A0A093HUZ5_STRCA Loading...

Actin, aortic smooth muscle

AlphaFold DB (P62738), UniProt , Accession A0A093HUZ5, Species STRCA (Struthio camelus australis), Gene n/a, Length 377 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	34.8	Very low	68.2	Low	235 Å²	235	105.6 Å²	105.6	100%	1.158	55%	0.554	S	S	*	*				0	102.7	0	-71.5	170.8	81.3	0	0	104.2	E3	M1-E3 PolarHBondContact O-N 2.91Å; M1-E3 VanDerWaalsContact O-N 3.13Å
2	C	34	Very low	70.8	Confident	125 Å²	125	96.8 Å²	96.8	85%	0.845	51%	0.508	S	S	*	.			trans	-64.1	112.1	164.7	-57.4	0	0	0	0	103.6	E4	C2-E4 VanDerWaalsContact C-N 3.26Å; C2-E4 PolarHBondContact O-N 3.37Å
3	E	43.7	Very low	72.9	Confident	179 Å²	179	89.6 Å²	89.6	84%	0.836	47%	0.47	S	S	*	.			trans	-54.6	108.4	156.7	-70.1	174.2	168.5	0	0	103.1	M1 E5	M1-E3 PolarHBondContact O-N 2.91Å; M1-E3 VanDerWaalsContact O-N 3.13Å; E3-E5 VanDerWaalsContact C-N 3.31Å; E3-E5 PolarHBondContact O-N 2.97Å
4	E	50.1	Low	74.6	Confident	173 Å²	173	83.8 Å²	83.8	81%	0.808	44%	0.44	S	S	*	.			trans	-51.3	111.2	162.8	-77	175.9	159.8	0	0	103.5	C2 D6	C2-E4 VanDerWaalsContact C-N 3.26Å; C2-E4 PolarHBondContact O-N 3.37Å; E4-D6 VanDerWaalsContact C-N 3.32Å; E4-D6 PolarHBondContact O-N 2.88Å
5	E	51.4	Low	76	Confident	185 Å²	185	79.1 Å²	79.1	86%	0.864	42%	0.419	S	S	*	.			trans	-54.4	107.3	173.7	-81.3	-179	150.5	0	0	105.1	E3 S7	E3-E5 VanDerWaalsContact C-N 3.31Å; E3-E5 PolarHBondContact O-N 2.97Å; E5-S7 VanDerWaalsContact C-N 3.33Å; E5-S7 PolarHBondContact O-N 3.25Å
6	D	64.3	Low	77.3	Confident	133 Å²	133	74.6 Å²	74.6	71%	0.711	40%	0.397	S	S	*	.			trans	-57.1	101.4	-177.5	-94.4	-27.8	0	0	0	107.1	E4 T8	E4-D6 VanDerWaalsContact C-N 3.32Å; E4-D6 PolarHBondContact O-N 2.88Å; D6-T8 PolarHBondContact O-N 3.33Å
7	S	83.1	Confident	78.4	Confident	55 Å²	55	71.1 Å²	71.1	39%	0.385	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-60.6	122.8	179.7	45.7	0	0	0	0	108.4	E5 A9 E102 P104	E5-S7 VanDerWaalsContact C-N 3.33Å; E5-S7 PolarHBondContact O-N 3.25Å; S7-A9 PolarHBondContact O-N 3.43Å; S7-E102 WeakPolarHBondContact CB-O 3.46Å; S7-E102 PolarHBondContact OG-O 2.97Å; S7-P104 VanDerWaalsContact OG-CD 3.25Å; S7-P104 WeakPolarHBondContact OG-CD 3.42Å
8	T	94.5	Very high	79.4	Confident	69 Å²	69	71.4 Å²	71.4	42%	0.423	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-62.1	123.9	-177.6	-52.1	0	0	0	0	109.6	D6 F23 A24 H103	D6-T8 PolarHBondContact O-N 3.33Å; T8-F23 HydrophobicContact CG2-CB 3.94Å; T8-F23 HydrophobicContact CG2-CD1 4.09Å; T8-A24 WeakPolarHBondContact CG2-O 3.11Å; T8-H103 PolarHBondContact O-ND1 3.43Å
9	A	97.7	Very high	80.4	Confident	8 Å²	8	67.7 Å²	67.7	7%	0.066	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-64.2	148.4	-179.1	0	0	0	0	0	112.2	S7 F23 A24 P104 A349 W358	S7-A9 PolarHBondContact O-N 3.43Å; A9-F23 WeakPolarHBondContact O-CA 3.46Å; A9-A24 HydrophobicContact CB-CB 4.07Å; A9-A24 WeakPolarHBondContact O-CB 3.28Å; A9-A24 PolarHBondContact O-N 2.78Å; A9-P104 CarbonylContact C-O 3.56Å; A9-P104 WeakPolarHBondContact CA-O 3.11Å; A9-P104 HydrophobicContact CB-CB 4.07Å; A9-A349 HydrophobicContact CB-CB 4.13Å; A9-W358 HydrophobicContact CB-CH2 3.93Å; A9-W358 HydrophobicContact CB-CZ2 3.68Å
10	L	98.4	Very high	81.3	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	146.7	170.3	-57.9	-179.3	0	0	0	110.4	G22 F23 F92 L96 V98 H103 P104 T105 L106	L10-G22 WeakPolarHBondContact CA-O 3.42Å; L10-F23 HydrophobicContact CD2-CD1 3.67Å; L10-F23 HydrophobicContact CD2-CD2 4.43Å; L10-F23 HydrophobicContact CD2-CE1 3.66Å; L10-F23 HydrophobicContact CD2-CE2 4.42Å; L10-F23 HydrophobicContact CD2-CG 4.1Å; L10-F23 HydrophobicContact CD2-CZ 4.08Å; L10-F92 HydrophobicContact CD1-CD1 3.74Å; L10-F92 HydrophobicContact CD1-CE1 3.85Å; L10-L96 HydrophobicContact CD1-CD1 4.27Å; L10-L96 HydrophobicContact CD2-CD1 3.99Å; L10-V98 HydrophobicContact CD1-CG2 3.83Å; L10-V98 HydrophobicContact CD2-CG2 4.46Å; L10-H103 HydrophobicContact CD1-CB 3.93Å; L10-H103 HydrophobicContact CD2-CB 4.47Å; L10-H103 HydrophobicContact CG-CB 3.72Å; L10-P104 PolarHBondContact N-O 3.22Å; L10-T105 HydrophobicContact CB-CG2 4.46Å; L10-L106 PolarHBondContact O-N 3.46Å
11	V	98.7	Very high	82.1	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	119.9	174.1	179.9	0	0	0	0	108.8	A21 G22 A24 L106 W342 A349	V11-A21 VanDerWaalsContact O-CA 3.3Å; V11-A21 WeakPolarHBondContact O-CA 3.47Å; V11-G22 PolarHBondContact N-O 3.26Å; V11-G22 PolarHBondContact O-N 3.06Å; V11-A24 HydrophobicContact CG2-CB 4.33Å; V11-L106 WeakPolarHBondContact CA-O 3.5Å; V11-L106 HydrophobicContact CG1-CD2 4.15Å; V11-L106 HydrophobicContact CG2-CB 4.42Å; V11-W342 HydrophobicContact CB-CZ2 4.4Å; V11-W342 HydrophobicContact CG1-CG 4.24Å; V11-W342 PolarHBondContact O-NE1 2.59Å; V11-A349 HydrophobicContact CG2-CB 4.28Å
12	C	98.5	Very high	85.2	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	100.3	179.9	-69.4	0	0	0	0	110.5	N14 K20 L106 L107 T108	C12-N14 PolarHBondContact O-N 3.33Å; C12-K20 CarbonylContact C-O 3.53Å; C12-K20 WeakPolarHBondContact CA-O 3.5Å; C12-L106 PolarHBondContact N-O 2.96Å; C12-L107 HydrophobicContact CB-CD2 3.76Å; C12-T108 PolarHBondContact O-N 3.28Å; C12-T108 VanDerWaalsContact O-N 3.09Å
13	D	98.5	Very high	88.2	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	105.5	172.4	171.9	26	0	0	0	110.9	G15 C19 K20 T108 Q139 V341 W342	D13-G15 PolarHBondContact O-N 3.44Å; D13-C19 WeakPolarHBondContact O-CA 3.48Å; D13-K20 HydrophobicContact CB-CB 4.15Å; D13-K20 PolarHBondContact N-O 2.97Å; D13-K20 PolarHBondContact O-N 2.88Å; D13-K20 WeakPolarHBondContact OD2-CD 3.46Å; D13-K20 IonicContact OD2-NZ 3.47Å; D13-K20 PolarHBondContact OD2-NZ 3.05Å; D13-T108 VanDerWaalsContact CA-OG1 3.28Å; D13-T108 WeakPolarHBondContact CA-OG1 3.13Å; D13-T108 HydrophobicContact CB-CG2 4.06Å; D13-T108 PolarHBondContact OD1-OG1 2.91Å; D13-T108 VanDerWaalsContact OD1-OG1 3.1Å; D13-Q139 PolarHBondContact OD1-NE2 3.17Å; D13-V341 HydrophobicContact CB-CG1 4.07Å; D13-V341 VanDerWaalsContact CG-CG1 3.47Å; D13-V341 WeakPolarHBondContact OD1-CG1 3.42Å; D13-W342 HydrophobicContact CB-CB 4.16Å
14	N	96.2	Very high	90.8	Very high	8 Å²	8	38.1 Å²	38.1	4%	0.043	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	80.5	-175.1	-56.8	-53.2	0	0	0	111.2	C12 I73 M84 W88 L107 T108 Q139	C12-N14 PolarHBondContact O-N 3.33Å; N14-I73 HydrophobicContact CB-CD1 4.13Å; N14-M84 HydrophobicContact CB-CE 4.19Å; N14-M84 VanDerWaalsContact OD1-CE 3.28Å; N14-M84 WeakPolarHBondContact OD1-CE 3.09Å; N14-W88 PolarHBondContact OD1-NE1 3.3Å; N14-L107 WeakPolarHBondContact ND2-CD2 3.23Å; N14-T108 PolarHBondContact N-OG1 3.35Å; N14-T108 PolarHBondContact ND2-O 3.34Å; N14-T108 VanDerWaalsContact ND2-O 3.15Å; N14-Q139 PolarHBondContact O-NE2 3.02Å
15	G	96.4	Very high	92.9	Very high	13 Å²	13	32.3 Å²	32.3	13%	0.134	19%	0.193	C	C	.	.			trans	-88.1	149.9	176.4	0	0	0	0	0	113.6	D13 G17 L18 S35	D13-G15 PolarHBondContact O-N 3.44Å; G15-G17 VanDerWaalsContact C-N 3.26Å; G15-G17 PolarHBondContact O-N 2.95Å; G15-L18 WeakPolarHBondContact CA-O 3.32Å; G15-L18 PolarHBondContact N-O 3.08Å; G15-S35 VanDerWaalsContact O-CB 3.29Å; G15-S35 WeakPolarHBondContact O-CB 3.47Å; G15-S35 PolarHBondContact O-OG 3.13Å
16	S	96.1	Very high	95.1	Very high	8 Å²	8	25.8 Å²	25.8	6%	0.056	16%	0.164	C	C	.	.	S	Bend	trans	-63.5	-26.5	177.5	-56.5	0	0	0	0	115.3	I73 G76 R185	S16-I73 WeakPolarHBondContact OG-CG2 3.49Å; S16-G76 WeakPolarHBondContact OG-CA 3.42Å; S16-G76 PolarHBondContact OG-N 3.35Å; S16-R185 PolarHBondContact O-NH2 3.46Å
