-CA 3.49Å; A17-A60 WeakPolarHBondContact O-CB 3.27Å; A17-S61 PolarHBondContact N-OG 3.15Å; A17-S61 PolarHBondContact O-N 3.4Å; A17-S61 PolarHBondContact O-OG 3.08Å; A17-F249 HydrophobicContact CB-CE1 3.65Å; A17-F249 HydrophobicContact CB-CZ 3.64Å; A17-V284 HydrophobicContact CB-CG2 4.48Å
18	M	98.9	Very high	98.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	145.5	-166.8	-54	179.8	-75.1	0	0	112.2	I9 F16 A62 I87 L191 V223 F249 L250 A251	I9-M18 HydrophobicContact CB-SD 4.4Å; I9-M18 HydrophobicContact CD1-SD 4.13Å; F16-M18 HydrophobicContact CB-CE 3.77Å; F16-M18 HydrophobicContact CB-CG 4.3Å; F16-M18 HydrophobicContact CB-SD 4.43Å; F16-M18 HydrophobicContact CD1-CE 3.82Å; F16-M18 HydrophobicContact CD1-SD 4.01Å; F16-M18 HydrophobicContact CG-CE 4.1Å; M18-A62 CarbonylContact C-O 3.53Å; M18-A62 VanDerWaalsContact CA-O 3.22Å; M18-A62 WeakPolarHBondContact CA-O 3.48Å; M18-A62 HydrophobicContact CB-CB 4.47Å; M18-A62 WeakPolarHBondContact CB-O 3.41Å; M18-A62 HydrophobicContact CG-CB 3.93Å; M18-A62 HydrophobicContact SD-CB 4.05Å; M18-I87 HydrophobicContact SD-CD1 3.82Å; M18-L191 HydrophobicContact CE-CD2 3.53Å; M18-L191 HydrophobicContact SD-CD2 4.48Å; M18-V223 HydrophobicContact CE-CG1 4.19Å; M18-V223 HydrophobicContact CE-CG2 4.09Å; M18-F249 PolarHBondContact N-O 3.17Å; M18-F249 WeakPolarHBondContact O-CD2 3.36Å; M18-F249 VanDerWaalsContact O-CE2 3.26Å; M18-F249 WeakPolarHBondContact O-CE2 3.44Å; M18-L250 HydrophobicContact CB-CB 4.22Å; M18-L250 HydrophobicContact CB-CD1 3.51Å; M18-L250 HydrophobicContact CB-CG 4.37Å; M18-L250 HydrophobicContact CE-CB 3.82Å; M18-L250 HydrophobicContact CE-CD2 4.36Å; M18-L250 HydrophobicContact CE-CG 4.5Å; M18-L250 WeakPolarHBondContact O-CA 3.45Å; M18-A251 PolarHBondContact O-N 2.92Å
19	L	98.9	Very high	98.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	134.6	-179	176.7	64.4	0	0	0	110.4	V21 L56 A60 A62 I63 L64 A251 V255 L277	L19-V21 HydrophobicContact CD1-CG1 4.47Å; L19-V21 HydrophobicContact CD2-CG1 4.33Å; L19-V21 HydrophobicContact CG-CG1 4.17Å; L19-L56 HydrophobicContact CD1-CD1 4.28Å; L19-L56 HydrophobicContact CD2-CB 3.49Å; L19-L56 VanDerWaalsContact CD2-CB 3.49Å; L19-L56 HydrophobicContact CD2-CD1 4.1Å; L19-L56 HydrophobicContact CD2-CG 4.43Å; L19-A60 HydrophobicContact CB-CB 3.96Å; L19-A62 PolarHBondContact N-O 2.96Å; L19-I63 HydrophobicContact CB-CB 4.46Å; L19-I63 HydrophobicContact CB-CG1 4.16Å; L19-I63 HydrophobicContact CD2-CD1 3.78Å; L19-I63 HydrophobicContact CD2-CG1 4.06Å; L19-I63 HydrophobicContact CG-CD1 4.36Å; L19-I63 HydrophobicContact CG-CG1 4.13Å; L19-I63 CarbonylContact O-C 3.56Å; L19-I63 VanDerWaalsContact O-CA 3.27Å; L19-I63 WeakPolarHBondContact O-CA 3.47Å; L19-L64 PolarHBondContact O-N 2.82Å; L19-A251 CarbonylContact C-O 3.47Å; L19-A251 WeakPolarHBondContact CA-O 3.46Å; L19-V255 HydrophobicContact CD1-CB 4.47Å; L19-V255 HydrophobicContact CD1-CG1 4.28Å; L19-L277 HydrophobicContact CB-CD2 4.46Å; L19-L277 HydrophobicContact CD1-CD2 4.44Å; L19-L277 HydrophobicContact CD2-CD2 4.41Å
20	A	98.9	Very high	98	Very high	1 Å²	1	28 Å²	28	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125.5	172.8	0	0	0	0	0	110.9	L64 L250 A251 G252 W256	A20-L64 HydrophobicContact CB-CB 4.45Å; A20-L64 HydrophobicContact CB-CD2 4.33Å; A20-L250 HydrophobicContact CB-CD1 3.92Å; A20-L250 HydrophobicContact CB-CG 4.37Å; A20-A251 PolarHBondContact N-O 3.39Å; A20-G252 WeakPolarHBondContact O-CA 3.49Å; A20-W256 PolarHBondContact O-NE1 3.22Å
21	V	98.6	Very high	97.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.157	C	C	.	.			trans	-130.1	15.3	173.3	-62.3	0	0	0	0	112.1	L19 Q23 K49 A52 I63 L64 V65	L19-V21 HydrophobicContact CD1-CG1 4.47Å; L19-V21 HydrophobicContact CD2-CG1 4.33Å; L19-V21 HydrophobicContact CG-CG1 4.17Å; V21-Q23 PolarHBondContact O-N 3.25Å; V21-K49 PolarHBondContact O-NZ 3.32Å; V21-A52 HydrophobicContact CG1-CB 4.09Å; V21-I63 HydrophobicContact CG2-CD1 3.95Å; V21-I63 HydrophobicContact CG2-CG1 4.09Å; V21-L64 VanDerWaalsContact CG2-O 3.31Å; V21-L64 WeakPolarHBondContact CG2-O 3.1Å; V21-L64 PolarHBondContact N-O 2.93Å; V21-V65 HydrophobicContact CG2-CG1 3.91Å
22	D	98.7	Very high	97.8	Very high	5 Å²	5	26.7 Å²	26.7	3%	0.027	17%	0.166	C	C	.	.			trans	-77.2	4.4	-177.8	67.8	-41	0	0	0	114.9	R24 L64 D66 A89 K124	D22-R24 WeakPolarHBondContact O-CG 3.39Å; D22-R24 PolarHBondContact O-N 2.55Å; D22-L64 HydrophobicContact CB-CD1 4.35Å; D22-L64 HydrophobicContact CB-CD2 4.33Å; D22-L64 HydrophobicContact CB-CG 3.86Å; D22-L64 PolarHBondContact N-O 2.9Å; D22-D66 HydrophobicContact CB-CB 4.02Å; D22-A89 HydrophobicContact CB-CB 4.23Å; D22-K124 IonicContact OD2-NZ 3.22Å
23	Q	97.9	Very high	97.8	Very high	30 Å²	30	25.6 Å²	25.6	14%	0.14	16%	0.157	C	C	.	.			trans	-68	125.2	-178	-65.4	69	32.6	0	0	110.3	V21 M27 K49 W256	V21-Q23 PolarHBondContact O-N 3.25Å; Q23-M27 HydrophobicContact CB-CB 4.02Å; Q23-M27 HydrophobicContact CB-CE 4.45Å; Q23-M27 WeakPolarHBondContact O-CB 3.42Å; Q23-K49 WeakPolarHBondContact O-CE 3.38Å; Q23-K49 PolarHBondContact O-NZ 3.5Å; Q23-W256 HydrophobicContact CB-CH2 4.49Å; Q23-W256 HydrophobicContact CG-CH2 4.33Å; Q23-W256 HydrophobicContact CG-CZ2 4.27Å
24	R	97.4	Very high	97.7	Very high	21 Å²	21	26.8 Å²	26.8	8%	0.079	17%	0.168	C	C	.	.			trans	-94.7	-112.7	-173.2	-61	-177.7	-137.4	-175.5	-5.2	111.2	D22 A26 M27 R28 D66 F69 D91 F93	D22-R24 WeakPolarHBondContact O-CG 3.39Å; D22-R24 PolarHBondContact O-N 2.55Å; R24-A26 PolarHBondContact O-N 2.81Å; R24-A26 VanDerWaalsContact O-N 3.08Å; R24-M27 WeakPolarHBondContact O-CA 3.3Å; R24-M27 WeakPolarHBondContact O-CB 3.38Å; R24-M27 PolarHBondContact O-N 2.84Å; R24-R28 PolarHBondContact O-N 3.04Å; R24-D66 HydrophobicContact CG-CB 4.45Å; R24-F69 HydrophobicContact CB-CD2 4.31Å; R24-F69 HydrophobicContact CB-CE2 3.73Å; R24-F69 HydrophobicContact CG-CD2 4.22Å; R24-F69 HydrophobicContact CG-CE2 4.06Å; R24-D91 VanDerWaalsContact CZ-O 3.28Å; R24-D91 IonicContact CZ-OD1 2.93Å; R24-D91 PolarHBondContact NH1-O 2.96Å; R24-D91 PolarHBondContact NH2-O 3.32Å; R24-D91 IonicContact NH2-OD1 2.82Å; R24-D91 PolarHBondContact NH2-OD1 2.8Å; R24-F93 HydrophobicContact CG-CD2 4.35Å; R24-F93 HydrophobicContact CG-CE2 4.39Å
25	E	97.1	Very high	97.5	Very high	66 Å²	66	28.4 Å²	28.4	31%	0.308	19%	0.185	S	C	.	.	H	α-helix	trans	-57.3	-26.5	175	-61.9	-51.4	125.5	0	0	113.2	M27 R28 M29 P100	E25-M27 VanDerWaalsContact C-N 3.31Å; E25-M27 PolarHBondContact O-N 3.33Å; E25-R28 WeakPolarHBondContact O-CB 3.24Å; E25-R28 PolarHBondContact O-N 3.44Å; E25-R28 IonicContact OE1-CZ 2.71Å; E25-R28 IonicContact OE1-NE 3.11Å; E25-R28 PolarHBondContact OE1-NE 3.37Å; E25-R28 IonicContact OE1-NH2 2.85Å; E25-R28 PolarHBondContact OE1-NH2 3.34Å; E25-R28 WeakPolarHBondContact OE2-CD 3.22Å; E25-R28 IonicContact OE2-CZ 4Å; E25-R28 IonicContact OE2-NE 3.19Å; E25-R28 PolarHBondContact OE2-NE 3.03Å; E25-R28 IonicContact OE2-NH2 2.94Å; E25-M29 WeakPolarHBondContact O-CG 3.25Å; E25-M29 PolarHBondContact O-N 3.05Å; E25-P100 HydrophobicContact CB-CB 3.72Å
26	A	95.3	Very high	97.3	Very high	19 Å²	19	29.6 Å²	29.6	16%	0.157	20%	0.195	C	C	.	.	H	α-helix	trans	-60.7	-37.7	170.4	0	0	0	0	0	113.1	R24 M30	R24-A26 PolarHBondContact O-N 2.81Å; R24-A26 VanDerWaalsContact O-N 3.08Å; A26-M30 WeakPolarHBondContact O-CG 3.49Å; A26-M30 PolarHBondContact O-N 3.15Å
27	M	97.2	Very high	97	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-72.5	-38	174.1	-174.5	179.7	-82.5	0	0	111	Q23 R24 E25 M29 M30 F31 L45 F48 K49 W256	Q23-M27 HydrophobicContact CB-CB 4.02Å; Q23-M27 HydrophobicContact CB-CE 4.45Å; Q23-M27 WeakPolarHBondContact O-CB 3.42Å; R24-M27 WeakPolarHBondContact O-CA 3.3Å; R24-M27 WeakPolarHBondContact O-CB 3.38Å; R24-M27 PolarHBondContact O-N 2.84Å; E25-M27 VanDerWaalsContact C-N 3.31Å; E25-M27 PolarHBondContact O-N 3.33Å; M27-M29 VanDerWaalsContact C-N 3.3Å; M27-M29 PolarHBondContact O-N 2.82Å; M27-M30 WeakPolarHBondContact O-CA 3.25Å; M27-M30 WeakPolarHBondContact O-CB 3.38Å; M27-M30 PolarHBondContact O-N 3.29Å; M27-F31 HydrophobicContact CG-CD2 4.01Å; M27-F31 HydrophobicContact CG-CE2 3.93Å; M27-F31 WeakPolarHBondContact O-CD2 3.1Å; M27-F31 PolarHBondContact O-N 3.4Å; M27-F31 HydrophobicContact SD-CE2 4.26Å; M27-L45 HydrophobicContact CB-CD2 4.46Å; M27-L45 HydrophobicContact CG-CD2 4.08Å; M27-L45 HydrophobicContact SD-CD2 4.41Å; M27-F48 HydrophobicContact CE-CD1 3.89Å; M27-F48 HydrophobicContact CE-CE1 3.98Å; M27-F48 HydrophobicContact SD-CD1 3.92Å; M27-K49 HydrophobicContact CE-CG 4.27Å; M27-K49 HydrophobicContact SD-CD 4.47Å; M27-K49 HydrophobicContact SD-CG 4.07Å; M27-W256 HydrophobicContact CE-CE3 4.3Å; M27-W256 HydrophobicContact CE-CH2 3.52Å; M27-W256 HydrophobicContact CE-CZ2 3.9Å; M27-W256 HydrophobicContact CE-CZ3 3.72Å
28	R	97.7	Very high	96.6	Very high	44 Å²	44	39.2 Å²	39.2	17%	0.166	27%	0.266	C	S	.	.	H	α-helix	trans	-56.9	-44.5	173.9	-160.1	-173	-54.2	-83.7	-0.2	112.1	R24 E25 M30 F31 A32 V40 D42 L45 F69	R24-R28 PolarHBondContact O-N 3.04Å; E25-R28 WeakPolarHBondContact O-CB 3.24Å; E25-R28 PolarHBondContact O-N 3.44Å; E25-R28 IonicContact OE1-CZ 2.71Å; E25-R28 IonicContact OE1-NE 3.11Å; E25-R28 PolarHBondContact OE1-NE 3.37Å; E25-R28 IonicContact OE1-NH2 2.85Å; E25-R28 PolarHBondContact OE1-NH2 3.34Å; E25-R28 WeakPolarHBondContact OE2-CD 3.22Å; E25-R28 IonicContact OE2-CZ 4Å; E25-R28 IonicContact OE2-NE 3.19Å; E25-R28 PolarHBondContact OE2-NE 3.03Å; E25-R28 IonicContact OE2-NH2 2.94Å; R28-M30 VanDerWaalsContact C-N 3.29Å; R28-M30 PolarHBondContact O-N 2.79Å; R28-F31 PolarHBondContact O-N 2.98Å; R28-A32 PolarHBondContact O-N 2.96Å; R28-V40 HydrophobicContact CG-CB 3.77Å; R28-V40 HydrophobicContact CG-CG1 4.1Å; R28-V40 PolarHBondContact NH1-O 3.23Å; R28-D42 IonicContact CZ-OD1 3.22Å; R28-D42 IonicContact NH1-OD1 3.77Å; R28-D42 PolarHBondContact NH1-OD1 3.21Å; R28-D42 IonicContact NH2-OD1 2.89Å; R28-D42 PolarHBondContact NH2-OD1 3.19Å; R28-L45 HydrophobicContact CB-CD1 4.02Å; R28-L45 HydrophobicContact CB-CD2 4.31Å; R28-L45 HydrophobicContact CG-CD1 4.38Å; R28-F69 VanDerWaalsContact NH2-CZ 3.33Å
29	M	96.4	Very high	96.5	Very high	103 Å²	103	45.1 Å²	45.1	51%	0.507	30%	0.304	S	S	.	.	H	α-helix	trans	-63	-33.9	174.4	-69.9	-170.6	-60.4	0	0	112.6	E25 M27 A32 A33 P100	E25-M29 WeakPolarHBondContact O-CG 3.25Å; E25-M29 PolarHBondContact O-N 3.05Å; M27-M29 VanDerWaalsContact C-N 3.3Å; M27-M29 PolarHBondContact O-N 2.82Å; M29-A32 PolarHBondContact O-N 3.36Å; M29-A33 VanDerWaalsContact O-CB 3.24Å; M29-A33 WeakPolarHBondContact O-CB 3.38Å; M29-A33 PolarHBondContact O-N 3.49Å; M29-P100 HydrophobicContact CE-CG 3.59Å
30	M	96.7	Very high	96.4	Very high	39 Å²	39	45.6 Å²	45.6	19%	0.192	31%	0.307	C	S	.	.	H	α-helix	trans	-67.1	-43.3	175.3	-67.9	171.1	67.2	0	0	111.7	A26 M27 R28 A33 A34 R253 W256 A257 V260	A26-M30 WeakPolarHBondContact O-CG 3.49Å; A26-M30 PolarHBondContact O-N 3.15Å; M27-M30 WeakPolarHBondContact O-CA 3.25Å; M27-M30 WeakPolarHBondContact O-CB 3.38Å; M27-M30 PolarHBondContact O-N 3.29Å; R28-M30 VanDerWaalsContact C-N 3.29Å; R28-M30 PolarHBondContact O-N 2.79Å; M30-A33 PolarHBondContact O-N 3.22Å; M30-A34 WeakPolarHBondContact O-CB 3.46Å; M30-A34 PolarHBondContact O-N 2.81Å; M30-R253 HydrophobicContact CE-CG 4.41Å; M30-R253 HydrophobicContact SD-CG 4.44Å; M30-W256 HydrophobicContact CE-CH2 4.18Å; M30-W256 HydrophobicContact CE-CZ3 3.65Å; M30-W256 HydrophobicContact SD-CH2 4.09Å; M30-W256 HydrophobicContact SD-CZ3 4.04Å; M30-A257 HydrophobicContact CE-CB 3.39Å; M30-V260 HydrophobicContact CB-CG1 4.12Å; M30-V260 HydrophobicContact CE-CG2 4.24Å
31	F	97.5	Very high	96.3	Very high	7 Å²	7	47.9 Å²	47.9	3%	0.031	33%	0.326	C	S	.	.	H	α-helix	trans	-61.5	-45.4	173.7	-87.7	-78.5	0	0	0	111.9	M27 R28 A33 A34 G35 A36 V40 V44 L45 F48 V260	M27-F31 HydrophobicContact CG-CD2 4.01Å; M27-F31 HydrophobicContact CG-CE2 3.93Å; M27-F31 WeakPolarHBondContact O-CD2 3.1Å; M27-F31 PolarHBondContact O-N 3.4Å; M27-F31 HydrophobicContact SD-CE2 4.26Å; R28-F31 PolarHBondContact O-N 2.98Å; F31-A33 VanDerWaalsContact C-N 3.35Å; F31-A33 PolarHBondContact O-N 2.84Å; F31-A34 CarbonylContact O-C 3.59Å; F31-A34 PolarHBondContact O-N 3.18Å; F31-G35 PolarHBondContact O-N 3.41Å; F31-A36 HydrophobicContact CB-CB 4Å; F31-A36 HydrophobicContact CD1-CB 4.3Å; F31-A36 WeakPolarHBondContact O-CB 3.33Å; F31-A36 PolarHBondContact O-N 3.48Å; F31-V40 HydrophobicContact CB-CG1 3.88Å; F31-V40 HydrophobicContact CB-CG2 4.13Å; F31-V40 HydrophobicContact CG-CG1 4.39Å; F31-V44 HydrophobicContact CD1-CG1 3.83Å; F31-V44 HydrophobicContact CD2-CG1 4.47Å; F31-V44 HydrophobicContact CE1-CG1 3.74Å; F31-V44 HydrophobicContact CE2-CG1 4.4Å; F31-V44 HydrophobicContact CG-CG1 4.2Å; F31-V44 HydrophobicContact CZ-CG1 4.05Å; F31-L45 HydrophobicContact CD2-CD2 3.61Å; F31-L45 HydrophobicContact CE2-CD2 3.99Å; F31-F48 HydrophobicContact CE2-CB 4.12Å; F31-F48 HydrophobicContact CE2-CD1 4.47Å; F31-F48 HydrophobicContact CE2-CG 4.13Å; F31-F48 HydrophobicContact CZ-CB 3.75Å; F31-F48 HydrophobicContact CZ-CD1 4.48Å; F31-F48 AromaticContact CZ-CD2 3.81Å; F31-F48 HydrophobicContact CZ-CD2 3.81Å; F31-F48 AromaticContact CZ-CG 3.76Å; F31-F48 HydrophobicContact CZ-CG 3.76Å; F31-V260 HydrophobicContact CB-CG1 4.37Å; F31-V260 HydrophobicContact CD1-CG1 3.79Å; F31-V260 HydrophobicContact CD2-CG1 3.85Å; F31-V260 HydrophobicContact CE1-CG1 3.94Å; F31-V260 HydrophobicContact CE2-CG1 4Å; F31-V260 HydrophobicContact CG-CG1 3.74Å; F31-V260 HydrophobicContact CZ-CG1 4.04Å
32	A	96.7	Very high	96.3	Very high	52 Å²	52	52 Å²	52	43%	0.43	35%	0.348	S	S	.	.	H	α-helix	trans	-60.5	-44.5	176.4	0	0	0	0	0	111.7	R28 M29 A34 G35 V40	R28-A32 PolarHBondContact O-N 2.96Å; M29-A32 PolarHBondContact O-N 3.36Å; A32-A34 VanDerWaalsContact C-N 3.27Å; A32-A34 PolarHBondContact O-N 2.94Å; A32-G35 PolarHBondContact O-N 2.89Å; A32-V40 HydrophobicContact CB-CG2 4.18Å
33	A	96.6	Very high	96.2	Very high	91 Å²	91	54.9 Å²	54.9	75%	0.752	37%	0.369	S	S	*	.	H	α-helix	trans	-66	-28.6	177	0	0	0	0	0	113.1	M29 M30 F31 G35	M29-A33 VanDerWaalsContact O-CB 3.24Å; M29-A33 WeakPolarHBondContact O-CB 3.38Å; M29-A33 PolarHBondContact O-N 3.49Å; M30-A33 PolarHBondContact O-N 3.22Å; F31-A33 VanDerWaalsContact C-N 3.35Å; F31-A33 PolarHBondContact O-N 2.84Å; A33-G35 PolarHBondContact O-N 2.87Å
34	A	96.1	Very high	96.2	Very high	49 Å²	49	55.9 Å²	55.9	41%	0.405	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	2.2	173.6	0	0	0	0	0	113.4	M30 F31 A32 V260	M30-A34 WeakPolarHBondContact O-CB 3.46Å; M30-A34 PolarHBondContact O-N 2.81Å; F31-A34 CarbonylContact O-C 3.59Å; F31-A34 PolarHBondContact O-N 3.18Å; A32-A34 VanDerWaalsContact C-N 3.27Å; A32-A34 PolarHBondContact O-N 2.94Å; A34-V260 HydrophobicContact CB-CG1 4.37Å; A34-V260 WeakPolarHBondContact CB-O 3.48Å
35	G	95.4	Very high	96.2	Very high	64 Å²	64	54.9 Å²	54.9	66%	0.66	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.6	14.9	175.6	0	0	0	0	0	115.1	F31 A32 A33	F31-G35 PolarHBondContact O-N 3.41Å; A32-G35 PolarHBondContact O-N 2.89Å; A33-G35 PolarHBondContact O-N 2.87Å
36	A	93.9	Very high	96.3	Very high	24 Å²	24	52.6 Å²	52.6	20%	0.198	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-62.1	141.7	172.5	0	0	0	0	0	110.9	F31 A38 V40	F31-A36 HydrophobicContact CB-CB 4Å; F31-A36 HydrophobicContact CD1-CB 4.3Å; F31-A36 WeakPolarHBondContact O-CB 3.33Å; F31-A36 PolarHBondContact O-N 3.48Å; A36-A38 PolarHBondContact O-N 3.15Å; A36-V40 HydrophobicContact CB-CG2 3.94Å
37	P	92.4	Very high	96.4	Very high	115 Å²	115	56.1 Å²	56.1	75%	0.747	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-56.4	133.8	178.6	-25.9	34.5	0	0	0	112.5	P39 V40	P37-P39 CarbonylContact O-C 3.59Å; P37-V40 PolarHBondContact O-N 3.25Å
38	A	91.4	Very high	96.4	Very high	93 Å²	93	56.1 Å²	56.1	77%	0.769	38%	0.38	S	S	*	.	S	Bend	trans	-91.7	141.9	177.9	0	0	0	0	0	111.6	A36	A36-A38 PolarHBondContact O-N 3.15Å
39	P	95.3	Very high	96.5	Very high	125 Å²	125	54 Å²	54	81%	0.812	37%	0.372	S	S	*	.	S	Bend	cis	-72.6	137.6	-5.7	30.9	-33.8	0	0	0	111.4	P37 A41	P37-P39 CarbonylContact O-C 3.59Å; P39-A41 PolarHBondContact O-N 3.04Å; P39-A41 VanDerWaalsContact O-N 3.15Å
40	V	97.1	Very high	96.6	Very high	10 Å²	10	49.3 Å²	49.3	6%	0.061	35%	0.348	C	S	.	.			trans	-66.9	115.4	173.5	179.3	0	0	0	0	107.8	R28 F31 A32 A36 P37 V44 L45	R28-V40 HydrophobicContact CG-CB 3.77Å; R28-V40 HydrophobicContact CG-CG1 4.1Å; R28-V40 PolarHBondContact NH1-O 3.23Å; F31-V40 HydrophobicContact CB-CG1 3.88Å; F31-V40 HydrophobicContact CB-CG2 4.13Å; F31-V40 HydrophobicContact CG-CG1 4.39Å; A32-V40 HydrophobicContact CB-CG2 4.18Å; A36-V40 HydrophobicContact CB-CG2 3.94Å; P37-V40 PolarHBondContact O-N 3.25Å; V40-V44 HydrophobicContact CG1-CB 4.08Å; V40-V44 HydrophobicContact CG1-CG1 4.13Å; V40-L45 HydrophobicContact CG1-CD2 4.31Å
41	A	97.4	Very high	96.6	Very high	49 Å²	49	48.8 Å²	48.8	41%	0.405	35%	0.346	S	S	.	.			trans	-70.8	152.9	-177.3	0	0	0	0	0	112.5	P39 S43 V44	P39-A41 PolarHBondContact O-N 3.04Å; P39-A41 VanDerWaalsContact O-N 3.15Å; A41-S43 PolarHBondContact O-N 3.14Å; A41-V44 HydrophobicContact CB-CG2 4.4Å; A41-V44 WeakPolarHBondContact O-CB 3.31Å; A41-V44 PolarHBondContact O-N 2.88Å; A41-V44 VanDerWaalsContact O-N 3.09Å
42	D	98.2	Very high	96.7	Very high	85 Å²	85	48.4 Å²	48.4	46%	0.455	35%	0.345	S	S	.	.	H	α-helix	trans	-59.1	-36.1	178	-70.7	-1.5	0	0	0	112.5	R28 V44 L45 T46 F69	R28-D42 IonicContact CZ-OD1 3.22Å; R28-D42 IonicContact NH1-OD1 3.77Å; R28-D42 PolarHBondContact NH1-OD1 3.21Å; R28-D42 IonicContact NH2-OD1 2.89Å; R28-D42 PolarHBondContact NH2-OD1 3.19Å; D42-V44 PolarHBondContact O-N 3.15Å; D42-L45 WeakPolarHBondContact O-CB 3.36Å; D42-L45 PolarHBondContact O-N 2.93Å; D42-T46 PolarHBondContact O-N 3.43Å; D42-T46 PolarHBondContact O-OG1 2.94Å; D42-F69 HydrophobicContact CB-CD1 4.27Å; D42-F69 HydrophobicContact CB-CE1 4.05Å
43	S	97.5	Very high	96.8	Very high	67 Å²	67	46 Å²	46	47%	0.469	33%	0.325	S	S	.	.	H	α-helix	trans	-57.8	-35.7	176.7	57.2	0	0	0	0	112.3	A41 L45 T46 D47	A41-S43 PolarHBondContact O-N 3.14Å; S43-L45 VanDerWaalsContact C-N 3.28Å; S43-L45 PolarHBondContact O-N 2.63Å; S43-T46 PolarHBondContact O-N 3.22Å; S43-D47 VanDerWaalsContact O-CB 3.27Å; S43-D47 WeakPolarHBondContact O-CB 3.42Å; S43-D47 PolarHBondContact O-N 2.81Å
44	V	97	Very high	96.9	Very high	51 Å²	51	46 Å²	46	31%	0.309	31%	0.308	S	S	.	.	H	α-helix	trans	-61.6	-39.6	176.4	179.2	0	0	0	0	111	F31 V40 A41 D42 F48	F31-V44 HydrophobicContact CD1-CG1 3.83Å; F31-V44 HydrophobicContact CD2-CG1 4.47Å; F31-V44 HydrophobicContact CE1-CG1 3.74Å; F31-V44 HydrophobicContact CE2-CG1 4.4Å; F31-V44 HydrophobicContact CG-CG1 4.2Å; F31-V44 HydrophobicContact CZ-CG1 4.05Å; V40-V44 HydrophobicContact CG1-CB 4.08Å; V40-V44 HydrophobicContact CG1-CG1 4.13Å; A41-V44 HydrophobicContact CB-CG2 4.4Å; A41-V44 WeakPolarHBondContact O-CB 3.31Å; A41-V44 PolarHBondContact O-N 2.88Å; A41-V44 VanDerWaalsContact O-N 3.09Å; D42-V44 PolarHBondContact O-N 3.15Å; V44-F48 WeakPolarHBondContact O-CB 3.39Å; V44-F48 PolarHBondContact O-N 3.48Å
45	L	98	Very high	97	Very high	0 Å²	0	45 Å²	45	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-70.5	-47.4	177.7	-50.9	-175.4	0	0	0	110.6	M27 R28 F31 V40 D42 S43 F48 K49 F69	M27-L45 HydrophobicContact CB-CD2 4.46Å; M27-L45 HydrophobicContact CG-CD2 4.08Å; M27-L45 HydrophobicContact SD-CD2 4.41Å; R28-L45 HydrophobicContact CB-CD1 4.02Å; R28-L45 HydrophobicContact CB-CD2 4.31Å; R28-L45 HydrophobicContact CG-CD1 4.38Å; F31-L45 HydrophobicContact CD2-CD2 3.61Å; F31-L45 HydrophobicContact CE2-CD2 3.99Å; V40-L45 HydrophobicContact CG1-CD2 4.31Å; D42-L45 WeakPolarHBondContact O-CB 3.36Å; D42-L45 PolarHBondContact O-N 2.93Å; S43-L45 VanDerWaalsContact C-N 3.28Å; S43-L45 PolarHBondContact O-N 2.63Å; L45-F48 PolarHBondContact O-N 3.3Å; L45-K49 WeakPolarHBondContact O-CB 3.18Å; L45-K49 VanDerWaalsContact O-CD 3.27Å; L45-K49 WeakPolarHBondContact O-CD 3.08Å; L45-K49 WeakPolarHBondContact O-CG 3.47Å; L45-K49 PolarHBondContact O-N 2.98Å; L45-F69 HydrophobicContact CB-CD1 4.37Å; L45-F69 HydrophobicContact CB-CG 4.4Å; L45-F69 HydrophobicContact CD1-CD1 4.24Å; L45-F69 HydrophobicContact CD1-CD2 4.41Å; L45-F69 HydrophobicContact CD1-CE1 3.91Å; L45-F69 HydrophobicContact CD1-CE2 4.07Å; L45-F69 HydrophobicContact CD1-CG 4.48Å; L45-F69 HydrophobicContact CD1-CZ 3.8Å
46	T	98.3	Very high	97.1	Very high	18 Å²	18	42 Å²	42	11%	0.11	27%	0.268	C	S	.	.	H	α-helix	trans	-58.2	-49.2	177.8	-62.9	0	0	0	0	111.5	D42 S43 F48 K49 V50 F69 Q73	D42-T46 PolarHBondContact O-N 3.43Å; D42-T46 PolarHBondContact O-OG1 2.94Å; S43-T46 PolarHBondContact O-N 3.22Å; T46-F48 PolarHBondContact O-N 2.86Å; T46-K49 PolarHBondContact O-N 3.26Å; T46-V50 HydrophobicContact CG2-CG2 4.25Å; T46-V50 WeakPolarHBondContact O-CB 3.49Å; T46-V50 WeakPolarHBondContact O-CG2 3.4Å; T46-V50 PolarHBondContact O-N 2.86Å; T46-F69 WeakPolarHBondContact CB-O 3.19Å; T46-F69 VanDerWaalsContact CG2-O 3.26Å; T46-F69 WeakPolarHBondContact CG2-O 3.49Å; T46-F69 PolarHBondContact OG1-O 3.37Å; T46-Q73 HydrophobicContact CG2-CB 4.17Å; T46-Q73 HydrophobicContact CG2-CG 3.69Å
47	D	97.4	Very high	97.3	Very high	93 Å²	93	40.9 Å²	40.9	50%	0.497	26%	0.259	S	S	.	.	H	α-helix	trans	-60.5	-46.4	-178.9	-68.9	-19.2	0	0	0	110.7	S43 K49 V50 N51	S43-D47 VanDerWaalsContact O-CB 3.27Å; S43-D47 WeakPolarHBondContact O-CB 3.42Å; S43-D47 PolarHBondContact O-N 2.81Å; D47-K49 PolarHBondContact O-N 3.4Å; D47-V50 PolarHBondContact O-N 3.17Å; D47-N51 VanDerWaalsContact O-CB 3.28Å; D47-N51 WeakPolarHBondContact O-CB 3.41Å; D47-N51 VanDerWaalsContact O-CG 3.29Å; D47-N51 PolarHBondContact O-N 3.34Å
48	F	98.1	Very high	97.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.1	-45.5	175.7	-176.6	-93.5	0	0	0	112.2	M27 F31 V44 L45 T46 N51 A52 W256 V259 V260 L269	M27-F48 HydrophobicContact CE-CD1 3.89Å; M27-F48 HydrophobicContact CE-CE1 3.98Å; M27-F48 HydrophobicContact SD-CD1 3.92Å; F31-F48 HydrophobicContact CE2-CB 4.12Å; F31-F48 HydrophobicContact CE2-CD1 4.47Å; F31-F48 HydrophobicContact CE2-CG 4.13Å; F31-F48 HydrophobicContact CZ-CB 3.75Å; F31-F48 HydrophobicContact CZ-CD1 4.48Å; F31-F48 AromaticContact CZ-CD2 3.81Å; F31-F48 HydrophobicContact CZ-CD2 3.81Å; F31-F48 AromaticContact CZ-CG 3.76Å; F31-F48 HydrophobicContact CZ-CG 3.76Å; V44-F48 WeakPolarHBondContact O-CB 3.39Å; V44-F48 PolarHBondContact O-N 3.48Å; L45-F48 PolarHBondContact O-N 3.3Å; T46-F48 PolarHBondContact O-N 2.86Å; F48-N51 PolarHBondContact O-N 3.3Å; F48-A52 VanDerWaalsContact O-CB 3.23Å; F48-A52 WeakPolarHBondContact O-CB 3.44Å; F48-A52 PolarHBondContact O-N 3.05Å; F48-W256 HydrophobicContact CE1-CB 4.49Å; F48-W256 AromaticContact CE1-CD2 3.95Å; F48-W256 HydrophobicContact CE1-CD2 3.95Å; F48-W256 AromaticContact CE1-CE3 3.6Å; F48-W256 HydrophobicContact CE1-CE3 3.6Å; F48-W256 HydrophobicContact CE1-CG 4.31Å; F48-W256 HydrophobicContact CE1-CZ3 4.26Å; F48-W256 HydrophobicContact CZ-CB 4.11Å; F48-W256 HydrophobicContact CZ-CD2 4.26Å; F48-W256 AromaticContact CZ-CE3 3.81Å; F48-W256 HydrophobicContact CZ-CE3 3.81Å; F48-W256 HydrophobicContact CZ-CG 4.39Å; F48-V259 HydrophobicContact CE2-CG2 4.08Å; F48-V259 HydrophobicContact CZ-CG2 4.2Å; F48-V260 HydrophobicContact CE1-CG2 4.38Å; F48-V260 HydrophobicContact CE2-CG2 4.28Å; F48-V260 HydrophobicContact CZ-CG2 3.91Å; F48-L269 HydrophobicContact CE2-CD2 4.3Å; F48-L269 HydrophobicContact CZ-CD2 4.19Å