17	G	96	Very high	96.5	Very high	15 Å²	15	26.7 Å²	26.7	16%	0.155	17%	0.169	C	C	.	.	S	Bend	trans	-102.9	-39.7	177.4	0	0	0	0	0	113	G15 P34 S35	G15-G17 VanDerWaalsContact C-N 3.26Å; G15-G17 PolarHBondContact O-N 2.95Å; G17-P34 WeakPolarHBondContact O-CA 3.41Å; G17-S35 PolarHBondContact O-N 3.44Å
18	L	97.2	Very high	97.1	Very high	77 Å²	77	26.5 Å²	26.5	40%	0.403	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	134.8	-175.1	-63	171.9	0	0	0	110.4	G15 V32 F33 P34	G15-L18 WeakPolarHBondContact CA-O 3.32Å; G15-L18 PolarHBondContact N-O 3.08Å; L18-V32 HydrophobicContact CB-CG1 4.4Å; L18-V32 HydrophobicContact CD1-CG1 4.09Å; L18-V32 HydrophobicContact CD2-CG1 4.48Å; L18-F33 CarbonylContact C-O 3.59Å; L18-F33 WeakPolarHBondContact CA-O 3.39Å; L18-P34 HydrophobicContact CD2-CG 4.47Å
19	C	98	Very high	97.3	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.007	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	141.6	164.2	-173.5	0	0	0	0	108.3	D13 V32 F33 S35 I87	D13-C19 WeakPolarHBondContact O-CA 3.48Å; C19-V32 WeakPolarHBondContact O-CA 3.32Å; C19-F33 HydrophobicContact CB-CD1 4.48Å; C19-F33 HydrophobicContact CB-CD2 4.33Å; C19-F33 HydrophobicContact CB-CE1 3.93Å; C19-F33 HydrophobicContact CB-CE2 3.76Å; C19-F33 HydrophobicContact CB-CZ 3.54Å; C19-F33 PolarHBondContact N-O 3.38Å; C19-F33 PolarHBondContact O-N 3.28Å; C19-F33 VanDerWaalsContact O-N 3.07Å; C19-S35 PolarHBondContact N-OG 3.11Å; C19-I87 HydrophobicContact CB-CG2 4.23Å
20	K	98.6	Very high	97.3	Very high	21 Å²	21	30.9 Å²	30.9	9%	0.091	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	128.1	173.7	-42.3	177	-168.1	67.5	0	109.2	C12 D13 P29 A31 V32 K338 Y339 W342	C12-K20 CarbonylContact C-O 3.53Å; C12-K20 WeakPolarHBondContact CA-O 3.5Å; D13-K20 HydrophobicContact CB-CB 4.15Å; D13-K20 PolarHBondContact N-O 2.97Å; D13-K20 PolarHBondContact O-N 2.88Å; D13-K20 WeakPolarHBondContact OD2-CD 3.46Å; D13-K20 IonicContact OD2-NZ 3.47Å; D13-K20 PolarHBondContact OD2-NZ 3.05Å; K20-P29 HydrophobicContact CB-CB 3.95Å; K20-P29 HydrophobicContact CB-CG 4.26Å; K20-A31 CarbonylContact C-O 3.53Å; K20-A31 VanDerWaalsContact CA-O 3.28Å; K20-A31 WeakPolarHBondContact CA-O 3.39Å; K20-V32 HydrophobicContact CB-CG2 4.31Å; K20-V32 HydrophobicContact CG-CG1 4.26Å; K20-V32 HydrophobicContact CG-CG2 4.13Å; K20-K338 WeakPolarHBondContact CE-O 3.21Å; K20-Y339 HydrophobicContact CD-CD1 3.76Å; K20-Y339 HydrophobicContact CD-CE1 4.31Å; K20-W342 HydrophobicContact CB-CB 4.42Å; K20-W342 HydrophobicContact CB-CG 4.32Å; K20-W342 HydrophobicContact CD-CB 4.44Å
21	A	98.7	Very high	97.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	147	-176	0	0	0	0	0	110.7	V11 R30 A31 L96	V11-A21 VanDerWaalsContact O-CA 3.3Å; V11-A21 WeakPolarHBondContact O-CA 3.47Å; A21-R30 PolarHBondContact O-N 2.76Å; A21-A31 PolarHBondContact N-O 3.35Å; A21-A31 PolarHBondContact O-N 2.79Å; A21-L96 HydrophobicContact CB-CD1 3.95Å; A21-L96 HydrophobicContact CB-CD2 4.38Å; A21-L96 HydrophobicContact CB-CG 4.2Å
22	G	98.5	Very high	97.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.3	-173.6	178.7	0	0	0	0	0	111.8	L10 V11	L10-G22 WeakPolarHBondContact CA-O 3.42Å; V11-G22 PolarHBondContact N-O 3.26Å; V11-G22 PolarHBondContact O-N 3.06Å
23	F	98.1	Very high	97.2	Very high	21 Å²	21	33.4 Å²	33.4	9%	0.092	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	142.9	-178.5	-64.7	-102.2	0	0	0	110.1	T8 A9 L10 D26 R30 L96 V98 H103 W342	T8-F23 HydrophobicContact CG2-CB 3.94Å; T8-F23 HydrophobicContact CG2-CD1 4.09Å; A9-F23 WeakPolarHBondContact O-CA 3.46Å; L10-F23 HydrophobicContact CD2-CD1 3.67Å; L10-F23 HydrophobicContact CD2-CD2 4.43Å; L10-F23 HydrophobicContact CD2-CE1 3.66Å; L10-F23 HydrophobicContact CD2-CE2 4.42Å; L10-F23 HydrophobicContact CD2-CG 4.1Å; L10-F23 HydrophobicContact CD2-CZ 4.08Å; F23-D26 WeakPolarHBondContact O-CB 3.34Å; F23-D26 PolarHBondContact O-N 3.03Å; F23-R30 HydrophobicContact CD2-CG 4.3Å; F23-R30 VanDerWaalsContact CD2-NH1 3.35Å; F23-R30 VanDerWaalsContact CE2-CZ 3.43Å; F23-L96 HydrophobicContact CE2-CD2 4.17Å; F23-V98 HydrophobicContact CE1-CG1 4.12Å; F23-V98 HydrophobicContact CZ-CG1 3.57Å; F23-H103 AromaticContact CE1-CE1 3.94Å; F23-W342 WeakPolarHBondContact O-CH2 3.22Å
24	A	97.2	Very high	97.2	Very high	11 Å²	11	34.3 Å²	34.3	9%	0.091	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	138.2	171.2	0	0	0	0	0	110.4	T8 A9 V11 A349	T8-A24 WeakPolarHBondContact CG2-O 3.11Å; A9-A24 HydrophobicContact CB-CB 4.07Å; A9-A24 WeakPolarHBondContact O-CB 3.28Å; A9-A24 PolarHBondContact O-N 2.78Å; V11-A24 HydrophobicContact CG2-CB 4.33Å; A24-A349 HydrophobicContact CB-CB 3.66Å
25	G	95	Very high	97.3	Very high	50 Å²	50	33.9 Å²	33.9	52%	0.515	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	-15.2	-173.8	0	0	0	0	0	114.8	S346	G25-S346 PolarHBondContact N-O 3.15Å; G25-S346 PolarHBondContact N-OG 2.73Å
26	D	96.6	Very high	97.3	Very high	48 Å²	48	33.3 Å²	33.3	26%	0.257	19%	0.194	S	C	.	.			trans	-74	146.7	170.6	-70.7	-14.2	0	0	0	110.1	F23 A28 R30 W342 S346	F23-D26 WeakPolarHBondContact O-CB 3.34Å; F23-D26 PolarHBondContact O-N 3.03Å; D26-A28 VanDerWaalsContact C-N 3.3Å; D26-A28 PolarHBondContact O-N 3.33Å; D26-R30 IonicContact OD1-NH2 2.7Å; D26-R30 PolarHBondContact OD1-NH2 2.93Å; D26-R30 IonicContact OD2-CZ 3.49Å; D26-R30 IonicContact OD2-NE 3.77Å; D26-R30 PolarHBondContact OD2-NE 3.16Å; D26-R30 IonicContact OD2-NH2 2.73Å; D26-R30 PolarHBondContact OD2-NH2 2.87Å; D26-R30 VanDerWaalsContact OD2-NH2 3.08Å; D26-W342 HydrophobicContact CB-CH2 3.91Å; D26-W342 WeakPolarHBondContact O-CH2 3.46Å; D26-W342 WeakPolarHBondContact O-CZ3 3.37Å; D26-S346 PolarHBondContact N-OG 3.49Å; D26-S346 PolarHBondContact O-OG 3.24Å
27	D	94.2	Very high	97.4	Very high	153 Å²	153	33 Å²	33	82%	0.818	19%	0.191	S	C	*	.	S	Bend	trans	-74.6	-17.1	-179.1	-67.8	-40.5	0	0	0	113.8
28	A	96.3	Very high	97.5	Very high	51 Å²	51	32.2 Å²	32.2	42%	0.421	18%	0.184	S	C	.	.	S	Bend	trans	-151.3	153.9	-177.7	0	0	0	0	0	110.9	D26 R30 W342	D26-A28 VanDerWaalsContact C-N 3.3Å; D26-A28 PolarHBondContact O-N 3.33Å; A28-R30 PolarHBondContact O-N 2.98Å; A28-W342 WeakPolarHBondContact O-CH2 3.32Å; A28-W342 WeakPolarHBondContact O-CZ3 3.47Å
29	P	98	Very high	97.4	Very high	18 Å²	18	32.5 Å²	32.5	12%	0.117	18%	0.179	C	C	.	.			trans	-60.6	137.7	175.7	25.4	-33.9	0	0	0	110.4	K20 A31 V32 Y339 W342	K20-P29 HydrophobicContact CB-CB 3.95Å; K20-P29 HydrophobicContact CB-CG 4.26Å; P29-A31 VanDerWaalsContact C-N 3.27Å; P29-A31 PolarHBondContact O-N 2.88Å; P29-V32 HydrophobicContact CB-CG2 4.07Å; P29-V32 HydrophobicContact CG-CG2 3.58Å; P29-Y339 HydrophobicContact CG-CD1 4.12Å; P29-Y339 HydrophobicContact CG-CE1 4.41Å; P29-Y339 HydrophobicContact CG-CG 4.37Å; P29-W342 HydrophobicContact CB-CD2 3.69Å; P29-W342 HydrophobicContact CB-CE3 4.17Å; P29-W342 HydrophobicContact CB-CG 3.92Å; P29-W342 HydrophobicContact CB-CZ2 4.48Å; P29-W342 VanDerWaalsContact CD-CE3 3.5Å; P29-W342 HydrophobicContact CG-CD2 4.26Å; P29-W342 HydrophobicContact CG-CE3 4.39Å; P29-W342 HydrophobicContact CG-CG 4.42Å; P29-W342 VanDerWaalsContact N-CE3 3.34Å
30	R	97.8	Very high	97.1	Very high	151 Å²	151	34.5 Å²	34.5	57%	0.57	19%	0.192	S	C	*	.	S	Bend	trans	-70.4	-27.5	174.7	-66.8	-160.2	-176.7	173	5.6	112.4	A21 F23 D26 A28 L96	A21-R30 PolarHBondContact O-N 2.76Å; F23-R30 HydrophobicContact CD2-CG 4.3Å; F23-R30 VanDerWaalsContact CD2-NH1 3.35Å; F23-R30 VanDerWaalsContact CE2-CZ 3.43Å; D26-R30 IonicContact OD1-NH2 2.7Å; D26-R30 PolarHBondContact OD1-NH2 2.93Å; D26-R30 IonicContact OD2-CZ 3.49Å; D26-R30 IonicContact OD2-NE 3.77Å; D26-R30 PolarHBondContact OD2-NE 3.16Å; D26-R30 IonicContact OD2-NH2 2.73Å; D26-R30 PolarHBondContact OD2-NH2 2.87Å; D26-R30 VanDerWaalsContact OD2-NH2 3.08Å; A28-R30 PolarHBondContact O-N 2.98Å; R30-L96 HydrophobicContact CB-CD2 3.78Å
31	A	98.3	Very high	96.6	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.033	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	137.4	-179.3	0	0	0	0	0	111.2	K20 A21 P29 F33 E95	K20-A31 CarbonylContact C-O 3.53Å; K20-A31 VanDerWaalsContact CA-O 3.28Å; K20-A31 WeakPolarHBondContact CA-O 3.39Å; A21-A31 PolarHBondContact N-O 3.35Å; A21-A31 PolarHBondContact O-N 2.79Å; P29-A31 VanDerWaalsContact C-N 3.27Å; P29-A31 PolarHBondContact O-N 2.88Å; A31-F33 HydrophobicContact CB-CD1 4.4Å; A31-E95 HydrophobicContact CB-CB 3.58Å; A31-E95 HydrophobicContact CB-CG 4.06Å
32	V	98.2	Very high	95.9	Very high	49 Å²	49	45.6 Å²	45.6	30%	0.297	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	113.2	172.9	179.9	0	0	0	0	107.2	L18 C19 K20 P29 Y339	L18-V32 HydrophobicContact CB-CG1 4.4Å; L18-V32 HydrophobicContact CD1-CG1 4.09Å; L18-V32 HydrophobicContact CD2-CG1 4.48Å; C19-V32 WeakPolarHBondContact O-CA 3.32Å; K20-V32 HydrophobicContact CB-CG2 4.31Å; K20-V32 HydrophobicContact CG-CG1 4.26Å; K20-V32 HydrophobicContact CG-CG2 4.13Å; P29-V32 HydrophobicContact CB-CG2 4.07Å; P29-V32 HydrophobicContact CG-CG2 3.58Å; V32-Y339 HydrophobicContact CG2-CE1 3.99Å
33	F	98.2	Very high	94.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	156.5	-174.7	63.8	-90.9	0	0	0	111.7	L18 C19 A31 S35 V56 I87 H90 S91 E95	L18-F33 CarbonylContact C-O 3.59Å; L18-F33 WeakPolarHBondContact CA-O 3.39Å; C19-F33 HydrophobicContact CB-CD1 4.48Å; C19-F33 HydrophobicContact CB-CD2 4.33Å; C19-F33 HydrophobicContact CB-CE1 3.93Å; C19-F33 HydrophobicContact CB-CE2 3.76Å; C19-F33 HydrophobicContact CB-CZ 3.54Å; C19-F33 PolarHBondContact N-O 3.38Å; C19-F33 PolarHBondContact O-N 3.28Å; C19-F33 VanDerWaalsContact O-N 3.07Å; A31-F33 HydrophobicContact CB-CD1 4.4Å; F33-S35 PolarHBondContact O-N 2.9Å; F33-V56 HydrophobicContact CE2-CG1 4.21Å; F33-I87 HydrophobicContact CE2-CG2 4.05Å; F33-I87 HydrophobicContact CZ-CG2 4.11Å; F33-H90 AromaticContact CD2-CD2 3.9Å; F33-H90 AromaticContact CE2-CD2 3.65Å; F33-H90 AromaticContact CZ-CD2 3.82Å; F33-S91 VanDerWaalsContact CZ-OG 3.28Å; F33-S91 WeakPolarHBondContact CZ-OG 3.47Å; F33-E95 HydrophobicContact CD1-CG 3.83Å; F33-E95 HydrophobicContact CE1-CG 3.89Å
34	P	97.8	Very high	93.3	Very high	21 Å²	21	56.3 Å²	56.3	14%	0.136	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	132.1	178.1	-28	37	0	0	0	114	G17 L18 I36 G57 D58	G17-P34 WeakPolarHBondContact O-CA 3.41Å; L18-P34 HydrophobicContact CD2-CG 4.47Å; P34-I36 HydrophobicContact CB-CD1 3.85Å; P34-I36 HydrophobicContact CB-CG1 3.87Å; P34-I36 HydrophobicContact CB-CG2 4.42Å; P34-I36 PolarHBondContact O-N 3.44Å; P34-G57 WeakPolarHBondContact O-CA 3.47Å; P34-D58 WeakPolarHBondContact CD-OD1 3.41Å
35	S	97.7	Very high	91.8	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.313	C	S	.	.	S	Bend	trans	-76.9	62.8	176.8	-62.7	0	0	0	0	111.8	G15 G17 C19 F33 P72	G15-S35 VanDerWaalsContact O-CB 3.29Å; G15-S35 WeakPolarHBondContact O-CB 3.47Å; G15-S35 PolarHBondContact O-OG 3.13Å; G17-S35 PolarHBondContact O-N 3.44Å; C19-S35 PolarHBondContact N-OG 3.11Å; F33-S35 PolarHBondContact O-N 2.9Å; S35-P72 WeakPolarHBondContact O-CD 3.43Å
36	I	97.5	Very high	90.4	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	29%	0.29	C	S	.	.			trans	-133.9	148.3	-174	65.4	-177.9	0	0	0	112.3	P34 V56 G57 A60 Q61 L69 K70 Y71	P34-I36 HydrophobicContact CB-CD1 3.85Å; P34-I36 HydrophobicContact CB-CG1 3.87Å; P34-I36 HydrophobicContact CB-CG2 4.42Å; P34-I36 PolarHBondContact O-N 3.44Å; I36-V56 WeakPolarHBondContact O-CA 3.45Å; I36-G57 PolarHBondContact O-N 2.88Å; I36-G57 VanDerWaalsContact O-N 3.16Å; I36-A60 HydrophobicContact CD1-CB 4.03Å; I36-A60 HydrophobicContact CG1-CB 4Å; I36-Q61 HydrophobicContact CD1-CB 3.99Å; I36-Q61 VanDerWaalsContact CD1-OE1 3.27Å; I36-L69 HydrophobicContact CD1-CD1 4.21Å; I36-K70 WeakPolarHBondContact CA-O 3.19Å; I36-Y71 HydrophobicContact CG2-CD1 3.44Å; I36-Y71 VanDerWaalsContact CG2-CD1 3.44Å; I36-Y71 HydrophobicContact CG2-CE1 3.19Å; I36-Y71 HydrophobicContact CG2-CE2 4.37Å; I36-Y71 HydrophobicContact CG2-CG 4.14Å
37	V	98.3	Very high	88.8	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	125.5	169.6	-176.2	0	0	0	0	109	Y55 V56 K70 D83 K86 I87	V37-Y55 CarbonylContact C-O 3.58Å; V37-Y55 WeakPolarHBondContact CA-O 3.49Å; V37-V56 HydrophobicContact CG2-CG2 4.39Å; V37-K70 PolarHBondContact N-O 3.35Å; V37-K70 PolarHBondContact O-N 3.21Å; V37-D83 HydrophobicContact CB-CB 4.25Å; V37-D83 HydrophobicContact CG2-CB 3.78Å; V37-D83 WeakPolarHBondContact CG2-O 3.44Å; V37-K86 HydrophobicContact CG1-CD 4.02Å; V37-K86 HydrophobicContact CG2-CB 4.36Å; V37-I87 HydrophobicContact CG2-CD1 4.48Å; V37-I87 HydrophobicContact CG2-CG1 4.09Å
38	G	96.6	Very high	87.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	136.1	177.9	0	0	0	0	0	112.3	S54 Y55 T68	G38-S54 CarbonylContact O-C 3.48Å; G38-S54 VanDerWaalsContact O-CA 3.28Å; G38-S54 WeakPolarHBondContact O-CA 3.45Å; G38-Y55 PolarHBondContact N-O 2.75Å; G38-Y55 PolarHBondContact O-N 3.29Å; G38-T68 WeakPolarHBondContact CA-O 3.46Å
39	R	95	Very high	85.9	Confident	82 Å²	82	59.8 Å²	59.8	31%	0.309	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	138.2	174.2	-66.8	179.2	173.7	80.5	-6.5	110.8	R41 L67 T68 D83	R39-R41 PolarHBondContact O-N 3.24Å; R39-L67 CarbonylContact O-C 3.54Å; R39-L67 WeakPolarHBondContact O-CA 3.45Å; R39-T68 PolarHBondContact N-O 3.42Å; R39-T68 PolarHBondContact O-N 3.09Å; R39-D83 IonicContact CZ-OD1 3.5Å; R39-D83 IonicContact NH1-OD1 3.5Å; R39-D83 PolarHBondContact NH1-OD1 3.18Å; R39-D83 IonicContact NH1-OD2 3.86Å; R39-D83 PolarHBondContact NH1-OD2 2.87Å; R39-D83 VanDerWaalsContact NH1-OD2 3.08Å; R39-D83 IonicContact NH2-OD1 2.75Å; R39-D83 PolarHBondContact NH2-OD1 3.13Å
40	P	92.5	Very high	84.4	Confident	44 Å²	44	61.2 Å²	61.2	29%	0.286	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	134.5	-179.2	9.6	-16.5	0	0	0	112.3	M46 L67	P40-M46 HydrophobicContact CB-CE 3.86Å; P40-M46 HydrophobicContact CB-CG 4.28Å; P40-M46 HydrophobicContact CG-CE 3.96Å; P40-M46 HydrophobicContact CG-CG 4.38Å; P40-L67 HydrophobicContact CB-CD2 4.21Å
41	R	89	Confident	83.2	Confident	122 Å²	122	60.7 Å²	60.7	46%	0.46	34%	0.344	S	S	.	.	S	Bend	trans	-69.3	-32.3	-178.6	-72.2	180	-171.5	-174.1	7.8	113.4	R39 I66 L67 T68	R39-R41 PolarHBondContact O-N 3.24Å; R41-I66 PolarHBondContact N-O 2.98Å; R41-I66 VanDerWaalsContact N-O 3.07Å; R41-L67 PolarHBondContact NE-O 2.86Å; R41-L67 PolarHBondContact NH2-O 3.17Å; R41-L67 VanDerWaalsContact NH2-O 3.08Å; R41-T68 WeakPolarHBondContact CG-OG1 3.22Å
42	H	82.5	Confident	82.6	Confident	131 Å²	131	65.2 Å²	65.2	61%	0.606	36%	0.363	S	S	*	.	S	Bend	trans	-135.9	143.2	-179.5	-46.8	-63.9	0	0	0	109.9	V45	H42-V45 HydrophobicContact CB-CG2 3.68Å; H42-V45 WeakPolarHBondContact O-CG2 3.37Å
43	Q	72.3	Confident	82.1	Confident	205 Å²	205	69.9 Å²	69.9	96%	0.958	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	138.4	171.6	-72.1	-179	-13	0	0	109.6