49	K	98.6	Very high	98	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-44.2	-179.6	-72.9	161.2	-179.7	-82.3	0	112.3	V21 Q23 M27 L45 T46 D47 A52 A53 D66 F69 C70	V21-K49 PolarHBondContact O-NZ 3.32Å; Q23-K49 WeakPolarHBondContact O-CE 3.38Å; Q23-K49 PolarHBondContact O-NZ 3.5Å; M27-K49 HydrophobicContact CE-CG 4.27Å; M27-K49 HydrophobicContact SD-CD 4.47Å; M27-K49 HydrophobicContact SD-CG 4.07Å; L45-K49 WeakPolarHBondContact O-CB 3.18Å; L45-K49 VanDerWaalsContact O-CD 3.27Å; L45-K49 WeakPolarHBondContact O-CD 3.08Å; L45-K49 WeakPolarHBondContact O-CG 3.47Å; L45-K49 PolarHBondContact O-N 2.98Å; T46-K49 PolarHBondContact O-N 3.26Å; D47-K49 PolarHBondContact O-N 3.4Å; K49-A52 PolarHBondContact O-N 3.37Å; K49-A53 WeakPolarHBondContact O-CB 3.22Å; K49-A53 PolarHBondContact O-N 3.25Å; K49-D66 IonicContact NZ-OD1 2.96Å; K49-D66 PolarHBondContact NZ-OD1 2.88Å; K49-F69 HydrophobicContact CD-CB 3.65Å; K49-C70 HydrophobicContact CB-CB 3.59Å; K49-C70 HydrophobicContact CD-CB 3.83Å; K49-C70 HydrophobicContact CG-CB 4.3Å
50	V	98.4	Very high	98.2	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.018	19%	0.185	C	C	.	.	H	α-helix	trans	-67.6	-42	178.8	172.6	0	0	0	0	110.6	T46 D47 A53 K54 Q73 V74 A79	T46-V50 HydrophobicContact CG2-CG2 4.25Å; T46-V50 WeakPolarHBondContact O-CB 3.49Å; T46-V50 WeakPolarHBondContact O-CG2 3.4Å; T46-V50 PolarHBondContact O-N 2.86Å; D47-V50 PolarHBondContact O-N 3.17Å; V50-A53 WeakPolarHBondContact O-CB 3.45Å; V50-A53 PolarHBondContact O-N 3.04Å; V50-K54 HydrophobicContact CG1-CD 4.34Å; V50-K54 WeakPolarHBondContact O-CG 3.38Å; V50-K54 PolarHBondContact O-N 3.39Å; V50-Q73 HydrophobicContact CG2-CB 3.72Å; V50-V74 HydrophobicContact CG2-CG1 4.12Å; V50-A79 HydrophobicContact CG1-CB 4.02Å
51	N	98.2	Very high	98.3	Very high	28 Å²	28	32.1 Å²	32.1	15%	0.15	19%	0.185	C	C	.	.	H	α-helix	trans	-67	-39.4	176.5	-73.9	-10.2	0	0	0	111.9	D47 F48 A53 K54 A55 E266 L269	D47-N51 VanDerWaalsContact O-CB 3.28Å; D47-N51 WeakPolarHBondContact O-CB 3.41Å; D47-N51 VanDerWaalsContact O-CG 3.29Å; D47-N51 PolarHBondContact O-N 3.34Å; F48-N51 PolarHBondContact O-N 3.3Å; N51-A53 VanDerWaalsContact C-N 3.33Å; N51-A53 PolarHBondContact O-N 3.22Å; N51-K54 PolarHBondContact O-N 2.83Å; N51-A55 VanDerWaalsContact O-CB 3.31Å; N51-A55 WeakPolarHBondContact O-CB 3.46Å; N51-A55 PolarHBondContact O-N 2.84Å; N51-E266 HydrophobicContact CB-CG 4.23Å; N51-E266 WeakPolarHBondContact ND2-CG 3.48Å; N51-E266 PolarHBondContact ND2-OE1 3.24Å; N51-L269 HydrophobicContact CB-CD1 3.88Å
52	A	98.5	Very high	98.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.7	-42	172.4	0	0	0	0	0	111.1	V21 F48 K49 L56 L269	V21-A52 HydrophobicContact CG1-CB 4.09Å; F48-A52 VanDerWaalsContact O-CB 3.23Å; F48-A52 WeakPolarHBondContact O-CB 3.44Å; F48-A52 PolarHBondContact O-N 3.05Å; K49-A52 PolarHBondContact O-N 3.37Å; A52-L56 HydrophobicContact CB-CD1 4.32Å; A52-L56 WeakPolarHBondContact O-CB 3.31Å; A52-L56 WeakPolarHBondContact O-CG 3.48Å; A52-L56 PolarHBondContact O-N 3.24Å; A52-L269 HydrophobicContact CB-CD1 4.22Å; A52-L269 HydrophobicContact CB-CD2 3.98Å
53	A	98.6	Very high	98.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.4	-50	174.5	0	0	0	0	0	111.6	K49 V50 N51 A55 S57 I63 V74 A79 I80	K49-A53 WeakPolarHBondContact O-CB 3.22Å; K49-A53 PolarHBondContact O-N 3.25Å; V50-A53 WeakPolarHBondContact O-CB 3.45Å; V50-A53 PolarHBondContact O-N 3.04Å; N51-A53 VanDerWaalsContact C-N 3.33Å; N51-A53 PolarHBondContact O-N 3.22Å; A53-A55 PolarHBondContact O-N 2.94Å; A53-S57 WeakPolarHBondContact O-CB 3.42Å; A53-S57 PolarHBondContact O-N 2.62Å; A53-S57 PolarHBondContact O-OG 3.03Å; A53-I63 HydrophobicContact CB-CD1 3.71Å; A53-V74 HydrophobicContact CB-CG1 3.98Å; A53-A79 CarbonylContact C-O 3.45Å; A53-A79 VanDerWaalsContact C-O 3.25Å; A53-A79 HydrophobicContact CB-CB 4.2Å; A53-I80 HydrophobicContact CB-CG1 4.49Å
54	K	98.3	Very high	98.4	Very high	93 Å²	93	22.5 Å²	22.5	40%	0.404	12%	0.122	S	C	.	.	H	α-helix	trans	-60.3	-48.5	179.4	-70.5	173.7	-173.8	168.3	0	112.4	V50 N51 A79	V50-K54 HydrophobicContact CG1-CD 4.34Å; V50-K54 WeakPolarHBondContact O-CG 3.38Å; V50-K54 PolarHBondContact O-N 3.39Å; N51-K54 PolarHBondContact O-N 2.83Å; K54-A79 VanDerWaalsContact CA-O 3.24Å; K54-A79 WeakPolarHBondContact CA-O 3.23Å; K54-A79 HydrophobicContact CG-CB 3.76Å; K54-A79 PolarHBondContact N-O 3.32Å
55	A	98.2	Very high	98.5	Very high	27 Å²	27	20.1 Å²	20.1	22%	0.223	11%	0.107	C	C	.	.	H	α-helix	trans	-75.8	-33.7	-173.7	0	0	0	0	0	113.2	N51 A53 L269	N51-A55 VanDerWaalsContact O-CB 3.31Å; N51-A55 WeakPolarHBondContact O-CB 3.46Å; N51-A55 PolarHBondContact O-N 2.84Å; A53-A55 PolarHBondContact O-N 2.94Å; A55-L269 HydrophobicContact CB-CB 3.93Å
56	L	98.8	Very high	98.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-110	-25.9	-166.9	-53.7	-179.3	0	0	0	114.3	L19 A52 P58 Y59 V255 L269 C273 A274 L277	L19-L56 HydrophobicContact CD1-CD1 4.28Å; L19-L56 HydrophobicContact CD2-CB 3.49Å; L19-L56 VanDerWaalsContact CD2-CB 3.49Å; L19-L56 HydrophobicContact CD2-CD1 4.1Å; L19-L56 HydrophobicContact CD2-CG 4.43Å; A52-L56 HydrophobicContact CB-CD1 4.32Å; A52-L56 WeakPolarHBondContact O-CB 3.31Å; A52-L56 WeakPolarHBondContact O-CG 3.48Å; A52-L56 PolarHBondContact O-N 3.24Å; L56-P58 VanDerWaalsContact C-N 3.3Å; L56-Y59 PolarHBondContact O-N 2.78Å; L56-V255 HydrophobicContact CD1-CG1 4.05Å; L56-L269 HydrophobicContact CD1-CD2 3.99Å; L56-L269 WeakPolarHBondContact CD2-O 3.14Å; L56-C273 HydrophobicContact CD1-CB 4.04Å; L56-C273 HydrophobicContact CD2-CB 3.76Å; L56-A274 HydrophobicContact CD2-CB 3.9Å; L56-L277 HydrophobicContact CB-CD2 3.91Å; L56-L277 WeakPolarHBondContact O-CD2 3.36Å
57	S	98.8	Very high	98.5	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.007	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-58.1	-29.8	178.6	66	0	0	0	0	114.8	A53 Y59 A60 A81 C84	A53-S57 WeakPolarHBondContact O-CB 3.42Å; A53-S57 PolarHBondContact O-N 2.62Å; A53-S57 PolarHBondContact O-OG 3.03Å; S57-Y59 PolarHBondContact O-N 2.95Å; S57-A60 PolarHBondContact O-N 2.81Å; S57-A60 VanDerWaalsContact O-N 3.1Å; S57-A81 WeakPolarHBondContact OG-CB 3.46Å; S57-A81 PolarHBondContact OG-N 3.27Å; S57-C84 VanDerWaalsContact O-CB 3.27Å; S57-C84 WeakPolarHBondContact O-CB 3.47Å
58	P	98.7	Very high	98.5	Very high	65 Å²	65	22.1 Å²	22.1	42%	0.422	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-57.2	-22.2	174	-26	35.4	0	0	0	114.5	L56 A81	L56-P58 VanDerWaalsContact C-N 3.3Å; P58-A81 HydrophobicContact CB-CB 4.34Å; P58-A81 HydrophobicContact CG-CB 3.94Å
59	Y	98.7	Very high	98.5	Very high	82 Å²	82	22.3 Å²	22.3	32%	0.322	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-100.9	-8.2	-177.4	-53.2	-83.4	0	0	0	113.5	R11 L56 S57 A274 Q278	R11-Y59 PolarHBondContact NH1-O 3.06Å; L56-Y59 PolarHBondContact O-N 2.78Å; S57-Y59 PolarHBondContact O-N 2.95Å; Y59-A274 HydrophobicContact CD2-CB 4.08Å; Y59-A274 HydrophobicContact CE2-CB 3.67Å; Y59-Q278 HydrophobicContact CD1-CB 3.97Å; Y59-Q278 HydrophobicContact CD1-CG 4.23Å; Y59-Q278 HydrophobicContact CE1-CB 4.46Å
60	A	98.9	Very high	98.5	Very high	4 Å²	4	22.3 Å²	22.3	3%	0.033	11%	0.113	C	C	.	.			trans	-104.9	145.4	-179.2	0	0	0	0	0	112	A17 L19 S57 C84 L277	A17-A60 CarbonylContact O-C 3.59Å; A17-A60 WeakPolarHBondContact O-CA 3.49Å; A17-A60 WeakPolarHBondContact O-CB 3.27Å; L19-A60 HydrophobicContact CB-CB 3.96Å; S57-A60 PolarHBondContact O-N 2.81Å; S57-A60 VanDerWaalsContact O-N 3.1Å; A60-C84 WeakPolarHBondContact O-CB 3.24Å; A60-C84 PolarHBondContact O-SG 3.32Å; A60-L277 HydrophobicContact CB-CD2 4.28Å
61	S	98.9	Very high	98.5	Very high	8 Å²	8	22.8 Å²	22.8	6%	0.056	12%	0.115	C	C	.	.	S	Bend	trans	-73.6	-30.5	170.5	59.1	0	0	0	0	112.5	I9 T10 A17 A85	I9-S61 VanDerWaalsContact O-CB 3.25Å; I9-S61 WeakPolarHBondContact O-CB 3.49Å; I9-S61 PolarHBondContact O-OG 3.21Å; T10-S61 VanDerWaalsContact C-CB 3.41Å; A17-S61 PolarHBondContact N-OG 3.15Å; A17-S61 PolarHBondContact O-N 3.4Å; A17-S61 PolarHBondContact O-OG 3.08Å; S61-A85 PolarHBondContact O-N 2.82Å
62	A	99	Very high	98.5	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	157.1	171.6	0	0	0	0	0	111.6	I9 M18 L19 C84 A85 I87	I9-A62 HydrophobicContact CB-CB 3.82Å; I9-A62 HydrophobicContact CG2-CB 3.92Å; M18-A62 CarbonylContact C-O 3.53Å; M18-A62 VanDerWaalsContact CA-O 3.22Å; M18-A62 WeakPolarHBondContact CA-O 3.48Å; M18-A62 HydrophobicContact CB-CB 4.47Å; M18-A62 WeakPolarHBondContact CB-O 3.41Å; M18-A62 HydrophobicContact CG-CB 3.93Å; M18-A62 HydrophobicContact SD-CB 4.05Å; L19-A62 PolarHBondContact N-O 2.96Å; A62-C84 VanDerWaalsContact CA-SG 3.56Å; A62-A85 CarbonylContact C-O 3.37Å; A62-A85 WeakPolarHBondContact CA-O 3.46Å; A62-A85 HydrophobicContact CB-CB 4Å; A62-A85 WeakPolarHBondContact CB-O 3.38Å; A62-I87 HydrophobicContact CB-CD1 3.72Å; A62-I87 HydrophobicContact CB-CG1 3.94Å
63	I	98.9	Very high	98.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	132	176	-171.9	176.5	0	0	0	110.7	L19 V21 A53 V65 I80 A85 I87	L19-I63 HydrophobicContact CB-CB 4.46Å; L19-I63 HydrophobicContact CB-CG1 4.16Å; L19-I63 HydrophobicContact CD2-CD1 3.78Å; L19-I63 HydrophobicContact CD2-CG1 4.06Å; L19-I63 HydrophobicContact CG-CD1 4.36Å; L19-I63 HydrophobicContact CG-CG1 4.13Å; L19-I63 CarbonylContact O-C 3.56Å; L19-I63 VanDerWaalsContact O-CA 3.27Å; L19-I63 WeakPolarHBondContact O-CA 3.47Å; V21-I63 HydrophobicContact CG2-CD1 3.95Å; V21-I63 HydrophobicContact CG2-CG1 4.09Å; A53-I63 HydrophobicContact CB-CD1 3.71Å; I63-V65 HydrophobicContact CD1-CG1 4.45Å; I63-V65 HydrophobicContact CG1-CG1 4.31Å; I63-I80 HydrophobicContact CG2-CB 4.46Å; I63-I80 HydrophobicContact CG2-CD1 3.55Å; I63-I80 HydrophobicContact CG2-CG1 3.79Å; I63-I80 HydrophobicContact CG2-CG2 3.83Å; I63-A85 PolarHBondContact N-O 3.13Å; I63-I87 PolarHBondContact O-N 3.33Å
64	L	99	Very high	98.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	118.8	176	170	62.7	0	0	0	110.7	L19 A20 V21 D22 I87 A89 K124 L250	L19-L64 PolarHBondContact O-N 2.82Å; A20-L64 HydrophobicContact CB-CB 4.45Å; A20-L64 HydrophobicContact CB-CD2 4.33Å; V21-L64 VanDerWaalsContact CG2-O 3.31Å; V21-L64 WeakPolarHBondContact CG2-O 3.1Å; V21-L64 PolarHBondContact N-O 2.93Å; D22-L64 HydrophobicContact CB-CD1 4.35Å; D22-L64 HydrophobicContact CB-CD2 4.33Å; D22-L64 HydrophobicContact CB-CG 3.86Å; D22-L64 PolarHBondContact N-O 2.9Å; L64-I87 WeakPolarHBondContact CA-O 3.22Å; L64-I87 HydrophobicContact CB-CB 4.15Å; L64-I87 HydrophobicContact CB-CD1 4.49Å; L64-I87 HydrophobicContact CB-CG2 4.43Å; L64-I87 HydrophobicContact CD1-CB 4.09Å; L64-I87 HydrophobicContact CD1-CG2 3.66Å; L64-A89 HydrophobicContact CD1-CB 4.21Å; L64-K124 HydrophobicContact CD1-CB 3.85Å; L64-K124 HydrophobicContact CD1-CD 4.28Å; L64-K124 HydrophobicContact CD1-CG 4.36Å; L64-K124 HydrophobicContact CD2-CB 4.42Å; L64-K124 HydrophobicContact CD2-CD 3.94Å; L64-K124 HydrophobicContact CD2-CG 4.07Å; L64-L250 HydrophobicContact CB-CD1 4.15Å; L64-L250 HydrophobicContact CD2-CD2 4.01Å
65	V	98.9	Very high	98.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	156.2	-178.8	-61.4	0	0	0	0	111.5	V21 I63 Y71 V74 M86 I87 V88 A89	V21-V65 HydrophobicContact CG2-CG1 3.91Å; I63-V65 HydrophobicContact CD1-CG1 4.45Å; I63-V65 HydrophobicContact CG1-CG1 4.31Å; V65-Y71 HydrophobicContact CG2-CD2 4.1Å; V65-V74 HydrophobicContact CG1-CG2 4.27Å; V65-V74 HydrophobicContact CG2-CG2 4.42Å; V65-M86 HydrophobicContact CG2-CG 4.09Å; V65-M86 HydrophobicContact CG2-SD 4.23Å; V65-I87 WeakPolarHBondContact CG2-O 3.47Å; V65-I87 PolarHBondContact N-O 2.84Å; V65-V88 HydrophobicContact CG2-CG2 4.23Å; V65-A89 PolarHBondContact O-N 3.33Å
66	D	98.7	Very high	98.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.166	C	C	.	.			trans	-106.7	149.1	176.1	68.8	-80.4	0	0	0	112.6	D22 R24 K49 Q68 F69 C70 Y71 A89	D22-D66 HydrophobicContact CB-CB 4.02Å; R24-D66 HydrophobicContact CG-CB 4.45Å; K49-D66 IonicContact NZ-OD1 2.96Å; K49-D66 PolarHBondContact NZ-OD1 2.88Å; D66-Q68 VanDerWaalsContact C-N 3.28Å; D66-Q68 PolarHBondContact O-N 2.81Å; D66-Q68 WeakPolarHBondContact OD2-CA 3.25Å; D66-Q68 WeakPolarHBondContact OD2-CB 3.39Å; D66-Q68 PolarHBondContact OD2-N 3.32Å; D66-Q68 VanDerWaalsContact OD2-N 3.14Å; D66-F69 WeakPolarHBondContact OD2-CD2 3.5Å; D66-F69 PolarHBondContact OD2-N 2.73Å; D66-C70 PolarHBondContact O-N 3.2Å; D66-Y71 WeakPolarHBondContact O-CB 3.27Å; D66-Y71 PolarHBondContact O-N 2.83Å; D66-A89 HydrophobicContact CB-CB 4.44Å
67	Q	97.2	Very high	98.6	Very high	54 Å²	54	40.3 Å²	40.3	25%	0.252	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-28.9	176.5	-70	-174.2	86.2	0	0	113.5	Y71 V88 D107	Q67-Y71 HydrophobicContact CG-CD1 4.37Å; Q67-V88 HydrophobicContact CG-CG1 3.91Å; Q67-D107 PolarHBondContact NE2-OD2 2.64Å
68	Q	97.8	Very high	98.5	Very high	100 Å²	100	47 Å²	47	47%	0.467	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-38.9	-170.3	-175.3	177.4	-14	0	0	112.2	D66	D66-Q68 VanDerWaalsContact C-N 3.28Å; D66-Q68 PolarHBondContact O-N 2.81Å; D66-Q68 WeakPolarHBondContact OD2-CA 3.25Å; D66-Q68 WeakPolarHBondContact OD2-CB 3.39Å; D66-Q68 PolarHBondContact OD2-N 3.32Å; D66-Q68 VanDerWaalsContact OD2-N 3.14Å
69	F	98.5	Very high	98.5	Very high	3 Å²	3	44.1 Å²	44.1	1%	0.013	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-28.1	-171.3	-62.6	-64.5	0	0	0	115.7	R24 R28 D42 L45 T46 K49 D66 Q73	R24-F69 HydrophobicContact CB-CD2 4.31Å; R24-F69 HydrophobicContact CB-CE2 3.73Å; R24-F69 HydrophobicContact CG-CD2 4.22Å; R24-F69 HydrophobicContact CG-CE2 4.06Å; R28-F69 VanDerWaalsContact NH2-CZ 3.33Å; D42-F69 HydrophobicContact CB-CD1 4.27Å; D42-F69 HydrophobicContact CB-CE1 4.05Å; L45-F69 HydrophobicContact CB-CD1 4.37Å; L45-F69 HydrophobicContact CB-CG 4.4Å; L45-F69 HydrophobicContact CD1-CD1 4.24Å; L45-F69 HydrophobicContact CD1-CD2 4.41Å; L45-F69 HydrophobicContact CD1-CE1 3.91Å; L45-F69 HydrophobicContact CD1-CE2 4.07Å; L45-F69 HydrophobicContact CD1-CG 4.48Å; L45-F69 HydrophobicContact CD1-CZ 3.8Å; T46-F69 WeakPolarHBondContact CB-O 3.19Å; T46-F69 VanDerWaalsContact CG2-O 3.26Å; T46-F69 WeakPolarHBondContact CG2-O 3.49Å; T46-F69 PolarHBondContact OG1-O 3.37Å; K49-F69 HydrophobicContact CD-CB 3.65Å; D66-F69 WeakPolarHBondContact OD2-CD2 3.5Å; D66-F69 PolarHBondContact OD2-N 2.73Å; F69-Q73 PolarHBondContact O-NE2 3.29Å; F69-Q73 PolarHBondContact O-OE1 3.42Å
70	C	98.5	Very high	98.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.3	-16.8	-170.6	68.2	0	0	0	0	117.9	K49 D66 R72 Q73 V74	K49-C70 HydrophobicContact CB-CB 3.59Å; K49-C70 HydrophobicContact CD-CB 3.83Å; K49-C70 HydrophobicContact CG-CB 4.3Å; D66-C70 PolarHBondContact O-N 3.2Å; C70-R72 PolarHBondContact O-N 3.32Å; C70-Q73 VanDerWaalsContact C-OE1 3.25Å; C70-Q73 VanDerWaalsContact CA-OE1 3.23Å; C70-Q73 PolarHBondContact O-N 2.58Å; C70-Q73 VanDerWaalsContact O-N 3.16Å; C70-Q73 PolarHBondContact O-OE1 2.99Å; C70-V74 HydrophobicContact CB-CG1 4.28Å; C70-V74 WeakPolarHBondContact O-CG1 3.46Å; C70-V74 WeakPolarHBondContact O-CG2 3.38Å; C70-V74 PolarHBondContact O-N 3.33Å
71	Y	98.7	Very high	98.5	Very high	14 Å²	14	42.8 Å²	42.8	6%	0.055	21%	0.206	C	C	.	.	H	α-helix	trans	-52	-51.7	-176.7	169.7	-115.5	0	0	0	113.3	V65 D66 Q67 Q73 V74 V75 M86 V88 I115 D118	V65-Y71 HydrophobicContact CG2-CD2 4.1Å; D66-Y71 WeakPolarHBondContact O-CB 3.27Å; D66-Y71 PolarHBondContact O-N 2.83Å; Q67-Y71 HydrophobicContact CG-CD1 4.37Å; Y71-Q73 PolarHBondContact O-N 3.37Å; Y71-V74 WeakPolarHBondContact O-CG2 3.49Å; Y71-V75 HydrophobicContact CD2-CG2 4.39Å; Y71-V75 HydrophobicContact CE2-CG2 4.02Å; Y71-V75 WeakPolarHBondContact O-CG2 3.42Å; Y71-V75 PolarHBondContact O-N 3.25Å; Y71-M86 HydrophobicContact CD2-CE 4.46Å; Y71-M86 HydrophobicContact CD2-SD 3.97Å; Y71-M86 HydrophobicContact CE2-CE 3.73Å; Y71-M86 HydrophobicContact CE2-SD 3.84Å; Y71-V88 HydrophobicContact CD2-CG1 4.29Å; Y71-V88 HydrophobicContact CD2-CG2 3.68Å; Y71-V88 HydrophobicContact CE2-CG2 3.66Å; Y71-V88 HydrophobicContact CG-CG1 4.47Å; Y71-I115 HydrophobicContact CE1-CG1 4.37Å; Y71-I115 HydrophobicContact CE2-CG1 4.28Å; Y71-I115 WeakPolarHBondContact OH-CA 3.35Å; Y71-I115 WeakPolarHBondContact OH-CG1 3.45Å; Y71-D118 WeakPolarHBondContact OH-CB 3.41Å; Y71-D118 PolarHBondContact OH-OD2 2.73Å
72	R	98.2	Very high	98.5	Very high	178 Å²	178	53 Å²	53	67%	0.672	25%	0.249	S	C	*	.	H	α-helix	trans	-64.5	-44.6	180	-69.4	-174.7	179.6	165.1	0.8	111.2	C70 V74 V75 E76	C70-R72 PolarHBondContact O-N 3.32Å; R72-V74 PolarHBondContact O-N 3.41Å; R72-V75 PolarHBondContact O-N 2.84Å; R72-E76 WeakPolarHBondContact O-CB 3.45Å; R72-E76 VanDerWaalsContact O-CG 3.31Å; R72-E76 WeakPolarHBondContact O-CG 3.29Å; R72-E76 PolarHBondContact O-N 3.04Å
73	Q	98.7	Very high	98.4	Very high	52 Å²	52	57.1 Å²	57.1	24%	0.243	28%	0.278	C	S	.	.	H	α-helix	trans	-66	-37	-176.2	-61.5	88.2	-22.7	0	0	112	T46 V50 F69 C70 Y71 V75 Q77	T46-Q73 HydrophobicContact CG2-CB 4.17Å; T46-Q73 HydrophobicContact CG2-CG 3.69Å; V50-Q73 HydrophobicContact CG2-CB 3.72Å; F69-Q73 PolarHBondContact O-NE2 3.29Å; F69-Q73 PolarHBondContact O-OE1 3.42Å; C70-Q73 VanDerWaalsContact C-OE1 3.25Å; C70-Q73 VanDerWaalsContact CA-OE1 3.23Å; C70-Q73 PolarHBondContact O-N 2.58Å; C70-Q73 VanDerWaalsContact O-N 3.16Å; C70-Q73 PolarHBondContact O-OE1 2.99Å; Y71-Q73 PolarHBondContact O-N 3.37Å; Q73-V75 VanDerWaalsContact C-N 3.35Å; Q73-Q77 VanDerWaalsContact O-CB 3.25Å; Q73-Q77 WeakPolarHBondContact O-CB 3.27Å; Q73-Q77 VanDerWaalsContact O-CG 3.27Å; Q73-Q77 WeakPolarHBondContact O-CG 3.25Å; Q73-Q77 PolarHBondContact O-N 3.13Å
74	V	98.7	Very high	98.4	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.012	28%	0.281	C	S	.	.	H	α-helix	trans	-70.1	-33.2	176.8	-62.8	0	0	0	0	112.2	V50 A53 V65 C70 Y71 R72 N78 A79 I80 M86	V50-V74 HydrophobicContact CG2-CG1 4.12Å; A53-V74 HydrophobicContact CB-CG1 3.98Å; V65-V74 HydrophobicContact CG1-CG2 4.27Å; V65-V74 HydrophobicContact CG2-CG2 4.42Å; C70-V74 HydrophobicContact CB-CG1 4.28Å; C70-V74 WeakPolarHBondContact O-CG1 3.46Å; C70-V74 WeakPolarHBondContact O-CG2 3.38Å; C70-V74 PolarHBondContact O-N 3.33Å; Y71-V74 WeakPolarHBondContact O-CG2 3.49Å; R72-V74 PolarHBondContact O-N 3.41Å; V74-N78 PolarHBondContact O-N 3.15Å; V74-A79 HydrophobicContact CB-CB 3.95Å; V74-A79 HydrophobicContact CG1-CB 4.07Å; V74-A79 PolarHBondContact O-N 2.86Å; V74-I80 HydrophobicContact CB-CD1 4.29Å; V74-I80 HydrophobicContact CB-CG1 4.24Å; V74-I80 HydrophobicContact CG2-CD1 3.92Å; V74-I80 HydrophobicContact CG2-CG1 4.41Å; V74-M86 HydrophobicContact CG2-SD 4.33Å
75	V	98.4	Very high	98.4	Very high	43 Å²	43	58.2 Å²	58.2	26%	0.261	29%	0.287	S	S	.	.	H	α-helix	trans	-71.2	-53.7	174.8	173.9	0	0	0	0	110.2	Y71 R72 Q73 Q77 N78 M86 D118	Y71-V75 HydrophobicContact CD2-CG2 4.39Å; Y71-V75 HydrophobicContact CE2-CG2 4.02Å; Y71-V75 WeakPolarHBondContact O-CG2 3.42Å; Y71-V75 PolarHBondContact O-N 3.25Å; R72-V75 PolarHBondContact O-N 2.84Å; Q73-V75 VanDerWaalsContact C-N 3.35Å; V75-Q77 VanDerWaalsContact C-N 3.27Å; V75-Q77 PolarHBondContact O-N 3.44Å; V75-N78 PolarHBondContact O-N 2.86Å; V75-M86 HydrophobicContact CG2-CE 3.95Å; V75-M86 HydrophobicContact CG2-SD 4.04Å; V75-D118 HydrophobicContact CG1-CB 4.21Å; V75-D118 HydrophobicContact CG2-CB 4.11Å
76	E	98.4	Very high	98.4	Very high	143 Å²	143	58.8 Å²	58.8	67%	0.668	29%	0.289	S	S	*	.	H	α-helix	trans	-57.7	-38.3	-178.7	-73.5	171	179.9	0	0	112.6	R72	R72-E76 WeakPolarHBondContact O-CB 3.45Å; R72-E76 VanDerWaalsContact O-CG 3.31Å; R72-E76 WeakPolarHBondContact O-CG 3.29Å; R72-E76 PolarHBondContact O-N 3.04Å
77	Q	98.4	Very high	98.4	Very high	97 Å²	97	58.8 Å²	58.8	45%	0.453	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	1.6	-179.6	-60.9	-175.9	39	0	0	113.9	Q73 V75 A79	Q73-Q77 VanDerWaalsContact O-CB 3.25Å; Q73-Q77 WeakPolarHBondContact O-CB 3.27Å; Q73-Q77 VanDerWaalsContact O-CG 3.27Å; Q73-Q77 WeakPolarHBondContact O-CG 3.25Å; Q73-Q77 PolarHBondContact O-N 3.13Å; V75-Q77 VanDerWaalsContact C-N 3.27Å; V75-Q77 PolarHBondContact O-N 3.44Å; Q77-A79 PolarHBondContact O-N 2.81Å
78	N	98.3	Very high	98.5	Very high	142 Å²	142	56.2 Å²	56.2	76%	0.759	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	44.5	-171.1	-62.6	-78.4	0	0	0	112.2	V74 V75 I80	V74-N78 PolarHBondContact O-N 3.15Å; V75-N78 PolarHBondContact O-N 2.86Å; N78-I80 VanDerWaalsContact C-N 3.29Å; N78-I80 PolarHBondContact O-N 3.39Å
79	A	98.5	Very high	98.6	Very high	4 Å²	4	51.5 Å²	51.5	3%	0.033	26%	0.255	C	S	.	.			trans	-75.2	-16.8	-170.8	0	0	0	0	0	113.6	V50 A53 K54 V74 Q77	V50-A79 HydrophobicContact CG1-CB 4.02Å; A53-A79 CarbonylContact C-O 3.45Å; A53-A79 VanDerWaalsContact C-O 3.25Å; A53-A79 HydrophobicContact CB-CB 4.2Å; K54-A79 VanDerWaalsContact CA-O 3.24Å; K54-A79 WeakPolarHBondContact CA-O 3.23Å; K54-A79 HydrophobicContact CG-CB 3.76Å; K54-A79 PolarHBondContact N-O 3.32Å; V74-A79 HydrophobicContact CB-CB 3.95Å; V74-A79 HydrophobicContact CG1-CB 4.07Å; V74-A79 PolarHBondContact O-N 2.86Å; Q77-A79 PolarHBondContact O-N 2.81Å
80	I	98.8	Very high	98.6	Very high	33 Å²	33	51.3 Å²	51.3	17%	0.169	26%	0.255	C	S	.	.	S	Bend	trans	-93.4	127.6	179.3	-59.4	172.8	0	0	0	108.9	A53 I63 V74 N78 C84 M86	A53-I80 HydrophobicContact CB-CG1 4.49Å; I63-I80 HydrophobicContact CG2-CB 4.46Å; I63-I80 HydrophobicContact CG2-CD1 3.55Å; I63-I80 HydrophobicContact CG2-CG1 3.79Å; I63-I80 HydrophobicContact CG2-CG2 3.83Å; V74-I80 HydrophobicContact CB-CD1 4.29Å; V74-I80 HydrophobicContact CB-CG1 4.24Å; V74-I80 HydrophobicContact CG2-CD1 3.92Å; V74-I80 HydrophobicContact CG2-CG1 4.41Å; N78-I80 VanDerWaalsContact C-N 3.29Å; N78-I80 PolarHBondContact O-N 3.39Å; I80-C84 HydrophobicContact CG2-CB 3.86Å; I80-C84 VanDerWaalsContact CG2-O 3.31Å; I80-C84 WeakPolarHBondContact CG2-O 3.38Å; I80-M86 HydrophobicContact CD1-CB 3.89Å; I80-M86 HydrophobicContact CD1-CG 3.76Å; I80-M86 HydrophobicContact CD1-SD 3.7Å
81	A	98.6	Very high	98.6	Very high	25 Å²	25	51.3 Å²	51.3	21%	0.207	26%	0.255	C	S	.	.			trans	-59.9	144.7	176.6	0	0	0	0	0	111.3	S57 P58 S83 C84	S57-A81 WeakPolarHBondContact OG-CB 3.46Å; S57-A81 PolarHBondContact OG-N 3.27Å; P58-A81 HydrophobicContact CB-CB 4.34Å; P58-A81 HydrophobicContact CG-CB 3.94Å; A81-S83 PolarHBondContact O-N 3.16Å; A81-C84 HydrophobicContact CB-CB 4.42Å; A81-C84 WeakPolarHBondContact O-CB 3.43Å; A81-C84 PolarHBondContact O-N 3.49Å
82	K	98.3	Very high	98.6	Very high	222 Å²	222	54.1 Å²	54.1	97%	0.965	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.3	-179.6	-62.9	-175.2	-179.3	-179.9	0	114.2	C84	K82-C84 VanDerWaalsContact C-N 3.3Å
83	S	98.1	Very high	98.6	Very high	87 Å²	87	47.6 Å²	47.6	61%	0.608	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-4.3	176.9	55.1	0	0	0	0	113.9	A81	A81-S83 PolarHBondContact O-N 3.16Å
84	C	98.8	Very high	98.5	Very high	10 Å²	10	48.3 Å²	48.3	7%	0.068	25%	0.25	C	C	.	.	S	Bend	trans	-117.4	122.9	-174.1	-166	0	0	0	0	109.7	S57 A60 A62 I80 A81 K82	S57-C84 VanDerWaalsContact O-CB 3.27Å; S57-C84 WeakPolarHBondContact O-CB 3.47Å; A60-C84 WeakPolarHBondContact O-CB 3.24Å; A60-C84 PolarHBondContact O-SG 3.32Å; A62-C84 VanDerWaalsContact CA-SG 3.56Å; I80-C84 HydrophobicContact CG2-CB 3.86Å; I80-C84 VanDerWaalsContact CG2-O 3.31Å; I80-C84 WeakPolarHBondContact CG2-O 3.38Å; A81-C84 HydrophobicContact CB-CB 4.42Å; A81-C84 WeakPolarHBondContact O-CB 3.43Å; A81-C84 PolarHBondContact O-N 3.49Å; K82-C84 VanDerWaalsContact C-N 3.3Å
85	A	98.9	Very high	98.5	Very high	14 Å²	14	52.7 Å²	52.7	12%	0.116	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	155	175.6	0	0	0	0	0	112.2	D8 I9 S61 A62 I63 K121	D8-A85 VanDerWaalsContact O-CB 3.25Å; D8-A85 WeakPolarHBondContact O-CB 3.15Å; I9-A85 HydrophobicContact CG2-CB 3.88Å; S61-A85 PolarHBondContact O-N 2.82Å; A62-A85 CarbonylContact C-O 3.37Å; A62-A85 WeakPolarHBondContact CA-O 3.46Å; A62-A85 HydrophobicContact CB-CB 4Å; A62-A85 WeakPolarHBondContact CB-O 3.38Å; I63-A85 PolarHBondContact N-O 3.13Å; A85-K121 HydrophobicContact CB-CB 4.23Å; A85-K121 HydrophobicContact CB-CG 3.83Å