44	G	70.2	Confident	81.9	Confident	41 Å²	41	71.3 Å²	71.3	42%	0.423	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	-11.6	177.6	0	0	0	0	0	116.3	M46 V47	G44-M46 PolarHBondContact O-N 3.28Å; G44-V47 VanDerWaalsContact O-CG2 3.23Å; G44-V47 WeakPolarHBondContact O-CG2 3.03Å; G44-V47 PolarHBondContact O-N 3.08Å; G44-V47 VanDerWaalsContact O-N 3.14Å
45	V	65.8	Low	81.8	Confident	61 Å²	61	70.4 Å²	70.4	37%	0.37	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.2	176.7	-177	0	0	0	0	112.3	H42 I66	H42-V45 HydrophobicContact CB-CG2 3.68Å; H42-V45 WeakPolarHBondContact O-CG2 3.37Å; V45-I66 HydrophobicContact CG1-CB 3.9Å; V45-I66 HydrophobicContact CG1-CD1 4.18Å; V45-I66 HydrophobicContact CG1-CG2 3.85Å
46	M	64.9	Low	81.9	Confident	6 Å²	6	71 Å²	71	3%	0.03	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	7.1	-178.8	-64.7	-78.5	-169.7	0	0	114.1	P40 G44 G48 M49 Q51 Y55 I66 L67	P40-M46 HydrophobicContact CB-CE 3.86Å; P40-M46 HydrophobicContact CB-CG 4.28Å; P40-M46 HydrophobicContact CG-CE 3.96Å; P40-M46 HydrophobicContact CG-CG 4.38Å; G44-M46 PolarHBondContact O-N 3.28Å; M46-G48 PolarHBondContact O-N 2.87Å; M46-M49 PolarHBondContact O-N 3.23Å; M46-Q51 HydrophobicContact CB-CG 3.87Å; M46-Y55 HydrophobicContact CE-CD2 3.85Å; M46-Y55 HydrophobicContact CE-CE1 4.27Å; M46-Y55 HydrophobicContact CE-CE2 3.04Å; M46-Y55 WeakPolarHBondContact CE-OH 3.31Å; M46-Y55 HydrophobicContact SD-CE2 4.05Å; M46-Y55 PolarHBondContact SD-OH 2.91Å; M46-I66 HydrophobicContact CE-CD1 4.41Å; M46-I66 HydrophobicContact SD-CD1 4.48Å; M46-L67 HydrophobicContact CE-CD2 3.48Å; M46-L67 VanDerWaalsContact CE-CD2 3.48Å
47	V	62.7	Low	81.9	Confident	113 Å²	113	71 Å²	71	69%	0.685	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	117.6	-178.8	171.2	0	0	0	0	109.5	G44	G44-V47 VanDerWaalsContact O-CG2 3.23Å; G44-V47 WeakPolarHBondContact O-CG2 3.03Å; G44-V47 PolarHBondContact O-N 3.08Å; G44-V47 VanDerWaalsContact O-N 3.14Å
48	G	66.8	Low	81.8	Confident	84 Å²	84	75.3 Å²	75.3	87%	0.866	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.2	-11.3	-177.9	0	0	0	0	0	116.2	M46	M46-G48 PolarHBondContact O-N 2.87Å
49	M	63.8	Low	81.7	Confident	123 Å²	123	78.1 Å²	78.1	61%	0.606	43%	0.429	S	S	*	.	S	Bend	trans	-103.6	7.5	-176.4	-60.2	-170.8	88.3	0	0	114.7	M46	M46-M49 PolarHBondContact O-N 3.23Å
50	G	65.6	Low	81.7	Confident	48 Å²	48	74.2 Å²	74.2	50%	0.495	42%	0.415	S	S	.	.			trans	76.5	102	-168.6	0	0	0	0	0	110.2	K52 Y55	G50-K52 PolarHBondContact O-N 3.16Å; G50-Y55 PolarHBondContact O-OH 3.21Å
51	Q	72.7	Confident	81.8	Confident	139 Å²	139	74.1 Å²	74.1	65%	0.65	41%	0.41	S	S	*	.			trans	-71.3	96.5	179.5	-74.7	-177	-16.9	0	0	109.6	M46	M46-Q51 HydrophobicContact CB-CG 3.87Å
52	K	85.4	Confident	82	Confident	100 Å²	100	72.8 Å²	72.8	44%	0.435	42%	0.42	S	S	.	.			trans	-96.2	146.1	163.6	-57.6	-179.8	-174	171.8	0	108.8	G50 S54 Y55 E59	G50-K52 PolarHBondContact O-N 3.16Å; K52-S54 WeakPolarHBondContact CB-O 3.31Å; K52-S54 PolarHBondContact O-N 3.3Å; K52-Y55 HydrophobicContact CB-CE1 4.24Å; K52-Y55 HydrophobicContact CB-CE2 3.99Å; K52-Y55 HydrophobicContact CD-CD1 4.46Å; K52-Y55 HydrophobicContact CD-CE1 4.09Å; K52-Y55 HydrophobicContact CG-CE1 4.41Å; K52-Y55 PolarHBondContact N-OH 3.46Å; K52-Y55 WeakPolarHBondContact O-CE2 3.49Å; K52-E59 IonicContact NZ-OE1 2.87Å; K52-E59 IonicContact NZ-OE2 3.34Å; K52-E59 PolarHBondContact NZ-OE2 3.21Å
53	D	88.8	Confident	82.4	Confident	147 Å²	147	68.5 Å²	68.5	79%	0.786	40%	0.399	S	S	*	.	S	Bend	trans	-71.6	-23.8	174.8	-64.3	-32.5	0	0	0	112.4
54	S	94.6	Very high	83.3	Confident	29 Å²	29	59.6 Å²	59.6	20%	0.203	36%	0.357	C	S	.	.			trans	-150.9	156.3	178.2	60.4	0	0	0	0	112.6	G38 K52 K86	G38-S54 CarbonylContact O-C 3.48Å; G38-S54 VanDerWaalsContact O-CA 3.28Å; G38-S54 WeakPolarHBondContact O-CA 3.45Å; K52-S54 WeakPolarHBondContact CB-O 3.31Å; K52-S54 PolarHBondContact O-N 3.3Å; S54-K86 WeakPolarHBondContact OG-CD 3.19Å
55	Y	95.9	Very high	84.2	Confident	3 Å²	3	60.8 Å²	60.8	1%	0.012	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	147.3	-179.8	-61.6	-95.9	0	0	0	107.5	V37 G38 M46 G50 K52 E59 K63 L67	V37-Y55 CarbonylContact C-O 3.58Å; V37-Y55 WeakPolarHBondContact CA-O 3.49Å; G38-Y55 PolarHBondContact N-O 2.75Å; G38-Y55 PolarHBondContact O-N 3.29Å; M46-Y55 HydrophobicContact CE-CD2 3.85Å; M46-Y55 HydrophobicContact CE-CE1 4.27Å; M46-Y55 HydrophobicContact CE-CE2 3.04Å; M46-Y55 WeakPolarHBondContact CE-OH 3.31Å; M46-Y55 HydrophobicContact SD-CE2 4.05Å; M46-Y55 PolarHBondContact SD-OH 2.91Å; G50-Y55 PolarHBondContact O-OH 3.21Å; K52-Y55 HydrophobicContact CB-CE1 4.24Å; K52-Y55 HydrophobicContact CB-CE2 3.99Å; K52-Y55 HydrophobicContact CD-CD1 4.46Å; K52-Y55 HydrophobicContact CD-CE1 4.09Å; K52-Y55 HydrophobicContact CG-CE1 4.41Å; K52-Y55 PolarHBondContact N-OH 3.46Å; K52-Y55 WeakPolarHBondContact O-CE2 3.49Å; Y55-E59 VanDerWaalsContact CD1-CD 3.42Å; Y55-E59 HydrophobicContact CD1-CG 3.84Å; Y55-E59 WeakPolarHBondContact CD1-OE1 3.21Å; Y55-E59 VanDerWaalsContact CE1-OE1 3.28Å; Y55-E59 WeakPolarHBondContact CE1-OE1 3.35Å; Y55-K63 HydrophobicContact CD1-CD 4.06Å; Y55-K63 HydrophobicContact CE1-CD 4.09Å; Y55-L67 HydrophobicContact CD2-CD1 3.96Å; Y55-L67 HydrophobicContact CD2-CD2 3.95Å; Y55-L67 HydrophobicContact CE2-CD2 4.34Å; Y55-L67 HydrophobicContact CG-CD1 3.97Å
56	V	97.9	Very high	85.3	Confident	13 Å²	13	60.7 Å²	60.7	8%	0.079	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	151.2	-176.6	-176.7	0	0	0	0	109.7	F33 I36 V37 E59 A60 K86 I87 H90	F33-V56 HydrophobicContact CE2-CG1 4.21Å; I36-V56 WeakPolarHBondContact O-CA 3.45Å; V37-V56 HydrophobicContact CG2-CG2 4.39Å; V56-E59 WeakPolarHBondContact O-CB 3.29Å; V56-E59 PolarHBondContact O-N 2.93Å; V56-A60 PolarHBondContact O-N 3.02Å; V56-K86 HydrophobicContact CG2-CB 4.14Å; V56-I87 HydrophobicContact CG1-CG1 3.95Å; V56-H90 HydrophobicContact CB-CB 3.95Å; V56-H90 HydrophobicContact CG1-CB 3.68Å; V56-H90 HydrophobicContact CG2-CB 4.28Å
57	G	97.5	Very high	86.6	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	62.1	-137.2	169	0	0	0	0	0	114.1	P34 I36 E59 A60 Q61	P34-G57 WeakPolarHBondContact O-CA 3.47Å; I36-G57 PolarHBondContact O-N 2.88Å; I36-G57 VanDerWaalsContact O-N 3.16Å; G57-E59 PolarHBondContact O-N 3.45Å; G57-A60 WeakPolarHBondContact O-CB 3.2Å; G57-A60 PolarHBondContact O-N 3.2Å; G57-Q61 PolarHBondContact O-N 3.05Å
58	D	96.7	Very high	88.1	Confident	90 Å²	90	58.4 Å²	58.4	48%	0.481	35%	0.353	S	S	.	.	H	α-helix	trans	-62.4	-29.7	-178.9	-66	-42.2	0	0	0	112.5	P34 A60 Q61 S62	P34-D58 WeakPolarHBondContact CD-OD1 3.41Å; D58-A60 VanDerWaalsContact C-N 3.34Å; D58-Q61 PolarHBondContact O-N 3.14Å; D58-S62 WeakPolarHBondContact O-CB 3.38Å; D58-S62 PolarHBondContact O-N 2.93Å; D58-S62 PolarHBondContact O-OG 3.11Å
59	E	95	Very high	89.4	Confident	59 Å²	59	56 Å²	56	28%	0.276	32%	0.32	S	S	.	.	H	α-helix	trans	-65.4	-40.1	174.9	-162	-173.8	174.8	0	0	111.3	K52 Y55 V56 G57 S62 K63	K52-E59 IonicContact NZ-OE1 2.87Å; K52-E59 IonicContact NZ-OE2 3.34Å; K52-E59 PolarHBondContact NZ-OE2 3.21Å; Y55-E59 VanDerWaalsContact CD1-CD 3.42Å; Y55-E59 HydrophobicContact CD1-CG 3.84Å; Y55-E59 WeakPolarHBondContact CD1-OE1 3.21Å; Y55-E59 VanDerWaalsContact CE1-OE1 3.28Å; Y55-E59 WeakPolarHBondContact CE1-OE1 3.35Å; V56-E59 WeakPolarHBondContact O-CB 3.29Å; V56-E59 PolarHBondContact O-N 2.93Å; G57-E59 PolarHBondContact O-N 3.45Å; E59-S62 PolarHBondContact O-OG 3.02Å; E59-S62 VanDerWaalsContact O-OG 3.05Å; E59-K63 WeakPolarHBondContact O-CG 3.34Å; E59-K63 IonicContact OE1-NZ 3.62Å; E59-K63 PolarHBondContact OE1-NZ 2.81Å