86	M	98.9	Very high	98.4	Very high	11 Å²	11	51.8 Å²	51.8	5%	0.054	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129	177	-177.2	170.7	58.3	0	0	111.3	V65 Y71 V74 V75 I80 V88 D118 K121	V65-M86 HydrophobicContact CG2-CG 4.09Å; V65-M86 HydrophobicContact CG2-SD 4.23Å; Y71-M86 HydrophobicContact CD2-CE 4.46Å; Y71-M86 HydrophobicContact CD2-SD 3.97Å; Y71-M86 HydrophobicContact CE2-CE 3.73Å; Y71-M86 HydrophobicContact CE2-SD 3.84Å; V74-M86 HydrophobicContact CG2-SD 4.33Å; V75-M86 HydrophobicContact CG2-CE 3.95Å; V75-M86 HydrophobicContact CG2-SD 4.04Å; I80-M86 HydrophobicContact CD1-CB 3.89Å; I80-M86 HydrophobicContact CD1-CG 3.76Å; I80-M86 HydrophobicContact CD1-SD 3.7Å; M86-V88 HydrophobicContact CG-CG2 4.18Å; M86-V88 HydrophobicContact SD-CG2 4.47Å; M86-D118 HydrophobicContact CE-CB 4.2Å; M86-D118 WeakPolarHBondContact CE-O 3.37Å; M86-K121 PolarHBondContact O-N 2.94Å
87	I	98.9	Very high	98.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	135.2	170.3	-47.6	169.6	0	0	0	107	I9 M18 A62 I63 L64 V65 A122 K124 I157	I9-I87 HydrophobicContact CG2-CG1 4.49Å; M18-I87 HydrophobicContact SD-CD1 3.82Å; A62-I87 HydrophobicContact CB-CD1 3.72Å; A62-I87 HydrophobicContact CB-CG1 3.94Å; I63-I87 PolarHBondContact O-N 3.33Å; L64-I87 WeakPolarHBondContact CA-O 3.22Å; L64-I87 HydrophobicContact CB-CB 4.15Å; L64-I87 HydrophobicContact CB-CD1 4.49Å; L64-I87 HydrophobicContact CB-CG2 4.43Å; L64-I87 HydrophobicContact CD1-CB 4.09Å; L64-I87 HydrophobicContact CD1-CG2 3.66Å; V65-I87 WeakPolarHBondContact CG2-O 3.47Å; V65-I87 PolarHBondContact N-O 2.84Å; I87-A122 WeakPolarHBondContact CA-O 3.48Å; I87-A122 HydrophobicContact CB-CB 4.32Å; I87-A122 HydrophobicContact CG1-CB 4.04Å; I87-A122 HydrophobicContact CG2-CB 3.93Å; I87-K124 HydrophobicContact CG2-CB 3.97Å; I87-I157 HydrophobicContact CD1-CD1 3.72Å; I87-I157 HydrophobicContact CG1-CD1 4.28Å; I87-I157 HydrophobicContact CG2-CD1 3.85Å
88	V	98.9	Very high	98	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	131.5	178.6	-175.2	0	0	0	0	110.6	V65 Q67 Y71 M86 A90 I110 I115 A122 L123 K124	V65-V88 HydrophobicContact CG2-CG2 4.23Å; Q67-V88 HydrophobicContact CG-CG1 3.91Å; Y71-V88 HydrophobicContact CD2-CG1 4.29Å; Y71-V88 HydrophobicContact CD2-CG2 3.68Å; Y71-V88 HydrophobicContact CE2-CG2 3.66Å; Y71-V88 HydrophobicContact CG-CG1 4.47Å; M86-V88 HydrophobicContact CG-CG2 4.18Å; M86-V88 HydrophobicContact SD-CG2 4.47Å; V88-A90 PolarHBondContact O-N 3.23Å; V88-I110 HydrophobicContact CG1-CD1 4.31Å; V88-I115 HydrophobicContact CB-CD1 3.94Å; V88-I115 HydrophobicContact CB-CG1 4.47Å; V88-I115 HydrophobicContact CB-CG2 4.25Å; V88-I115 HydrophobicContact CG1-CD1 3.79Å; V88-I115 HydrophobicContact CG1-CG1 4.45Å; V88-I115 HydrophobicContact CG2-CD1 4.22Å; V88-I115 HydrophobicContact CG2-CG1 4.2Å; V88-I115 HydrophobicContact CG2-CG2 3.71Å; V88-A122 PolarHBondContact N-O 2.9Å; V88-L123 HydrophobicContact CB-CD2 4.01Å; V88-L123 VanDerWaalsContact O-CA 3.29Å; V88-L123 WeakPolarHBondContact O-CA 3.43Å; V88-K124 PolarHBondContact O-N 3.49Å
89	A	98.8	Very high	97.7	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.008	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	127.2	173.7	0	0	0	0	0	110.6	D22 L64 V65 D66	D22-A89 HydrophobicContact CB-CB 4.23Å; L64-A89 HydrophobicContact CD1-CB 4.21Å; V65-A89 PolarHBondContact O-N 3.33Å; D66-A89 HydrophobicContact CB-CB 4.44Å
90	A	98.8	Very high	97.5	Very high	0 Å²	0	49 Å²	49	0%	0	29%	0.292	C	S	.	.			trans	-110.3	14.9	178.8	0	0	0	0	0	112.4	V88 I106 D107 I110 L123 K124 F145	V88-A90 PolarHBondContact O-N 3.23Å; A90-I106 WeakPolarHBondContact O-CA 3.38Å; A90-D107 PolarHBondContact O-N 2.89Å; A90-I110 HydrophobicContact CB-CD1 3.54Å; A90-L123 HydrophobicContact CB-CB 4.21Å; A90-L123 HydrophobicContact CB-CD1 4.37Å; A90-K124 PolarHBondContact N-O 3.39Å; A90-F145 HydrophobicContact CB-CD2 4.33Å; A90-F145 HydrophobicContact CB-CE2 3.79Å
91	D	98.5	Very high	97.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	141	175.1	26.3	77	0	0	0	111.8	R24 F93 V104 V105 K124 L125 L126	R24-D91 VanDerWaalsContact CZ-O 3.28Å; R24-D91 IonicContact CZ-OD1 2.93Å; R24-D91 PolarHBondContact NH1-O 2.96Å; R24-D91 PolarHBondContact NH2-O 3.32Å; R24-D91 IonicContact NH2-OD1 2.82Å; R24-D91 PolarHBondContact NH2-OD1 2.8Å; D91-F93 HydrophobicContact CB-CD1 4.07Å; D91-F93 HydrophobicContact CB-CE1 3.61Å; D91-F93 HydrophobicContact CB-CZ 4.41Å; D91-F93 VanDerWaalsContact CG-CE1 3.44Å; D91-F93 WeakPolarHBondContact OD1-CE1 3.47Å; D91-F93 WeakPolarHBondContact OD1-CZ 3.27Å; D91-V104 HydrophobicContact CB-CG2 3.59Å; D91-V105 CarbonylContact C-O 3.55Å; D91-V105 WeakPolarHBondContact CA-O 3.19Å; D91-K124 IonicContact OD1-NZ 3.25Å; D91-K124 WeakPolarHBondContact OD2-CD 3.22Å; D91-K124 WeakPolarHBondContact OD2-CE 3.43Å; D91-K124 IonicContact OD2-NZ 2.74Å; D91-K124 PolarHBondContact OD2-NZ 3.42Å; D91-L125 HydrophobicContact CB-CD1 4.15Å; D91-L126 HydrophobicContact CB-CB 4.36Å; D91-L126 PolarHBondContact OD2-N 2.88Å
92	E	98.2	Very high	97.3	Very high	73 Å²	73	48 Å²	48	34%	0.341	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	119.4	160.9	-179.7	171.1	-159	0	0	108.2	V104 V105 D107	E92-V104 WeakPolarHBondContact O-CA 3.06Å; E92-V105 HydrophobicContact CB-CG2 3.85Å; E92-V105 HydrophobicContact CG-CG2 4.43Å; E92-V105 PolarHBondContact N-O 2.83Å; E92-V105 PolarHBondContact O-N 3.03Å; E92-D107 HydrophobicContact CB-CB 4.13Å
93	F	98	Very high	97.3	Very high	40 Å²	40	39.1 Å²	39.1	18%	0.175	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	125.4	179.7	-66.4	-20.9	0	0	0	110.7	R24 D91 V101 V104 L126	R24-F93 HydrophobicContact CG-CD2 4.35Å; R24-F93 HydrophobicContact CG-CE2 4.39Å; D91-F93 HydrophobicContact CB-CD1 4.07Å; D91-F93 HydrophobicContact CB-CE1 3.61Å; D91-F93 HydrophobicContact CB-CZ 4.41Å; D91-F93 VanDerWaalsContact CG-CE1 3.44Å; D91-F93 WeakPolarHBondContact OD1-CE1 3.47Å; D91-F93 WeakPolarHBondContact OD1-CZ 3.27Å; F93-V101 HydrophobicContact CB-CB 4.38Å; F93-V101 HydrophobicContact CB-CG1 3.94Å; F93-V101 HydrophobicContact CB-CG2 3.85Å; F93-V101 HydrophobicContact CD1-CG1 3.57Å; F93-V101 HydrophobicContact CD1-CG2 4.29Å; F93-V101 HydrophobicContact CD2-CG1 4.42Å; F93-V101 HydrophobicContact CD2-CG2 3.61Å; F93-V101 HydrophobicContact CE1-CG1 4.17Å; F93-V101 HydrophobicContact CE2-CG2 4.23Å; F93-V101 HydrophobicContact CG-CB 4.32Å; F93-V101 HydrophobicContact CG-CG1 3.72Å; F93-V101 HydrophobicContact CG-CG2 3.66Å; F93-V104 HydrophobicContact CD1-CG2 4Å; F93-V104 HydrophobicContact CE1-CG2 4.18Å; F93-L126 HydrophobicContact CD1-CD2 4.24Å; F93-L126 HydrophobicContact CE1-CB 3.97Å; F93-L126 HydrophobicContact CE1-CD2 3.5Å; F93-L126 VanDerWaalsContact CE1-CD2 3.5Å; F93-L126 HydrophobicContact CE1-CG 4.38Å; F93-L126 HydrophobicContact CZ-CD2 4.04Å
94	I	98.1	Very high	97.3	Very high	67 Å²	67	35.8 Å²	35.8	34%	0.344	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	116.4	-179.2	-57.8	165.2	0	0	0	107.9	D102 S103 V105	I94-D102 PolarHBondContact O-N 2.96Å; I94-S103 PolarHBondContact N-O 2.74Å; I94-S103 PolarHBondContact O-N 2.69Å; I94-V105 HydrophobicContact CD1-CG1 4.06Å; I94-V105 HydrophobicContact CD1-CG2 4.17Å
95	P	97.1	Very high	97.2	Very high	94 Å²	94	38 Å²	38	61%	0.61	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	156.1	177.2	31.3	-35.3	0	0	0	111.2	I99 P100	P95-I99 WeakPolarHBondContact CA-O 3.17Å; P95-P100 WeakPolarHBondContact CA-O 3.16Å
96	G	96.8	Very high	97.2	Very high	25 Å²	25	37.6 Å²	37.6	26%	0.258	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	178.1	160.6	-180	0	0	0	0	0	110.6	G98 I99 D102	G96-G98 PolarHBondContact O-N 3Å; G96-I99 PolarHBondContact N-O 3.01Å; G96-I99 VanDerWaalsContact N-O 3.14Å; G96-I99 WeakPolarHBondContact O-CG1 3.41Å; G96-I99 PolarHBondContact O-N 2.87Å; G96-I99 VanDerWaalsContact O-O 3.12Å; G96-D102 VanDerWaalsContact CA-CB 3.5Å; G96-D102 WeakPolarHBondContact O-CB 3.43Å
97	N	94.2	Very high	97.2	Very high	132 Å²	132	37.9 Å²	37.9	71%	0.706	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	32.9	176.2	-56	-52.6	0	0	0	114.7	I99 D102	N97-I99 VanDerWaalsContact C-N 3.28Å; N97-I99 PolarHBondContact O-N 2.83Å; N97-D102 PolarHBondContact ND2-OD1 3.34Å; N97-D102 PolarHBondContact ND2-OD2 3.17Å
98	G	94	Very high	97.2	Very high	89 Å²	89	45.8 Å²	45.8	92%	0.918	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	6.6	-180	0	0	0	0	0	115.7	G96	G96-G98 PolarHBondContact O-N 3Å
99	I	93.3	Very high	97	Very high	71 Å²	71	53.6 Å²	53.6	36%	0.364	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	149.7	176.4	60.3	169.7	0	0	0	111.2	P95 G96 N97 V101 D102 R163	P95-I99 WeakPolarHBondContact CA-O 3.17Å; G96-I99 PolarHBondContact N-O 3.01Å; G96-I99 VanDerWaalsContact N-O 3.14Å; G96-I99 WeakPolarHBondContact O-CG1 3.41Å; G96-I99 PolarHBondContact O-N 2.87Å; G96-I99 VanDerWaalsContact O-O 3.12Å; N97-I99 VanDerWaalsContact C-N 3.28Å; N97-I99 PolarHBondContact O-N 2.83Å; I99-V101 VanDerWaalsContact C-N 3.29Å; I99-V101 PolarHBondContact O-N 2.9Å; I99-D102 HydrophobicContact CD1-CB 4.28Å; I99-D102 HydrophobicContact CG1-CB 4.03Å; I99-R163 VanDerWaalsContact CD1-NH1 3.31Å
100	P	93.6	Very high	96.9	Very high	35 Å²	35	54.5 Å²	54.5	23%	0.227	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	-21	-174.3	29.4	-39.6	0	0	0	114.3	E25 M29 P95	E25-P100 HydrophobicContact CB-CB 3.72Å; M29-P100 HydrophobicContact CE-CG 3.59Å; P95-P100 WeakPolarHBondContact CA-O 3.16Å
101	V	96	Very high	96.9	Very high	19 Å²	19	58.5 Å²	58.5	12%	0.115	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	85.3	-179.1	-167.4	0	0	0	0	108	F93 I99 L126 L128 R163	F93-V101 HydrophobicContact CB-CB 4.38Å; F93-V101 HydrophobicContact CB-CG1 3.94Å; F93-V101 HydrophobicContact CB-CG2 3.85Å; F93-V101 HydrophobicContact CD1-CG1 3.57Å; F93-V101 HydrophobicContact CD1-CG2 4.29Å; F93-V101 HydrophobicContact CD2-CG1 4.42Å; F93-V101 HydrophobicContact CD2-CG2 3.61Å; F93-V101 HydrophobicContact CE1-CG1 4.17Å; F93-V101 HydrophobicContact CE2-CG2 4.23Å; F93-V101 HydrophobicContact CG-CB 4.32Å; F93-V101 HydrophobicContact CG-CG1 3.72Å; F93-V101 HydrophobicContact CG-CG2 3.66Å; I99-V101 VanDerWaalsContact C-N 3.29Å; I99-V101 PolarHBondContact O-N 2.9Å; V101-L126 HydrophobicContact CG1-CD2 4.06Å; V101-L128 HydrophobicContact CG1-CD1 4.46Å; V101-R163 VanDerWaalsContact O-CZ 3.28Å; V101-R163 PolarHBondContact O-NH1 2.9Å; V101-R163 PolarHBondContact O-NH2 3.06Å
102	D	97.1	Very high	96.8	Very high	17 Å²	17	58.9 Å²	58.9	9%	0.091	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-32.2	177	-177.8	69.6	0	0	0	112	I94 G96 N97 I99 L128 R130 R166	I94-D102 PolarHBondContact O-N 2.96Å; G96-D102 VanDerWaalsContact CA-CB 3.5Å; G96-D102 WeakPolarHBondContact O-CB 3.43Å; N97-D102 PolarHBondContact ND2-OD1 3.34Å; N97-D102 PolarHBondContact ND2-OD2 3.17Å; I99-D102 HydrophobicContact CD1-CB 4.28Å; I99-D102 HydrophobicContact CG1-CB 4.03Å; D102-L128 WeakPolarHBondContact O-CD1 3.45Å; D102-R130 PolarHBondContact O-NH1 2.79Å; D102-R130 PolarHBondContact O-NH2 3.21Å; D102-R130 IonicContact OD1-NH2 2.78Å; D102-R130 PolarHBondContact OD1-NH2 2.96Å; D102-R166 PolarHBondContact O-NH2 3.33Å; D102-R166 IonicContact OD1-NH1 2.68Å; D102-R166 PolarHBondContact OD1-NH1 3.39Å; D102-R166 VanDerWaalsContact OD1-NH1 3.11Å; D102-R166 IonicContact OD2-CZ 2.73Å; D102-R166 IonicContact OD2-NH1 2.67Å; D102-R166 PolarHBondContact OD2-NH1 3.05Å; D102-R166 IonicContact OD2-NH2 2.83Å
103	S	97.6	Very high	96.8	Very high	36 Å²	36	59.8 Å²	59.8	25%	0.252	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	160.4	173.7	-56	0	0	0	0	110.1	I94 R166	I94-S103 PolarHBondContact N-O 2.74Å; I94-S103 PolarHBondContact O-N 2.69Å; S103-R166 PolarHBondContact OG-NH2 3.2Å
104	V	98.3	Very high	96.8	Very high	18 Å²	18	61.6 Å²	61.6	11%	0.109	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	141.8	-179.5	64.4	0	0	0	0	109.9	D91 E92 F93 L126 L128	D91-V104 HydrophobicContact CB-CG2 3.59Å; E92-V104 WeakPolarHBondContact O-CA 3.06Å; F93-V104 HydrophobicContact CD1-CG2 4Å; F93-V104 HydrophobicContact CE1-CG2 4.18Å; V104-L126 VanDerWaalsContact CG1-O 3.28Å; V104-L126 WeakPolarHBondContact CG1-O 3.38Å; V104-L126 HydrophobicContact CG2-CB 4.26Å; V104-L126 WeakPolarHBondContact CG2-O 3.49Å; V104-L128 HydrophobicContact CG1-CB 4.3Å; V104-L128 HydrophobicContact CG1-CD1 4.45Å; V104-L128 HydrophobicContact CG1-CG 3.92Å
105	V	98.5	Very high	96.8	Very high	57 Å²	57	58.5 Å²	58.5	35%	0.345	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	169.4	171.6	-61.2	0	0	0	0	109.5	D91 E92 I94 D107	D91-V105 CarbonylContact C-O 3.55Å; D91-V105 WeakPolarHBondContact CA-O 3.19Å; E92-V105 HydrophobicContact CB-CG2 3.85Å; E92-V105 HydrophobicContact CG-CG2 4.43Å; E92-V105 PolarHBondContact N-O 2.83Å; E92-V105 PolarHBondContact O-N 3.03Å; I94-V105 HydrophobicContact CD1-CG1 4.06Å; I94-V105 HydrophobicContact CD1-CG2 4.17Å; V105-D107 PolarHBondContact O-N 3.23Å
106	I	98.7	Very high	96.8	Very high	5 Å²	5	57.2 Å²	57.2	3%	0.026	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	127.9	168.6	-60.8	170.4	0	0	0	108.8	A90 R108 L125 M141 E144 F145 L148	A90-I106 WeakPolarHBondContact O-CA 3.38Å; I106-R108 PolarHBondContact O-N 3Å; I106-R108 VanDerWaalsContact O-N 3.13Å; I106-L125 HydrophobicContact CG1-CD1 4.06Å; I106-L125 HydrophobicContact CG1-CD2 4.19Å; I106-M141 HydrophobicContact CD1-CG 4.04Å; I106-M141 HydrophobicContact CG1-CG 3.89Å; I106-E144 HydrophobicContact CD1-CB 3.97Å; I106-E144 HydrophobicContact CD1-CG 3.83Å; I106-F145 HydrophobicContact CD1-CB 3.89Å; I106-F145 HydrophobicContact CG1-CB 4.41Å; I106-L148 HydrophobicContact CG2-CD2 4.36Å
107	D	98.4	Very high	96.8	Very high	17 Å²	17	62 Å²	62	9%	0.091	33%	0.33	C	S	.	.			trans	-66.3	109.6	174.8	-180	7	0	0	0	110.4	Q67 A90 E92 V105 K109 I110	Q67-D107 PolarHBondContact NE2-OD2 2.64Å; A90-D107 PolarHBondContact O-N 2.89Å; E92-D107 HydrophobicContact CB-CB 4.13Å; V105-D107 PolarHBondContact O-N 3.23Å; D107-K109 PolarHBondContact O-N 3.5Å; D107-K109 VanDerWaalsContact OD1-CB 3.27Å; D107-K109 WeakPolarHBondContact OD1-CB 3.38Å; D107-K109 PolarHBondContact OD1-N 2.8Å; D107-I110 VanDerWaalsContact O-CG2 3.24Å; D107-I110 WeakPolarHBondContact O-CG2 3.41Å; D107-I110 PolarHBondContact O-N 3.34Å
108	R	97.5	Very high	97	Very high	166 Å²	166	58.3 Å²	58.3	63%	0.626	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-9.8	-179.8	-56.7	-55	-176	174.3	-2.8	113.7	I106 I110 E144	I106-R108 PolarHBondContact O-N 3Å; I106-R108 VanDerWaalsContact O-N 3.13Å; R108-I110 VanDerWaalsContact C-N 3.35Å; R108-E144 IonicContact CZ-OE1 3.65Å; R108-E144 VanDerWaalsContact CZ-OE1 3.22Å; R108-E144 IonicContact CZ-OE2 3.2Å; R108-E144 IonicContact NH1-OE1 2.7Å; R108-E144 PolarHBondContact NH1-OE1 2.87Å; R108-E144 IonicContact NH1-OE2 2.9Å; R108-E144 VanDerWaalsContact NH2-CD 3.27Å; R108-E144 IonicContact NH2-OE1 2.82Å; R108-E144 PolarHBondContact NH2-OE1 3.5Å; R108-E144 IonicContact NH2-OE2 3.36Å; R108-E144 PolarHBondContact NH2-OE2 3.2Å
109	K	96.2	Very high	97.1	Very high	164 Å²	164	56 Å²	56	71%	0.713	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-10.7	177.2	-58.5	170.7	-173.5	162.2	0	112.4	D107	D107-K109 PolarHBondContact O-N 3.5Å; D107-K109 VanDerWaalsContact OD1-CB 3.27Å; D107-K109 WeakPolarHBondContact OD1-CB 3.38Å; D107-K109 PolarHBondContact OD1-N 2.8Å
110	I	96.7	Very high	97.4	Very high	19 Å²	19	52.8 Å²	52.8	10%	0.097	27%	0.27	C	S	.	.			trans	-66.2	138.3	-179.8	-156	160.2	0	0	0	110.9	V88 A90 D107 R108 P112 I115 L123 L148	V88-I110 HydrophobicContact CG1-CD1 4.31Å; A90-I110 HydrophobicContact CB-CD1 3.54Å; D107-I110 VanDerWaalsContact O-CG2 3.24Å; D107-I110 WeakPolarHBondContact O-CG2 3.41Å; D107-I110 PolarHBondContact O-N 3.34Å; R108-I110 VanDerWaalsContact C-N 3.35Å; I110-P112 HydrophobicContact CG2-CG 4.46Å; I110-P112 WeakPolarHBondContact O-CD 3.49Å; I110-I115 HydrophobicContact CD1-CD1 3.52Å; I110-I115 HydrophobicContact CG1-CD1 3.31Å; I110-L123 HydrophobicContact CD1-CD1 4.3Å; I110-L123 HydrophobicContact CD1-CD2 3.84Å; I110-L148 HydrophobicContact CG2-CD2 4.05Å
111	N	97.7	Very high	97.6	Very high	84 Å²	84	54.9 Å²	54.9	45%	0.449	28%	0.276	S	S	.	.			trans	-116	94.3	172.8	-176.2	-17	0	0	0	109.1	L113 Q114 I115	N111-L113 PolarHBondContact O-N 2.96Å; N111-L113 WeakPolarHBondContact OD1-CB 3.2Å; N111-L113 PolarHBondContact OD1-N 2.89Å; N111-Q114 HydrophobicContact CB-CB 3.98Å; N111-Q114 PolarHBondContact O-N 3.1Å; N111-Q114 VanDerWaalsContact O-N 3.17Å; N111-Q114 PolarHBondContact OD1-N 3.47Å; N111-Q114 VanDerWaalsContact OD1-N 3.15Å; N111-I115 WeakPolarHBondContact O-CG1 3.43Å; N111-I115 PolarHBondContact O-N 2.82Å
112	P	97.4	Very high	97.8	Very high	9 Å²	9	54 Å²	54	6%	0.058	27%	0.27	C	S	.	.	H	α-helix	trans	-61.3	-30.7	-177	-21.4	31.2	0	0	0	113.3	I110 I115 K116 L123 L148 H152 L154	I110-P112 HydrophobicContact CG2-CG 4.46Å; I110-P112 WeakPolarHBondContact O-CD 3.49Å; P112-I115 PolarHBondContact O-N 3.48Å; P112-K116 WeakPolarHBondContact O-CB 3.28Å; P112-K116 PolarHBondContact O-N 2.79Å; P112-L123 HydrophobicContact CB-CD1 4.46Å; P112-L123 HydrophobicContact CG-CD1 4.43Å; P112-L148 HydrophobicContact CG-CD1 3.55Å; P112-L148 HydrophobicContact CG-CD2 4.18Å; P112-L148 HydrophobicContact CG-CG 3.75Å; P112-H152 HydrophobicContact CB-CB 3.95Å; P112-L154 HydrophobicContact CB-CD1 3.93Å
113	L	97	Very high	97.8	Very high	92 Å²	92	53.2 Å²	53.2	48%	0.482	27%	0.266	S	S	.	.	H	α-helix	trans	-66.6	-45.1	176.9	-177.2	64.3	0	0	0	111	N111 K116 Q117	N111-L113 PolarHBondContact O-N 2.96Å; N111-L113 WeakPolarHBondContact OD1-CB 3.2Å; N111-L113 PolarHBondContact OD1-N 2.89Å; L113-K116 PolarHBondContact O-N 2.84Å; L113-Q117 VanDerWaalsContact O-CG 3.29Å; L113-Q117 WeakPolarHBondContact O-CG 3.47Å; L113-Q117 PolarHBondContact O-N 3.04Å
114	Q	98	Very high	97.9	Very high	77 Å²	77	51.5 Å²	51.5	36%	0.36	25%	0.254	S	S	.	.	H	α-helix	trans	-62.5	-44	174.8	-175.5	63.5	57.4	0	0	110.9	N111 K116 Q117 D118	N111-Q114 HydrophobicContact CB-CB 3.98Å; N111-Q114 PolarHBondContact O-N 3.1Å; N111-Q114 VanDerWaalsContact O-N 3.17Å; N111-Q114 PolarHBondContact OD1-N 3.47Å; N111-Q114 VanDerWaalsContact OD1-N 3.15Å; Q114-K116 VanDerWaalsContact C-N 3.28Å; Q114-K116 PolarHBondContact O-N 3.02Å; Q114-Q117 CarbonylContact O-C 3.52Å; Q114-Q117 WeakPolarHBondContact O-CA 3.33Å; Q114-Q117 WeakPolarHBondContact O-CB 3.33Å; Q114-Q117 PolarHBondContact O-N 3.05Å; Q114-D118 PolarHBondContact NE2-OD1 2.94Å; Q114-D118 PolarHBondContact NE2-OD2 3.04Å; Q114-D118 VanDerWaalsContact O-CG 3.3Å; Q114-D118 PolarHBondContact O-N 3.1Å
115	I	98.1	Very high	97.9	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-58.1	-43.4	177.6	-71.2	166	0	0	0	111.5	Y71 V88 I110 N111 P112 D118 G119 G120 L123	Y71-I115 HydrophobicContact CE1-CG1 4.37Å; Y71-I115 HydrophobicContact CE2-CG1 4.28Å; Y71-I115 WeakPolarHBondContact OH-CA 3.35Å; Y71-I115 WeakPolarHBondContact OH-CG1 3.45Å; V88-I115 HydrophobicContact CB-CD1 3.94Å; V88-I115 HydrophobicContact CB-CG1 4.47Å; V88-I115 HydrophobicContact CB-CG2 4.25Å; V88-I115 HydrophobicContact CG1-CD1 3.79Å; V88-I115 HydrophobicContact CG1-CG1 4.45Å; V88-I115 HydrophobicContact CG2-CD1 4.22Å; V88-I115 HydrophobicContact CG2-CG1 4.2Å; V88-I115 HydrophobicContact CG2-CG2 3.71Å; I110-I115 HydrophobicContact CD1-CD1 3.52Å; I110-I115 HydrophobicContact CG1-CD1 3.31Å; N111-I115 WeakPolarHBondContact O-CG1 3.43Å; N111-I115 PolarHBondContact O-N 2.82Å; P112-I115 PolarHBondContact O-N 3.48Å; I115-D118 PolarHBondContact O-N 2.85Å; I115-G119 PolarHBondContact O-N 2.65Å; I115-G120 VanDerWaalsContact O-CA 3.3Å; I115-G120 WeakPolarHBondContact O-CA 3.45Å; I115-G120 PolarHBondContact O-N 3.21Å; I115-L123 HydrophobicContact CD1-CD2 3.77Å; I115-L123 HydrophobicContact CG2-CD2 4.11Å
116	K	97.2	Very high	98	Very high	68 Å²	68	48.6 Å²	48.6	30%	0.296	24%	0.236	S	C	.	.	H	α-helix	trans	-64.3	-40.3	174.8	-175.7	172	-172.9	174	0	112.6	N2 P112 L113 Q114 D118 G119 H152 L154	N2-K116 PolarHBondContact OD1-NZ 3.46Å; P112-K116 WeakPolarHBondContact O-CB 3.28Å; P112-K116 PolarHBondContact O-N 2.79Å; L113-K116 PolarHBondContact O-N 2.84Å; Q114-K116 VanDerWaalsContact C-N 3.28Å; Q114-K116 PolarHBondContact O-N 3.02Å; K116-D118 VanDerWaalsContact C-N 3.3Å; K116-G119 PolarHBondContact O-N 2.88Å; K116-G119 VanDerWaalsContact O-N 3.1Å; K116-H152 WeakPolarHBondContact CD-O 3.23Å; K116-H152 WeakPolarHBondContact CE-O 3.31Å; K116-H152 PolarHBondContact NZ-O 3.5Å; K116-L154 HydrophobicContact CB-CD2 4.32Å
117	Q	97.4	Very high	98	Very high	126 Å²	126	48.4 Å²	48.4	59%	0.589	24%	0.235	S	C	*	.	H	α-helix	trans	-64.2	-36.5	176.8	-73.6	170	-11	0	0	112	L113 Q114 G119	L113-Q117 VanDerWaalsContact O-CG 3.29Å; L113-Q117 WeakPolarHBondContact O-CG 3.47Å; L113-Q117 PolarHBondContact O-N 3.04Å; Q114-Q117 CarbonylContact O-C 3.52Å; Q114-Q117 WeakPolarHBondContact O-CA 3.33Å; Q114-Q117 WeakPolarHBondContact O-CB 3.33Å; Q114-Q117 PolarHBondContact O-N 3.05Å; Q117-G119 PolarHBondContact O-N 2.94Å
118	D	98	Very high	98	Very high	54 Å²	54	48 Å²	48	29%	0.289	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	4.7	174.8	-62.3	-19.7	0	0	0	112.6	Y71 V75 M86 Q114 I115 K116	Y71-D118 WeakPolarHBondContact OH-CB 3.41Å; Y71-D118 PolarHBondContact OH-OD2 2.73Å; V75-D118 HydrophobicContact CG1-CB 4.21Å; V75-D118 HydrophobicContact CG2-CB 4.11Å; M86-D118 HydrophobicContact CE-CB 4.2Å; M86-D118 WeakPolarHBondContact CE-O 3.37Å; Q114-D118 PolarHBondContact NE2-OD1 2.94Å; Q114-D118 PolarHBondContact NE2-OD2 3.04Å; Q114-D118 VanDerWaalsContact O-CG 3.3Å; Q114-D118 PolarHBondContact O-N 3.1Å; I115-D118 PolarHBondContact O-N 2.85Å; K116-D118 VanDerWaalsContact C-N 3.3Å
119	G	97.5	Very high	98	Very high	40 Å²	40	40.9 Å²	40.9	41%	0.412	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	6.2	176.4	0	0	0	0	0	115.2	I115 K116 Q117	I115-G119 PolarHBondContact O-N 2.65Å; K116-G119 PolarHBondContact O-N 2.88Å; K116-G119 VanDerWaalsContact O-N 3.1Å; Q117-G119 PolarHBondContact O-N 2.94Å
120	G	98.3	Very high	98.2	Very high	3 Å²	3	33.6 Å²	33.6	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	139	172.4	0	0	0	0	0	112.3	I115 L154	I115-G120 VanDerWaalsContact O-CA 3.3Å; I115-G120 WeakPolarHBondContact O-CA 3.45Å; I115-G120 PolarHBondContact O-N 3.21Å; G120-L154 VanDerWaalsContact O-CD2 3.25Å; G120-L154 WeakPolarHBondContact O-CD2 3.35Å
121	K	98.6	Very high	98.2	Very high	80 Å²	80	36.2 Å²	36.2	35%	0.348	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-21.1	-175.1	-61.8	-57.1	-166.2	150.8	0	113.6	D8 I9 A85 M86 V155	D8-K121 HydrophobicContact CB-CB 4.41Å; D8-K121 HydrophobicContact CB-CD 4.28Å; D8-K121 HydrophobicContact CB-CG 4.25Å; D8-K121 WeakPolarHBondContact OD2-CD 3.12Å; D8-K121 WeakPolarHBondContact OD2-CE 3.44Å; D8-K121 IonicContact OD2-NZ 2.74Å; D8-K121 PolarHBondContact OD2-NZ 3.47Å; I9-K121 HydrophobicContact CG2-CB 4.06Å; A85-K121 HydrophobicContact CB-CB 4.23Å; A85-K121 HydrophobicContact CB-CG 3.83Å; M86-K121 PolarHBondContact O-N 2.94Å; K121-V155 PolarHBondContact O-N 2.92Å
122	A	98.9	Very high	98.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	154.4	-174.9	0	0	0	0	0	110.8	I9 I87 V88 V155 I157	I9-A122 HydrophobicContact CG2-CB 4.5Å; I87-A122 WeakPolarHBondContact CA-O 3.48Å; I87-A122 HydrophobicContact CB-CB 4.32Å; I87-A122 HydrophobicContact CG1-CB 4.04Å; I87-A122 HydrophobicContact CG2-CB 3.93Å; V88-A122 PolarHBondContact N-O 2.9Å; A122-V155 CarbonylContact C-O 3.59Å; A122-V155 WeakPolarHBondContact CA-O 3.48Å; A122-V155 HydrophobicContact CB-CB 3.71Å; A122-V155 HydrophobicContact CB-CG1 4.25Å; A122-V155 WeakPolarHBondContact CB-O 3.46Å; A122-I157 HydrophobicContact CB-CD1 3.93Å; A122-I157 HydrophobicContact CB-CG1 4.3Å