60	A	95.7	Very high	91	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-70.3	-40.7	173.9	0	0	0	0	0	111.4	I36 V56 G57 D58 K63 R64 L67 L69	I36-A60 HydrophobicContact CD1-CB 4.03Å; I36-A60 HydrophobicContact CG1-CB 4Å; V56-A60 PolarHBondContact O-N 3.02Å; G57-A60 WeakPolarHBondContact O-CB 3.2Å; G57-A60 PolarHBondContact O-N 3.2Å; D58-A60 VanDerWaalsContact C-N 3.34Å; A60-K63 CarbonylContact O-C 3.55Å; A60-K63 PolarHBondContact O-N 3.05Å; A60-R64 PolarHBondContact O-N 3.1Å; A60-L67 HydrophobicContact CB-CD1 4.34Å; A60-L69 HydrophobicContact CB-CD2 3.98Å
61	Q	94.2	Very high	92.5	Very high	43 Å²	43	55.9 Å²	55.9	20%	0.201	30%	0.301	C	S	.	.	H	α-helix	trans	-62.2	-48	-178.4	-171.6	64.1	2.9	0	0	112.1	I36 G57 D58 K63 R64 E209	I36-Q61 HydrophobicContact CD1-CB 3.99Å; I36-Q61 VanDerWaalsContact CD1-OE1 3.27Å; G57-Q61 PolarHBondContact O-N 3.05Å; D58-Q61 PolarHBondContact O-N 3.14Å; Q61-K63 PolarHBondContact O-N 3.07Å; Q61-R64 VanDerWaalsContact O-CB 3.3Å; Q61-R64 WeakPolarHBondContact O-CB 3.33Å; Q61-R64 PolarHBondContact O-N 3.03Å; Q61-E209 PolarHBondContact NE2-OE1 2.89Å; Q61-E209 PolarHBondContact NE2-OE2 2.96Å
62	S	92.6	Very high	93.7	Very high	94 Å²	94	49.3 Å²	49.3	66%	0.657	27%	0.27	S	S	*	.	H	α-helix	trans	-62.2	-23.5	178.2	56.4	0	0	0	0	113.4	D58 E59	D58-S62 WeakPolarHBondContact O-CB 3.38Å; D58-S62 PolarHBondContact O-N 2.93Å; D58-S62 PolarHBondContact O-OG 3.11Å; E59-S62 PolarHBondContact O-OG 3.02Å; E59-S62 VanDerWaalsContact O-OG 3.05Å
63	K	91.5	Very high	94.3	Very high	41 Å²	41	44.7 Å²	44.7	18%	0.178	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	15	179.6	-62.2	-176.8	-179.6	87.8	0	113.4	Y55 E59 A60 Q61 G65 I66 L67	Y55-K63 HydrophobicContact CD1-CD 4.06Å; Y55-K63 HydrophobicContact CE1-CD 4.09Å; E59-K63 WeakPolarHBondContact O-CG 3.34Å; E59-K63 IonicContact OE1-NZ 3.62Å; E59-K63 PolarHBondContact OE1-NZ 2.81Å; A60-K63 CarbonylContact O-C 3.55Å; A60-K63 PolarHBondContact O-N 3.05Å; Q61-K63 PolarHBondContact O-N 3.07Å; K63-G65 PolarHBondContact O-N 3.02Å; K63-I66 HydrophobicContact CB-CD1 4.42Å; K63-I66 HydrophobicContact CB-CG1 4.15Å; K63-I66 VanDerWaalsContact O-CG1 3.28Å; K63-I66 WeakPolarHBondContact O-CG1 3.35Å; K63-I66 PolarHBondContact O-N 3.3Å; K63-L67 HydrophobicContact CB-CD1 3.58Å; K63-L67 HydrophobicContact CB-CG 3.81Å; K63-L67 WeakPolarHBondContact O-CG 3.37Å; K63-L67 PolarHBondContact O-N 3.44Å; K63-L67 VanDerWaalsContact O-N 3.11Å
64	R	91.4	Very high	94.6	Very high	18 Å²	18	42.2 Å²	42.2	7%	0.068	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-33.3	-176.1	179.7	173.2	-71.2	-135.8	-5.1	114.9	A60 Q61 I66 L67 L69 Y71 T205 E209	A60-R64 PolarHBondContact O-N 3.1Å; Q61-R64 VanDerWaalsContact O-CB 3.3Å; Q61-R64 WeakPolarHBondContact O-CB 3.33Å; Q61-R64 PolarHBondContact O-N 3.03Å; R64-I66 VanDerWaalsContact C-N 3.28Å; R64-I66 PolarHBondContact O-N 3.17Å; R64-L67 VanDerWaalsContact O-O 3.09Å; R64-L69 HydrophobicContact CB-CD1 3.83Å; R64-L69 HydrophobicContact CG-CD1 3.59Å; R64-L69 HydrophobicContact CG-CG 4.35Å; R64-Y71 PolarHBondContact NH2-OH 2.89Å; R64-T205 WeakPolarHBondContact CD-O 3.43Å; R64-T205 PolarHBondContact NH1-O 3.36Å; R64-E209 IonicContact CZ-OE1 2.72Å; R64-E209 IonicContact NH1-OE1 3.72Å; R64-E209 PolarHBondContact NH1-OE1 3.02Å; R64-E209 IonicContact NH2-OE1 3.22Å; R64-E209 PolarHBondContact NH2-OE1 2.94Å
65	G	87.9	Confident	94.5	Very high	66 Å²	66	44 Å²	44	68%	0.68	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-29.3	179.5	0	0	0	0	0	114.4	K63	K63-G65 PolarHBondContact O-N 3.02Å
66	I	89.9	Confident	94.5	Very high	59 Å²	59	44.5 Å²	44.5	30%	0.303	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-7.6	-177.6	59.9	169.5	0	0	0	113.3	R41 V45 M46 K63 R64	R41-I66 PolarHBondContact N-O 2.98Å; R41-I66 VanDerWaalsContact N-O 3.07Å; V45-I66 HydrophobicContact CG1-CB 3.9Å; V45-I66 HydrophobicContact CG1-CD1 4.18Å; V45-I66 HydrophobicContact CG1-CG2 3.85Å; M46-I66 HydrophobicContact CE-CD1 4.41Å; M46-I66 HydrophobicContact SD-CD1 4.48Å; K63-I66 HydrophobicContact CB-CD1 4.42Å; K63-I66 HydrophobicContact CB-CG1 4.15Å; K63-I66 VanDerWaalsContact O-CG1 3.28Å; K63-I66 WeakPolarHBondContact O-CG1 3.35Å; K63-I66 PolarHBondContact O-N 3.3Å; R64-I66 VanDerWaalsContact C-N 3.28Å; R64-I66 PolarHBondContact O-N 3.17Å
67	L	92.5	Very high	94.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	149.3	178.9	-59.3	-174.6	0	0	0	111.8	R39 P40 R41 M46 Y55 A60 K63 R64 L69	R39-L67 CarbonylContact O-C 3.54Å; R39-L67 WeakPolarHBondContact O-CA 3.45Å; P40-L67 HydrophobicContact CB-CD2 4.21Å; R41-L67 PolarHBondContact NE-O 2.86Å; R41-L67 PolarHBondContact NH2-O 3.17Å; R41-L67 VanDerWaalsContact NH2-O 3.08Å; M46-L67 HydrophobicContact CE-CD2 3.48Å; M46-L67 VanDerWaalsContact CE-CD2 3.48Å; Y55-L67 HydrophobicContact CD2-CD1 3.96Å; Y55-L67 HydrophobicContact CD2-CD2 3.95Å; Y55-L67 HydrophobicContact CE2-CD2 4.34Å; Y55-L67 HydrophobicContact CG-CD1 3.97Å; A60-L67 HydrophobicContact CB-CD1 4.34Å; K63-L67 HydrophobicContact CB-CD1 3.58Å; K63-L67 HydrophobicContact CB-CG 3.81Å; K63-L67 WeakPolarHBondContact O-CG 3.37Å; K63-L67 PolarHBondContact O-N 3.44Å; K63-L67 VanDerWaalsContact O-N 3.11Å; R64-L67 VanDerWaalsContact O-O 3.09Å; L67-L69 HydrophobicContact CB-CD2 3.83Å; L67-L69 HydrophobicContact CD1-CD2 4.28Å
68	T	93.7	Very high	94.4	Very high	71 Å²	71	45.8 Å²	45.8	44%	0.436	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	115.2	157.3	-62.1	0	0	0	0	107.3	G38 R39 R41	G38-T68 WeakPolarHBondContact CA-O 3.46Å; R39-T68 PolarHBondContact N-O 3.42Å; R39-T68 PolarHBondContact O-N 3.09Å; R41-T68 WeakPolarHBondContact CG-OG1 3.22Å
69	L	95.1	Very high	94.5	Very high	33 Å²	33	44.9 Å²	44.9	17%	0.173	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	137.6	180	-56.2	-176.4	0	0	0	110.5	I36 A60 R64 L67	I36-L69 HydrophobicContact CD1-CD1 4.21Å; A60-L69 HydrophobicContact CB-CD2 3.98Å; R64-L69 HydrophobicContact CB-CD1 3.83Å; R64-L69 HydrophobicContact CG-CD1 3.59Å; R64-L69 HydrophobicContact CG-CG 4.35Å; L67-L69 HydrophobicContact CB-CD2 3.83Å; L67-L69 HydrophobicContact CD1-CD2 4.28Å
70	K	96.8	Very high	94.6	Very high	112 Å²	112	44.3 Å²	44.3	49%	0.487	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	151.1	173.9	-69	-169.2	174	-172	0	110.4	I36 V37	I36-K70 WeakPolarHBondContact CA-O 3.19Å; V37-K70 PolarHBondContact N-O 3.35Å; V37-K70 PolarHBondContact O-N 3.21Å
71	Y	96.2	Very high	94.7	Very high	57 Å²	57	46.6 Å²	46.6	22%	0.224	26%	0.256	C	S	.	.			trans	-112.2	114	177.3	-61.1	-99.6	0	0	0	107.2	I36 R64 I73 R185	I36-Y71 HydrophobicContact CG2-CD1 3.44Å; I36-Y71 VanDerWaalsContact CG2-CD1 3.44Å; I36-Y71 HydrophobicContact CG2-CE1 3.19Å; I36-Y71 HydrophobicContact CG2-CE2 4.37Å; I36-Y71 HydrophobicContact CG2-CG 4.14Å; R64-Y71 PolarHBondContact NH2-OH 2.89Å; Y71-I73 PolarHBondContact O-N 2.72Å; Y71-R185 VanDerWaalsContact CD1-NH2 3.29Å
72	P	97.9	Very high	94.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-77.4	-8.9	-179.4	27.4	-30.4	0	0	0	114	S35 I78 T79 N80 D83 M84 I87	S35-P72 WeakPolarHBondContact O-CD 3.43Å; P72-I78 CarbonylContact O-C 3.54Å; P72-I78 WeakPolarHBondContact O-CA 3.42Å; P72-T79 PolarHBondContact O-N 2.94Å; P72-T79 PolarHBondContact O-OG1 2.94Å; P72-N80 HydrophobicContact CB-CB 4.15Å; P72-N80 WeakPolarHBondContact CB-O 3.46Å; P72-N80 PolarHBondContact O-N 2.74Å; P72-D83 HydrophobicContact CB-CB 3.73Å; P72-D83 HydrophobicContact CG-CB 4.16Å; P72-M84 HydrophobicContact CB-CB 4.41Å; P72-M84 HydrophobicContact CG-SD 4.32Å; P72-I87 HydrophobicContact CG-CD1 3.31Å; P72-I87 HydrophobicContact CG-CG1 4.39Å