123	L	98.9	Very high	98.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	159.8	161.8	-57.3	-179.7	0	0	0	109.3	V88 A90 I110 P112 I115 F145 L148 L154 V155 I157	V88-L123 HydrophobicContact CB-CD2 4.01Å; V88-L123 VanDerWaalsContact O-CA 3.29Å; V88-L123 WeakPolarHBondContact O-CA 3.43Å; A90-L123 HydrophobicContact CB-CB 4.21Å; A90-L123 HydrophobicContact CB-CD1 4.37Å; I110-L123 HydrophobicContact CD1-CD1 4.3Å; I110-L123 HydrophobicContact CD1-CD2 3.84Å; P112-L123 HydrophobicContact CB-CD1 4.46Å; P112-L123 HydrophobicContact CG-CD1 4.43Å; I115-L123 HydrophobicContact CD1-CD2 3.77Å; I115-L123 HydrophobicContact CG2-CD2 4.11Å; L123-F145 HydrophobicContact CB-CE2 3.63Å; L123-F145 HydrophobicContact CB-CZ 3.81Å; L123-F145 HydrophobicContact CD1-CE2 4.45Å; L123-L148 HydrophobicContact CD1-CD2 4.17Å; L123-L148 HydrophobicContact CD1-CG 4.47Å; L123-L154 HydrophobicContact CD1-CD1 4.09Å; L123-L154 HydrophobicContact CD2-CD1 4.18Å; L123-L154 HydrophobicContact CG-CD1 3.85Å; L123-V155 PolarHBondContact N-O 2.93Å; L123-I157 WeakPolarHBondContact O-CB 3.43Å; L123-I157 PolarHBondContact O-N 3.2Å
124	K	98.9	Very high	98.4	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	140.9	173.8	172.8	-90.5	168.3	171.7	0	111.2	D22 L64 I87 V88 A90 D91 I157 E159	D22-K124 IonicContact OD2-NZ 3.22Å; L64-K124 HydrophobicContact CD1-CB 3.85Å; L64-K124 HydrophobicContact CD1-CD 4.28Å; L64-K124 HydrophobicContact CD1-CG 4.36Å; L64-K124 HydrophobicContact CD2-CB 4.42Å; L64-K124 HydrophobicContact CD2-CD 3.94Å; L64-K124 HydrophobicContact CD2-CG 4.07Å; I87-K124 HydrophobicContact CG2-CB 3.97Å; V88-K124 PolarHBondContact O-N 3.49Å; A90-K124 PolarHBondContact N-O 3.39Å; D91-K124 IonicContact OD1-NZ 3.25Å; D91-K124 WeakPolarHBondContact OD2-CD 3.22Å; D91-K124 WeakPolarHBondContact OD2-CE 3.43Å; D91-K124 IonicContact OD2-NZ 2.74Å; D91-K124 PolarHBondContact OD2-NZ 3.42Å; K124-I157 CarbonylContact C-O 3.58Å; K124-I157 VanDerWaalsContact CA-O 3.23Å; K124-I157 WeakPolarHBondContact CA-O 3.15Å; K124-I157 HydrophobicContact CB-CB 4.12Å; K124-I157 HydrophobicContact CG-CB 4.36Å; K124-I157 HydrophobicContact CG-CG2 4.26Å; K124-E159 WeakPolarHBondContact CE-OE2 3.47Å; K124-E159 IonicContact NZ-OE2 3.61Å; K124-E159 PolarHBondContact NZ-OE2 3.09Å
125	L	98.9	Very high	98.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	121.3	173.9	179.3	68.9	0	0	0	111.1	D91 I106 V127 M141 F145 I157 I158 E159	D91-L125 HydrophobicContact CB-CD1 4.15Å; I106-L125 HydrophobicContact CG1-CD1 4.06Å; I106-L125 HydrophobicContact CG1-CD2 4.19Å; L125-V127 HydrophobicContact CD2-CG2 4.17Å; L125-V127 HydrophobicContact CG-CG2 4.24Å; L125-M141 HydrophobicContact CD2-CE 4.09Å; L125-M141 HydrophobicContact CD2-CG 4.06Å; L125-M141 HydrophobicContact CD2-SD 4.36Å; L125-F145 HydrophobicContact CB-CD1 3.71Å; L125-F145 HydrophobicContact CB-CD2 3.83Å; L125-F145 HydrophobicContact CB-CE1 3.68Å; L125-F145 HydrophobicContact CB-CE2 3.83Å; L125-F145 HydrophobicContact CB-CG 3.77Å; L125-F145 HydrophobicContact CB-CZ 3.75Å; L125-F145 HydrophobicContact CD2-CB 3.65Å; L125-F145 HydrophobicContact CD2-CD1 4.05Å; L125-F145 HydrophobicContact CD2-CD2 4.3Å; L125-F145 HydrophobicContact CD2-CG 3.73Å; L125-F145 HydrophobicContact CG-CG 4.34Å; L125-I157 PolarHBondContact N-O 2.99Å; L125-I158 CarbonylContact O-C 3.52Å; L125-E159 PolarHBondContact O-N 3.36Å
126	L	98.9	Very high	98.4	Very high	14 Å²	14	40.4 Å²	40.4	7%	0.073	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	133.5	164.5	-176.2	77.1	0	0	0	110.1	D91 F93 V101 V104 L128 E159 V161	D91-L126 HydrophobicContact CB-CB 4.36Å; D91-L126 PolarHBondContact OD2-N 2.88Å; F93-L126 HydrophobicContact CD1-CD2 4.24Å; F93-L126 HydrophobicContact CE1-CB 3.97Å; F93-L126 HydrophobicContact CE1-CD2 3.5Å; F93-L126 VanDerWaalsContact CE1-CD2 3.5Å; F93-L126 HydrophobicContact CE1-CG 4.38Å; F93-L126 HydrophobicContact CZ-CD2 4.04Å; V101-L126 HydrophobicContact CG1-CD2 4.06Å; V104-L126 VanDerWaalsContact CG1-O 3.28Å; V104-L126 WeakPolarHBondContact CG1-O 3.38Å; V104-L126 HydrophobicContact CG2-CB 4.26Å; V104-L126 WeakPolarHBondContact CG2-O 3.49Å; L126-L128 HydrophobicContact CD2-CD2 3.96Å; L126-L128 HydrophobicContact CD2-CG 4.44Å; L126-L128 HydrophobicContact CG-CD2 4.33Å; L126-E159 WeakPolarHBondContact CA-O 3.43Å; L126-E159 HydrophobicContact CD1-CB 4.24Å; L126-E159 HydrophobicContact CD1-CG 3.91Å; L126-E159 WeakPolarHBondContact CD1-O 3.49Å; L126-V161 HydrophobicContact CD1-CB 3.97Å; L126-V161 HydrophobicContact CD1-CG2 3.46Å; L126-V161 VanDerWaalsContact CD1-CG2 3.46Å
127	V	98.9	Very high	98.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	109	173.6	-174.3	0	0	0	0	108.3	L125 W129 R138 M141 V142 E159 P160 V161 L184	L125-V127 HydrophobicContact CD2-CG2 4.17Å; L125-V127 HydrophobicContact CG-CG2 4.24Å; V127-W129 PolarHBondContact O-N 3.26Å; V127-R138 HydrophobicContact CG1-CB 4.17Å; V127-R138 HydrophobicContact CG1-CG 4.13Å; V127-M141 HydrophobicContact CB-CE 4.35Å; V127-M141 HydrophobicContact CG1-CE 4Å; V127-M141 HydrophobicContact CG2-CE 3.97Å; V127-V142 HydrophobicContact CG2-CG2 3.76Å; V127-E159 PolarHBondContact N-O 2.85Å; V127-P160 CarbonylContact O-C 3.56Å; V127-P160 VanDerWaalsContact O-CA 3.29Å; V127-P160 WeakPolarHBondContact O-CA 3.37Å; V127-V161 PolarHBondContact O-N 3.09Å; V127-L184 HydrophobicContact CB-CD1 4.39Å; V127-L184 HydrophobicContact CG1-CD1 3.93Å
128	L	98.8	Very high	98.6	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	125.8	174.3	-64.5	-177	0	0	0	109.3	V101 D102 V104 L126 R138 V161 R163	V101-L128 HydrophobicContact CG1-CD1 4.46Å; D102-L128 WeakPolarHBondContact O-CD1 3.45Å; V104-L128 HydrophobicContact CG1-CB 4.3Å; V104-L128 HydrophobicContact CG1-CD1 4.45Å; V104-L128 HydrophobicContact CG1-CG 3.92Å; L126-L128 HydrophobicContact CD2-CD2 3.96Å; L126-L128 HydrophobicContact CD2-CG 4.44Å; L126-L128 HydrophobicContact CG-CD2 4.33Å; L128-R138 WeakPolarHBondContact O-CD 3.34Å; L128-V161 WeakPolarHBondContact CA-O 3.26Å; L128-V161 HydrophobicContact CD2-CB 4.35Å; L128-V161 HydrophobicContact CD2-CG1 4.45Å; L128-R163 HydrophobicContact CD2-CG 4.09Å
129	W	98.8	Very high	98.6	Very high	18 Å²	18	38.4 Å²	38.4	7%	0.068	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121.7	177.9	-167.1	96.4	0	0	0	110.1	V127 V161 V162 R163 A176 D179 A180 E183	V127-W129 PolarHBondContact O-N 3.26Å; W129-V161 PolarHBondContact N-O 3.47Å; W129-V162 HydrophobicContact CE3-CG1 4.42Å; W129-R163 PolarHBondContact O-N 3.07Å; W129-A176 HydrophobicContact CE3-CB 4.06Å; W129-A176 HydrophobicContact CZ3-CB 3.68Å; W129-D179 HydrophobicContact CH2-CB 3.8Å; W129-D179 HydrophobicContact CZ2-CB 3.71Å; W129-A180 HydrophobicContact CB-CB 4.03Å; W129-A180 HydrophobicContact CD2-CB 3.98Å; W129-A180 HydrophobicContact CG-CB 3.59Å; W129-E183 PolarHBondContact NE1-OE2 3.01Å
130	R	98.7	Very high	98.7	Very high	11 Å²	11	40.5 Å²	40.5	4%	0.042	21%	0.211	C	C	.	.			trans	-128.3	140.9	170.9	-66.8	-173.5	-176.6	90.5	-7.2	109	D102 D132 E133 R138 R163 P164 R166	D102-R130 PolarHBondContact O-NH1 2.79Å; D102-R130 PolarHBondContact O-NH2 3.21Å; D102-R130 IonicContact OD1-NH2 2.78Å; D102-R130 PolarHBondContact OD1-NH2 2.96Å; R130-D132 PolarHBondContact O-N 3.35Å; R130-E133 HydrophobicContact CB-CB 4.16Å; R130-E133 HydrophobicContact CB-CG 3.92Å; R130-E133 WeakPolarHBondContact CB-OE2 3.1Å; R130-E133 WeakPolarHBondContact CD-OE2 3.27Å; R130-E133 WeakPolarHBondContact CG-OE2 3.15Å; R130-E133 IonicContact CZ-OE1 3.45Å; R130-E133 IonicContact CZ-OE2 2.69Å; R130-E133 IonicContact NH1-OE1 3.52Å; R130-E133 PolarHBondContact NH1-OE1 3.46Å; R130-E133 IonicContact NH1-OE2 3.48Å; R130-E133 PolarHBondContact NH1-OE2 3.38Å; R130-E133 PolarHBondContact O-N 2.9Å; R130-R138 PolarHBondContact O-NH1 2.79Å; R130-R163 HydrophobicContact CG-CB 3.71Å; R130-P164 VanDerWaalsContact CD-O 3.28Å; R130-P164 WeakPolarHBondContact CD-O 3.28Å; R130-P164 WeakPolarHBondContact CG-O 3.43Å; R130-P164 PolarHBondContact NE-O 3.03Å; R130-R166 VanDerWaalsContact CZ-NE 3.34Å
131	S	98.3	Very high	98.7	Very high	74 Å²	74	41.9 Å²	41.9	52%	0.517	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-20.3	-175.5	52.8	0	0	0	0	114.2
132	D	97.9	Very high	98.7	Very high	66 Å²	66	38 Å²	38	35%	0.353	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	9.6	-179.9	71.5	-28.6	0	0	0	113.9	R130 P165 R166 R167	R130-D132 PolarHBondContact O-N 3.35Å; D132-P165 HydrophobicContact CB-CB 4.19Å; D132-P165 VanDerWaalsContact OD1-CA 3.23Å; D132-P165 WeakPolarHBondContact OD1-CA 3.4Å; D132-P165 WeakPolarHBondContact OD1-CB 3.47Å; D132-R166 VanDerWaalsContact CG-N 3.29Å; D132-R166 PolarHBondContact OD1-N 3.48Å; D132-R166 WeakPolarHBondContact OD2-CA 3.26Å; D132-R166 WeakPolarHBondContact OD2-CB 3.36Å; D132-R166 PolarHBondContact OD2-N 2.93Å; D132-R167 PolarHBondContact OD2-N 3.43Å
133	E	98.4	Very high	98.7	Very high	54 Å²	54	45.2 Å²	45.2	25%	0.252	23%	0.232	S	C	.	.	S	Bend	trans	-102.7	151.5	172	-71.9	-178.3	151.5	0	0	110.8	R130 A135 R138 R166	R130-E133 HydrophobicContact CB-CB 4.16Å; R130-E133 HydrophobicContact CB-CG 3.92Å; R130-E133 WeakPolarHBondContact CB-OE2 3.1Å; R130-E133 WeakPolarHBondContact CD-OE2 3.27Å; R130-E133 WeakPolarHBondContact CG-OE2 3.15Å; R130-E133 IonicContact CZ-OE1 3.45Å; R130-E133 IonicContact CZ-OE2 2.69Å; R130-E133 IonicContact NH1-OE1 3.52Å; R130-E133 PolarHBondContact NH1-OE1 3.46Å; R130-E133 IonicContact NH1-OE2 3.48Å; R130-E133 PolarHBondContact NH1-OE2 3.38Å; R130-E133 PolarHBondContact O-N 2.9Å; E133-A135 PolarHBondContact O-N 3.36Å; E133-R138 PolarHBondContact O-NH1 3.18Å; E133-R166 HydrophobicContact CG-CG 4.16Å; E133-R166 IonicContact OE1-CZ 3.77Å; E133-R166 VanDerWaalsContact OE1-CZ 3.22Å; E133-R166 IonicContact OE1-NE 3.72Å; E133-R166 PolarHBondContact OE1-NE 3.1Å; E133-R166 IonicContact OE1-NH2 3.88Å; E133-R166 PolarHBondContact OE1-NH2 3.29Å
134	D	98.5	Very high	98.7	Very high	95 Å²	95	49.3 Å²	49.3	51%	0.508	25%	0.251	S	S	.	.			trans	-61.6	120.1	-176.1	-175.9	6.1	0	0	0	112.6	Q136 Q137	D134-Q136 WeakPolarHBondContact OD1-CB 3.38Å; D134-Q136 PolarHBondContact OD1-N 3.46Å; D134-Q137 HydrophobicContact CB-CB 4.01Å
135	A	98.6	Very high	98.7	Very high	36 Å²	36	49.2 Å²	49.2	30%	0.298	25%	0.251	S	S	.	.	H	α-helix	trans	-67	-35.7	175.6	0	0	0	0	0	112.3	E133 Q137 R138 L139 E183	E133-A135 PolarHBondContact O-N 3.36Å; A135-Q137 VanDerWaalsContact C-N 3.32Å; A135-Q137 PolarHBondContact O-N 3Å; A135-R138 PolarHBondContact O-N 3.31Å; A135-L139 PolarHBondContact O-N 3.14Å; A135-E183 HydrophobicContact CB-CG 4.32Å; A135-E183 WeakPolarHBondContact CB-OE2 3.14Å
136	Q	98.6	Very high	98.7	Very high	100 Å²	100	49.7 Å²	49.7	47%	0.467	25%	0.253	S	S	.	.	H	α-helix	trans	-66	-39.4	-179.7	-170.6	59.5	51.6	0	0	110.8	D134 R138 L139 D140	D134-Q136 WeakPolarHBondContact OD1-CB 3.38Å; D134-Q136 PolarHBondContact OD1-N 3.46Å; Q136-R138 VanDerWaalsContact C-N 3.28Å; Q136-R138 PolarHBondContact O-N 2.81Å; Q136-L139 PolarHBondContact O-N 3.19Å; Q136-D140 PolarHBondContact NE2-OD1 2.66Å; Q136-D140 WeakPolarHBondContact O-CB 3.49Å; Q136-D140 PolarHBondContact O-N 3.42Å
137	Q	98.6	Very high	98.7	Very high	135 Å²	135	55 Å²	55	63%	0.631	28%	0.277	S	S	*	.	H	α-helix	trans	-58.2	-39.2	174.2	-172.5	-179.5	6.3	0	0	112.5	D134 A135 M141	D134-Q137 HydrophobicContact CB-CB 4.01Å; A135-Q137 VanDerWaalsContact C-N 3.32Å; A135-Q137 PolarHBondContact O-N 3Å; Q137-M141 PolarHBondContact O-N 3.27Å; Q137-M141 VanDerWaalsContact O-N 3.13Å
138	R	98.8	Very high	98.6	Very high	16 Å²	16	57.1 Å²	57.1	6%	0.06	29%	0.288	C	S	.	.	H	α-helix	trans	-68.9	-44.7	176.2	-68.8	-172.6	-65.3	-92	3.9	111.7	V127 L128 R130 E133 A135 Q136 D140 M141 V142 E183	V127-R138 HydrophobicContact CG1-CB 4.17Å; V127-R138 HydrophobicContact CG1-CG 4.13Å; L128-R138 WeakPolarHBondContact O-CD 3.34Å; R130-R138 PolarHBondContact O-NH1 2.79Å; E133-R138 PolarHBondContact O-NH1 3.18Å; A135-R138 PolarHBondContact O-N 3.31Å; Q136-R138 VanDerWaalsContact C-N 3.28Å; Q136-R138 PolarHBondContact O-N 2.81Å; R138-D140 VanDerWaalsContact C-N 3.34Å; R138-D140 PolarHBondContact O-N 2.66Å; R138-M141 PolarHBondContact O-N 3.18Å; R138-V142 WeakPolarHBondContact O-CG2 3.34Å; R138-V142 PolarHBondContact O-N 3.45Å; R138-E183 IonicContact CZ-OE1 2.9Å; R138-E183 IonicContact CZ-OE2 3.15Å; R138-E183 IonicContact NE-OE1 2.7Å; R138-E183 PolarHBondContact NE-OE1 2.96Å; R138-E183 IonicContact NE-OE2 3.99Å; R138-E183 IonicContact NH2-OE1 3.75Å; R138-E183 PolarHBondContact NH2-OE1 3.3Å; R138-E183 IonicContact NH2-OE2 2.74Å; R138-E183 PolarHBondContact NH2-OE2 3.36Å
139	L	98.8	Very high	98.6	Very high	55 Å²	55	56.7 Å²	56.7	29%	0.288	29%	0.286	S	S	.	.	H	α-helix	trans	-61.1	-41.9	176.5	-76.8	168	0	0	0	112.1	A135 Q136 V142 K143 E183 L184	A135-L139 PolarHBondContact O-N 3.14Å; Q136-L139 PolarHBondContact O-N 3.19Å; L139-V142 PolarHBondContact O-N 2.83Å; L139-K143 WeakPolarHBondContact O-CB 3.48Å; L139-K143 PolarHBondContact O-N 3.31Å; L139-E183 HydrophobicContact CG-CG 4.44Å; L139-L184 HydrophobicContact CD2-CD2 3.93Å; L139-L184 HydrophobicContact CG-CD2 4.37Å
140	D	98.8	Very high	98.6	Very high	85 Å²	85	58 Å²	58	46%	0.455	29%	0.293	S	S	.	.	H	α-helix	trans	-64.4	-42.4	177.7	-70.7	-16	0	0	0	111.3	Q136 R138 K143 E144	Q136-D140 PolarHBondContact NE2-OD1 2.66Å; Q136-D140 WeakPolarHBondContact O-CB 3.49Å; Q136-D140 PolarHBondContact O-N 3.42Å; R138-D140 VanDerWaalsContact C-N 3.34Å; R138-D140 PolarHBondContact O-N 2.66Å; D140-K143 PolarHBondContact O-N 3.34Å; D140-E144 WeakPolarHBondContact O-CB 3.28Å; D140-E144 PolarHBondContact O-N 2.86Å
141	M	98.8	Very high	98.5	Very high	31 Å²	31	59.8 Å²	59.8	15%	0.153	31%	0.307	C	S	.	.	H	α-helix	trans	-62.4	-44.3	174.6	-172.9	-179.2	61.5	0	0	111.6	I106 L125 V127 Q137 R138 K143 E144 F145	I106-M141 HydrophobicContact CD1-CG 4.04Å; I106-M141 HydrophobicContact CG1-CG 3.89Å; L125-M141 HydrophobicContact CD2-CE 4.09Å; L125-M141 HydrophobicContact CD2-CG 4.06Å; L125-M141 HydrophobicContact CD2-SD 4.36Å; V127-M141 HydrophobicContact CB-CE 4.35Å; V127-M141 HydrophobicContact CG1-CE 4Å; V127-M141 HydrophobicContact CG2-CE 3.97Å; Q137-M141 PolarHBondContact O-N 3.27Å; Q137-M141 VanDerWaalsContact O-N 3.13Å; R138-M141 PolarHBondContact O-N 3.18Å; M141-K143 VanDerWaalsContact C-N 3.35Å; M141-K143 PolarHBondContact O-N 2.68Å; M141-E144 PolarHBondContact O-N 3.27Å; M141-F145 WeakPolarHBondContact O-CB 3.46Å; M141-F145 PolarHBondContact O-N 2.94Å
142	V	98.9	Very high	98.5	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-40.5	177	170.4	0	0	0	0	111.3	V127 R138 L139 F145 N146 I158 L184	V127-V142 HydrophobicContact CG2-CG2 3.76Å; R138-V142 WeakPolarHBondContact O-CG2 3.34Å; R138-V142 PolarHBondContact O-N 3.45Å; L139-V142 PolarHBondContact O-N 2.83Å; V142-F145 PolarHBondContact O-N 3.48Å; V142-N146 WeakPolarHBondContact O-CB 3.44Å; V142-N146 PolarHBondContact O-N 2.82Å; V142-N146 PolarHBondContact O-OD1 2.67Å; V142-I158 HydrophobicContact CG1-CG2 3.93Å; V142-I158 HydrophobicContact CG2-CG2 4.2Å; V142-L184 HydrophobicContact CG2-CD2 4.25Å
143	K	98.9	Very high	98.5	Very high	151 Å²	151	56 Å²	56	66%	0.657	28%	0.281	S	S	*	.	H	α-helix	trans	-61.9	-45.1	176.5	-177.3	178.9	177.6	-178.2	0	112	L139 D140 M141 F145 N146 E147	L139-K143 WeakPolarHBondContact O-CB 3.48Å; L139-K143 PolarHBondContact O-N 3.31Å; D140-K143 PolarHBondContact O-N 3.34Å; M141-K143 VanDerWaalsContact C-N 3.35Å; M141-K143 PolarHBondContact O-N 2.68Å; K143-F145 VanDerWaalsContact C-N 3.31Å; K143-F145 PolarHBondContact O-N 3.45Å; K143-N146 PolarHBondContact O-N 2.69Å; K143-E147 PolarHBondContact O-N 2.84Å
144	E	98.8	Very high	98.5	Very high	85 Å²	85	53.4 Å²	53.4	40%	0.397	27%	0.269	S	S	.	.	H	α-helix	trans	-60.2	-43	175.2	-178.7	175.8	-166.7	0	0	111.5	I106 R108 D140 M141 E147 L148	I106-E144 HydrophobicContact CD1-CB 3.97Å; I106-E144 HydrophobicContact CD1-CG 3.83Å; R108-E144 IonicContact CZ-OE1 3.65Å; R108-E144 VanDerWaalsContact CZ-OE1 3.22Å; R108-E144 IonicContact CZ-OE2 3.2Å; R108-E144 IonicContact NH1-OE1 2.7Å; R108-E144 PolarHBondContact NH1-OE1 2.87Å; R108-E144 IonicContact NH1-OE2 2.9Å; R108-E144 VanDerWaalsContact NH2-CD 3.27Å; R108-E144 IonicContact NH2-OE1 2.82Å; R108-E144 PolarHBondContact NH2-OE1 3.5Å; R108-E144 IonicContact NH2-OE2 3.36Å; R108-E144 PolarHBondContact NH2-OE2 3.2Å; D140-E144 WeakPolarHBondContact O-CB 3.28Å; D140-E144 PolarHBondContact O-N 2.86Å; M141-E144 PolarHBondContact O-N 3.27Å; E144-E147 PolarHBondContact O-N 2.74Å; E144-L148 PolarHBondContact O-N 3.2Å
145	F	98.9	Very high	98.6	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.6	-41	177.2	172.9	-109	0	0	0	113.2	A90 I106 L123 L125 M141 V142 K143 L148 C149 S156 I157 I158	A90-F145 HydrophobicContact CB-CD2 4.33Å; A90-F145 HydrophobicContact CB-CE2 3.79Å; I106-F145 HydrophobicContact CD1-CB 3.89Å; I106-F145 HydrophobicContact CG1-CB 4.41Å; L123-F145 HydrophobicContact CB-CE2 3.63Å; L123-F145 HydrophobicContact CB-CZ 3.81Å; L123-F145 HydrophobicContact CD1-CE2 4.45Å; L125-F145 HydrophobicContact CB-CD1 3.71Å; L125-F145 HydrophobicContact CB-CD2 3.83Å; L125-F145 HydrophobicContact CB-CE1 3.68Å; L125-F145 HydrophobicContact CB-CE2 3.83Å; L125-F145 HydrophobicContact CB-CG 3.77Å; L125-F145 HydrophobicContact CB-CZ 3.75Å; L125-F145 HydrophobicContact CD2-CB 3.65Å; L125-F145 HydrophobicContact CD2-CD1 4.05Å; L125-F145 HydrophobicContact CD2-CD2 4.3Å; L125-F145 HydrophobicContact CD2-CG 3.73Å; L125-F145 HydrophobicContact CG-CG 4.34Å; M141-F145 WeakPolarHBondContact O-CB 3.46Å; M141-F145 PolarHBondContact O-N 2.94Å; V142-F145 PolarHBondContact O-N 3.48Å; K143-F145 VanDerWaalsContact C-N 3.31Å; K143-F145 PolarHBondContact O-N 3.45Å; F145-L148 WeakPolarHBondContact O-CB 3.37Å; F145-L148 PolarHBondContact O-N 2.88Å; F145-C149 VanDerWaalsContact CE2-SG 3.57Å; F145-C149 VanDerWaalsContact CZ-SG 3.57Å; F145-C149 PolarHBondContact O-N 2.9Å; F145-C149 PolarHBondContact O-SG 2.95Å; F145-S156 WeakPolarHBondContact CD1-OG 3.47Å; F145-S156 WeakPolarHBondContact CE1-OG 3.33Å; F145-I157 WeakPolarHBondContact CE1-O 3.48Å; F145-I158 HydrophobicContact CD1-CG2 4.07Å; F145-I158 HydrophobicContact CE1-CG2 4.14Å
146	N	98.8	Very high	98.6	Very high	10 Å²	10	47.2 Å²	47.2	5%	0.053	23%	0.231	C	C	.	.	H	α-helix	trans	-60.3	-47.9	175.1	-70	-12.1	0	0	0	110.6	V142 K143 L148 C149 H150 S156 S187 G188 A189	V142-N146 WeakPolarHBondContact O-CB 3.44Å; V142-N146 PolarHBondContact O-N 2.82Å; V142-N146 PolarHBondContact O-OD1 2.67Å; K143-N146 PolarHBondContact O-N 2.69Å; N146-L148 VanDerWaalsContact C-N 3.32Å; N146-L148 PolarHBondContact O-N 3.4Å; N146-C149 PolarHBondContact O-N 2.82Å; N146-C149 VanDerWaalsContact O-N 3.15Å; N146-H150 WeakPolarHBondContact O-CB 3.31Å; N146-H150 PolarHBondContact O-N 2.92Å; N146-H150 PolarHBondContact O-ND1 3.27Å; N146-S156 WeakPolarHBondContact OD1-CB 3.49Å; N146-S156 PolarHBondContact OD1-OG 3.02Å; N146-S187 PolarHBondContact ND2-O 3.39Å; N146-G188 VanDerWaalsContact ND2-C 3.31Å; N146-A189 PolarHBondContact ND2-N 2.76Å
147	E	98.5	Very high	98.6	Very high	125 Å²	125	42.5 Å²	42.5	58%	0.584	21%	0.209	S	C	*	.	H	α-helix	trans	-59.8	-42.8	176.7	-176.3	59.9	-147.5	0	0	111.6	K143 E144 C149 S151	K143-E147 PolarHBondContact O-N 2.84Å; E144-E147 PolarHBondContact O-N 2.74Å; E147-C149 VanDerWaalsContact C-N 3.3Å; E147-C149 PolarHBondContact O-N 3.33Å; E147-S151 WeakPolarHBondContact O-CB 3.18Å; E147-S151 PolarHBondContact O-N 3.45Å; E147-S151 PolarHBondContact O-OG 3.29Å
148	L	98.2	Very high	98.6	Very high	44 Å²	44	36 Å²	36	23%	0.23	18%	0.179	C	C	.	.	H	α-helix	trans	-56.2	-45	175.6	-174.4	71.1	0	0	0	111.6	I106 I110 P112 L123 E144 F145 N146 S151 H152	I106-L148 HydrophobicContact CG2-CD2 4.36Å; I110-L148 HydrophobicContact CG2-CD2 4.05Å; P112-L148 HydrophobicContact CG-CD1 3.55Å; P112-L148 HydrophobicContact CG-CD2 4.18Å; P112-L148 HydrophobicContact CG-CG 3.75Å; L123-L148 HydrophobicContact CD1-CD2 4.17Å; L123-L148 HydrophobicContact CD1-CG 4.47Å; E144-L148 PolarHBondContact O-N 3.2Å; F145-L148 WeakPolarHBondContact O-CB 3.37Å; F145-L148 PolarHBondContact O-N 2.88Å; N146-L148 VanDerWaalsContact C-N 3.32Å; N146-L148 PolarHBondContact O-N 3.4Å; L148-S151 PolarHBondContact O-OG 3.09Å; L148-H152 PolarHBondContact O-ND1 2.8Å
149	C	98.5	Very high	98.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-69.6	-56	179.5	-62	0	0	0	0	111.7	F145 N146 E147 S151 H152 G153 L154	F145-C149 VanDerWaalsContact CE2-SG 3.57Å; F145-C149 VanDerWaalsContact CZ-SG 3.57Å; F145-C149 PolarHBondContact O-N 2.9Å; F145-C149 PolarHBondContact O-SG 2.95Å; N146-C149 PolarHBondContact O-N 2.82Å; N146-C149 VanDerWaalsContact O-N 3.15Å; E147-C149 VanDerWaalsContact C-N 3.3Å; E147-C149 PolarHBondContact O-N 3.33Å; C149-S151 PolarHBondContact O-N 2.88Å; C149-H152 CarbonylContact O-C 3.58Å; C149-H152 PolarHBondContact O-N 3.29Å; C149-H152 VanDerWaalsContact O-N 3.12Å; C149-G153 PolarHBondContact O-N 3.25Å; C149-L154 CarbonylContact C-O 3.55Å; C149-L154 HydrophobicContact CB-CB 4.29Å; C149-L154 WeakPolarHBondContact CB-O 2.79Å; C149-L154 PolarHBondContact O-N 2.84Å
150	H	98.3	Very high	98.6	Very high	46 Å²	46	33.8 Å²	33.8	21%	0.213	17%	0.168	C	C	.	.	H	α-helix	trans	-66.8	-41.2	-170.1	-62	166.4	0	0	0	112	Y4 N146 H152 G153 G188 D190	Y4-H150 HydrophobicContact CE1-CB 4.09Å; Y4-H150 AromaticContact CE1-CD2 3.62Å; Y4-H150 AromaticContact CE1-CG 4Å; Y4-H150 AromaticContact CZ-CD2 3.41Å; Y4-H150 VanDerWaalsContact CZ-CD2 3.41Å; Y4-H150 AromaticContact CZ-NE2 3.74Å; Y4-H150 PolarHBondContact OH-CD2 2.91Å; Y4-H150 VanDerWaalsContact OH-CD2 3.22Å; Y4-H150 PolarHBondContact OH-NE2 2.83Å; N146-H150 WeakPolarHBondContact O-CB 3.31Å; N146-H150 PolarHBondContact O-N 2.92Å; N146-H150 PolarHBondContact O-ND1 3.27Å; H150-H152 PolarHBondContact O-N 3.07Å; H150-G153 PolarHBondContact O-N 2.85Å; H150-G188 PolarHBondContact CE1-O 3.47Å; H150-D190 IonicContact CD2-OD2 3.96Å; H150-D190 PolarHBondContact CD2-OD2 3.49Å; H150-D190 IonicContact CE1-OD2 3.6Å; H150-D190 IonicContact NE2-OD1 2.81Å; H150-D190 IonicContact NE2-OD2 2.79Å; H150-D190 PolarHBondContact NE2-OD2 2.91Å
151	S	97.6	Very high	98.6	Very high	48 Å²	48	30.9 Å²	30.9	34%	0.336	15%	0.153	S	C	.	.	H	α-helix	trans	-60.9	-28.5	176	63.7	0	0	0	0	112.5	N2 E147 L148 C149	N2-S151 PolarHBondContact ND2-O 3.44Å; E147-S151 WeakPolarHBondContact O-CB 3.18Å; E147-S151 PolarHBondContact O-N 3.45Å; E147-S151 PolarHBondContact O-OG 3.29Å; L148-S151 PolarHBondContact O-OG 3.09Å; C149-S151 PolarHBondContact O-N 2.88Å
152	H	97.9	Very high	98.6	Very high	52 Å²	52	30 Å²	30	24%	0.241	15%	0.149	C	C	.	.	H	α-helix	trans	-94.9	-5.4	176.9	-66.4	84.2	0	0	0	113.2	P112 K116 L148 C149 H150 L154	P112-H152 HydrophobicContact CB-CB 3.95Å; K116-H152 WeakPolarHBondContact CD-O 3.23Å; K116-H152 WeakPolarHBondContact CE-O 3.31Å; K116-H152 PolarHBondContact NZ-O 3.5Å; L148-H152 PolarHBondContact O-ND1 2.8Å; C149-H152 CarbonylContact O-C 3.58Å; C149-H152 PolarHBondContact O-N 3.29Å; C149-H152 VanDerWaalsContact O-N 3.12Å; H150-H152 PolarHBondContact O-N 3.07Å; H152-L154 HydrophobicContact CB-CD1 4.33Å
153	G	98	Very high	98.6	Very high	7 Å²	7	32.5 Å²	32.5	7%	0.072	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	47.9	-175.8	0	0	0	0	0	112.3	N2 Y4 C149 H150	N2-G153 WeakPolarHBondContact O-CA 3.44Å; Y4-G153 VanDerWaalsContact CB-C 3.5Å; Y4-G153 WeakPolarHBondContact CB-O 3.32Å; C149-G153 PolarHBondContact O-N 3.25Å; H150-G153 PolarHBondContact O-N 2.85Å
154	L	98.6	Very high	98.5	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.148	C	C	.	.			trans	-119	147.7	170.1	-63.1	168.7	0	0	0	108.7	P112 K116 G120 L123 C149 H152	P112-L154 HydrophobicContact CB-CD1 3.93Å; K116-L154 HydrophobicContact CB-CD2 4.32Å; G120-L154 VanDerWaalsContact O-CD2 3.25Å; G120-L154 WeakPolarHBondContact O-CD2 3.35Å; L123-L154 HydrophobicContact CD1-CD1 4.09Å; L123-L154 HydrophobicContact CD2-CD1 4.18Å; L123-L154 HydrophobicContact CG-CD1 3.85Å; C149-L154 CarbonylContact C-O 3.55Å; C149-L154 HydrophobicContact CB-CB 4.29Å; C149-L154 WeakPolarHBondContact CB-O 2.79Å; C149-L154 PolarHBondContact O-N 2.84Å; H152-L154 HydrophobicContact CB-CD1 4.33Å
155	V	98.8	Very high	98.5	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	136.6	171.1	173.8	0	0	0	0	109.4	Y4 I6 I9 K121 A122 L123 I157 D190	Y4-V155 HydrophobicContact CD2-CG2 3.93Å; I6-V155 HydrophobicContact CG1-CG1 4.41Å; I9-V155 HydrophobicContact CD1-CG1 4.09Å; K121-V155 PolarHBondContact O-N 2.92Å; A122-V155 CarbonylContact C-O 3.59Å; A122-V155 WeakPolarHBondContact CA-O 3.48Å; A122-V155 HydrophobicContact CB-CB 3.71Å; A122-V155 HydrophobicContact CB-CG1 4.25Å; A122-V155 WeakPolarHBondContact CB-O 3.46Å; L123-V155 PolarHBondContact N-O 2.93Å; V155-I157 HydrophobicContact CG1-CG1 4.21Å; V155-D190 HydrophobicContact CG1-CB 3.69Å
156	S	98.9	Very high	98.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	119.6	173.6	175.8	0	0	0	0	111.2	F145 N146 D190 L191	F145-S156 WeakPolarHBondContact CD1-OG 3.47Å; F145-S156 WeakPolarHBondContact CE1-OG 3.33Å; N146-S156 WeakPolarHBondContact OD1-CB 3.49Å; N146-S156 PolarHBondContact OD1-OG 3.02Å; S156-D190 PolarHBondContact N-OD2 2.91Å; S156-D190 PolarHBondContact O-N 3.24Å; S156-L191 PolarHBondContact O-N 3.08Å; S156-L191 VanDerWaalsContact O-N 3.08Å
157	I	99	Very high	98.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	117.2	174.4	-50.6	178.3	0	0	0	109.2	I9 I87 A122 L123 K124 L125 F145 V155 L191 K193	I9-I157 HydrophobicContact CD1-CD1 4.11Å; I87-I157 HydrophobicContact CD1-CD1 3.72Å; I87-I157 HydrophobicContact CG1-CD1 4.28Å; I87-I157 HydrophobicContact CG2-CD1 3.85Å; A122-I157 HydrophobicContact CB-CD1 3.93Å; A122-I157 HydrophobicContact CB-CG1 4.3Å; L123-I157 WeakPolarHBondContact O-CB 3.43Å; L123-I157 PolarHBondContact O-N 3.2Å; K124-I157 CarbonylContact C-O 3.58Å; K124-I157 VanDerWaalsContact CA-O 3.23Å; K124-I157 WeakPolarHBondContact CA-O 3.15Å; K124-I157 HydrophobicContact CB-CB 4.12Å; K124-I157 HydrophobicContact CG-CB 4.36Å; K124-I157 HydrophobicContact CG-CG2 4.26Å; L125-I157 PolarHBondContact N-O 2.99Å; F145-I157 WeakPolarHBondContact CE1-O 3.48Å; V155-I157 HydrophobicContact CG1-CG1 4.21Å; I157-L191 WeakPolarHBondContact CA-O 3.27Å; I157-L191 HydrophobicContact CB-CB 4.45Å; I157-L191 HydrophobicContact CD1-CD2 4.05Å; I157-L191 HydrophobicContact CG1-CB 4.06Å; I157-L191 HydrophobicContact CG1-CD2 4.14Å; I157-L191 HydrophobicContact CG2-CB 4.25Å; I157-L191 HydrophobicContact CG2-CD2 4.07Å; I157-L191 HydrophobicContact CG2-CG 4.43Å; I157-K193 HydrophobicContact CG2-CB 4.31Å
158	I	98.9	Very high	98.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	141.6	172	60.1	169.6	0	0	0	110.6	L125 V142 F145 P160 L184 S187 A189 L191 Y192 K193	L125-I158 CarbonylContact O-C 3.52Å; V142-I158 HydrophobicContact CG1-CG2 3.93Å; V142-I158 HydrophobicContact CG2-CG2 4.2Å; F145-I158 HydrophobicContact CD1-CG2 4.07Å; F145-I158 HydrophobicContact CE1-CG2 4.14Å; I158-P160 HydrophobicContact CD1-CG 4.21Å; I158-P160 HydrophobicContact CG1-CG 4.47Å; I158-L184 HydrophobicContact CD1-CB 4.18Å; I158-S187 WeakPolarHBondContact CD1-OG 3.26Å; I158-A189 HydrophobicContact CB-CB 4.48Å; I158-A189 HydrophobicContact CD1-CB 4.14Å; I158-A189 HydrophobicContact CG1-CB 3.92Å; I158-A189 HydrophobicContact CG2-CB 3.89Å; I158-L191 PolarHBondContact N-O 3.44Å; I158-Y192 HydrophobicContact CD1-CD2 3.77Å; I158-Y192 HydrophobicContact CD1-CE2 4Å; I158-Y192 HydrophobicContact CG1-CD2 4.08Å; I158-K193 PolarHBondContact O-N 3.21Å
159	E	98.9	Very high	98	Very high	20 Å²	20	41.6 Å²	41.6	9%	0.093	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	82.8	174.2	-175	-177.8	-168.2	0	0	110	K124 L125 L126 V127 V161 K193 L225	K124-E159 WeakPolarHBondContact CE-OE2 3.47Å; K124-E159 IonicContact NZ-OE2 3.61Å; K124-E159 PolarHBondContact NZ-OE2 3.09Å; L125-E159 PolarHBondContact O-N 3.36Å; L126-E159 WeakPolarHBondContact CA-O 3.43Å; L126-E159 HydrophobicContact CD1-CB 4.24Å; L126-E159 HydrophobicContact CD1-CG 3.91Å; L126-E159 WeakPolarHBondContact CD1-O 3.49Å; V127-E159 PolarHBondContact N-O 2.85Å; E159-V161 HydrophobicContact CG-CG2 3.95Å; E159-V161 PolarHBondContact O-N 3.24Å; E159-K193 WeakPolarHBondContact CA-O 3.47Å; E159-K193 HydrophobicContact CB-CB 4.12Å; E159-K193 HydrophobicContact CB-CD 3.96Å; E159-K193 HydrophobicContact CB-CG 4.35Å; E159-K193 VanDerWaalsContact CD-CD 3.49Å; E159-K193 HydrophobicContact CG-CB 4.22Å; E159-K193 HydrophobicContact CG-CD 3.63Å; E159-K193 HydrophobicContact CG-CG 3.97Å; E159-K193 WeakPolarHBondContact OE1-CE 3.33Å; E159-K193 IonicContact OE1-NZ 3.71Å; E159-K193 PolarHBondContact OE1-NZ 2.99Å; E159-K193 IonicContact OE2-NZ 3.41Å; E159-K193 PolarHBondContact OE2-NZ 3.3Å; E159-L225 HydrophobicContact CG-CD2 3.98Å; E159-L225 VanDerWaalsContact OE1-CD2 3.3Å; E159-L225 WeakPolarHBondContact OE1-CD2 3.32Å
160	P	98.9	Very high	97.9	Very high	4 Å²	4	50.2 Å²	50.2	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	126.8	169.9	-27.4	42.2	0	0	0	111	V127 I158 A180 L184 Y192	V127-P160 CarbonylContact O-C 3.56Å; V127-P160 VanDerWaalsContact O-CA 3.29Å; V127-P160 WeakPolarHBondContact O-CA 3.37Å; I158-P160 HydrophobicContact CD1-CG 4.21Å; I158-P160 HydrophobicContact CG1-CG 4.47Å; P160-A180 HydrophobicContact CB-CB 4.48Å; P160-L184 HydrophobicContact CB-CD1 3.88Å; P160-L184 HydrophobicContact CG-CB 4.22Å; P160-L184 HydrophobicContact CG-CD1 3.59Å; P160-Y192 HydrophobicContact CB-CE1 4.4Å; P160-Y192 WeakPolarHBondContact CB-OH 3.4Å; P160-Y192 HydrophobicContact CG-CE1 4.04Å; P160-Y192 HydrophobicContact CG-CE2 3.71Å; P160-Y192 VanDerWaalsContact CG-CZ 3.43Å; P160-Y192 WeakPolarHBondContact CG-OH 3.45Å
161	V	98.8	Very high	97.9	Very high	24 Å²	24	51.5 Å²	51.5	15%	0.145	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	126.1	178.3	170.8	0	0	0	0	109.3	L126 V127 L128 W129 E159 E195 L225	L126-V161 HydrophobicContact CD1-CB 3.97Å; L126-V161 HydrophobicContact CD1-CG2 3.46Å; L126-V161 VanDerWaalsContact CD1-CG2 3.46Å; V127-V161 PolarHBondContact O-N 3.09Å; L128-V161 WeakPolarHBondContact CA-O 3.26Å; L128-V161 HydrophobicContact CD2-CB 4.35Å; L128-V161 HydrophobicContact CD2-CG1 4.45Å; W129-V161 PolarHBondContact N-O 3.47Å; E159-V161 HydrophobicContact CG-CG2 3.95Å; E159-V161 PolarHBondContact O-N 3.24Å; V161-E195 WeakPolarHBondContact CA-OE2 3.32Å; V161-L225 HydrophobicContact CG2-CD2 4.37Å
162	V	98.7	Very high	97.9	Very high	11 Å²	11	54.1 Å²	54.1	7%	0.067	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	143.2	-174.4	-59.5	0	0	0	0	111.4	W129 F171 R173 A176 I177 A180 E195	W129-V162 HydrophobicContact CE3-CG1 4.42Å; V162-F171 HydrophobicContact CB-CE2 4.46Å; V162-F171 HydrophobicContact CB-CZ 4.48Å; V162-F171 HydrophobicContact CG2-CE2 4.45Å; V162-F171 HydrophobicContact CG2-CZ 4.05Å; V162-R173 HydrophobicContact CG2-CG 3.8Å; V162-A176 HydrophobicContact CB-CB 3.97Å; V162-A176 HydrophobicContact CG1-CB 3.86Å; V162-A176 HydrophobicContact CG2-CB 4.42Å; V162-I177 HydrophobicContact CB-CG1 4.5Å; V162-I177 HydrophobicContact CG1-CB 4.45Å; V162-I177 HydrophobicContact CG1-CG1 3.83Å; V162-I177 HydrophobicContact CG2-CD1 4.43Å; V162-I177 HydrophobicContact CG2-CG1 3.8Å; V162-A180 HydrophobicContact CG1-CB 4.32Å; V162-E195 WeakPolarHBondContact CG2-OE2 3.44Å; V162-E195 PolarHBondContact N-OE2 2.93Å
163	R	98.3	Very high	97.9	Very high	54 Å²	54	52.6 Å²	52.6	20%	0.204	26%	0.263	C	S	.	.			trans	-132.9	152.6	176.4	-67.6	-64.8	-173.6	78.7	1.7	109.9	I99 V101 L128 W129 R130 F171	I99-R163 VanDerWaalsContact CD1-NH1 3.31Å; V101-R163 VanDerWaalsContact O-CZ 3.28Å; V101-R163 PolarHBondContact O-NH1 2.9Å; V101-R163 PolarHBondContact O-NH2 3.06Å; L128-R163 HydrophobicContact CD2-CG 4.09Å; W129-R163 PolarHBondContact O-N 3.07Å; R130-R163 HydrophobicContact CG-CB 3.71Å; R163-F171 WeakPolarHBondContact O-CE2 3.39Å
164	P	98	Very high	98	Very high	68 Å²	68	54.3 Å²	54.3	44%	0.442	27%	0.269	S	S	.	.			trans	-54.4	151.2	165.8	-22.3	32.7	0	0	0	111.3	R130 F171	R130-P164 VanDerWaalsContact CD-O 3.28Å; R130-P164 WeakPolarHBondContact CD-O 3.28Å; R130-P164 WeakPolarHBondContact CG-O 3.43Å; R130-P164 PolarHBondContact NE-O 3.03Å; P164-F171 HydrophobicContact CB-CB 4.35Å; P164-F171 HydrophobicContact CB-CD1 4.33Å; P164-F171 HydrophobicContact CB-CD2 4.49Å; P164-F171 HydrophobicContact CB-CG 4.15Å; P164-F171 HydrophobicContact CG-CD1 3.86Å; P164-F171 HydrophobicContact CG-CE1 4.03Å; P164-F171 HydrophobicContact CG-CG 4.18Å; P164-F171 HydrophobicContact CG-CZ 4.48Å
165	P	98.1	Very high	98	Very high	17 Å²	17	56.9 Å²	56.9	11%	0.11	28%	0.281	C	S	.	.			trans	-60.1	158.4	177.3	27.5	-35	0	0	0	111.5	D132 R167	D132-P165 HydrophobicContact CB-CB 4.19Å; D132-P165 VanDerWaalsContact OD1-CA 3.23Å; D132-P165 WeakPolarHBondContact OD1-CA 3.4Å; D132-P165 WeakPolarHBondContact OD1-CB 3.47Å; P165-R167 VanDerWaalsContact C-N 3.3Å
166	R	96.6	Very high	98	Very high	92 Å²	92	57.1 Å²	57.1	35%	0.347	28%	0.283	S	S	.	.	S	Bend	trans	-65.3	-37.3	174.3	-61.7	-64.5	-168.5	165.2	5.2	111.4	D102 S103 R130 D132 E133	D102-R166 PolarHBondContact O-NH2 3.33Å; D102-R166 IonicContact OD1-NH1 2.68Å; D102-R166 PolarHBondContact OD1-NH1 3.39Å; D102-R166 VanDerWaalsContact OD1-NH1 3.11Å; D102-R166 IonicContact OD2-CZ 2.73Å; D102-R166 IonicContact OD2-NH1 2.67Å; D102-R166 PolarHBondContact OD2-NH1 3.05Å; D102-R166 IonicContact OD2-NH2 2.83Å; S103-R166 PolarHBondContact OG-NH2 3.2Å; R130-R166 VanDerWaalsContact CZ-NE 3.34Å; D132-R166 VanDerWaalsContact CG-N 3.29Å; D132-R166 PolarHBondContact OD1-N 3.48Å; D132-R166 WeakPolarHBondContact OD2-CA 3.26Å; D132-R166 WeakPolarHBondContact OD2-CB 3.36Å; D132-R166 PolarHBondContact OD2-N 2.93Å; E133-R166 HydrophobicContact CG-CG 4.16Å; E133-R166 IonicContact OE1-CZ 3.77Å; E133-R166 VanDerWaalsContact OE1-CZ 3.22Å; E133-R166 IonicContact OE1-NE 3.72Å; E133-R166 PolarHBondContact OE1-NE 3.1Å; E133-R166 IonicContact OE1-NH2 3.88Å; E133-R166 PolarHBondContact OE1-NH2 3.29Å
167	R	96.1	Very high	98	Very high	217 Å²	217	57.3 Å²	57.3	82%	0.819	28%	0.284	S	S	*	.	S	Bend	trans	-125.6	134.2	178.6	-69.6	-177.4	-79.8	-175	-5.7	110.9	D132 P165	D132-R167 PolarHBondContact OD2-N 3.43Å; P165-R167 VanDerWaalsContact C-N 3.3Å
168	G	95.6	Very high	98	Very high	65 Å²	65	57.7 Å²	57.7	67%	0.67	29%	0.286	S	S	*	.	S	Bend	trans	94.2	172.6	-177.5	0	0	0	0	0	113.1
169	D	95.2	Very high	98	Very high	146 Å²	146	60.1 Å²	60.1	78%	0.781	30%	0.299	S	S	*	.	S	Bend	trans	-116.3	-6.4	-173.7	60.2	-4.5	0	0	0	113.4	F171	D169-F171 PolarHBondContact O-N 2.97Å
170	K	96.7	Very high	98	Very high	181 Å²	181	59.2 Å²	59.2	79%	0.787	30%	0.295	S	S	*	.			trans	-70.5	103	178.1	-68.1	-174.9	179.9	-179.7	0	110.5
171	F	98.1	Very high	98	Very high	74 Å²	74	59 Å²	59	33%	0.325	29%	0.294	S	S	.	.			trans	-140.7	102.2	175.8	179.8	-121.3	0	0	0	110.8	V162 R163 P164 D169 R173 A176	V162-F171 HydrophobicContact CB-CE2 4.46Å; V162-F171 HydrophobicContact CB-CZ 4.48Å; V162-F171 HydrophobicContact CG2-CE2 4.45Å; V162-F171 HydrophobicContact CG2-CZ 4.05Å; R163-F171 WeakPolarHBondContact O-CE2 3.39Å; P164-F171 HydrophobicContact CB-CB 4.35Å; P164-F171 HydrophobicContact CB-CD1 4.33Å; P164-F171 HydrophobicContact CB-CD2 4.49Å; P164-F171 HydrophobicContact CB-CG 4.15Å; P164-F171 HydrophobicContact CG-CD1 3.86Å; P164-F171 HydrophobicContact CG-CE1 4.03Å; P164-F171 HydrophobicContact CG-CG 4.18Å; P164-F171 HydrophobicContact CG-CZ 4.48Å; D169-F171 PolarHBondContact O-N 2.97Å; F171-R173 HydrophobicContact CE1-CB 3.93Å; F171-R173 HydrophobicContact CE1-CG 4.48Å; F171-R173 HydrophobicContact CZ-CB 3.9Å; F171-R173 HydrophobicContact CZ-CG 4.19Å; F171-A176 HydrophobicContact CE2-CB 3.96Å
172	D	98.3	Very high	98	Very high	102 Å²	102	63.1 Å²	63.1	55%	0.545	31%	0.31	S	S	.	.			trans	-94.4	105.9	162.6	-179.9	-15.4	0	0	0	107.9	E174 Q175 A176	D172-E174 VanDerWaalsContact C-N 3.29Å; D172-E174 PolarHBondContact O-N 2.91Å; D172-E174 PolarHBondContact OD1-N 3.12Å; D172-Q175 HydrophobicContact CB-CB 4.01Å; D172-Q175 PolarHBondContact O-N 3.38Å; D172-Q175 PolarHBondContact OD1-N 3.18Å; D172-Q175 VanDerWaalsContact OD1-N 3.15Å; D172-A176 WeakPolarHBondContact O-CB 3.48Å; D172-A176 PolarHBondContact O-N 3.04Å
173	R	98.3	Very high	98	Very high	20 Å²	20	64.5 Å²	64.5	8%	0.075	32%	0.315	C	S	.	.	H	α-helix	trans	-58.8	-41.2	-179	-180	-178.6	175.8	-90.3	3.2	112.2	V162 F171 A176 I177 E195 M196 Y199	V162-R173 HydrophobicContact CG2-CG 3.8Å; F171-R173 HydrophobicContact CE1-CB 3.93Å; F171-R173 HydrophobicContact CE1-CG 4.48Å; F171-R173 HydrophobicContact CZ-CB 3.9Å; F171-R173 HydrophobicContact CZ-CG 4.19Å; R173-A176 PolarHBondContact O-N 2.91Å; R173-I177 HydrophobicContact CG-CD1 4.1Å; R173-I177 WeakPolarHBondContact O-CG1 3.35Å; R173-I177 PolarHBondContact O-N 3.4Å; R173-E195 IonicContact CZ-OE1 2.68Å; R173-E195 IonicContact NE-OE1 2.76Å; R173-E195 PolarHBondContact NE-OE1 3.26Å; R173-E195 IonicContact NH2-OE1 2.86Å; R173-E195 PolarHBondContact NH2-OE1 2.88Å; R173-M196 PolarHBondContact NH1-O 3.43Å; R173-M196 PolarHBondContact NH2-O 2.9Å; R173-Y199 VanDerWaalsContact CD-CZ 3.5Å; R173-Y199 WeakPolarHBondContact CD-OH 3.37Å; R173-Y199 PolarHBondContact NE-OH 2.98Å
174	E	98.6	Very high	98	Very high	44 Å²	44	62 Å²	62	21%	0.206	31%	0.306	C	S	.	.	H	α-helix	trans	-72.1	-40.4	-173.3	-56.6	-56.7	125.5	0	0	110.1	D172 I177 I178 P197 L198	D172-E174 VanDerWaalsContact C-N 3.29Å; D172-E174 PolarHBondContact O-N 2.91Å; D172-E174 PolarHBondContact OD1-N 3.12Å; E174-I177 PolarHBondContact O-N 3.42Å; E174-I178 WeakPolarHBondContact O-CG1 3.28Å; E174-I178 PolarHBondContact O-N 2.94Å; E174-P197 WeakPolarHBondContact OE2-CA 3.26Å; E174-P197 WeakPolarHBondContact OE2-CB 3.41Å; E174-L198 VanDerWaalsContact CD-N 3.29Å; E174-L198 HydrophobicContact CG-CD2 3.84Å; E174-L198 PolarHBondContact OE1-N 3.45Å; E174-L198 PolarHBondContact OE2-N 2.95Å
175	Q	98.7	Very high	98	Very high	55 Å²	55	58.7 Å²	58.7	26%	0.257	29%	0.285	S	S	.	.	H	α-helix	trans	-66.6	-39.1	172.5	-169.4	52.6	57	0	0	111.8	D172 I177 I178 D179	D172-Q175 HydrophobicContact CB-CB 4.01Å; D172-Q175 PolarHBondContact O-N 3.38Å; D172-Q175 PolarHBondContact OD1-N 3.18Å; D172-Q175 VanDerWaalsContact OD1-N 3.15Å; Q175-I177 VanDerWaalsContact C-N 3.33Å; Q175-I177 PolarHBondContact O-N 3.49Å; Q175-I178 PolarHBondContact O-N 3.38Å; Q175-D179 PolarHBondContact NE2-OD1 2.7Å; Q175-D179 PolarHBondContact NE2-OD2 2.74Å; Q175-D179 VanDerWaalsContact O-CG 3.27Å; Q175-D179 PolarHBondContact O-N 2.99Å
176	A	98.8	Very high	98.1	Very high	6 Å²	6	63.3 Å²	63.3	5%	0.05	31%	0.308	C	S	.	.	H	α-helix	trans	-61.4	-38.5	175.7	0	0	0	0	0	112.7	W129 V162 F171 D172 R173 I178 D179 A180	W129-A176 HydrophobicContact CE3-CB 4.06Å; W129-A176 HydrophobicContact CZ3-CB 3.68Å; V162-A176 HydrophobicContact CB-CB 3.97Å; V162-A176 HydrophobicContact CG1-CB 3.86Å; V162-A176 HydrophobicContact CG2-CB 4.42Å; F171-A176 HydrophobicContact CE2-CB 3.96Å; D172-A176 WeakPolarHBondContact O-CB 3.48Å; D172-A176 PolarHBondContact O-N 3.04Å; R173-A176 PolarHBondContact O-N 2.91Å; A176-I178 VanDerWaalsContact C-N 3.32Å; A176-I178 PolarHBondContact O-N 3.39Å; A176-D179 PolarHBondContact O-N 2.68Å; A176-A180 WeakPolarHBondContact O-CB 3.34Å; A176-A180 PolarHBondContact O-N 2.82Å
177	I	98.9	Very high	98.2	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-63	-42.7	176.8	-73.3	167.9	0	0	0	110.1	V162 R173 E174 Q175 A181 V194 E195 L214	V162-I177 HydrophobicContact CB-CG1 4.5Å; V162-I177 HydrophobicContact CG1-CB 4.45Å; V162-I177 HydrophobicContact CG1-CG1 3.83Å; V162-I177 HydrophobicContact CG2-CD1 4.43Å; V162-I177 HydrophobicContact CG2-CG1 3.8Å; R173-I177 HydrophobicContact CG-CD1 4.1Å; R173-I177 WeakPolarHBondContact O-CG1 3.35Å; R173-I177 PolarHBondContact O-N 3.4Å; E174-I177 PolarHBondContact O-N 3.42Å; Q175-I177 VanDerWaalsContact C-N 3.33Å; Q175-I177 PolarHBondContact O-N 3.49Å; I177-A181 PolarHBondContact O-N 2.96Å; I177-V194 HydrophobicContact CG2-CG2 4.09Å; I177-E195 HydrophobicContact CD1-CB 4.03Å; I177-L214 HydrophobicContact CG2-CD1 3.89Å; I177-L214 HydrophobicContact CG2-CD2 4.22Å
178	I	98.9	Very high	98.3	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.041	28%	0.283	C	S	.	.	H	α-helix	trans	-65.3	-42.4	176.2	-65.8	-59.9	0	0	0	111.6	E174 Q175 A176 A181 K182 R213 L214	E174-I178 WeakPolarHBondContact O-CG1 3.28Å; E174-I178 PolarHBondContact O-N 2.94Å; Q175-I178 PolarHBondContact O-N 3.38Å; A176-I178 VanDerWaalsContact C-N 3.32Å; A176-I178 PolarHBondContact O-N 3.39Å; I178-A181 PolarHBondContact O-N 2.74Å; I178-K182 HydrophobicContact CG2-CD 4.42Å; I178-K182 WeakPolarHBondContact O-CG 3.32Å; I178-K182 PolarHBondContact O-N 3.07Å; I178-R213 HydrophobicContact CD1-CB 4.44Å; I178-R213 HydrophobicContact CD1-CG 4.01Å; I178-L214 HydrophobicContact CD1-CB 3.89Å; I178-L214 HydrophobicContact CD1-CD1 4.09Å
179	D	98.9	Very high	98.4	Very high	51 Å²	51	49.1 Å²	49.1	27%	0.273	25%	0.254	S	S	.	.	H	α-helix	trans	-69.7	-37	-178.8	-66.7	-22.3	0	0	0	111.9	W129 Q175 A176 A181 K182 E183	W129-D179 HydrophobicContact CH2-CB 3.8Å; W129-D179 HydrophobicContact CZ2-CB 3.71Å; Q175-D179 PolarHBondContact NE2-OD1 2.7Å; Q175-D179 PolarHBondContact NE2-OD2 2.74Å; Q175-D179 VanDerWaalsContact O-CG 3.27Å; Q175-D179 PolarHBondContact O-N 2.99Å; A176-D179 PolarHBondContact O-N 2.68Å; D179-A181 VanDerWaalsContact C-N 3.34Å; D179-A181 PolarHBondContact O-N 2.7Å; D179-K182 PolarHBondContact O-N 3.34Å; D179-K182 IonicContact OD1-NZ 3.22Å; D179-K182 PolarHBondContact OD1-NZ 2.92Å; D179-E183 PolarHBondContact O-N 3.07Å; D179-E183 VanDerWaalsContact O-N 3.09Å
180	A	98.9	Very high	98.6	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-61.6	-41.2	170	0	0	0	0	0	112.1	W129 P160 V162 A176 E183 L184	W129-A180 HydrophobicContact CB-CB 4.03Å; W129-A180 HydrophobicContact CD2-CB 3.98Å; W129-A180 HydrophobicContact CG-CB 3.59Å; P160-A180 HydrophobicContact CB-CB 4.48Å; V162-A180 HydrophobicContact CG1-CB 4.32Å; A176-A180 WeakPolarHBondContact O-CB 3.34Å; A176-A180 PolarHBondContact O-N 2.82Å; A180-E183 PolarHBondContact O-N 2.9Å; A180-L184 WeakPolarHBondContact O-CB 3.45Å; A180-L184 PolarHBondContact O-N 3.3Å
181	A	98.9	Very high	98.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.2	-42.7	176.3	0	0	0	0	0	111.9	I177 I178 D179 E183 L184 G185 Y192 L214 H217 I218	I177-A181 PolarHBondContact O-N 2.96Å; I178-A181 PolarHBondContact O-N 2.74Å; D179-A181 VanDerWaalsContact C-N 3.34Å; D179-A181 PolarHBondContact O-N 2.7Å; A181-E183 PolarHBondContact O-N 3.41Å; A181-L184 PolarHBondContact O-N 3.26Å; A181-G185 WeakPolarHBondContact O-CA 3.39Å; A181-G185 PolarHBondContact O-N 2.79Å; A181-Y192 WeakPolarHBondContact CA-OH 3.45Å; A181-L214 HydrophobicContact CB-CD1 3.57Å; A181-H217 CarbonylContact C-O 3.54Å; A181-H217 HydrophobicContact CB-CB 3.91Å; A181-I218 HydrophobicContact CB-CD1 4.48Å; A181-I218 HydrophobicContact CB-CG1 4Å
182	K	98.8	Very high	98.8	Very high	110 Å²	110	31.4 Å²	31.4	48%	0.478	17%	0.171	S	C	.	.	H	α-helix	trans	-58.9	-36.3	174.1	-72.6	171.4	-176.6	166.8	0	112.9	I178 D179 H217	I178-K182 HydrophobicContact CG2-CD 4.42Å; I178-K182 WeakPolarHBondContact O-CG 3.32Å; I178-K182 PolarHBondContact O-N 3.07Å; D179-K182 PolarHBondContact O-N 3.34Å; D179-K182 IonicContact OD1-NZ 3.22Å; D179-K182 PolarHBondContact OD1-NZ 2.92Å; K182-H217 WeakPolarHBondContact CE-NE2 3.41Å; K182-H217 HydrophobicContact CG-CB 4.13Å
183	E	98.9	Very high	98.8	Very high	40 Å²	40	26.8 Å²	26.8	19%	0.187	15%	0.146	C	C	.	.	H	α-helix	trans	-76.3	-46.1	-179.8	-174.5	-175.1	126.9	0	0	112.2	W129 A135 R138 L139 D179 A180 A181	W129-E183 PolarHBondContact NE1-OE2 3.01Å; A135-E183 HydrophobicContact CB-CG 4.32Å; A135-E183 WeakPolarHBondContact CB-OE2 3.14Å; R138-E183 IonicContact CZ-OE1 2.9Å; R138-E183 IonicContact CZ-OE2 3.15Å; R138-E183 IonicContact NE-OE1 2.7Å; R138-E183 PolarHBondContact NE-OE1 2.96Å; R138-E183 IonicContact NE-OE2 3.99Å; R138-E183 IonicContact NH2-OE1 3.75Å; R138-E183 PolarHBondContact NH2-OE1 3.3Å; R138-E183 IonicContact NH2-OE2 2.74Å; R138-E183 PolarHBondContact NH2-OE2 3.36Å; L139-E183 HydrophobicContact CG-CG 4.44Å; D179-E183 PolarHBondContact O-N 3.07Å; D179-E183 VanDerWaalsContact O-N 3.09Å; A180-E183 PolarHBondContact O-N 2.9Å; A181-E183 PolarHBondContact O-N 3.41Å
184	L	98.9	Very high	98.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-111.5	-10.9	-165.8	-59.2	173.8	0	0	0	114	V127 L139 V142 I158 P160 A180 A181 D186 S187 Y192	V127-L184 HydrophobicContact CB-CD1 4.39Å; V127-L184 HydrophobicContact CG1-CD1 3.93Å; L139-L184 HydrophobicContact CD2-CD2 3.93Å; L139-L184 HydrophobicContact CG-CD2 4.37Å; V142-L184 HydrophobicContact CG2-CD2 4.25Å; I158-L184 HydrophobicContact CD1-CB 4.18Å; P160-L184 HydrophobicContact CB-CD1 3.88Å; P160-L184 HydrophobicContact CG-CB 4.22Å; P160-L184 HydrophobicContact CG-CD1 3.59Å; A180-L184 WeakPolarHBondContact O-CB 3.45Å; A180-L184 PolarHBondContact O-N 3.3Å; A181-L184 PolarHBondContact O-N 3.26Å; L184-D186 PolarHBondContact O-N 3.09Å; L184-S187 WeakPolarHBondContact O-CB 3.44Å; L184-S187 PolarHBondContact O-N 3.03Å; L184-S187 VanDerWaalsContact O-N 3.17Å; L184-S187 PolarHBondContact O-OG 2.73Å; L184-Y192 HydrophobicContact CB-CE2 4Å
185	G	98.8	Very high	98.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-10.5	-173.3	0	0	0	0	0	115.1	A181 N219 M220	A181-G185 WeakPolarHBondContact O-CA 3.39Å; A181-G185 PolarHBondContact O-N 2.79Å; G185-N219 PolarHBondContact O-N 2.88Å; G185-M220 WeakPolarHBondContact O-CE 3.35Å
186	D	98.8	Very high	98.8	Very high	113 Å²	113	22.2 Å²	22.2	60%	0.604	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.2	29.1	172.4	-163.4	30.6	0	0	0	111.8	L184 G188 N219	L184-D186 PolarHBondContact O-N 3.09Å; D186-G188 PolarHBondContact O-N 2.98Å; D186-G188 VanDerWaalsContact O-N 3.15Å; D186-N219 HydrophobicContact CB-CB 4.02Å; D186-N219 WeakPolarHBondContact OD1-CB 3.22Å; D186-N219 PolarHBondContact OD1-ND2 3.33Å
187	S	98.7	Very high	98.8	Very high	26 Å²	26	22.1 Å²	22.1	18%	0.182	12%	0.124	C	C	.	.	S	Bend	trans	-74.5	2.3	-175.5	57.9	0	0	0	0	114.9	N146 I158 L184 A189	N146-S187 PolarHBondContact ND2-O 3.39Å; I158-S187 WeakPolarHBondContact CD1-OG 3.26Å; L184-S187 WeakPolarHBondContact O-CB 3.44Å; L184-S187 PolarHBondContact O-N 3.03Å; L184-S187 VanDerWaalsContact O-N 3.17Å; L184-S187 PolarHBondContact O-OG 2.73Å; S187-A189 VanDerWaalsContact C-N 3.35Å
188	G	98.5	Very high	98.8	Very high	44 Å²	44	24.7 Å²	24.7	45%	0.454	14%	0.138	S	C	.	.	S	Bend	trans	80.3	7.8	-178	0	0	0	0	0	115.3	N146 H150 D186	N146-G188 VanDerWaalsContact ND2-C 3.31Å; H150-G188 PolarHBondContact CE1-O 3.47Å; D186-G188 PolarHBondContact O-N 2.98Å; D186-G188 VanDerWaalsContact O-N 3.15Å
189	A	98.8	Very high	98.8	Very high	7 Å²	7	28.9 Å²	28.9	6%	0.058	15%	0.154	C	C	.	.			trans	-68	162.9	165.9	0	0	0	0	0	110.7	N146 I158 S187 M220	N146-A189 PolarHBondContact ND2-N 2.76Å; I158-A189 HydrophobicContact CB-CB 4.48Å; I158-A189 HydrophobicContact CD1-CB 4.14Å; I158-A189 HydrophobicContact CG1-CB 3.92Å; I158-A189 HydrophobicContact CG2-CB 3.89Å; S187-A189 VanDerWaalsContact C-N 3.35Å; A189-M220 HydrophobicContact CB-CE 4.1Å; A189-M220 HydrophobicContact CB-SD 3.99Å; A189-M220 WeakPolarHBondContact O-CE 3.2Å; A189-M220 VanDerWaalsContact O-SD 3.38Å
190	D	98.9	Very high	98.7	Very high	28 Å²	28	26.4 Å²	26.4	15%	0.15	14%	0.141	C	C	.	.	S	Bend	trans	-90.7	-25	-177.6	-56.5	-71.4	0	0	0	112.3	Y4 I6 H150 V155 S156	Y4-D190 WeakPolarHBondContact CE2-OD1 3.43Å; Y4-D190 PolarHBondContact OH-OD1 2.83Å; I6-D190 HydrophobicContact CD1-CB 4.44Å; I6-D190 WeakPolarHBondContact CD1-O 3.39Å; H150-D190 IonicContact CD2-OD2 3.96Å; H150-D190 PolarHBondContact CD2-OD2 3.49Å; H150-D190 IonicContact CE1-OD2 3.6Å; H150-D190 IonicContact NE2-OD1 2.81Å; H150-D190 IonicContact NE2-OD2 2.79Å; H150-D190 PolarHBondContact NE2-OD2 2.91Å; V155-D190 HydrophobicContact CG1-CB 3.69Å; S156-D190 PolarHBondContact N-OD2 2.91Å; S156-D190 PolarHBondContact O-N 3.24Å