73	I	97.8	Very high	95.2	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.015	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120	178.3	-50.6	175.4	0	0	0	108.6	N14 S16 Y71 I77 I78 M84	N14-I73 HydrophobicContact CB-CD1 4.13Å; S16-I73 WeakPolarHBondContact OG-CG2 3.49Å; Y71-I73 PolarHBondContact O-N 2.72Å; I73-I77 CarbonylContact C-O 3.52Å; I73-I77 VanDerWaalsContact CA-O 3.31Å; I73-I77 WeakPolarHBondContact CA-O 3.29Å; I73-I78 HydrophobicContact CG1-CG1 4.01Å; I73-M84 HydrophobicContact CD1-CE 4.1Å; I73-M84 HydrophobicContact CD1-SD 3.79Å; I73-M84 HydrophobicContact CG1-SD 3.86Å
74	E	95	Very high	95.5	Very high	95 Å²	95	43.2 Å²	43.2	44%	0.444	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.5	177.9	-66.5	175.4	-145.8	0	0	109.2	G76 I77 T79	E74-G76 PolarHBondContact O-N 3.29Å; E74-G76 VanDerWaalsContact O-N 3.16Å; E74-I77 PolarHBondContact N-O 2.89Å; E74-I77 PolarHBondContact O-N 3.12Å; E74-T79 HydrophobicContact CB-CG2 4Å; E74-T79 HydrophobicContact CG-CG2 4.29Å; E74-T79 PolarHBondContact OE1-OG1 2.81Å
75	H	94.4	Very high	95.9	Very high	68 Å²	68	44.6 Å²	44.6	32%	0.315	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	43.7	-178.1	-48	100.6	0	0	0	113.8	I77 G160 V161	H75-I77 VanDerWaalsContact C-N 3.28Å; H75-I77 PolarHBondContact O-N 2.86Å; H75-G160 WeakPolarHBondContact CA-O 3.31Å; H75-G160 PolarHBondContact CD2-O 3.04Å; H75-V161 HydrophobicContact CB-CB 4.26Å
76	G	94.2	Very high	96.4	Very high	13 Å²	13	44.5 Å²	44.5	13%	0.134	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	-2.8	-178.7	0	0	0	0	0	115.9	S16 E74	S16-G76 WeakPolarHBondContact OG-CA 3.42Å; S16-G76 PolarHBondContact OG-N 3.35Å; E74-G76 PolarHBondContact O-N 3.29Å; E74-G76 VanDerWaalsContact O-N 3.16Å
77	I	97	Very high	96.8	Very high	26 Å²	26	41.7 Å²	41.7	13%	0.133	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.7	-176.9	-55.1	-55.3	0	0	0	110.4	I73 E74 H75 T79 N117	I73-I77 CarbonylContact C-O 3.52Å; I73-I77 VanDerWaalsContact CA-O 3.31Å; I73-I77 WeakPolarHBondContact CA-O 3.29Å; E74-I77 PolarHBondContact N-O 2.89Å; E74-I77 PolarHBondContact O-N 3.12Å; H75-I77 VanDerWaalsContact C-N 3.28Å; H75-I77 PolarHBondContact O-N 2.86Å; I77-T79 PolarHBondContact O-N 2.72Å; I77-N117 WeakPolarHBondContact CG2-ND2 3.35Å
78	I	98	Very high	97.1	Very high	13 Å²	13	41.7 Å²	41.7	7%	0.067	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	118.9	171.4	-61.4	160	0	0	0	108.8	P72 I73 W81 M84 W88 N117 M121	P72-I78 CarbonylContact O-C 3.54Å; P72-I78 WeakPolarHBondContact O-CA 3.42Å; I73-I78 HydrophobicContact CG1-CG1 4.01Å; I78-W81 HydrophobicContact CB-CH2 4.03Å; I78-W81 HydrophobicContact CB-CZ2 4.08Å; I78-W81 HydrophobicContact CB-CZ3 4.33Å; I78-W81 HydrophobicContact CD1-CE3 4.46Å; I78-W81 HydrophobicContact CD1-CH2 3.73Å; I78-W81 HydrophobicContact CD1-CZ3 3.66Å; I78-W81 HydrophobicContact CG2-CD2 3.78Å; I78-W81 HydrophobicContact CG2-CE3 3.8Å; I78-W81 HydrophobicContact CG2-CG 4.4Å; I78-W81 HydrophobicContact CG2-CH2 4.07Å; I78-W81 HydrophobicContact CG2-CZ2 4.02Å; I78-W81 HydrophobicContact CG2-CZ3 3.98Å; I78-M84 HydrophobicContact CD1-CG 3.92Å; I78-M84 HydrophobicContact CD1-SD 4.33Å; I78-M84 HydrophobicContact CG1-CG 4.16Å; I78-M84 HydrophobicContact CG1-SD 4.17Å; I78-M84 HydrophobicContact CG2-CB 3.93Å; I78-M84 HydrophobicContact CG2-CG 4.16Å; I78-W88 HydrophobicContact CD1-CH2 4.12Å; I78-W88 HydrophobicContact CD1-CZ2 4.17Å; I78-N117 PolarHBondContact O-ND2 3.41Å; I78-M121 HydrophobicContact CD1-CG 4.14Å; I78-M121 HydrophobicContact CD1-SD 4.13Å
79	T	97.3	Very high	97.3	Very high	72 Å²	72	42.6 Å²	42.6	44%	0.442	21%	0.207	S	C	.	.			trans	-107.5	-18.2	178	58	0	0	0	0	112.6	P72 E74 I77	P72-T79 PolarHBondContact O-N 2.94Å; P72-T79 PolarHBondContact O-OG1 2.94Å; E74-T79 HydrophobicContact CB-CG2 4Å; E74-T79 HydrophobicContact CG-CG2 4.29Å; E74-T79 PolarHBondContact OE1-OG1 2.81Å; I77-T79 PolarHBondContact O-N 2.72Å
80	N	98.2	Very high	97.4	Very high	47 Å²	47	41.8 Å²	41.8	25%	0.251	20%	0.203	S	C	.	.			trans	-134.6	102.9	178.4	-176.1	-22.4	0	0	0	111.4	P72 D82 D83 M84	P72-N80 HydrophobicContact CB-CB 4.15Å; P72-N80 WeakPolarHBondContact CB-O 3.46Å; P72-N80 PolarHBondContact O-N 2.74Å; N80-D82 PolarHBondContact OD1-N 3.19Å; N80-D83 HydrophobicContact CB-CB 4.29Å; N80-D83 PolarHBondContact ND2-OD2 3.16Å; N80-D83 PolarHBondContact OD1-N 3.02Å; N80-D83 VanDerWaalsContact OD1-N 3.1Å; N80-M84 PolarHBondContact O-N 3.49Å
81	W	98.2	Very high	97.5	Very high	47 Å²	47	36.5 Å²	36.5	18%	0.178	18%	0.179	C	C	.	.	H	α-helix	trans	-69.7	-39.1	-177	-66.1	101.9	0	0	0	113.3	I78 D83 M84 E85 W88 N117 K120 M121 I124	I78-W81 HydrophobicContact CB-CH2 4.03Å; I78-W81 HydrophobicContact CB-CZ2 4.08Å; I78-W81 HydrophobicContact CB-CZ3 4.33Å; I78-W81 HydrophobicContact CD1-CE3 4.46Å; I78-W81 HydrophobicContact CD1-CH2 3.73Å; I78-W81 HydrophobicContact CD1-CZ3 3.66Å; I78-W81 HydrophobicContact CG2-CD2 3.78Å; I78-W81 HydrophobicContact CG2-CE3 3.8Å; I78-W81 HydrophobicContact CG2-CG 4.4Å; I78-W81 HydrophobicContact CG2-CH2 4.07Å; I78-W81 HydrophobicContact CG2-CZ2 4.02Å; I78-W81 HydrophobicContact CG2-CZ3 3.98Å; W81-D83 PolarHBondContact O-N 3.37Å; W81-M84 PolarHBondContact O-N 3.26Å; W81-M84 VanDerWaalsContact O-N 3.09Å; W81-E85 WeakPolarHBondContact O-CG 3.47Å; W81-E85 PolarHBondContact O-N 2.8Å; W81-W88 HydrophobicContact CE3-CH2 4.5Å; W81-W88 HydrophobicContact CZ3-CH2 4Å; W81-W88 HydrophobicContact CZ3-CZ3 4.45Å; W81-N117 HydrophobicContact CH2-CB 4.09Å; W81-N117 VanDerWaalsContact CH2-O 3.3Å; W81-N117 WeakPolarHBondContact CH2-O 3.3Å; W81-N117 HydrophobicContact CZ2-CB 3.82Å; W81-K120 HydrophobicContact CD2-CB 4.17Å; W81-K120 HydrophobicContact CD2-CG 3.38Å; W81-K120 VanDerWaalsContact CE2-CG 3.47Å; W81-K120 HydrophobicContact CE3-CB 4.29Å; W81-K120 HydrophobicContact CE3-CG 3.63Å; W81-K120 HydrophobicContact CG-CG 3.87Å; W81-K120 HydrophobicContact CH2-CB 3.78Å; W81-K120 HydrophobicContact CH2-CG 4.04Å; W81-K120 HydrophobicContact CZ2-CB 3.66Å; W81-K120 HydrophobicContact CZ2-CG 3.84Å; W81-K120 HydrophobicContact CZ3-CB 4.08Å; W81-K120 HydrophobicContact CZ3-CG 3.92Å; W81-M121 HydrophobicContact CH2-CG 3.7Å; W81-M121 HydrophobicContact CZ3-CG 3.72Å; W81-I124 HydrophobicContact CB-CD1 4.41Å; W81-I124 HydrophobicContact CD2-CD1 4.24Å; W81-I124 HydrophobicContact CE3-CD1 3.44Å; W81-I124 VanDerWaalsContact CE3-CD1 3.44Å; W81-I124 HydrophobicContact CZ3-CD1 4.08Å
82	D	98.1	Very high	97.6	Very high	106 Å²	106	33.8 Å²	33.8	57%	0.567	17%	0.169	S	C	*	.	H	α-helix	trans	-61.9	-35.1	178.7	-64.2	-8.3	0	0	0	112.2	N80 K86	N80-D82 PolarHBondContact OD1-N 3.19Å; D82-K86 WeakPolarHBondContact O-CG 3.06Å; D82-K86 PolarHBondContact O-NZ 3.35Å
83	D	98.4	Very high	97.6	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-80	-32.9	175.8	-77.7	-8.3	0	0	0	111.4	V37 R39 P72 N80 W81 K86 I87	V37-D83 HydrophobicContact CB-CB 4.25Å; V37-D83 HydrophobicContact CG2-CB 3.78Å; V37-D83 WeakPolarHBondContact CG2-O 3.44Å; R39-D83 IonicContact CZ-OD1 3.5Å; R39-D83 IonicContact NH1-OD1 3.5Å; R39-D83 PolarHBondContact NH1-OD1 3.18Å; R39-D83 IonicContact NH1-OD2 3.86Å; R39-D83 PolarHBondContact NH1-OD2 2.87Å; R39-D83 VanDerWaalsContact NH1-OD2 3.08Å; R39-D83 IonicContact NH2-OD1 2.75Å; R39-D83 PolarHBondContact NH2-OD1 3.13Å; P72-D83 HydrophobicContact CB-CB 3.73Å; P72-D83 HydrophobicContact CG-CB 4.16Å; N80-D83 HydrophobicContact CB-CB 4.29Å; N80-D83 PolarHBondContact ND2-OD2 3.16Å; N80-D83 PolarHBondContact OD1-N 3.02Å; N80-D83 VanDerWaalsContact OD1-N 3.1Å; W81-D83 PolarHBondContact O-N 3.37Å; D83-K86 WeakPolarHBondContact O-CB 3.38Å; D83-K86 PolarHBondContact O-N 3.48Å; D83-I87 PolarHBondContact O-N 2.8Å; D83-I87 VanDerWaalsContact O-N 3.14Å