191	L	99	Very high	98.7	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	133.3	-179.5	-168.4	74.3	0	0	0	112	I6 I9 F16 M18 S156 I157 I158 P221 V223	I6-L191 HydrophobicContact CD1-CB 4.47Å; I6-L191 HydrophobicContact CD1-CD1 4.23Å; I9-L191 HydrophobicContact CD1-CD2 4.21Å; F16-L191 HydrophobicContact CD1-CD1 4.3Å; F16-L191 HydrophobicContact CD1-CD2 4.3Å; F16-L191 HydrophobicContact CD2-CD1 4.33Å; F16-L191 HydrophobicContact CE1-CD1 3.87Å; F16-L191 HydrophobicContact CE1-CD2 4.28Å; F16-L191 HydrophobicContact CE2-CD1 3.95Å; F16-L191 HydrophobicContact CZ-CD1 3.7Å; M18-L191 HydrophobicContact CE-CD2 3.53Å; M18-L191 HydrophobicContact SD-CD2 4.48Å; S156-L191 PolarHBondContact O-N 3.08Å; S156-L191 VanDerWaalsContact O-N 3.08Å; I157-L191 WeakPolarHBondContact CA-O 3.27Å; I157-L191 HydrophobicContact CB-CB 4.45Å; I157-L191 HydrophobicContact CD1-CD2 4.05Å; I157-L191 HydrophobicContact CG1-CB 4.06Å; I157-L191 HydrophobicContact CG1-CD2 4.14Å; I157-L191 HydrophobicContact CG2-CB 4.25Å; I157-L191 HydrophobicContact CG2-CD2 4.07Å; I157-L191 HydrophobicContact CG2-CG 4.43Å; I158-L191 PolarHBondContact N-O 3.44Å; L191-P221 WeakPolarHBondContact CA-O 3.42Å; L191-P221 HydrophobicContact CD1-CB 3.84Å; L191-P221 WeakPolarHBondContact CD1-O 3.33Å; L191-V223 HydrophobicContact CD1-CG1 4.18Å; L191-V223 HydrophobicContact CD2-CG2 4.15Å; L191-V223 HydrophobicContact CG-CG2 4.4Å
192	Y	98.9	Very high	98.6	Very high	1 Å²	1	34 Å²	34	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	115.9	175.4	-160.7	-74.1	0	0	0	111.2	I158 P160 A181 L184 V194 I218 M220 P221 W222 V223	I158-Y192 HydrophobicContact CD1-CD2 3.77Å; I158-Y192 HydrophobicContact CD1-CE2 4Å; I158-Y192 HydrophobicContact CG1-CD2 4.08Å; P160-Y192 HydrophobicContact CB-CE1 4.4Å; P160-Y192 WeakPolarHBondContact CB-OH 3.4Å; P160-Y192 HydrophobicContact CG-CE1 4.04Å; P160-Y192 HydrophobicContact CG-CE2 3.71Å; P160-Y192 VanDerWaalsContact CG-CZ 3.43Å; P160-Y192 WeakPolarHBondContact CG-OH 3.45Å; A181-Y192 WeakPolarHBondContact CA-OH 3.45Å; L184-Y192 HydrophobicContact CB-CE2 4Å; Y192-V194 HydrophobicContact CD1-CB 3.77Å; Y192-V194 HydrophobicContact CD1-CG2 4.38Å; Y192-V194 HydrophobicContact CE1-CB 3.63Å; Y192-V194 HydrophobicContact CE1-CG2 3.75Å; Y192-I218 HydrophobicContact CD1-CD1 3.93Å; Y192-I218 HydrophobicContact CD2-CG2 4.18Å; Y192-I218 HydrophobicContact CE1-CD1 4.14Å; Y192-I218 HydrophobicContact CG-CD1 4.31Å; Y192-I218 HydrophobicContact CG-CG2 3.96Å; Y192-M220 HydrophobicContact CD2-SD 4.32Å; Y192-P221 PolarHBondContact N-O 2.97Å; Y192-W222 CarbonylContact O-C 3.5Å; Y192-W222 WeakPolarHBondContact O-CA 3.44Å; Y192-W222 WeakPolarHBondContact O-CB 3.48Å; Y192-V223 PolarHBondContact O-N 3.2Å
193	K	98.9	Very high	98.5	Very high	4 Å²	4	32 Å²	32	2%	0.017	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	112.8	174.9	179.9	-171	175.5	-166.1	0	109.7	I157 I158 E159 V223 L225 L250	I157-K193 HydrophobicContact CG2-CB 4.31Å; I158-K193 PolarHBondContact O-N 3.21Å; E159-K193 WeakPolarHBondContact CA-O 3.47Å; E159-K193 HydrophobicContact CB-CB 4.12Å; E159-K193 HydrophobicContact CB-CD 3.96Å; E159-K193 HydrophobicContact CB-CG 4.35Å; E159-K193 VanDerWaalsContact CD-CD 3.49Å; E159-K193 HydrophobicContact CG-CB 4.22Å; E159-K193 HydrophobicContact CG-CD 3.63Å; E159-K193 HydrophobicContact CG-CG 3.97Å; E159-K193 WeakPolarHBondContact OE1-CE 3.33Å; E159-K193 IonicContact OE1-NZ 3.71Å; E159-K193 PolarHBondContact OE1-NZ 2.99Å; E159-K193 IonicContact OE2-NZ 3.41Å; E159-K193 PolarHBondContact OE2-NZ 3.3Å; K193-V223 WeakPolarHBondContact CA-O 3.36Å; K193-V223 HydrophobicContact CB-CG2 4.13Å; K193-V223 HydrophobicContact CG-CG2 4.31Å; K193-L225 HydrophobicContact CD-CB 4.41Å; K193-L225 HydrophobicContact CG-CB 4.05Å; K193-L225 HydrophobicContact CG-CD2 4.31Å; K193-L250 HydrophobicContact CD-CB 4.12Å; K193-L250 HydrophobicContact CD-CD2 3.59Å; K193-L250 HydrophobicContact CD-CG 3.93Å; K193-L250 HydrophobicContact CG-CB 4.31Å; K193-L250 HydrophobicContact CG-CD2 4.43Å
194	V	98.9	Very high	98.5	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	149.7	-170.6	70.6	0	0	0	0	113.3	I177 Y192 L214 W222 V223 I224 L225	I177-V194 HydrophobicContact CG2-CG2 4.09Å; Y192-V194 HydrophobicContact CD1-CB 3.77Å; Y192-V194 HydrophobicContact CD1-CG2 4.38Å; Y192-V194 HydrophobicContact CE1-CB 3.63Å; Y192-V194 HydrophobicContact CE1-CG2 3.75Å; V194-L214 HydrophobicContact CG1-CD2 3.9Å; V194-L214 HydrophobicContact CG2-CD1 4.37Å; V194-L214 HydrophobicContact CG2-CD2 3.89Å; V194-W222 HydrophobicContact CG1-CE3 3.62Å; V194-W222 HydrophobicContact CG1-CZ3 3.92Å; V194-V223 PolarHBondContact N-O 3.26Å; V194-I224 HydrophobicContact CG1-CG2 4.26Å; V194-I224 CarbonylContact O-C 3.6Å; V194-I224 VanDerWaalsContact O-CA 3.32Å; V194-I224 WeakPolarHBondContact O-CA 3.47Å; V194-L225 WeakPolarHBondContact O-CG 3.41Å; V194-L225 PolarHBondContact O-N 3Å
195	E	98.9	Very high	98.4	Very high	20 Å²	20	42 Å²	42	9%	0.093	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	142.8	167.1	-64	-178.4	70.5	0	0	112.1	V161 V162 R173 I177 P197 L225	V161-E195 WeakPolarHBondContact CA-OE2 3.32Å; V162-E195 WeakPolarHBondContact CG2-OE2 3.44Å; V162-E195 PolarHBondContact N-OE2 2.93Å; R173-E195 IonicContact CZ-OE1 2.68Å; R173-E195 IonicContact NE-OE1 2.76Å; R173-E195 PolarHBondContact NE-OE1 3.26Å; R173-E195 IonicContact NH2-OE1 2.86Å; R173-E195 PolarHBondContact NH2-OE1 2.88Å; I177-E195 HydrophobicContact CD1-CB 4.03Å; E195-P197 WeakPolarHBondContact O-CD 3.38Å; E195-L225 HydrophobicContact CG-CD1 4.11Å; E195-L225 HydrophobicContact CG-CD2 3.93Å; E195-L225 HydrophobicContact CG-CG 4.31Å
196	M	98.7	Very high	98.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-70	127.1	172.5	-176	64.9	-164.1	0	0	110.4	R173 Y199 L207 I224 V229 A237 V240 A241	R173-M196 PolarHBondContact NH1-O 3.43Å; R173-M196 PolarHBondContact NH2-O 2.9Å; M196-Y199 PolarHBondContact O-N 2.92Å; M196-L207 HydrophobicContact CE-CB 4.34Å; M196-L207 HydrophobicContact CE-CD2 3.92Å; M196-I224 HydrophobicContact SD-CD1 4.05Å; M196-I224 HydrophobicContact SD-CG2 4.16Å; M196-V229 HydrophobicContact CB-CG2 3.66Å; M196-V229 HydrophobicContact CG-CG2 4.23Å; M196-A237 HydrophobicContact CE-CB 4.24Å; M196-A237 HydrophobicContact CG-CB 3.97Å; M196-A237 HydrophobicContact SD-CB 3.95Å; M196-V240 HydrophobicContact CE-CG1 4.49Å; M196-A241 HydrophobicContact SD-CB 4.49Å
197	P	98.5	Very high	98.4	Very high	4 Å²	4	41.9 Å²	41.9	3%	0.026	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-55.8	146	169.8	-26.9	36.4	0	0	0	112.2	E174 E195 Y199 G200 A210 L214	E174-P197 WeakPolarHBondContact OE2-CA 3.26Å; E174-P197 WeakPolarHBondContact OE2-CB 3.41Å; E195-P197 WeakPolarHBondContact O-CD 3.38Å; P197-Y199 PolarHBondContact O-N 3.38Å; P197-G200 PolarHBondContact O-N 2.85Å; P197-A210 HydrophobicContact CB-CB 3.82Å; P197-A210 HydrophobicContact CG-CB 4.48Å; P197-L214 HydrophobicContact CG-CD2 3.98Å
198	L	98.4	Very high	98.4	Very high	58 Å²	58	42 Å²	42	30%	0.304	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	53.6	22.9	178.2	-52.5	173.5	0	0	0	114	E174 G200 K201 E206 L207 A210	E174-L198 VanDerWaalsContact CD-N 3.29Å; E174-L198 HydrophobicContact CG-CD2 3.84Å; E174-L198 PolarHBondContact OE1-N 3.45Å; E174-L198 PolarHBondContact OE2-N 2.95Å; L198-G200 PolarHBondContact O-N 3.48Å; L198-K201 WeakPolarHBondContact O-CB 3.47Å; L198-K201 PolarHBondContact O-N 2.9Å; L198-E206 HydrophobicContact CD1-CB 4.41Å; L198-L207 HydrophobicContact CB-CD2 3.88Å; L198-L207 HydrophobicContact CD1-CD2 4.21Å; L198-A210 HydrophobicContact CD1-CB 4.46Å
199	Y	98.3	Very high	98.4	Very high	96 Å²	96	42.9 Å²	42.9	38%	0.376	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	55.1	24	-175.2	-54.3	-81.2	0	0	0	113.8	R173 M196 P197 K201 G228	R173-Y199 VanDerWaalsContact CD-CZ 3.5Å; R173-Y199 WeakPolarHBondContact CD-OH 3.37Å; R173-Y199 PolarHBondContact NE-OH 2.98Å; M196-Y199 PolarHBondContact O-N 2.92Å; P197-Y199 PolarHBondContact O-N 3.38Å; Y199-K201 PolarHBondContact O-N 3.37Å; Y199-G228 WeakPolarHBondContact CB-O 3.39Å; Y199-G228 WeakPolarHBondContact CD1-O 3.47Å
200	G	98	Very high	98.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	64.8	19.6	-173.5	0	0	0	0	0	114	P197 L198 R236	P197-G200 PolarHBondContact O-N 2.85Å; L198-G200 PolarHBondContact O-N 3.48Å; G200-R236 PolarHBondContact O-NH2 3.06Å
201	K	98.1	Very high	98.4	Very high	118 Å²	118	42.4 Å²	42.4	51%	0.513	22%	0.223	S	C	.	.			trans	-100.2	163.7	179.6	-64	179.6	-178.4	177.6	0	111.6	L198 Y199 L207 L233	L198-K201 WeakPolarHBondContact O-CB 3.47Å; L198-K201 PolarHBondContact O-N 2.9Å; Y199-K201 PolarHBondContact O-N 3.37Å; K201-L207 WeakPolarHBondContact O-CD2 3.39Å; K201-L233 HydrophobicContact CG-CD1 3.86Å
202	G	96.9	Very high	98.4	Very high	41 Å²	41	46.4 Å²	46.4	42%	0.423	24%	0.242	S	C	.	.	S	Bend	trans	86.8	-171.1	179.5	0	0	0	0	0	114.4	R236	G202-R236 PolarHBondContact O-NH1 3.22Å; G202-R236 PolarHBondContact O-NH2 2.85Å; G202-R236 VanDerWaalsContact O-NH2 3.12Å
203	P	97.7	Very high	98.4	Very high	70 Å²	70	52.1 Å²	52.1	46%	0.455	26%	0.263	S	S	.	.			trans	-62.9	146.2	-179.7	-22	34.6	0	0	0	112.6	Q205 E206 L207	P203-Q205 VanDerWaalsContact C-N 3.28Å; P203-Q205 PolarHBondContact O-N 3.49Å; P203-E206 HydrophobicContact CB-CG 4.38Å; P203-E206 HydrophobicContact CG-CG 4.41Å; P203-E206 PolarHBondContact O-N 3.33Å; P203-L207 PolarHBondContact O-N 2.87Å
204	Q	97.6	Very high	98.4	Very high	127 Å²	127	52 Å²	52	59%	0.593	26%	0.263	S	S	*	.	H	α-helix	trans	-60.4	-37.2	-179.1	-176	174.5	-55.6	0	0	112.7	L207 L208 V240	Q204-L207 PolarHBondContact O-N 3.33Å; Q204-L208 WeakPolarHBondContact O-CB 3.43Å; Q204-L208 PolarHBondContact O-N 3.43Å; Q204-V240 HydrophobicContact CG-CG2 3.98Å
205	Q	98.1	Very high	98.4	Very high	123 Å²	123	54 Å²	54	58%	0.575	27%	0.273	S	S	*	.	H	α-helix	trans	-65.7	-38.9	-179.3	-170.4	60.2	37.7	0	0	112.2	P203 L208 C209	P203-Q205 VanDerWaalsContact C-N 3.28Å; P203-Q205 PolarHBondContact O-N 3.49Å; Q205-L208 PolarHBondContact O-N 3.21Å; Q205-C209 PolarHBondContact O-N 2.84Å; Q205-C209 PolarHBondContact O-SG 3.14Å
206	E	98.4	Very high	98.4	Very high	110 Å²	110	59 Å²	59	51%	0.514	30%	0.301	S	S	.	.	H	α-helix	trans	-66.6	-43.5	177.2	-69.8	176.8	-157.6	0	0	111.3	L198 P203 L208 C209 A210	L198-E206 HydrophobicContact CD1-CB 4.41Å; P203-E206 HydrophobicContact CB-CG 4.38Å; P203-E206 HydrophobicContact CG-CG 4.41Å; P203-E206 PolarHBondContact O-N 3.33Å; E206-L208 VanDerWaalsContact C-N 3.29Å; E206-L208 PolarHBondContact O-N 3.24Å; E206-C209 PolarHBondContact O-N 3.16Å; E206-A210 WeakPolarHBondContact O-CB 3.49Å; E206-A210 PolarHBondContact O-N 3.44Å
207	L	98.6	Very high	98.4	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.5	-39.9	174.5	-69.4	173.4	0	0	0	111.9	M196 L198 K201 P203 Q204 S211 V240	M196-L207 HydrophobicContact CE-CB 4.34Å; M196-L207 HydrophobicContact CE-CD2 3.92Å; L198-L207 HydrophobicContact CB-CD2 3.88Å; L198-L207 HydrophobicContact CD1-CD2 4.21Å; K201-L207 WeakPolarHBondContact O-CD2 3.39Å; P203-L207 PolarHBondContact O-N 2.87Å; Q204-L207 PolarHBondContact O-N 3.33Å; L207-S211 VanDerWaalsContact O-CB 3.27Å; L207-S211 WeakPolarHBondContact O-CB 3.44Å; L207-S211 PolarHBondContact O-N 3.26Å; L207-S211 PolarHBondContact O-OG 2.93Å; L207-V240 HydrophobicContact CB-CG1 3.81Å
208	L	98.8	Very high	98.4	Very high	28 Å²	28	62.3 Å²	62.3	15%	0.147	32%	0.316	C	S	.	.	H	α-helix	trans	-65.4	-49.8	177.8	180	61	0	0	0	111	Q204 Q205 E206 A210 S211 Q212 V240 T243 A244	Q204-L208 WeakPolarHBondContact O-CB 3.43Å; Q204-L208 PolarHBondContact O-N 3.43Å; Q205-L208 PolarHBondContact O-N 3.21Å; E206-L208 VanDerWaalsContact C-N 3.29Å; E206-L208 PolarHBondContact O-N 3.24Å; L208-A210 VanDerWaalsContact C-N 3.32Å; L208-A210 PolarHBondContact O-N 3.23Å; L208-S211 PolarHBondContact O-N 3.02Å; L208-Q212 HydrophobicContact CD1-CG 4.13Å; L208-Q212 HydrophobicContact CG-CG 4.42Å; L208-Q212 WeakPolarHBondContact O-CB 3.3Å; L208-Q212 VanDerWaalsContact O-CG 3.3Å; L208-Q212 WeakPolarHBondContact O-CG 3.14Å; L208-Q212 PolarHBondContact O-N 3.21Å; L208-V240 HydrophobicContact CB-CG1 4.1Å; L208-V240 HydrophobicContact CD1-CG1 4.43Å; L208-T243 HydrophobicContact CD1-CG2 3.91Å; L208-A244 HydrophobicContact CD1-CB 4.13Å
209	C	98.7	Very high	98.4	Very high	63 Å²	63	65.2 Å²	65.2	43%	0.426	33%	0.332	S	S	.	.	H	α-helix	trans	-58.6	-43.7	177.3	-68.5	0	0	0	0	111.8	Q205 E206 Q212 R213	Q205-C209 PolarHBondContact O-N 2.84Å; Q205-C209 PolarHBondContact O-SG 3.14Å; E206-C209 PolarHBondContact O-N 3.16Å; C209-Q212 PolarHBondContact O-N 3.39Å; C209-R213 WeakPolarHBondContact O-CB 3.4Å; C209-R213 PolarHBondContact O-N 2.93Å
210	A	98.7	Very high	98.4	Very high	24 Å²	24	61.7 Å²	61.7	20%	0.198	32%	0.319	C	S	.	.	H	α-helix	trans	-64.4	-42.1	177.4	0	0	0	0	0	112.1	P197 L198 E206 L208 R213 L214	P197-A210 HydrophobicContact CB-CB 3.82Å; P197-A210 HydrophobicContact CG-CB 4.48Å; L198-A210 HydrophobicContact CD1-CB 4.46Å; E206-A210 WeakPolarHBondContact O-CB 3.49Å; E206-A210 PolarHBondContact O-N 3.44Å; L208-A210 VanDerWaalsContact C-N 3.32Å; L208-A210 PolarHBondContact O-N 3.23Å; A210-R213 PolarHBondContact O-N 3.5Å; A210-L214 PolarHBondContact O-N 2.81Å
211	S	98.8	Very high	98.5	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-68.9	-35	178.1	-56.3	0	0	0	0	112.3	L207 L208 L214 N215 A244	L207-S211 VanDerWaalsContact O-CB 3.27Å; L207-S211 WeakPolarHBondContact O-CB 3.44Å; L207-S211 PolarHBondContact O-N 3.26Å; L207-S211 PolarHBondContact O-OG 2.93Å; L208-S211 PolarHBondContact O-N 3.02Å; S211-L214 PolarHBondContact O-N 3.39Å; S211-N215 WeakPolarHBondContact O-CB 3.29Å; S211-N215 PolarHBondContact O-N 2.87Å; S211-A244 VanDerWaalsContact CB-CB 3.41Å
212	Q	98.8	Very high	98.5	Very high	84 Å²	84	58.7 Å²	58.7	39%	0.393	31%	0.311	S	S	.	.	H	α-helix	trans	-66.7	-45.9	174.8	-75.7	172.3	-36.2	0	0	110.9	L208 C209 L214 N215 D216 A244	L208-Q212 HydrophobicContact CD1-CG 4.13Å; L208-Q212 HydrophobicContact CG-CG 4.42Å; L208-Q212 WeakPolarHBondContact O-CB 3.3Å; L208-Q212 VanDerWaalsContact O-CG 3.3Å; L208-Q212 WeakPolarHBondContact O-CG 3.14Å; L208-Q212 PolarHBondContact O-N 3.21Å; C209-Q212 PolarHBondContact O-N 3.39Å; Q212-L214 PolarHBondContact O-N 2.83Å; Q212-N215 WeakPolarHBondContact O-CB 3.18Å; Q212-N215 PolarHBondContact O-N 3.29Å; Q212-D216 PolarHBondContact O-N 3.03Å; Q212-D216 VanDerWaalsContact O-N 3.09Å; Q212-A244 HydrophobicContact CG-CB 3.8Å
213	R	98.7	Very high	98.6	Very high	122 Å²	122	56.8 Å²	56.8	46%	0.46	29%	0.291	S	S	.	.	H	α-helix	trans	-58.6	-36.6	174.6	-174.6	179.2	176.9	-159.2	-6.8	112.3	I178 C209 A210 H217	I178-R213 HydrophobicContact CD1-CB 4.44Å; I178-R213 HydrophobicContact CD1-CG 4.01Å; C209-R213 WeakPolarHBondContact O-CB 3.4Å; C209-R213 PolarHBondContact O-N 2.93Å; A210-R213 PolarHBondContact O-N 3.5Å; R213-H217 PolarHBondContact O-CD2 3.28Å; R213-H217 VanDerWaalsContact O-CD2 3.24Å
214	L	98.9	Very high	98.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-67.6	-44.9	173.5	177.9	59.8	0	0	0	111.8	I177 I178 A181 V194 P197 A210 S211 Q212 D216 H217 I218 W222	I177-L214 HydrophobicContact CG2-CD1 3.89Å; I177-L214 HydrophobicContact CG2-CD2 4.22Å; I178-L214 HydrophobicContact CD1-CB 3.89Å; I178-L214 HydrophobicContact CD1-CD1 4.09Å; A181-L214 HydrophobicContact CB-CD1 3.57Å; V194-L214 HydrophobicContact CG1-CD2 3.9Å; V194-L214 HydrophobicContact CG2-CD1 4.37Å; V194-L214 HydrophobicContact CG2-CD2 3.89Å; P197-L214 HydrophobicContact CG-CD2 3.98Å; A210-L214 PolarHBondContact O-N 2.81Å; S211-L214 PolarHBondContact O-N 3.39Å; Q212-L214 PolarHBondContact O-N 2.83Å; L214-D216 VanDerWaalsContact C-N 3.26Å; L214-D216 PolarHBondContact O-N 3.26Å; L214-H217 PolarHBondContact O-N 3.4Å; L214-H217 VanDerWaalsContact O-N 3.09Å; L214-I218 HydrophobicContact CD1-CD1 3.94Å; L214-I218 HydrophobicContact CG-CD1 3.93Å; L214-W222 HydrophobicContact CD2-CZ3 4.29Å
215	N	98.8	Very high	98.7	Very high	46 Å²	46	47.7 Å²	47.7	25%	0.246	24%	0.243	C	C	.	.	H	α-helix	trans	-56.5	-38.8	179.1	-179.3	80.5	0	0	0	112.7	S211 Q212 H217 I218 W222 A244 G245	S211-N215 WeakPolarHBondContact O-CB 3.29Å; S211-N215 PolarHBondContact O-N 2.87Å; Q212-N215 WeakPolarHBondContact O-CB 3.18Å; Q212-N215 PolarHBondContact O-N 3.29Å; N215-H217 PolarHBondContact O-N 3.05Å; N215-I218 PolarHBondContact O-N 3.47Å; N215-I218 VanDerWaalsContact O-N 3.1Å; N215-W222 HydrophobicContact CB-CZ2 3.92Å; N215-W222 PolarHBondContact OD1-NE1 3.21Å; N215-A244 WeakPolarHBondContact CB-O 3.33Å; N215-A244 PolarHBondContact OD1-O 2.86Å; N215-G245 WeakPolarHBondContact OD1-CA 3.37Å
216	D	98.7	Very high	98.7	Very high	124 Å²	124	42 Å²	42	66%	0.663	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-12.7	179.6	-65.4	-18.8	0	0	0	113.9	Q212 L214	Q212-D216 PolarHBondContact O-N 3.03Å; Q212-D216 VanDerWaalsContact O-N 3.09Å; L214-D216 VanDerWaalsContact C-N 3.26Å; L214-D216 PolarHBondContact O-N 3.26Å
217	H	98.8	Very high	98.6	Very high	62 Å²	62	39.3 Å²	39.3	29%	0.287	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	7.2	-179.2	-62.8	-51.8	0	0	0	113.9	A181 K182 R213 L214 N215	A181-H217 CarbonylContact C-O 3.54Å; A181-H217 HydrophobicContact CB-CB 3.91Å; K182-H217 WeakPolarHBondContact CE-NE2 3.41Å; K182-H217 HydrophobicContact CG-CB 4.13Å; R213-H217 PolarHBondContact O-CD2 3.28Å; R213-H217 VanDerWaalsContact O-CD2 3.24Å; L214-H217 PolarHBondContact O-N 3.4Å; L214-H217 VanDerWaalsContact O-N 3.09Å; N215-H217 PolarHBondContact O-N 3.05Å
218	I	98.9	Very high	98.4	Very high	13 Å²	13	41.4 Å²	41.4	7%	0.067	23%	0.232	C	C	.	.			trans	-121.1	107.1	178.5	-53.7	171.2	0	0	0	109.6	A181 Y192 L214 N215 M220 W222	A181-I218 HydrophobicContact CB-CD1 4.48Å; A181-I218 HydrophobicContact CB-CG1 4Å; Y192-I218 HydrophobicContact CD1-CD1 3.93Å; Y192-I218 HydrophobicContact CD2-CG2 4.18Å; Y192-I218 HydrophobicContact CE1-CD1 4.14Å; Y192-I218 HydrophobicContact CG-CD1 4.31Å; Y192-I218 HydrophobicContact CG-CG2 3.96Å; L214-I218 HydrophobicContact CD1-CD1 3.94Å; L214-I218 HydrophobicContact CG-CD1 3.93Å; N215-I218 PolarHBondContact O-N 3.47Å; N215-I218 VanDerWaalsContact O-N 3.1Å; I218-M220 VanDerWaalsContact C-N 3.28Å; I218-M220 HydrophobicContact CG2-CG 3.76Å; I218-M220 PolarHBondContact O-N 3.48Å; I218-W222 HydrophobicContact CD1-CB 4.1Å; I218-W222 HydrophobicContact CD1-CD2 4.21Å; I218-W222 HydrophobicContact CD1-CG 4.03Å; I218-W222 HydrophobicContact CG2-CB 3.95Å; I218-W222 HydrophobicContact CG2-CG 4.32Å
219	N	98.7	Very high	98.4	Very high	118 Å²	118	40.7 Å²	40.7	63%	0.631	23%	0.228	S	C	*	.			trans	-93.7	39.6	-178.9	-169.7	39.8	0	0	0	112.5	G185 D186	G185-N219 PolarHBondContact O-N 2.88Å; D186-N219 HydrophobicContact CB-CB 4.02Å; D186-N219 WeakPolarHBondContact OD1-CB 3.22Å; D186-N219 PolarHBondContact OD1-ND2 3.33Å
220	M	98.7	Very high	98.3	Very high	22 Å²	22	41.4 Å²	41.4	11%	0.108	23%	0.228	C	C	.	.	S	Bend	trans	-155	165.2	175.1	61.2	-176.7	72.6	0	0	109.1	G185 A189 Y192 I218 W222	G185-M220 WeakPolarHBondContact O-CE 3.35Å; A189-M220 HydrophobicContact CB-CE 4.1Å; A189-M220 HydrophobicContact CB-SD 3.99Å; A189-M220 WeakPolarHBondContact O-CE 3.2Å; A189-M220 VanDerWaalsContact O-SD 3.38Å; Y192-M220 HydrophobicContact CD2-SD 4.32Å; I218-M220 VanDerWaalsContact C-N 3.28Å; I218-M220 HydrophobicContact CG2-CG 3.76Å; I218-M220 PolarHBondContact O-N 3.48Å; M220-W222 PolarHBondContact O-N 3.44Å
221	P	98.8	Very high	98.2	Very high	52 Å²	52	43.1 Å²	43.1	34%	0.338	23%	0.232	S	C	.	.			trans	-53.5	136.3	169.3	-26	36.9	0	0	0	110.4	I6 F16 L191 Y192	I6-P221 HydrophobicContact CD1-CB 4.13Å; I6-P221 HydrophobicContact CD1-CG 3.94Å; F16-P221 HydrophobicContact CE2-CB 4.08Å; F16-P221 HydrophobicContact CZ-CB 4.29Å; L191-P221 WeakPolarHBondContact CA-O 3.42Å; L191-P221 HydrophobicContact CD1-CB 3.84Å; L191-P221 WeakPolarHBondContact CD1-O 3.33Å; Y192-P221 PolarHBondContact N-O 2.97Å
222	W	98.9	Very high	98.1	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.015	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	152.2	179.7	66.5	-85.6	0	0	0	112.3	Y192 V194 L214 N215 I218 M220 I224 A241 A246 S247	Y192-W222 CarbonylContact O-C 3.5Å; Y192-W222 WeakPolarHBondContact O-CA 3.44Å; Y192-W222 WeakPolarHBondContact O-CB 3.48Å; V194-W222 HydrophobicContact CG1-CE3 3.62Å; V194-W222 HydrophobicContact CG1-CZ3 3.92Å; L214-W222 HydrophobicContact CD2-CZ3 4.29Å; N215-W222 HydrophobicContact CB-CZ2 3.92Å; N215-W222 PolarHBondContact OD1-NE1 3.21Å; I218-W222 HydrophobicContact CD1-CB 4.1Å; I218-W222 HydrophobicContact CD1-CD2 4.21Å; I218-W222 HydrophobicContact CD1-CG 4.03Å; I218-W222 HydrophobicContact CG2-CB 3.95Å; I218-W222 HydrophobicContact CG2-CG 4.32Å; M220-W222 PolarHBondContact O-N 3.44Å; W222-I224 HydrophobicContact CE3-CG2 4.34Å; W222-I224 HydrophobicContact CZ3-CG2 3.77Å; W222-A241 HydrophobicContact CH2-CB 4.03Å; W222-A241 HydrophobicContact CZ3-CB 4.1Å; W222-A246 HydrophobicContact CD2-CB 3.64Å; W222-A246 HydrophobicContact CE3-CB 3.57Å; W222-A246 HydrophobicContact CG-CB 4.48Å; W222-A246 HydrophobicContact CH2-CB 3.6Å; W222-A246 HydrophobicContact CZ2-CB 3.62Å; W222-A246 HydrophobicContact CZ3-CB 3.57Å; W222-A246 CarbonylContact O-C 3.58Å; W222-A246 WeakPolarHBondContact O-CA 3.27Å; W222-S247 PolarHBondContact O-N 3.15Å
223	V	99	Very high	98.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	148.1	-177.1	-64.6	0	0	0	0	109.8	F16 M18 L191 Y192 K193 V194 G248 L250	F16-V223 HydrophobicContact CB-CG1 3.65Å; F16-V223 HydrophobicContact CD2-CG1 3.87Å; F16-V223 HydrophobicContact CG-CG1 3.84Å; M18-V223 HydrophobicContact CE-CG1 4.19Å; M18-V223 HydrophobicContact CE-CG2 4.09Å; L191-V223 HydrophobicContact CD1-CG1 4.18Å; L191-V223 HydrophobicContact CD2-CG2 4.15Å; L191-V223 HydrophobicContact CG-CG2 4.4Å; Y192-V223 PolarHBondContact O-N 3.2Å; K193-V223 WeakPolarHBondContact CA-O 3.36Å; K193-V223 HydrophobicContact CB-CG2 4.13Å; K193-V223 HydrophobicContact CG-CG2 4.31Å; V194-V223 PolarHBondContact N-O 3.26Å; V223-G248 VanDerWaalsContact CA-O 3.32Å; V223-G248 WeakPolarHBondContact CA-O 3.48Å; V223-G248 WeakPolarHBondContact CB-O 3.25Å; V223-L250 HydrophobicContact CG2-CB 4.07Å
224	I	98.9	Very high	98.1	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	142.7	174.5	63.1	168.6	0	0	0	111.8	V194 M196 W222 F234 A237 V238 A241 G248 F249 L250	V194-I224 HydrophobicContact CG1-CG2 4.26Å; V194-I224 CarbonylContact O-C 3.6Å; V194-I224 VanDerWaalsContact O-CA 3.32Å; V194-I224 WeakPolarHBondContact O-CA 3.47Å; M196-I224 HydrophobicContact SD-CD1 4.05Å; M196-I224 HydrophobicContact SD-CG2 4.16Å; W222-I224 HydrophobicContact CE3-CG2 4.34Å; W222-I224 HydrophobicContact CZ3-CG2 3.77Å; I224-F234 HydrophobicContact CD1-CD2 4.44Å; I224-F234 HydrophobicContact CD1-CE2 3.69Å; I224-F234 HydrophobicContact CD1-CZ 4.05Å; I224-F234 HydrophobicContact CG1-CE2 4.03Å; I224-F234 HydrophobicContact CG1-CZ 4.01Å; I224-A237 HydrophobicContact CD1-CB 3.83Å; I224-V238 HydrophobicContact CD1-CB 4.47Å; I224-V238 HydrophobicContact CD1-CG2 3.9Å; I224-V238 HydrophobicContact CG1-CG2 4.28Å; I224-A241 HydrophobicContact CD1-CB 4.16Å; I224-A241 HydrophobicContact CG1-CB 4.44Å; I224-A241 HydrophobicContact CG2-CB 3.6Å; I224-G248 PolarHBondContact N-O 3.31Å; I224-F249 HydrophobicContact CG1-CB 4.32Å; I224-F249 WeakPolarHBondContact O-CA 3.41Å; I224-F249 WeakPolarHBondContact O-CB 3.36Å; I224-L250 PolarHBondContact O-N 3.08Å