84	M	98.3	Very high	97.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.3	-40.8	173.7	-164.5	65.8	-153.4	0	0	112.3	N14 P72 I73 I78 N80 W81 K86 I87 W88	N14-M84 HydrophobicContact CB-CE 4.19Å; N14-M84 VanDerWaalsContact OD1-CE 3.28Å; N14-M84 WeakPolarHBondContact OD1-CE 3.09Å; P72-M84 HydrophobicContact CB-CB 4.41Å; P72-M84 HydrophobicContact CG-SD 4.32Å; I73-M84 HydrophobicContact CD1-CE 4.1Å; I73-M84 HydrophobicContact CD1-SD 3.79Å; I73-M84 HydrophobicContact CG1-SD 3.86Å; I78-M84 HydrophobicContact CD1-CG 3.92Å; I78-M84 HydrophobicContact CD1-SD 4.33Å; I78-M84 HydrophobicContact CG1-CG 4.16Å; I78-M84 HydrophobicContact CG1-SD 4.17Å; I78-M84 HydrophobicContact CG2-CB 3.93Å; I78-M84 HydrophobicContact CG2-CG 4.16Å; N80-M84 PolarHBondContact O-N 3.49Å; W81-M84 PolarHBondContact O-N 3.26Å; W81-M84 VanDerWaalsContact O-N 3.09Å; M84-K86 VanDerWaalsContact C-N 3.25Å; M84-K86 PolarHBondContact O-N 3.35Å; M84-I87 HydrophobicContact CE-CB 4.42Å; M84-I87 HydrophobicContact CE-CG2 3.99Å; M84-I87 WeakPolarHBondContact O-CA 3.33Å; M84-I87 WeakPolarHBondContact O-CB 3.29Å; M84-I87 PolarHBondContact O-N 3.42Å; M84-I87 HydrophobicContact SD-CB 4.48Å; M84-I87 HydrophobicContact SD-CD1 4.43Å; M84-W88 HydrophobicContact CB-CZ3 4.47Å; M84-W88 HydrophobicContact CE-CD2 4.08Å; M84-W88 HydrophobicContact CE-CG 4.36Å; M84-W88 HydrophobicContact CE-CZ2 3.66Å; M84-W88 HydrophobicContact CG-CD2 4.06Å; M84-W88 HydrophobicContact CG-CE3 4.04Å; M84-W88 HydrophobicContact CG-CH2 3.65Å; M84-W88 HydrophobicContact CG-CZ2 3.66Å; M84-W88 HydrophobicContact CG-CZ3 3.85Å; M84-W88 PolarHBondContact O-N 3.04Å; M84-W88 HydrophobicContact SD-CZ2 4.49Å
85	E	98.3	Very high	97.8	Very high	47 Å²	47	40.6 Å²	40.6	22%	0.22	20%	0.2	C	C	.	.	H	α-helix	trans	-57.7	-38.9	173.5	-76.6	-176.4	-136.3	0	0	111.6	W81 I87 W88 H89 I124	W81-E85 WeakPolarHBondContact O-CG 3.47Å; W81-E85 PolarHBondContact O-N 2.8Å; E85-I87 VanDerWaalsContact C-N 3.35Å; E85-I87 PolarHBondContact O-N 2.81Å; E85-W88 PolarHBondContact O-N 3.17Å; E85-H89 VanDerWaalsContact O-CB 3.29Å; E85-H89 WeakPolarHBondContact O-CB 3.06Å; E85-H89 PolarHBondContact O-N 3.38Å; E85-I124 HydrophobicContact CG-CD1 3.86Å; E85-I124 HydrophobicContact CG-CG1 4.23Å; E85-I124 HydrophobicContact CG-CG2 3.68Å; E85-I124 WeakPolarHBondContact OE1-CD1 3.36Å
86	K	98.4	Very high	97.9	Very high	64 Å²	64	38.1 Å²	38.1	28%	0.278	19%	0.189	S	C	.	.	H	α-helix	trans	-65.8	-37.2	174.3	-68.9	171.9	-173.9	68.7	0	112.3	V37 S54 V56 D82 D83 M84 H90	V37-K86 HydrophobicContact CG1-CD 4.02Å; V37-K86 HydrophobicContact CG2-CB 4.36Å; S54-K86 WeakPolarHBondContact OG-CD 3.19Å; V56-K86 HydrophobicContact CG2-CB 4.14Å; D82-K86 WeakPolarHBondContact O-CG 3.06Å; D82-K86 PolarHBondContact O-NZ 3.35Å; D83-K86 WeakPolarHBondContact O-CB 3.38Å; D83-K86 PolarHBondContact O-N 3.48Å; M84-K86 VanDerWaalsContact C-N 3.25Å; M84-K86 PolarHBondContact O-N 3.35Å; K86-H90 VanDerWaalsContact O-CB 3.25Å; K86-H90 WeakPolarHBondContact O-CB 3.35Å; K86-H90 PolarHBondContact O-N 2.76Å
87	I	98.6	Very high	98.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.1	-44.5	175.5	-72.6	-179.9	0	0	0	111.1	C19 F33 V37 V56 P72 D83 M84 E85 H90 S91	C19-I87 HydrophobicContact CB-CG2 4.23Å; F33-I87 HydrophobicContact CE2-CG2 4.05Å; F33-I87 HydrophobicContact CZ-CG2 4.11Å; V37-I87 HydrophobicContact CG2-CD1 4.48Å; V37-I87 HydrophobicContact CG2-CG1 4.09Å; V56-I87 HydrophobicContact CG1-CG1 3.95Å; P72-I87 HydrophobicContact CG-CD1 3.31Å; P72-I87 HydrophobicContact CG-CG1 4.39Å; D83-I87 PolarHBondContact O-N 2.8Å; D83-I87 VanDerWaalsContact O-N 3.14Å; M84-I87 HydrophobicContact CE-CB 4.42Å; M84-I87 HydrophobicContact CE-CG2 3.99Å; M84-I87 WeakPolarHBondContact O-CA 3.33Å; M84-I87 WeakPolarHBondContact O-CB 3.29Å; M84-I87 PolarHBondContact O-N 3.42Å; M84-I87 HydrophobicContact SD-CB 4.48Å; M84-I87 HydrophobicContact SD-CD1 4.43Å; E85-I87 VanDerWaalsContact C-N 3.35Å; E85-I87 PolarHBondContact O-N 2.81Å; I87-H90 PolarHBondContact O-N 3.1Å; I87-S91 PolarHBondContact O-N 2.78Å; I87-S91 PolarHBondContact O-OG 3.12Å
88	W	98.6	Very high	98.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.5	-43.6	176.7	-69.7	-39.2	0	0	0	112.2	N14 I78 W81 M84 E85 H90 S91 F92 L107 M121 I124 M125 F129	N14-W88 PolarHBondContact OD1-NE1 3.3Å; I78-W88 HydrophobicContact CD1-CH2 4.12Å; I78-W88 HydrophobicContact CD1-CZ2 4.17Å; W81-W88 HydrophobicContact CE3-CH2 4.5Å; W81-W88 HydrophobicContact CZ3-CH2 4Å; W81-W88 HydrophobicContact CZ3-CZ3 4.45Å; M84-W88 HydrophobicContact CB-CZ3 4.47Å; M84-W88 HydrophobicContact CE-CD2 4.08Å; M84-W88 HydrophobicContact CE-CG 4.36Å; M84-W88 HydrophobicContact CE-CZ2 3.66Å; M84-W88 HydrophobicContact CG-CD2 4.06Å; M84-W88 HydrophobicContact CG-CE3 4.04Å; M84-W88 HydrophobicContact CG-CH2 3.65Å; M84-W88 HydrophobicContact CG-CZ2 3.66Å; M84-W88 HydrophobicContact CG-CZ3 3.85Å; M84-W88 PolarHBondContact O-N 3.04Å; M84-W88 HydrophobicContact SD-CZ2 4.49Å; E85-W88 PolarHBondContact O-N 3.17Å; W88-H90 VanDerWaalsContact C-N 3.27Å; W88-H90 PolarHBondContact O-N 3.32Å; W88-S91 WeakPolarHBondContact O-CA 3.25Å; W88-S91 VanDerWaalsContact O-CB 3.32Å; W88-S91 WeakPolarHBondContact O-CB 3.47Å; W88-S91 PolarHBondContact O-N 2.84Å; W88-F92 HydrophobicContact CB-CD2 4.43Å; W88-F92 HydrophobicContact CB-CE2 3.92Å; W88-F92 HydrophobicContact CB-CZ 4.46Å; W88-F92 WeakPolarHBondContact O-CD2 3.41Å; W88-F92 WeakPolarHBondContact O-CG 3.39Å; W88-F92 PolarHBondContact O-N 3.19Å; W88-L107 HydrophobicContact CZ2-CD2 4Å; W88-M121 HydrophobicContact CH2-CB 4.48Å; W88-M121 HydrophobicContact CH2-CG 3.98Å; W88-M121 HydrophobicContact CZ2-CG 4.44Å; W88-I124 HydrophobicContact CE3-CG2 3.88Å; W88-I124 HydrophobicContact CZ3-CB 4.24Å; W88-I124 HydrophobicContact CZ3-CD1 3.99Å; W88-I124 HydrophobicContact CZ3-CG2 3.75Å; W88-M125 HydrophobicContact CB-CE 4.23Å; W88-M125 HydrophobicContact CD2-CE 3.31Å; W88-M125 HydrophobicContact CE3-CE 3.5Å; W88-M125 HydrophobicContact CG-CE 3.67Å; W88-M125 HydrophobicContact CH2-CE 4.23Å; W88-M125 HydrophobicContact CZ2-CE 4.09Å; W88-M125 HydrophobicContact CZ3-CE 3.96Å; W88-F129 HydrophobicContact CB-CE2 3.75Å; W88-F129 HydrophobicContact CB-CZ 3.7Å; W88-F129 HydrophobicContact CE3-CE2 4.08Å
89	H	98.4	Very high	98.1	Very high	91 Å²	91	47.9 Å²	47.9	42%	0.421	23%	0.227	S	C	.	.	H	α-helix	trans	-55.5	-45	172.5	-177.6	-64.6	0	0	0	111.2	E85 F92 Y93 F129	E85-H89 VanDerWaalsContact O-CB 3.29Å; E85-H89 WeakPolarHBondContact O-CB 3.06Å; E85-H89 PolarHBondContact O-N 3.38Å; H89-F92 PolarHBondContact O-N 3.42Å; H89-Y93 HydrophobicContact CB-CD2 4.4Å; H89-Y93 AromaticContact CD2-CD2 3.58Å; H89-Y93 AromaticContact CD2-CE2 3.68Å; H89-Y93 AromaticContact CE1-CD2 3.5Å; H89-Y93 AromaticContact CG-CD2 3.64Å; H89-Y93 AromaticContact ND1-CD2 3.6Å; H89-Y93 AromaticContact NE2-CD2 3.52Å; H89-Y93 AromaticContact NE2-CE2 3.82Å; H89-Y93 WeakPolarHBondContact O-CB 3.35Å; H89-Y93 VanDerWaalsContact O-CD2 3.31Å; H89-Y93 WeakPolarHBondContact O-CD2 3.26Å; H89-Y93 PolarHBondContact O-N 3.22Å; H89-F129 HydrophobicContact CB-CE1 4.05Å; H89-F129 HydrophobicContact CB-CZ 4.2Å