225	L	98.8	Very high	98.1	Very high	6 Å²	6	45.1 Å²	45.1	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	159.3	165.7	68.1	85	0	0	0	110.8	E159 V161 K193 V194 E195 S227 F234 L250	E159-L225 HydrophobicContact CG-CD2 3.98Å; E159-L225 VanDerWaalsContact OE1-CD2 3.3Å; E159-L225 WeakPolarHBondContact OE1-CD2 3.32Å; V161-L225 HydrophobicContact CG2-CD2 4.37Å; K193-L225 HydrophobicContact CD-CB 4.41Å; K193-L225 HydrophobicContact CG-CB 4.05Å; K193-L225 HydrophobicContact CG-CD2 4.31Å; V194-L225 WeakPolarHBondContact O-CG 3.41Å; V194-L225 PolarHBondContact O-N 3Å; E195-L225 HydrophobicContact CG-CD1 4.11Å; E195-L225 HydrophobicContact CG-CD2 3.93Å; E195-L225 HydrophobicContact CG-CG 4.31Å; L225-S227 VanDerWaalsContact CD1-CB 3.45Å; L225-S227 VanDerWaalsContact CD1-N 3.26Å; L225-F234 WeakPolarHBondContact O-CE2 3.47Å; L225-L250 WeakPolarHBondContact CA-O 3.48Å
226	S	98.5	Very high	98.1	Very high	4 Å²	4	46.5 Å²	46.5	3%	0.028	25%	0.249	C	C	.	.			trans	-96.5	-5.8	-174.8	60.3	0	0	0	0	116.1	G228 V229 F234 G252 R253 A254	S226-G228 PolarHBondContact O-N 2.93Å; S226-V229 PolarHBondContact O-N 3.4Å; S226-V229 VanDerWaalsContact O-N 3.12Å; S226-F234 VanDerWaalsContact CA-CE2 3.41Å; S226-G252 PolarHBondContact OG-N 3.42Å; S226-R253 PolarHBondContact OG-N 2.84Å; S226-A254 VanDerWaalsContact CB-CB 3.46Å; S226-A254 PolarHBondContact OG-N 2.71Å
227	S	96.1	Very high	98.1	Very high	53 Å²	53	40.6 Å²	40.6	37%	0.371	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	132	177.7	-166.2	0	0	0	0	111	L225 V229	L225-S227 VanDerWaalsContact CD1-CB 3.45Å; L225-S227 VanDerWaalsContact CD1-N 3.26Å; S227-V229 PolarHBondContact O-N 3.21Å
228	G	93.8	Very high	98.1	Very high	44 Å²	44	37.6 Å²	37.6	45%	0.454	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	-12.3	-178.3	0	0	0	0	0	115.1	Y199 S226	Y199-G228 WeakPolarHBondContact CB-O 3.39Å; Y199-G228 WeakPolarHBondContact CD1-O 3.47Å; S226-G228 PolarHBondContact O-N 2.93Å
229	V	97.7	Very high	98.1	Very high	13 Å²	13	41 Å²	41	8%	0.079	22%	0.216	C	C	.	.	S	Bend	trans	-94.9	132.5	176.7	-170.1	0	0	0	0	109.5	M196 S226 S227 L233 F234 A237	M196-V229 HydrophobicContact CB-CG2 3.66Å; M196-V229 HydrophobicContact CG-CG2 4.23Å; S226-V229 PolarHBondContact O-N 3.4Å; S226-V229 VanDerWaalsContact O-N 3.12Å; S227-V229 PolarHBondContact O-N 3.21Å; V229-L233 HydrophobicContact CG1-CB 4.18Å; V229-F234 HydrophobicContact CB-CD2 3.96Å; V229-F234 HydrophobicContact CG1-CB 4.13Å; V229-F234 HydrophobicContact CG1-CD2 3.92Å; V229-F234 HydrophobicContact CG2-CD2 4.27Å; V229-A237 HydrophobicContact CG1-CB 4.43Å
230	D	97.5	Very high	98.1	Very high	78 Å²	78	35.7 Å²	35.7	42%	0.417	19%	0.188	S	C	.	.			trans	-61.8	137	171.2	-174.2	-73.2	0	0	0	109.9	K232 L233 F234	D230-K232 PolarHBondContact O-N 2.99Å; D230-K232 VanDerWaalsContact O-N 3.12Å; D230-K232 VanDerWaalsContact OD1-CB 3.29Å; D230-K232 WeakPolarHBondContact OD1-CB 3.37Å; D230-K232 PolarHBondContact OD1-N 3.26Å; D230-L233 HydrophobicContact CB-CB 4.35Å; D230-L233 HydrophobicContact CB-CD1 4.1Å; D230-L233 HydrophobicContact CB-CG 4.13Å; D230-L233 PolarHBondContact O-N 3.24Å; D230-F234 PolarHBondContact O-N 3.47Å
231	E	97	Very high	98.1	Very high	61 Å²	61	34.7 Å²	34.7	29%	0.285	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-31.8	-176.6	61.8	171	-144.3	0	0	113.6	L233 F234 P235 A254 S258 K276	E231-L233 VanDerWaalsContact C-N 3.3Å; E231-L233 PolarHBondContact O-N 3.15Å; E231-F234 PolarHBondContact O-N 2.71Å; E231-P235 VanDerWaalsContact O-CD 3.31Å; E231-P235 WeakPolarHBondContact O-CD 3.45Å; E231-A254 HydrophobicContact CB-CB 4.17Å; E231-A254 WeakPolarHBondContact CB-O 3.23Å; E231-S258 WeakPolarHBondContact OE2-CB 3.4Å; E231-K276 IonicContact OE1-NZ 2.76Å; E231-K276 PolarHBondContact OE1-NZ 2.84Å; E231-K276 IonicContact OE2-NZ 3.66Å; E231-K276 PolarHBondContact OE2-NZ 2.93Å
232	K	97.4	Very high	98.1	Very high	171 Å²	171	32.3 Å²	32.3	74%	0.743	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-24.6	178.4	-58.8	175.9	-177	174.5	0	112.1	D230	D230-K232 PolarHBondContact O-N 2.99Å; D230-K232 VanDerWaalsContact O-N 3.12Å; D230-K232 VanDerWaalsContact OD1-CB 3.29Å; D230-K232 WeakPolarHBondContact OD1-CB 3.37Å; D230-K232 PolarHBondContact OD1-N 3.26Å
233	L	98.1	Very high	98.1	Very high	52 Å²	52	36 Å²	36	27%	0.272	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-20.5	178.8	-62.2	-179.7	0	0	0	112.5	K201 V229 D230 E231 R236 A237	K201-L233 HydrophobicContact CG-CD1 3.86Å; V229-L233 HydrophobicContact CG1-CB 4.18Å; D230-L233 HydrophobicContact CB-CB 4.35Å; D230-L233 HydrophobicContact CB-CD1 4.1Å; D230-L233 HydrophobicContact CB-CG 4.13Å; D230-L233 PolarHBondContact O-N 3.24Å; E231-L233 VanDerWaalsContact C-N 3.3Å; E231-L233 PolarHBondContact O-N 3.15Å; L233-R236 WeakPolarHBondContact O-CB 3.47Å; L233-R236 PolarHBondContact O-N 2.74Å; L233-R236 VanDerWaalsContact O-N 3.13Å; L233-A237 PolarHBondContact O-N 2.89Å
234	F	98.7	Very high	98.1	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-60.2	-39.3	-175.1	-163.6	-111.8	0	0	0	114.3	I224 L225 S226 V229 D230 E231 R236 A237 V238 F249 A251 A254 L280	I224-F234 HydrophobicContact CD1-CD2 4.44Å; I224-F234 HydrophobicContact CD1-CE2 3.69Å; I224-F234 HydrophobicContact CD1-CZ 4.05Å; I224-F234 HydrophobicContact CG1-CE2 4.03Å; I224-F234 HydrophobicContact CG1-CZ 4.01Å; L225-F234 WeakPolarHBondContact O-CE2 3.47Å; S226-F234 VanDerWaalsContact CA-CE2 3.41Å; V229-F234 HydrophobicContact CB-CD2 3.96Å; V229-F234 HydrophobicContact CG1-CB 4.13Å; V229-F234 HydrophobicContact CG1-CD2 3.92Å; V229-F234 HydrophobicContact CG2-CD2 4.27Å; D230-F234 PolarHBondContact O-N 3.47Å; E231-F234 PolarHBondContact O-N 2.71Å; F234-R236 VanDerWaalsContact C-N 3.3Å; F234-R236 PolarHBondContact O-N 3.11Å; F234-A237 HydrophobicContact CD2-CB 4.37Å; F234-A237 WeakPolarHBondContact O-CB 3.43Å; F234-A237 PolarHBondContact O-N 2.69Å; F234-A237 VanDerWaalsContact O-N 3.08Å; F234-V238 HydrophobicContact CD1-CG2 4.18Å; F234-V238 HydrophobicContact CE1-CG2 3.8Å; F234-V238 HydrophobicContact CZ-CG2 4.02Å; F234-V238 WeakPolarHBondContact O-CG2 3.33Å; F234-V238 PolarHBondContact O-N 2.85Å; F234-F249 HydrophobicContact CE1-CB 4.21Å; F234-F249 HydrophobicContact CE1-CD2 4.44Å; F234-F249 HydrophobicContact CE1-CG 4.34Å; F234-F249 HydrophobicContact CZ-CB 4.07Å; F234-A251 HydrophobicContact CD1-CB 4.41Å; F234-A251 HydrophobicContact CE1-CB 3.46Å; F234-A251 VanDerWaalsContact CE1-CB 3.46Å; F234-A251 HydrophobicContact CZ-CB 3.77Å; F234-A254 HydrophobicContact CB-CB 3.83Å; F234-A254 HydrophobicContact CD1-CB 3.9Å; F234-A254 HydrophobicContact CG-CB 3.81Å; F234-L280 HydrophobicContact CD1-CD1 3.96Å; F234-L280 HydrophobicContact CD1-CD2 3.88Å; F234-L280 HydrophobicContact CE1-CD1 4.21Å; F234-L280 HydrophobicContact CE1-CD2 4.33Å
235	P	98.7	Very high	98.1	Very high	24 Å²	24	37.6 Å²	37.6	16%	0.156	21%	0.205	C	C	.	.	H	α-helix	trans	-56.3	-41.2	173.3	-28.2	36.3	0	0	0	113.5	E231 R239 L280 I283	E231-P235 VanDerWaalsContact O-CD 3.31Å; E231-P235 WeakPolarHBondContact O-CD 3.45Å; P235-R239 PolarHBondContact O-N 3.19Å; P235-L280 HydrophobicContact CB-CD2 4.27Å; P235-L280 HydrophobicContact CG-CD2 4.09Å; P235-I283 HydrophobicContact CB-CD1 3.65Å
236	R	98.4	Very high	98.1	Very high	74 Å²	74	37.3 Å²	37.3	28%	0.279	20%	0.204	S	C	.	.	H	α-helix	trans	-67	-42	175.1	-178.1	-177.5	71.7	153.9	5.6	111.1	G200 G202 L233 F234 V238 R239 V240	G200-R236 PolarHBondContact O-NH2 3.06Å; G202-R236 PolarHBondContact O-NH1 3.22Å; G202-R236 PolarHBondContact O-NH2 2.85Å; G202-R236 VanDerWaalsContact O-NH2 3.12Å; L233-R236 WeakPolarHBondContact O-CB 3.47Å; L233-R236 PolarHBondContact O-N 2.74Å; L233-R236 VanDerWaalsContact O-N 3.13Å; F234-R236 VanDerWaalsContact C-N 3.3Å; F234-R236 PolarHBondContact O-N 3.11Å; R236-V238 VanDerWaalsContact C-N 3.32Å; R236-V238 PolarHBondContact O-N 3.14Å; R236-R239 PolarHBondContact O-N 3.3Å; R236-V240 HydrophobicContact CG-CG2 4.42Å; R236-V240 WeakPolarHBondContact O-CG2 3.3Å; R236-V240 PolarHBondContact O-N 3.43Å
237	A	98.7	Very high	98.1	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.2	-44.1	177.6	0	0	0	0	0	111.7	M196 I224 V229 L233 F234 R239 V240 A241	M196-A237 HydrophobicContact CE-CB 4.24Å; M196-A237 HydrophobicContact CG-CB 3.97Å; M196-A237 HydrophobicContact SD-CB 3.95Å; I224-A237 HydrophobicContact CD1-CB 3.83Å; V229-A237 HydrophobicContact CG1-CB 4.43Å; L233-A237 PolarHBondContact O-N 2.89Å; F234-A237 HydrophobicContact CD2-CB 4.37Å; F234-A237 WeakPolarHBondContact O-CB 3.43Å; F234-A237 PolarHBondContact O-N 2.69Å; F234-A237 VanDerWaalsContact O-N 3.08Å; A237-R239 PolarHBondContact O-N 3.48Å; A237-V240 PolarHBondContact O-N 2.76Å; A237-A241 WeakPolarHBondContact O-CB 3.39Å; A237-A241 PolarHBondContact O-N 3.35Å
238	V	98.9	Very high	98.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.7	-47.5	175.9	176.4	0	0	0	0	111.1	I224 F234 R236 V240 A241 M242 F249 L280 I283 V284	I224-V238 HydrophobicContact CD1-CB 4.47Å; I224-V238 HydrophobicContact CD1-CG2 3.9Å; I224-V238 HydrophobicContact CG1-CG2 4.28Å; F234-V238 HydrophobicContact CD1-CG2 4.18Å; F234-V238 HydrophobicContact CE1-CG2 3.8Å; F234-V238 HydrophobicContact CZ-CG2 4.02Å; F234-V238 WeakPolarHBondContact O-CG2 3.33Å; F234-V238 PolarHBondContact O-N 2.85Å; R236-V238 VanDerWaalsContact C-N 3.32Å; R236-V238 PolarHBondContact O-N 3.14Å; V238-V240 PolarHBondContact O-N 3.33Å; V238-A241 PolarHBondContact O-N 2.78Å; V238-M242 HydrophobicContact CG1-CG 4.28Å; V238-M242 HydrophobicContact CG1-SD 3.89Å; V238-M242 WeakPolarHBondContact O-CB 3.47Å; V238-M242 VanDerWaalsContact O-CG 3.32Å; V238-M242 WeakPolarHBondContact O-CG 3.3Å; V238-M242 PolarHBondContact O-N 2.81Å; V238-F249 HydrophobicContact CG1-CD1 4.24Å; V238-F249 HydrophobicContact CG2-CB 4.07Å; V238-F249 HydrophobicContact CG2-CD1 4.17Å; V238-F249 HydrophobicContact CG2-CG 4.37Å; V238-L280 HydrophobicContact CG2-CD2 4.06Å; V238-I283 HydrophobicContact CB-CG2 4.35Å; V238-I283 HydrophobicContact CG1-CG2 3.88Å; V238-V284 HydrophobicContact CG1-CG2 4.12Å
239	R	98.7	Very high	98.5	Very high	85 Å²	85	33.4 Å²	33.4	32%	0.321	17%	0.169	S	C	.	.	H	α-helix	trans	-57.5	-47.7	177.6	-70.4	-179.7	-178.9	-77.8	7.7	111.9	P235 R236 A237 M242 T243 I283 E286	P235-R239 PolarHBondContact O-N 3.19Å; R236-R239 PolarHBondContact O-N 3.3Å; A237-R239 PolarHBondContact O-N 3.48Å; R239-M242 PolarHBondContact O-N 2.81Å; R239-T243 WeakPolarHBondContact O-CB 3.49Å; R239-T243 PolarHBondContact O-N 3.22Å; R239-T243 PolarHBondContact O-OG1 2.84Å; R239-I283 HydrophobicContact CG-CG2 3.51Å; R239-E286 IonicContact CZ-OE1 3.66Å; R239-E286 IonicContact CZ-OE2 3.03Å; R239-E286 VanDerWaalsContact CZ-OE2 3.25Å; R239-E286 IonicContact NH1-OE1 3.39Å; R239-E286 PolarHBondContact NH1-OE1 2.91Å; R239-E286 IonicContact NH1-OE2 3.98Å; R239-E286 PolarHBondContact NH1-OE2 2.92Å; R239-E286 IonicContact NH2-OE2 2.92Å; R239-E286 PolarHBondContact NH2-OE2 3.47Å
240	V	98.7	Very high	98.5	Very high	6 Å²	6	32.8 Å²	32.8	4%	0.036	17%	0.166	C	C	.	.	H	α-helix	trans	-64.8	-48.4	-179.4	174.2	0	0	0	0	111.2	M196 Q204 L207 L208 R236 A237 V238 M242 T243 A244	M196-V240 HydrophobicContact CE-CG1 4.49Å; Q204-V240 HydrophobicContact CG-CG2 3.98Å; L207-V240 HydrophobicContact CB-CG1 3.81Å; L208-V240 HydrophobicContact CB-CG1 4.1Å; L208-V240 HydrophobicContact CD1-CG1 4.43Å; R236-V240 HydrophobicContact CG-CG2 4.42Å; R236-V240 WeakPolarHBondContact O-CG2 3.3Å; R236-V240 PolarHBondContact O-N 3.43Å; A237-V240 PolarHBondContact O-N 2.76Å; V238-V240 PolarHBondContact O-N 3.33Å; V240-M242 VanDerWaalsContact C-N 3.32Å; V240-M242 PolarHBondContact O-N 2.95Å; V240-T243 WeakPolarHBondContact O-CB 3.39Å; V240-T243 PolarHBondContact O-N 3.42Å; V240-A244 PolarHBondContact O-N 3.38Å
241	A	98.8	Very high	98.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.7	-44.8	178.4	0	0	0	0	0	111.4	M196 W222 I224 A237 V238 T243 A244 G245 A246	M196-A241 HydrophobicContact SD-CB 4.49Å; W222-A241 HydrophobicContact CH2-CB 4.03Å; W222-A241 HydrophobicContact CZ3-CB 4.1Å; I224-A241 HydrophobicContact CD1-CB 4.16Å; I224-A241 HydrophobicContact CG1-CB 4.44Å; I224-A241 HydrophobicContact CG2-CB 3.6Å; A237-A241 WeakPolarHBondContact O-CB 3.39Å; A237-A241 PolarHBondContact O-N 3.35Å; V238-A241 PolarHBondContact O-N 2.78Å; A241-T243 VanDerWaalsContact C-N 3.33Å; A241-T243 PolarHBondContact O-N 3.01Å; A241-A244 CarbonylContact O-C 3.36Å; A241-A244 WeakPolarHBondContact O-CB 3.44Å; A241-A244 PolarHBondContact O-N 2.99Å; A241-A244 VanDerWaalsContact O-N 3.12Å; A241-G245 PolarHBondContact O-N 3.27Å; A241-A246 VanDerWaalsContact C-CB 3.42Å; A241-A246 HydrophobicContact CB-CB 3.81Å; A241-A246 VanDerWaalsContact O-CB 3.26Å; A241-A246 WeakPolarHBondContact O-CB 3.27Å; A241-A246 PolarHBondContact O-N 3.24Å
242	M	98.8	Very high	98.6	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.015	13%	0.134	C	C	.	.	H	α-helix	trans	-69.2	-31	178.9	-68.9	-173.4	75	0	0	113.7	V238 R239 V240 A244 G245 A246 V284 M287 M288 R291	V238-M242 HydrophobicContact CG1-CG 4.28Å; V238-M242 HydrophobicContact CG1-SD 3.89Å; V238-M242 WeakPolarHBondContact O-CB 3.47Å; V238-M242 VanDerWaalsContact O-CG 3.32Å; V238-M242 WeakPolarHBondContact O-CG 3.3Å; V238-M242 PolarHBondContact O-N 2.81Å; R239-M242 PolarHBondContact O-N 2.81Å; V240-M242 VanDerWaalsContact C-N 3.32Å; V240-M242 PolarHBondContact O-N 2.95Å; M242-A244 VanDerWaalsContact C-N 3.28Å; M242-G245 PolarHBondContact O-N 2.85Å; M242-A246 VanDerWaalsContact CA-O 3.28Å; M242-A246 WeakPolarHBondContact CA-O 3.42Å; M242-A246 HydrophobicContact CG-CB 4.32Å; M242-A246 WeakPolarHBondContact CG-O 3.42Å; M242-V284 HydrophobicContact CE-CB 4.43Å; M242-V284 HydrophobicContact CE-CG1 4.03Å; M242-V284 HydrophobicContact SD-CB 4.22Å; M242-V284 HydrophobicContact SD-CG1 4.36Å; M242-V284 HydrophobicContact SD-CG2 3.86Å; M242-M287 HydrophobicContact CB-CB 3.97Å; M242-M287 HydrophobicContact CB-CE 4.34Å; M242-M287 HydrophobicContact CB-CG 4.16Å; M242-M287 HydrophobicContact CE-CB 3.55Å; M242-M287 HydrophobicContact SD-CB 3.71Å; M242-M287 HydrophobicContact SD-CG 4.12Å; M242-M288 HydrophobicContact CE-CG 3.96Å; M242-M288 HydrophobicContact CE-SD 3.93Å; M242-R291 PolarHBondContact O-NH2 3.05Å
243	T	98.6	Very high	98.6	Very high	82 Å²	82	22.6 Å²	22.6	50%	0.503	12%	0.115	S	C	.	.	H	α-helix	trans	-65.4	-35.7	171.4	-55.9	0	0	0	0	110.8	L208 R239 V240 A241 M287	L208-T243 HydrophobicContact CD1-CG2 3.91Å; R239-T243 WeakPolarHBondContact O-CB 3.49Å; R239-T243 PolarHBondContact O-N 3.22Å; R239-T243 PolarHBondContact O-OG1 2.84Å; V240-T243 WeakPolarHBondContact O-CB 3.39Å; V240-T243 PolarHBondContact O-N 3.42Å; A241-T243 VanDerWaalsContact C-N 3.33Å; A241-T243 PolarHBondContact O-N 3.01Å; T243-M287 WeakPolarHBondContact OG1-CE 3.48Å
244	A	98.6	Very high	98.6	Very high	10 Å²	10	20.5 Å²	20.5	8%	0.083	11%	0.105	C	C	.	.	H	α-helix	trans	-78.8	-16.9	177.5	0	0	0	0	0	114.6	L208 S211 Q212 N215 V240 A241 M242	L208-A244 HydrophobicContact CD1-CB 4.13Å; S211-A244 VanDerWaalsContact CB-CB 3.41Å; Q212-A244 HydrophobicContact CG-CB 3.8Å; N215-A244 WeakPolarHBondContact CB-O 3.33Å; N215-A244 PolarHBondContact OD1-O 2.86Å; V240-A244 PolarHBondContact O-N 3.38Å; A241-A244 CarbonylContact O-C 3.36Å; A241-A244 WeakPolarHBondContact O-CB 3.44Å; A241-A244 PolarHBondContact O-N 2.99Å; A241-A244 VanDerWaalsContact O-N 3.12Å; M242-A244 VanDerWaalsContact C-N 3.28Å
245	G	98.6	Very high	98.6	Very high	23 Å²	23	20.5 Å²	20.5	24%	0.237	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	137.8	-12.8	176.2	0	0	0	0	0	115.4	N215 A241 M242 R291	N215-G245 WeakPolarHBondContact OD1-CA 3.37Å; A241-G245 PolarHBondContact O-N 3.27Å; M242-G245 PolarHBondContact O-N 2.85Å; G245-R291 PolarHBondContact O-NH2 3.24Å
246	A	98.8	Very high	98.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.098	C	C	.	.			trans	-58.1	152.3	176.9	0	0	0	0	0	111.6	W222 A241 M242 R291	W222-A246 HydrophobicContact CD2-CB 3.64Å; W222-A246 HydrophobicContact CE3-CB 3.57Å; W222-A246 HydrophobicContact CG-CB 4.48Å; W222-A246 HydrophobicContact CH2-CB 3.6Å; W222-A246 HydrophobicContact CZ2-CB 3.62Å; W222-A246 HydrophobicContact CZ3-CB 3.57Å; W222-A246 CarbonylContact O-C 3.58Å; W222-A246 WeakPolarHBondContact O-CA 3.27Å; A241-A246 VanDerWaalsContact C-CB 3.42Å; A241-A246 HydrophobicContact CB-CB 3.81Å; A241-A246 VanDerWaalsContact O-CB 3.26Å; A241-A246 WeakPolarHBondContact O-CB 3.27Å; A241-A246 PolarHBondContact O-N 3.24Å; M242-A246 VanDerWaalsContact CA-O 3.28Å; M242-A246 WeakPolarHBondContact CA-O 3.42Å; M242-A246 HydrophobicContact CG-CB 4.32Å; M242-A246 WeakPolarHBondContact CG-O 3.42Å; A246-R291 PolarHBondContact O-NH2 3.39Å
247	S	98.8	Very high	98.5	Very high	18 Å²	18	17.2 Å²	17.2	13%	0.126	10%	0.096	C	C	.	.			trans	-105.7	6.7	179	-61.5	0	0	0	0	113.2	G15 F16 W222 R291	G15-S247 WeakPolarHBondContact CA-O 3.3Å; F16-S247 WeakPolarHBondContact CD2-O 3.5Å; F16-S247 PolarHBondContact N-O 3.25Å; W222-S247 PolarHBondContact O-N 3.15Å; S247-R291 PolarHBondContact OG-NH1 2.99Å
248	G	98.9	Very high	98.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.8	-144.2	174.6	0	0	0	0	0	114.3	F16 V223 I224	F16-G248 CarbonylContact O-C 3.25Å; F16-G248 WeakPolarHBondContact O-CA 3.46Å; V223-G248 VanDerWaalsContact CA-O 3.32Å; V223-G248 WeakPolarHBondContact CA-O 3.48Å; V223-G248 WeakPolarHBondContact CB-O 3.25Å; I224-G248 PolarHBondContact N-O 3.31Å
249	F	98.9	Very high	98.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	156	-178.5	68	-90.9	0	0	0	112.9	F16 A17 M18 I224 F234 V238 A251 L277 L280 V284	F16-F249 PolarHBondContact O-N 3.15Å; A17-F249 HydrophobicContact CB-CE1 3.65Å; A17-F249 HydrophobicContact CB-CZ 3.64Å; M18-F249 PolarHBondContact N-O 3.17Å; M18-F249 WeakPolarHBondContact O-CD2 3.36Å; M18-F249 VanDerWaalsContact O-CE2 3.26Å; M18-F249 WeakPolarHBondContact O-CE2 3.44Å; I224-F249 HydrophobicContact CG1-CB 4.32Å; I224-F249 WeakPolarHBondContact O-CA 3.41Å; I224-F249 WeakPolarHBondContact O-CB 3.36Å; F234-F249 HydrophobicContact CE1-CB 4.21Å; F234-F249 HydrophobicContact CE1-CD2 4.44Å; F234-F249 HydrophobicContact CE1-CG 4.34Å; F234-F249 HydrophobicContact CZ-CB 4.07Å; V238-F249 HydrophobicContact CG1-CD1 4.24Å; V238-F249 HydrophobicContact CG2-CB 4.07Å; V238-F249 HydrophobicContact CG2-CD1 4.17Å; V238-F249 HydrophobicContact CG2-CG 4.37Å; F249-A251 HydrophobicContact CD2-CB 3.55Å; F249-A251 HydrophobicContact CE2-CB 4.13Å; F249-A251 HydrophobicContact CG-CB 4.45Å; F249-L277 HydrophobicContact CE2-CD1 3.81Å; F249-L277 HydrophobicContact CZ-CD1 3.81Å; F249-L280 HydrophobicContact CD1-CB 4.31Å; F249-L280 HydrophobicContact CE1-CB 3.49Å; F249-L280 VanDerWaalsContact CE1-CB 3.49Å; F249-L280 HydrophobicContact CE2-CB 4.37Å; F249-L280 HydrophobicContact CE2-CD1 4.4Å; F249-L280 HydrophobicContact CZ-CB 3.51Å; F249-L280 HydrophobicContact CZ-CD1 4.32Å; F249-V284 HydrophobicContact CD1-CG2 3.65Å; F249-V284 HydrophobicContact CE1-CG2 3.66Å
250	L	98.9	Very high	98.1	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	94.3	161.2	175.5	50	0	0	0	108.5	M18 A20 L64 K193 V223 I224 L225	M18-L250 HydrophobicContact CB-CB 4.22Å; M18-L250 HydrophobicContact CB-CD1 3.51Å; M18-L250 HydrophobicContact CB-CG 4.37Å; M18-L250 HydrophobicContact CE-CB 3.82Å; M18-L250 HydrophobicContact CE-CD2 4.36Å; M18-L250 HydrophobicContact CE-CG 4.5Å; M18-L250 WeakPolarHBondContact O-CA 3.45Å; A20-L250 HydrophobicContact CB-CD1 3.92Å; A20-L250 HydrophobicContact CB-CG 4.37Å; L64-L250 HydrophobicContact CB-CD1 4.15Å; L64-L250 HydrophobicContact CD2-CD2 4.01Å; K193-L250 HydrophobicContact CD-CB 4.12Å; K193-L250 HydrophobicContact CD-CD2 3.59Å; K193-L250 HydrophobicContact CD-CG 3.93Å; K193-L250 HydrophobicContact CG-CB 4.31Å; K193-L250 HydrophobicContact CG-CD2 4.43Å; V223-L250 HydrophobicContact CG2-CB 4.07Å; I224-L250 PolarHBondContact O-N 3.08Å; L225-L250 WeakPolarHBondContact CA-O 3.48Å
251	A	98.7	Very high	97.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	140.5	-164.5	0	0	0	0	0	112.2	M18 L19 A20 F234 F249 V255	M18-A251 PolarHBondContact O-N 2.92Å; L19-A251 CarbonylContact C-O 3.47Å; L19-A251 WeakPolarHBondContact CA-O 3.46Å; A20-A251 PolarHBondContact N-O 3.39Å; F234-A251 HydrophobicContact CD1-CB 4.41Å; F234-A251 HydrophobicContact CE1-CB 3.46Å; F234-A251 VanDerWaalsContact CE1-CB 3.46Å; F234-A251 HydrophobicContact CZ-CB 3.77Å; F249-A251 HydrophobicContact CD2-CB 3.55Å; F249-A251 HydrophobicContact CE2-CB 4.13Å; F249-A251 HydrophobicContact CG-CB 4.45Å; A251-V255 HydrophobicContact CB-CG2 4.38Å
252	G	98.2	Very high	97.6	Very high	3 Å²	3	21.3 Å²	21.3	3%	0.031	14%	0.137	C	C	.	.	S	Bend	trans	-119.5	-76.3	172.9	0	0	0	0	0	111.4	A20 S226 A254 V255 W256	A20-G252 WeakPolarHBondContact O-CA 3.49Å; S226-G252 PolarHBondContact OG-N 3.42Å; G252-A254 PolarHBondContact O-N 3.45Å; G252-V255 WeakPolarHBondContact O-CA 3.45Å; G252-V255 WeakPolarHBondContact O-CB 3.36Å; G252-V255 PolarHBondContact O-N 2.76Å; G252-W256 VanDerWaalsContact C-NE1 3.25Å; G252-W256 PolarHBondContact O-N 3.5Å; G252-W256 VanDerWaalsContact O-N 3.16Å; G252-W256 PolarHBondContact O-NE1 2.9Å
253	R	97.2	Very high	97.1	Very high	93 Å²	93	25.6 Å²	25.6	35%	0.351	16%	0.164	S	C	.	.	H	α-helix	trans	-57.1	-42	-168.9	-65.3	-175.6	-171.1	-178	4.5	114.6	M30 S226 V255 W256 A257	M30-R253 HydrophobicContact CE-CG 4.41Å; M30-R253 HydrophobicContact SD-CG 4.44Å; S226-R253 PolarHBondContact OG-N 2.84Å; R253-V255 PolarHBondContact O-N 3.35Å; R253-V255 VanDerWaalsContact O-N 3.07Å; R253-W256 HydrophobicContact CG-CH2 4.05Å; R253-W256 HydrophobicContact CG-CZ2 4.19Å; R253-W256 PolarHBondContact O-N 3.07Å; R253-A257 HydrophobicContact CB-CB 3.92Å; R253-A257 HydrophobicContact CG-CB 4.45Å; R253-A257 WeakPolarHBondContact O-CB 3.28Å; R253-A257 PolarHBondContact O-N 3.37Å
254	A	97.5	Very high	96.7	Very high	8 Å²	8	27.2 Å²	27.2	7%	0.066	17%	0.17	C	C	.	.	H	α-helix	trans	-62.6	-14.3	175.7	0	0	0	0	0	114.5	S226 E231 F234 G252	S226-A254 VanDerWaalsContact CB-CB 3.46Å; S226-A254 PolarHBondContact OG-N 2.71Å; E231-A254 HydrophobicContact CB-CB 4.17Å; E231-A254 WeakPolarHBondContact CB-O 3.23Å; F234-A254 HydrophobicContact CB-CB 3.83Å; F234-A254 HydrophobicContact CD1-CB 3.9Å; F234-A254 HydrophobicContact CG-CB 3.81Å; G252-A254 PolarHBondContact O-N 3.45Å
255	V	98.4	Very high	96.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-94	-53.2	176.2	179.1	0	0	0	0	110.6	L19 L56 A251 G252 R253 C273 L277 L280	L19-V255 HydrophobicContact CD1-CB 4.47Å; L19-V255 HydrophobicContact CD1-CG1 4.28Å; L56-V255 HydrophobicContact CD1-CG1 4.05Å; A251-V255 HydrophobicContact CB-CG2 4.38Å; G252-V255 WeakPolarHBondContact O-CA 3.45Å; G252-V255 WeakPolarHBondContact O-CB 3.36Å; G252-V255 PolarHBondContact O-N 2.76Å; R253-V255 PolarHBondContact O-N 3.35Å; R253-V255 VanDerWaalsContact O-N 3.07Å; V255-C273 HydrophobicContact CG1-CB 4.12Å; V255-C273 WeakPolarHBondContact O-CB 3.36Å; V255-C273 PolarHBondContact O-SG 3.02Å; V255-L277 HydrophobicContact CG1-CB 4.03Å; V255-L277 HydrophobicContact CG2-CD1 4.29Å; V255-L280 HydrophobicContact CG2-CD1 4.06Å
256	W	98	Very high	95.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-118.1	-5.4	-166.2	58.5	-108.3	0	0	0	116	A20 Q23 M27 M30 F48 G252 R253 S258 V259 V260 L269	A20-W256 PolarHBondContact O-NE1 3.22Å; Q23-W256 HydrophobicContact CB-CH2 4.49Å; Q23-W256 HydrophobicContact CG-CH2 4.33Å; Q23-W256 HydrophobicContact CG-CZ2 4.27Å; M27-W256 HydrophobicContact CE-CE3 4.3Å; M27-W256 HydrophobicContact CE-CH2 3.52Å; M27-W256 HydrophobicContact CE-CZ2 3.9Å; M27-W256 HydrophobicContact CE-CZ3 3.72Å; M30-W256 HydrophobicContact CE-CH2 4.18Å; M30-W256 HydrophobicContact CE-CZ3 3.65Å; M30-W256 HydrophobicContact SD-CH2 4.09Å; M30-W256 HydrophobicContact SD-CZ3 4.04Å; F48-W256 HydrophobicContact CE1-CB 4.49Å; F48-W256 AromaticContact CE1-CD2 3.95Å; F48-W256 HydrophobicContact CE1-CD2 3.95Å; F48-W256 AromaticContact CE1-CE3 3.6Å; F48-W256 HydrophobicContact CE1-CE3 3.6Å; F48-W256 HydrophobicContact CE1-CG 4.31Å; F48-W256 HydrophobicContact CE1-CZ3 4.26Å; F48-W256 HydrophobicContact CZ-CB 4.11Å; F48-W256 HydrophobicContact CZ-CD2 4.26Å; F48-W256 AromaticContact CZ-CE3 3.81Å; F48-W256 HydrophobicContact CZ-CE3 3.81Å; F48-W256 HydrophobicContact CZ-CG 4.39Å; G252-W256 VanDerWaalsContact C-NE1 3.25Å; G252-W256 PolarHBondContact O-N 3.5Å; G252-W256 VanDerWaalsContact O-N 3.16Å; G252-W256 PolarHBondContact O-NE1 2.9Å; R253-W256 HydrophobicContact CG-CH2 4.05Å; R253-W256 HydrophobicContact CG-CZ2 4.19Å; R253-W256 PolarHBondContact O-N 3.07Å; W256-S258 VanDerWaalsContact C-N 3.29Å; W256-S258 PolarHBondContact O-N 3.13Å; W256-V259 WeakPolarHBondContact O-CG2 3.35Å; W256-V259 PolarHBondContact O-N 3.35Å; W256-V260 HydrophobicContact CE3-CG2 3.82Å; W256-V260 HydrophobicContact CZ3-CG2 3.88Å; W256-L269 HydrophobicContact CB-CD2 4.28Å
257	A	97.1	Very high	95.8	Very high	30 Å²	30	37.6 Å²	37.6	25%	0.248	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-63.9	-35	-177.1	0	0	0	0	0	112.9	M30 R253 V259 V260	M30-A257 HydrophobicContact CE-CB 3.39Å; R253-A257 HydrophobicContact CB-CB 3.92Å; R253-A257 HydrophobicContact CG-CB 4.45Å; R253-A257 WeakPolarHBondContact O-CB 3.28Å; R253-A257 PolarHBondContact O-N 3.37Å; A257-V259 PolarHBondContact O-N 3.32Å; A257-V259 VanDerWaalsContact O-N 3.13Å; A257-V260 PolarHBondContact O-N 3.15Å
258	S	96.2	Very high	95.7	Very high	49 Å²	49	38.9 Å²	38.9	34%	0.343	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-64.8	-16.4	-176.4	66.3	0	0	0	0	114.2	E231 W256 K276	E231-S258 WeakPolarHBondContact OE2-CB 3.4Å; W256-S258 VanDerWaalsContact C-N 3.29Å; W256-S258 PolarHBondContact O-N 3.13Å; S258-K276 PolarHBondContact OG-NZ 3.37Å
259	V	97	Very high	95.7	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-104.2	-5.1	-177.9	-56	0	0	0	0	113.3	F48 W256 A257 G261 L262 M268 L269 V272 C273	F48-V259 HydrophobicContact CE2-CG2 4.08Å; F48-V259 HydrophobicContact CZ-CG2 4.2Å; W256-V259 WeakPolarHBondContact O-CG2 3.35Å; W256-V259 PolarHBondContact O-N 3.35Å; A257-V259 PolarHBondContact O-N 3.32Å; A257-V259 VanDerWaalsContact O-N 3.13Å; V259-G261 PolarHBondContact O-N 3.34Å; V259-L262 HydrophobicContact CB-CD1 4.4Å; V259-L262 WeakPolarHBondContact O-CB 3.44Å; V259-L262 PolarHBondContact O-N 3.41Å; V259-L262 VanDerWaalsContact O-N 3.15Å; V259-M268 HydrophobicContact CB-CB 3.86Å; V259-M268 HydrophobicContact CG1-CB 3.83Å; V259-L269 HydrophobicContact CG2-CD2 4.17Å; V259-V272 HydrophobicContact CG1-CB 3.93Å; V259-V272 HydrophobicContact CG1-CG1 4.02Å; V259-V272 HydrophobicContact CG1-CG2 4.43Å; V259-C273 VanDerWaalsContact CG1-SG 3.59Å; V259-C273 VanDerWaalsContact CG2-SG 3.53Å
260	V	96.1	Very high	95.6	Very high	13 Å²	13	45.7 Å²	45.7	8%	0.079	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	124.3	177.9	173.8	0	0	0	0	109.6	M30 F31 A34 F48 W256 A257 L262	M30-V260 HydrophobicContact CB-CG1 4.12Å; M30-V260 HydrophobicContact CE-CG2 4.24Å; F31-V260 HydrophobicContact CB-CG1 4.37Å; F31-V260 HydrophobicContact CD1-CG1 3.79Å; F31-V260 HydrophobicContact CD2-CG1 3.85Å; F31-V260 HydrophobicContact CE1-CG1 3.94Å; F31-V260 HydrophobicContact CE2-CG1 4Å; F31-V260 HydrophobicContact CG-CG1 3.74Å; F31-V260 HydrophobicContact CZ-CG1 4.04Å; A34-V260 HydrophobicContact CB-CG1 4.37Å; A34-V260 WeakPolarHBondContact CB-O 3.48Å; F48-V260 HydrophobicContact CE1-CG2 4.38Å; F48-V260 HydrophobicContact CE2-CG2 4.28Å; F48-V260 HydrophobicContact CZ-CG2 3.91Å; W256-V260 HydrophobicContact CE3-CG2 3.82Å; W256-V260 HydrophobicContact CZ3-CG2 3.88Å; A257-V260 PolarHBondContact O-N 3.15Å; V260-L262 VanDerWaalsContact C-N 3.34Å
261	G	91.6	Very high	95.5	Very high	36 Å²	36	49.5 Å²	49.5	37%	0.371	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	-2.7	179.8	0	0	0	0	0	115.2	V259	V259-G261 PolarHBondContact O-N 3.34Å
262	L	94.2	Very high	95.4	Very high	78 Å²	78	52 Å²	52	41%	0.408	28%	0.28	S	S	.	.			trans	-76.7	152.9	172	-60.9	-172.9	0	0	0	111.1	V259 V260 N265 M268	V259-L262 HydrophobicContact CB-CD1 4.4Å; V259-L262 WeakPolarHBondContact O-CB 3.44Å; V259-L262 PolarHBondContact O-N 3.41Å; V259-L262 VanDerWaalsContact O-N 3.15Å; V260-L262 VanDerWaalsContact C-N 3.34Å; L262-N265 PolarHBondContact O-OD1 3.42Å; L262-M268 HydrophobicContact CB-CG 4.19Å; L262-M268 HydrophobicContact CD1-SD 4.24Å
263	P	89.1	Confident	95.5	Very high	92 Å²	92	51.8 Å²	51.8	60%	0.597	28%	0.278	S	S	*	.	S	Bend	trans	-65.9	160.4	171.5	29.6	-35.2	0	0	0	111.3	M268	P263-M268 VanDerWaalsContact O-CG 3.32Å; P263-M268 WeakPolarHBondContact O-CG 3.37Å
264	D	90.7	Very high	95.5	Very high	117 Å²	117	47.5 Å²	47.5	63%	0.626	26%	0.262	S	S	*	.			trans	53.6	55.8	176.2	-57.3	-45.2	0	0	0	113.9	E266 L267 M268	D264-E266 PolarHBondContact O-N 3.12Å; D264-L267 HydrophobicContact CB-CB 4.12Å; D264-L267 WeakPolarHBondContact O-CB 3.49Å; D264-L267 PolarHBondContact O-N 3.41Å; D264-M268 PolarHBondContact O-N 2.97Å
265	N	89	Confident	95.6	Very high	45 Å²	45	50.2 Å²	50.2	24%	0.241	28%	0.28	C	S	.	.	H	α-helix	trans	-45.4	-43.4	-176.8	-77.4	-32.1	0	0	0	113.9	L262 L267 M268 L269	L262-N265 PolarHBondContact O-OD1 3.42Å; N265-L267 PolarHBondContact O-N 2.95Å; N265-M268 PolarHBondContact O-N 3.45Å; N265-L269 WeakPolarHBondContact O-CB 3.33Å; N265-L269 WeakPolarHBondContact O-CD1 3.2Å; N265-L269 WeakPolarHBondContact O-CG 3.38Å; N265-L269 PolarHBondContact O-N 3.31Å
266	E	91.3	Very high	95.6	Very high	127 Å²	127	52.3 Å²	52.3	59%	0.593	29%	0.289	S	S	*	.	H	α-helix	trans	-62.4	-42.8	179.7	-68.5	-177.4	-169.5	0	0	112.3	N51 D264 R270	N51-E266 HydrophobicContact CB-CG 4.23Å; N51-E266 WeakPolarHBondContact ND2-CG 3.48Å; N51-E266 PolarHBondContact ND2-OE1 3.24Å; D264-E266 PolarHBondContact O-N 3.12Å; E266-R270 WeakPolarHBondContact O-CB 3.27Å; E266-R270 PolarHBondContact O-N 3.07Å
267	L	95.4	Very high	95.6	Very high	78 Å²	78	52.3 Å²	52.3	41%	0.408	29%	0.289	S	S	.	.	H	α-helix	trans	-68.4	-42.5	178.2	-167.4	147.2	0	0	0	110.3	D264 N265 R270 D271	D264-L267 HydrophobicContact CB-CB 4.12Å; D264-L267 WeakPolarHBondContact O-CB 3.49Å; D264-L267 PolarHBondContact O-N 3.41Å; N265-L267 PolarHBondContact O-N 2.95Å; L267-R270 PolarHBondContact O-N 3.04Å; L267-D271 HydrophobicContact CD2-CB 4.48Å; L267-D271 VanDerWaalsContact CD2-OD2 3.27Å; L267-D271 WeakPolarHBondContact CD2-OD2 3.32Å; L267-D271 WeakPolarHBondContact CG-OD2 3.48Å; L267-D271 WeakPolarHBondContact O-CB 3.49Å; L267-D271 PolarHBondContact O-N 3Å
268	M	97.5	Very high	95.7	Very high	46 Å²	46	55.3 Å²	55.3	23%	0.227	30%	0.298	C	S	.	.	H	α-helix	trans	-64.6	-41.3	177.2	-64.4	-62.9	155.1	0	0	112.3	V259 L262 P263 D264 N265 R270 V272 C273	V259-M268 HydrophobicContact CB-CB 3.86Å; V259-M268 HydrophobicContact CG1-CB 3.83Å; L262-M268 HydrophobicContact CB-CG 4.19Å; L262-M268 HydrophobicContact CD1-SD 4.24Å; P263-M268 VanDerWaalsContact O-CG 3.32Å; P263-M268 WeakPolarHBondContact O-CG 3.37Å; D264-M268 PolarHBondContact O-N 2.97Å; N265-M268 PolarHBondContact O-N 3.45Å; M268-R270 VanDerWaalsContact C-N 3.34Å; M268-R270 PolarHBondContact O-N 3.5Å; M268-V272 WeakPolarHBondContact O-CA 3.33Å; M268-V272 VanDerWaalsContact O-CB 3.25Å; M268-V272 WeakPolarHBondContact O-CB 3.37Å; M268-V272 PolarHBondContact O-N 2.68Å; M268-V272 HydrophobicContact SD-CG2 4.39Å; M268-C273 PolarHBondContact O-N 2.86Å
269	L	98.1	Very high	95.8	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.305	C	S	.	.	I	π-helix	trans	-61.8	-43.5	174.2	-73.5	163.6	0	0	0	111.1	F48 N51 A52 A55 L56 W256 V259 N265 C273 A274	F48-L269 HydrophobicContact CE2-CD2 4.3Å; F48-L269 HydrophobicContact CZ-CD2 4.19Å; N51-L269 HydrophobicContact CB-CD1 3.88Å; A52-L269 HydrophobicContact CB-CD1 4.22Å; A52-L269 HydrophobicContact CB-CD2 3.98Å; A55-L269 HydrophobicContact CB-CB 3.93Å; L56-L269 HydrophobicContact CD1-CD2 3.99Å; L56-L269 WeakPolarHBondContact CD2-O 3.14Å; W256-L269 HydrophobicContact CB-CD2 4.28Å; V259-L269 HydrophobicContact CG2-CD2 4.17Å; N265-L269 WeakPolarHBondContact O-CB 3.33Å; N265-L269 WeakPolarHBondContact O-CD1 3.2Å; N265-L269 WeakPolarHBondContact O-CG 3.38Å; N265-L269 PolarHBondContact O-N 3.31Å; L269-C273 HydrophobicContact CD2-CB 4.33Å; L269-C273 CarbonylContact O-C 3.59Å; L269-C273 WeakPolarHBondContact O-CA 3.01Å; L269-C273 VanDerWaalsContact O-CB 3.27Å; L269-C273 WeakPolarHBondContact O-CB 3.46Å; L269-C273 PolarHBondContact O-N 2.78Å; L269-A274 PolarHBondContact O-N 3.07Å
270	R	96.9	Very high	95.9	Very high	143 Å²	143	58.1 Å²	58.1	54%	0.54	31%	0.306	S	S	.	.	I	π-helix	trans	-68.1	-46.8	178.8	-170.3	-169	69.6	-168.4	-5.7	112.6	E266 L267 M268 A274 P275	E266-R270 WeakPolarHBondContact O-CB 3.27Å; E266-R270 PolarHBondContact O-N 3.07Å; L267-R270 PolarHBondContact O-N 3.04Å; M268-R270 VanDerWaalsContact C-N 3.34Å; M268-R270 PolarHBondContact O-N 3.5Å; R270-A274 VanDerWaalsContact O-CB 3.28Å; R270-A274 WeakPolarHBondContact O-CB 3.48Å; R270-P275 WeakPolarHBondContact O-CD 3.21Å
271	D	97.1	Very high	96	Very high	80 Å²	80	57.5 Å²	57.5	43%	0.428	30%	0.302	S	S	.	.	I	π-helix	trans	-92.9	-21.2	-166.9	-64.7	-14.3	0	0	0	112.9	L267	L267-D271 HydrophobicContact CD2-CB 4.48Å; L267-D271 VanDerWaalsContact CD2-OD2 3.27Å; L267-D271 WeakPolarHBondContact CD2-OD2 3.32Å; L267-D271 WeakPolarHBondContact CG-OD2 3.48Å; L267-D271 WeakPolarHBondContact O-CB 3.49Å; L267-D271 PolarHBondContact O-N 3Å
272	V	98.1	Very high	96.4	Very high	52 Å²	52	59.9 Å²	59.9	32%	0.315	31%	0.306	S	S	.	.	I	π-helix	trans	-110.5	-46	179.2	-176.2	0	0	0	0	112	V259 M268 K276	V259-V272 HydrophobicContact CG1-CB 3.93Å; V259-V272 HydrophobicContact CG1-CG1 4.02Å; V259-V272 HydrophobicContact CG1-CG2 4.43Å; M268-V272 WeakPolarHBondContact O-CA 3.33Å; M268-V272 VanDerWaalsContact O-CB 3.25Å; M268-V272 WeakPolarHBondContact O-CB 3.37Å; M268-V272 PolarHBondContact O-N 2.68Å; M268-V272 HydrophobicContact SD-CG2 4.39Å; V272-K276 WeakPolarHBondContact O-CG 3.31Å
273	C	98.5	Very high	96.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.288	C	S	.	.	I	π-helix	trans	-85.2	-39.3	-172	-57.3	0	0	0	0	113	L56 V255 V259 M268 L269 K276 L277	L56-C273 HydrophobicContact CD1-CB 4.04Å; L56-C273 HydrophobicContact CD2-CB 3.76Å; V255-C273 HydrophobicContact CG1-CB 4.12Å; V255-C273 WeakPolarHBondContact O-CB 3.36Å; V255-C273 PolarHBondContact O-SG 3.02Å; V259-C273 VanDerWaalsContact CG1-SG 3.59Å; V259-C273 VanDerWaalsContact CG2-SG 3.53Å; M268-C273 PolarHBondContact O-N 2.86Å; L269-C273 HydrophobicContact CD2-CB 4.33Å; L269-C273 CarbonylContact O-C 3.59Å; L269-C273 WeakPolarHBondContact O-CA 3.01Å; L269-C273 VanDerWaalsContact O-CB 3.27Å; L269-C273 WeakPolarHBondContact O-CB 3.46Å; L269-C273 PolarHBondContact O-N 2.78Å; C273-K276 WeakPolarHBondContact O-CB 3.45Å; C273-K276 PolarHBondContact O-N 3.13Å; C273-L277 PolarHBondContact O-N 2.96Å
274	A	98.5	Very high	97.1	Very high	2 Å²	2	52 Å²	52	2%	0.017	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-43.8	179.9	0	0	0	0	0	112.8	L56 Y59 L269 R270 K276 L277 Q278	L56-A274 HydrophobicContact CD2-CB 3.9Å; Y59-A274 HydrophobicContact CD2-CB 4.08Å; Y59-A274 HydrophobicContact CE2-CB 3.67Å; L269-A274 PolarHBondContact O-N 3.07Å; R270-A274 VanDerWaalsContact O-CB 3.28Å; R270-A274 WeakPolarHBondContact O-CB 3.48Å; A274-K276 VanDerWaalsContact C-N 3.32Å; A274-K276 PolarHBondContact O-N 2.91Å; A274-L277 PolarHBondContact O-N 3.12Å; A274-Q278 WeakPolarHBondContact O-CB 3.39Å; A274-Q278 PolarHBondContact O-N 3.48Å
275	P	98.5	Very high	97.4	Very high	66 Å²	66	48.7 Å²	48.7	43%	0.429	24%	0.241	S	C	.	.	H	α-helix	trans	-60.7	-38.5	175.3	-25.8	36.2	0	0	0	113.2	R270 Q279	R270-P275 WeakPolarHBondContact O-CD 3.21Å; P275-Q279 WeakPolarHBondContact O-CB 3.37Å; P275-Q279 PolarHBondContact O-N 3.34Å
276	K	98.5	Very high	97.9	Very high	44 Å²	44	50.2 Å²	50.2	19%	0.191	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-49	175.1	-68.4	173.3	179.8	-177.4	0	110.8	E231 S258 V272 C273 A274 Q279 L280	E231-K276 IonicContact OE1-NZ 2.76Å; E231-K276 PolarHBondContact OE1-NZ 2.84Å; E231-K276 IonicContact OE2-NZ 3.66Å; E231-K276 PolarHBondContact OE2-NZ 2.93Å; S258-K276 PolarHBondContact OG-NZ 3.37Å; V272-K276 WeakPolarHBondContact O-CG 3.31Å; C273-K276 WeakPolarHBondContact O-CB 3.45Å; C273-K276 PolarHBondContact O-N 3.13Å; A274-K276 VanDerWaalsContact C-N 3.32Å; A274-K276 PolarHBondContact O-N 2.91Å; K276-Q279 PolarHBondContact O-N 2.96Å; K276-L280 VanDerWaalsContact O-CG 3.3Å; K276-L280 WeakPolarHBondContact O-CG 3.19Å; K276-L280 PolarHBondContact O-N 3.25Å
277	L	98.8	Very high	98.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.3	-39.5	-178.8	-175.8	57.9	0	0	0	112.2	L19 L56 A60 F249 V255 C273 A274 L280 G281	L19-L277 HydrophobicContact CB-CD2 4.46Å; L19-L277 HydrophobicContact CD1-CD2 4.44Å; L19-L277 HydrophobicContact CD2-CD2 4.41Å; L56-L277 HydrophobicContact CB-CD2 3.91Å; L56-L277 WeakPolarHBondContact O-CD2 3.36Å; A60-L277 HydrophobicContact CB-CD2 4.28Å; F249-L277 HydrophobicContact CE2-CD1 3.81Å; F249-L277 HydrophobicContact CZ-CD1 3.81Å; V255-L277 HydrophobicContact CG1-CB 4.03Å; V255-L277 HydrophobicContact CG2-CD1 4.29Å; C273-L277 PolarHBondContact O-N 2.96Å; A274-L277 PolarHBondContact O-N 3.12Å; L277-L280 PolarHBondContact O-N 3.41Å; L277-G281 PolarHBondContact O-N 2.98Å
278	Q	98.7	Very high	98.4	Very high	93 Å²	93	42.3 Å²	42.3	44%	0.435	21%	0.208	S	C	.	.	H	α-helix	trans	-60.1	-49	174.6	-175.6	173.2	0.1	0	0	111	Y59 A274 L280 G281 D282	Y59-Q278 HydrophobicContact CD1-CB 3.97Å; Y59-Q278 HydrophobicContact CD1-CG 4.23Å; Y59-Q278 HydrophobicContact CE1-CB 4.46Å; A274-Q278 WeakPolarHBondContact O-CB 3.39Å; A274-Q278 PolarHBondContact O-N 3.48Å; Q278-L280 VanDerWaalsContact C-N 3.29Å; Q278-L280 PolarHBondContact O-N 3.28Å; Q278-G281 WeakPolarHBondContact O-CA 3.35Å; Q278-G281 PolarHBondContact O-N 3.35Å; Q278-D282 PolarHBondContact O-N 3.41Å
279	Q	98.7	Very high	98.4	Very high	105 Å²	105	43 Å²	43	49%	0.491	22%	0.221	S	C	.	.	H	α-helix	trans	-57.2	-42.8	176	-175.8	-173	17.7	0	0	111.9	P275 K276 G281 D282 I283	P275-Q279 WeakPolarHBondContact O-CB 3.37Å; P275-Q279 PolarHBondContact O-N 3.34Å; K276-Q279 PolarHBondContact O-N 2.96Å; Q279-G281 VanDerWaalsContact C-N 3.33Å; Q279-D282 PolarHBondContact O-N 3.01Å; Q279-I283 HydrophobicContact CG-CD1 4.29Å; Q279-I283 VanDerWaalsContact O-CG1 3.26Å; Q279-I283 WeakPolarHBondContact O-CG1 3.24Å; Q279-I283 PolarHBondContact O-N 3.36Å
280	L	98.9	Very high	98.4	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-64	-39.3	176.8	-68.5	169.1	0	0	0	111.6	F234 P235 V238 F249 V255 K276 L277 Q278 I283 V284	F234-L280 HydrophobicContact CD1-CD1 3.96Å; F234-L280 HydrophobicContact CD1-CD2 3.88Å; F234-L280 HydrophobicContact CE1-CD1 4.21Å; F234-L280 HydrophobicContact CE1-CD2 4.33Å; P235-L280 HydrophobicContact CB-CD2 4.27Å; P235-L280 HydrophobicContact CG-CD2 4.09Å; V238-L280 HydrophobicContact CG2-CD2 4.06Å; F249-L280 HydrophobicContact CD1-CB 4.31Å; F249-L280 HydrophobicContact CE1-CB 3.49Å; F249-L280 VanDerWaalsContact CE1-CB 3.49Å; F249-L280 HydrophobicContact CE2-CB 4.37Å; F249-L280 HydrophobicContact CE2-CD1 4.4Å; F249-L280 HydrophobicContact CZ-CB 3.51Å; F249-L280 HydrophobicContact CZ-CD1 4.32Å; V255-L280 HydrophobicContact CG2-CD1 4.06Å; K276-L280 VanDerWaalsContact O-CG 3.3Å; K276-L280 WeakPolarHBondContact O-CG 3.19Å; K276-L280 PolarHBondContact O-N 3.25Å; L277-L280 PolarHBondContact O-N 3.41Å; Q278-L280 VanDerWaalsContact C-N 3.29Å; Q278-L280 PolarHBondContact O-N 3.28Å; L280-I283 WeakPolarHBondContact O-CB 3.35Å; L280-I283 PolarHBondContact O-N 3.4Å; L280-V284 WeakPolarHBondContact O-CG2 3.33Å; L280-V284 PolarHBondContact O-N 3.39Å; L280-V284 VanDerWaalsContact O-N 3.1Å
281	G	98.8	Very high	98.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.1	-44.1	173	0	0	0	0	0	112.9	L277 Q278 Q279 I283 V284 D285	L277-G281 PolarHBondContact O-N 2.98Å; Q278-G281 WeakPolarHBondContact O-CA 3.35Å; Q278-G281 PolarHBondContact O-N 3.35Å; Q279-G281 VanDerWaalsContact C-N 3.33Å; G281-I283 VanDerWaalsContact C-N 3.33Å; G281-I283 PolarHBondContact O-N 2.94Å; G281-V284 WeakPolarHBondContact O-CB 3.18Å; G281-V284 PolarHBondContact O-N 2.91Å; G281-D285 PolarHBondContact O-N 3.29Å
282	D	98.8	Very high	97.3	Very high	86 Å²	86	55.7 Å²	55.7	46%	0.46	27%	0.267	S	S	.	.	H	α-helix	trans	-63.6	-39.1	177.3	-64	-21.8	0	0	0	111.6	Q278 Q279 V284 D285 E286	Q278-D282 PolarHBondContact O-N 3.41Å; Q279-D282 PolarHBondContact O-N 3.01Å; D282-V284 VanDerWaalsContact C-N 3.34Å; D282-V284 PolarHBondContact O-N 2.87Å; D282-D285 PolarHBondContact O-N 3.19Å; D282-E286 WeakPolarHBondContact O-CB 3.48Å; D282-E286 PolarHBondContact O-N 3.47Å
283	I	98.9	Very high	97.2	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-59.4	-45.8	173.4	-71.7	169.3	0	0	0	110.8	P235 V238 R239 Q279 L280 G281 E286 M287	P235-I283 HydrophobicContact CB-CD1 3.65Å; V238-I283 HydrophobicContact CB-CG2 4.35Å; V238-I283 HydrophobicContact CG1-CG2 3.88Å; R239-I283 HydrophobicContact CG-CG2 3.51Å; Q279-I283 HydrophobicContact CG-CD1 4.29Å; Q279-I283 VanDerWaalsContact O-CG1 3.26Å; Q279-I283 WeakPolarHBondContact O-CG1 3.24Å; Q279-I283 PolarHBondContact O-N 3.36Å; L280-I283 WeakPolarHBondContact O-CB 3.35Å; L280-I283 PolarHBondContact O-N 3.4Å; G281-I283 VanDerWaalsContact C-N 3.33Å; G281-I283 PolarHBondContact O-N 2.94Å; I283-E286 PolarHBondContact O-N 3.41Å; I283-M287 HydrophobicContact CG2-CG 4.31Å; I283-M287 WeakPolarHBondContact O-CB 3.42Å; I283-M287 VanDerWaalsContact O-CG 3.22Å; I283-M287 WeakPolarHBondContact O-CG 3.4Å; I283-M287 PolarHBondContact O-N 3.49Å
284	V	98.8	Very high	97.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-46.7	179.1	170.1	0	0	0	0	110.5	A17 V238 M242 F249 L280 G281 D282 E286 M287 M288	A17-V284 HydrophobicContact CB-CG2 4.48Å; V238-V284 HydrophobicContact CG1-CG2 4.12Å; M242-V284 HydrophobicContact CE-CB 4.43Å; M242-V284 HydrophobicContact CE-CG1 4.03Å; M242-V284 HydrophobicContact SD-CB 4.22Å; M242-V284 HydrophobicContact SD-CG1 4.36Å; M242-V284 HydrophobicContact SD-CG2 3.86Å; F249-V284 HydrophobicContact CD1-CG2 3.65Å; F249-V284 HydrophobicContact CE1-CG2 3.66Å; L280-V284 WeakPolarHBondContact O-CG2 3.33Å; L280-V284 PolarHBondContact O-N 3.39Å; L280-V284 VanDerWaalsContact O-N 3.1Å; G281-V284 WeakPolarHBondContact O-CB 3.18Å; G281-V284 PolarHBondContact O-N 2.91Å; D282-V284 VanDerWaalsContact C-N 3.34Å; D282-V284 PolarHBondContact O-N 2.87Å; V284-E286 PolarHBondContact O-N 2.97Å; V284-M287 PolarHBondContact O-N 3.3Å; V284-M288 HydrophobicContact CG1-CG 4.4Å; V284-M288 WeakPolarHBondContact O-CG 3.4Å; V284-M288 PolarHBondContact O-N 3.24Å
285	D	98.8	Very high	97.1	Very high	47 Å²	47	61.9 Å²	61.9	25%	0.251	29%	0.293	S	S	.	.	H	α-helix	trans	-62.5	-42.8	178.5	-70.7	-21.6	0	0	0	112.1	R11 S13 G281 D282 M287 M288 A289	R11-D285 WeakPolarHBondContact CD-OD1 3.47Å; R11-D285 IonicContact CZ-OD2 3.8Å; R11-D285 IonicContact NE-OD1 2.88Å; R11-D285 PolarHBondContact NE-OD1 3.1Å; R11-D285 IonicContact NE-OD2 3.49Å; R11-D285 PolarHBondContact NE-OD2 3.02Å; R11-D285 IonicContact NH2-OD2 3.84Å; R11-D285 PolarHBondContact NH2-OD2 3.01Å; S13-D285 WeakPolarHBondContact CB-OD1 3.32Å; S13-D285 PolarHBondContact OG-OD1 2.97Å; G281-D285 PolarHBondContact O-N 3.29Å; D282-D285 PolarHBondContact O-N 3.19Å; D285-M287 VanDerWaalsContact C-N 3.35Å; D285-M287 PolarHBondContact O-N 3.39Å; D285-M288 PolarHBondContact O-N 2.97Å; D285-A289 WeakPolarHBondContact O-CB 3.29Å; D285-A289 PolarHBondContact O-N 2.72Å
286	E	98.7	Very high	97	Very high	77 Å²	77	61.7 Å²	61.7	36%	0.36	29%	0.285	S	S	.	.	H	α-helix	trans	-59	-45	175	-171.2	-157.3	133.1	0	0	111.5	R239 D282 I283 V284 A289 K290	R239-E286 IonicContact CZ-OE1 3.66Å; R239-E286 IonicContact CZ-OE2 3.03Å; R239-E286 VanDerWaalsContact CZ-OE2 3.25Å; R239-E286 IonicContact NH1-OE1 3.39Å; R239-E286 PolarHBondContact NH1-OE1 2.91Å; R239-E286 IonicContact NH1-OE2 3.98Å; R239-E286 PolarHBondContact NH1-OE2 2.92Å; R239-E286 IonicContact NH2-OE2 2.92Å; R239-E286 PolarHBondContact NH2-OE2 3.47Å; D282-E286 WeakPolarHBondContact O-CB 3.48Å; D282-E286 PolarHBondContact O-N 3.47Å; I283-E286 PolarHBondContact O-N 3.41Å; V284-E286 PolarHBondContact O-N 2.97Å; E286-A289 PolarHBondContact O-N 3.27Å; E286-K290 PolarHBondContact O-N 3.12Å; E286-K290 WeakPolarHBondContact OE1-CE 3.08Å; E286-K290 IonicContact OE1-NZ 2.63Å; E286-K290 PolarHBondContact OE1-NZ 3.43Å
287	M	98.6	Very high	96.9	Very high	12 Å²	12	62.8 Å²	62.8	6%	0.059	29%	0.291	C	S	.	.	H	α-helix	trans	-71.9	-34.7	-178.7	-67.8	-52.9	-59.4	0	0	112.4	M242 T243 I283 V284 D285 K290	M242-M287 HydrophobicContact CB-CB 3.97Å; M242-M287 HydrophobicContact CB-CE 4.34Å; M242-M287 HydrophobicContact CB-CG 4.16Å; M242-M287 HydrophobicContact CE-CB 3.55Å; M242-M287 HydrophobicContact SD-CB 3.71Å; M242-M287 HydrophobicContact SD-CG 4.12Å; T243-M287 WeakPolarHBondContact OG1-CE 3.48Å; I283-M287 HydrophobicContact CG2-CG 4.31Å; I283-M287 WeakPolarHBondContact O-CB 3.42Å; I283-M287 VanDerWaalsContact O-CG 3.22Å; I283-M287 WeakPolarHBondContact O-CG 3.4Å; I283-M287 PolarHBondContact O-N 3.49Å; V284-M287 PolarHBondContact O-N 3.3Å; D285-M287 VanDerWaalsContact C-N 3.35Å; D285-M287 PolarHBondContact O-N 3.39Å; M287-K290 HydrophobicContact CE-CD 4.37Å; M287-K290 PolarHBondContact O-N 3.03Å; M287-K290 HydrophobicContact SD-CD 4.11Å
288	M	98.3	Very high	96.8	Very high	27 Å²	27	67 Å²	67	13%	0.133	31%	0.31	C	S	.	.	H	α-helix	trans	-66.9	-37.8	173.1	-72.1	-56.3	-66.5	0	0	111.9	M242 V284 D285 K290 R291	M242-M288 HydrophobicContact CE-CG 3.96Å; M242-M288 HydrophobicContact CE-SD 3.93Å; V284-M288 HydrophobicContact CG1-CG 4.4Å; V284-M288 WeakPolarHBondContact O-CG 3.4Å; V284-M288 PolarHBondContact O-N 3.24Å; D285-M288 PolarHBondContact O-N 2.97Å; M288-K290 PolarHBondContact O-N 3.27Å; M288-R291 PolarHBondContact O-N 2.91Å; M288-R291 VanDerWaalsContact O-N 3.15Å
289	A	97.8	Very high	96.7	Very high	60 Å²	60	65.1 Å²	65.1	50%	0.496	30%	0.301	S	S	.	.	H	α-helix	trans	-61.5	-32.9	176.2	0	0	0	0	0	112.6	D285 E286 R291 R292	D285-A289 WeakPolarHBondContact O-CB 3.29Å; D285-A289 PolarHBondContact O-N 2.72Å; E286-A289 PolarHBondContact O-N 3.27Å; A289-R291 PolarHBondContact O-N 3.3Å; A289-R292 PolarHBondContact O-N 3.06Å
290	K	97.2	Very high	96.5	Very high	130 Å²	130	62.1 Å²	62.1	57%	0.565	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-10.6	177	-68.3	174.8	-171.8	168.7	0	114.7	E286 M287 M288	E286-K290 PolarHBondContact O-N 3.12Å; E286-K290 WeakPolarHBondContact OE1-CE 3.08Å; E286-K290 IonicContact OE1-NZ 2.63Å; E286-K290 PolarHBondContact OE1-NZ 3.43Å; M287-K290 HydrophobicContact CE-CD 4.37Å; M287-K290 PolarHBondContact O-N 3.03Å; M287-K290 HydrophobicContact SD-CD 4.11Å; M288-K290 PolarHBondContact O-N 3.27Å
291	R	94.2	Very high	96.3	Very high	112 Å²	112	66.9 Å²	66.9	42%	0.423	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-10.2	177.2	-66	-178.8	172.5	-177.7	-5.2	113.6	M242 G245 A246 S247 M288 A289	M242-R291 PolarHBondContact O-NH2 3.05Å; G245-R291 PolarHBondContact O-NH2 3.24Å; A246-R291 PolarHBondContact O-NH2 3.39Å; S247-R291 PolarHBondContact OG-NH1 2.99Å; M288-R291 PolarHBondContact O-N 2.91Å; M288-R291 VanDerWaalsContact O-N 3.15Å; A289-R291 PolarHBondContact O-N 3.3Å
292	R	76.6	Confident	96.1	Very high	248 Å²	248	73 Å²	73	94%	0.936	34%	0.337	S	S	*	.			trans	-89	0	177.7	-61.7	-177.7	-177.9	-174.6	0.4	110	A289	A289-R292 PolarHBondContact O-N 3.06Å

Retrieved 292 of 292 residues in 224.3 ms (Link to these results)

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