90	H	98.3	Very high	98.2	Very high	16 Å²	16	44.4 Å²	44.4	7%	0.074	21%	0.206	C	C	.	.	I	π-helix	trans	-62.3	-43.2	175.5	-177.1	68.2	0	0	0	112.1	F33 V56 K86 I87 W88 F92 N94 E95	F33-H90 AromaticContact CD2-CD2 3.9Å; F33-H90 AromaticContact CE2-CD2 3.65Å; F33-H90 AromaticContact CZ-CD2 3.82Å; V56-H90 HydrophobicContact CB-CB 3.95Å; V56-H90 HydrophobicContact CG1-CB 3.68Å; V56-H90 HydrophobicContact CG2-CB 4.28Å; K86-H90 VanDerWaalsContact O-CB 3.25Å; K86-H90 WeakPolarHBondContact O-CB 3.35Å; K86-H90 PolarHBondContact O-N 2.76Å; I87-H90 PolarHBondContact O-N 3.1Å; W88-H90 VanDerWaalsContact C-N 3.27Å; W88-H90 PolarHBondContact O-N 3.32Å; H90-F92 PolarHBondContact O-N 3.35Å; H90-N94 WeakPolarHBondContact ND1-CB 3.31Å; H90-N94 PolarHBondContact ND1-OD1 3.35Å; H90-N94 WeakPolarHBondContact O-CA 3.49Å; H90-N94 VanDerWaalsContact O-CB 3.3Å; H90-N94 WeakPolarHBondContact O-CB 3.39Å; H90-N94 PolarHBondContact O-N 3.36Å; H90-E95 IonicContact CE1-OE1 3.08Å; H90-E95 PolarHBondContact CE1-OE1 2.9Å; H90-E95 IonicContact NE2-OE1 2.72Å; H90-E95 PolarHBondContact NE2-OE1 3.13Å; H90-E95 PolarHBondContact O-N 3.25Å
91	S	98.5	Very high	98.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.214	C	C	.	.	I	π-helix	trans	-56.5	-50.2	176.1	-53	0	0	0	0	111.3	F33 I87 W88 E95 L96	F33-S91 VanDerWaalsContact CZ-OG 3.28Å; F33-S91 WeakPolarHBondContact CZ-OG 3.47Å; I87-S91 PolarHBondContact O-N 2.78Å; I87-S91 PolarHBondContact O-OG 3.12Å; W88-S91 WeakPolarHBondContact O-CA 3.25Å; W88-S91 VanDerWaalsContact O-CB 3.32Å; W88-S91 WeakPolarHBondContact O-CB 3.47Å; W88-S91 PolarHBondContact O-N 2.84Å; S91-E95 WeakPolarHBondContact O-CB 3.34Å; S91-L96 WeakPolarHBondContact O-CB 3.43Å; S91-L96 VanDerWaalsContact O-CG 3.28Å; S91-L96 WeakPolarHBondContact O-CG 3.33Å; S91-L96 PolarHBondContact O-N 2.94Å
92	F	98.6	Very high	98.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.233	C	C	.	.	I	π-helix	trans	-73.8	-52.9	-175.6	-56.7	-42.9	0	0	0	112.3	L10 W88 H89 H90 L96 R97 V98 P100 T105 M125 F129	L10-F92 HydrophobicContact CD1-CD1 3.74Å; L10-F92 HydrophobicContact CD1-CE1 3.85Å; W88-F92 HydrophobicContact CB-CD2 4.43Å; W88-F92 HydrophobicContact CB-CE2 3.92Å; W88-F92 HydrophobicContact CB-CZ 4.46Å; W88-F92 WeakPolarHBondContact O-CD2 3.41Å; W88-F92 WeakPolarHBondContact O-CG 3.39Å; W88-F92 PolarHBondContact O-N 3.19Å; H89-F92 PolarHBondContact O-N 3.42Å; H90-F92 PolarHBondContact O-N 3.35Å; F92-L96 CarbonylContact O-C 3.53Å; F92-R97 WeakPolarHBondContact O-CA 3.28Å; F92-R97 PolarHBondContact O-N 2.83Å; F92-V98 PolarHBondContact O-N 2.98Å; F92-P100 HydrophobicContact CB-CB 4.42Å; F92-P100 HydrophobicContact CB-CG 4.32Å; F92-P100 HydrophobicContact CD1-CB 4.43Å; F92-P100 HydrophobicContact CD2-CB 3.77Å; F92-P100 HydrophobicContact CD2-CG 3.92Å; F92-P100 HydrophobicContact CE2-CB 4.07Å; F92-P100 HydrophobicContact CG-CB 3.97Å; F92-P100 HydrophobicContact CG-CG 4.25Å; F92-T105 HydrophobicContact CE1-CG2 4.29Å; F92-T105 HydrophobicContact CZ-CG2 4.13Å; F92-M125 HydrophobicContact CE2-CE 4.34Å; F92-M125 HydrophobicContact CE2-SD 4.41Å; F92-M125 HydrophobicContact CZ-CE 4.24Å; F92-M125 HydrophobicContact CZ-SD 4.22Å; F92-F129 AromaticContact CD2-CD1 3.79Å; F92-F129 HydrophobicContact CD2-CD1 3.79Å; F92-F129 AromaticContact CD2-CE1 3.9Å; F92-F129 HydrophobicContact CD2-CE1 3.9Å; F92-F129 HydrophobicContact CD2-CG 4.25Å; F92-F129 HydrophobicContact CD2-CZ 4.45Å; F92-F129 HydrophobicContact CE2-CB 4.49Å; F92-F129 AromaticContact CE2-CD1 3.93Å; F92-F129 HydrophobicContact CE2-CD1 3.93Å; F92-F129 HydrophobicContact CE2-CD2 4.14Å; F92-F129 HydrophobicContact CE2-CE1 4.16Å; F92-F129 HydrophobicContact CE2-CE2 4.36Å; F92-F129 AromaticContact CE2-CG 3.92Å; F92-F129 HydrophobicContact CE2-CG 3.92Å; F92-F129 HydrophobicContact CE2-CZ 4.37Å
93	Y	98.1	Very high	98.1	Very high	90 Å²	90	46.4 Å²	46.4	35%	0.353	21%	0.212	S	C	.	.	I	π-helix	trans	-91.7	-28.7	-167.5	-61.9	-72.8	0	0	0	114.3	H89 V98 P100 F129	H89-Y93 HydrophobicContact CB-CD2 4.4Å; H89-Y93 AromaticContact CD2-CD2 3.58Å; H89-Y93 AromaticContact CD2-CE2 3.68Å; H89-Y93 AromaticContact CE1-CD2 3.5Å; H89-Y93 AromaticContact CG-CD2 3.64Å; H89-Y93 AromaticContact ND1-CD2 3.6Å; H89-Y93 AromaticContact NE2-CD2 3.52Å; H89-Y93 AromaticContact NE2-CE2 3.82Å; H89-Y93 WeakPolarHBondContact O-CB 3.35Å; H89-Y93 VanDerWaalsContact O-CD2 3.31Å; H89-Y93 WeakPolarHBondContact O-CD2 3.26Å; H89-Y93 PolarHBondContact O-N 3.22Å; Y93-V98 WeakPolarHBondContact CD1-O 3.18Å; Y93-P100 HydrophobicContact CE2-CG 4.28Å; Y93-P100 VanDerWaalsContact CZ-CD 3.42Å; Y93-P100 VanDerWaalsContact OH-CD 3.28Å; Y93-P100 WeakPolarHBondContact OH-CD 2.86Å; Y93-P100 WeakPolarHBondContact OH-CG 3.28Å; Y93-F129 HydrophobicContact CE2-CE1 4.4Å
94	N	97.3	Very high	98	Very high	77 Å²	77	47 Å²	47	41%	0.412	22%	0.216	S	C	.	.	I	π-helix	trans	-96.8	-49.9	-178.5	-64.5	100.9	0	0	0	112.1	H90 R97	H90-N94 WeakPolarHBondContact ND1-CB 3.31Å; H90-N94 PolarHBondContact ND1-OD1 3.35Å; H90-N94 WeakPolarHBondContact O-CA 3.49Å; H90-N94 VanDerWaalsContact O-CB 3.3Å; H90-N94 WeakPolarHBondContact O-CB 3.39Å; H90-N94 PolarHBondContact O-N 3.36Å; N94-R97 WeakPolarHBondContact O-CG 3.41Å
95	E	98.2	Very high	98.1	Very high	74 Å²	74	47 Å²	47	35%	0.346	22%	0.216	S	C	.	.	I	π-helix	trans	-81	-57	-174.1	-65	-58.3	127.6	0	0	111.5	A31 F33 H90 S91	A31-E95 HydrophobicContact CB-CB 3.58Å; A31-E95 HydrophobicContact CB-CG 4.06Å; F33-E95 HydrophobicContact CD1-CG 3.83Å; F33-E95 HydrophobicContact CE1-CG 3.89Å; H90-E95 IonicContact CE1-OE1 3.08Å; H90-E95 PolarHBondContact CE1-OE1 2.9Å; H90-E95 IonicContact NE2-OE1 2.72Å; H90-E95 PolarHBondContact NE2-OE1 3.13Å; H90-E95 PolarHBondContact O-N 3.25Å; S91-E95 WeakPolarHBondContact O-CB 3.34Å
96	L	97.9	Very high	98.1	Very high	16 Å²	16	44.8 Å²	44.8	8%	0.084	21%	0.206	C	C	.	.	I	π-helix	trans	-82.9	-25.2	179.9	-61.5	-178.9	0	0	0	113.5	L10 A21 F23 R30 S91 F92 V98	L10-L96 HydrophobicContact CD1-CD1 4.27Å; L10-L96 HydrophobicContact CD2-CD1 3.99Å; A21-L96 HydrophobicContact CB-CD1 3.95Å; A21-L96 HydrophobicContact CB-CD2 4.38Å; A21-L96 HydrophobicContact CB-CG 4.2Å; F23-L96 HydrophobicContact CE2-CD2 4.17Å; R30-L96 HydrophobicContact CB-CD2 3.78Å; S91-L96 WeakPolarHBondContact O-CB 3.43Å; S91-L96 VanDerWaalsContact O-CG 3.28Å; S91-L96 WeakPolarHBondContact O-CG 3.33Å; S91-L96 PolarHBondContact O-N 2.94Å; F92-L96 CarbonylContact O-C 3.53Å; L96-V98 HydrophobicContact CB-CG2 3.91Å
97	R	98	Very high	98.1	Very high	210 Å²	210	41.8 Å²	41.8	79%	0.792	19%	0.192	S	C	*	.			trans	56.4	46.5	-178.6	-53.4	-179.7	-175.8	179.3	1.9	113.1	F92 N94	F92-R97 WeakPolarHBondContact O-CA 3.28Å; F92-R97 PolarHBondContact O-N 2.83Å; N94-R97 WeakPolarHBondContact O-CG 3.41Å
98	V	97.8	Very high	98.1	Very high	24 Å²	24	41.9 Å²	41.9	15%	0.145	19%	0.193	C	C	.	.			trans	-123.7	161.4	178.4	-65.1	0	0	0	0	111.8	L10 F23 F92 Y93 L96	L10-V98 HydrophobicContact CD1-CG2 3.83Å; L10-V98 HydrophobicContact CD2-CG2 4.46Å; F23-V98 HydrophobicContact CE1-CG1 4.12Å; F23-V98 HydrophobicContact CZ-CG1 3.57Å; F92-V98 PolarHBondContact O-N 2.98Å; Y93-V98 WeakPolarHBondContact CD1-O 3.18Å; L96-V98 HydrophobicContact CB-CG2 3.91Å
99	A	97.7	Very high	98	Very high	23 Å²	23	42.5 Å²	42.5	19%	0.19	20%	0.196	C	C	.	.			trans	-89.7	111.6	169.3	0	0	0	0	0	108.8	E101 E102 H103	A99-E101 HydrophobicContact CB-CG 4.21Å; A99-E101 PolarHBondContact O-N 2.78Å; A99-E101 VanDerWaalsContact O-N 3.17Å; A99-E102 HydrophobicContact CB-CG 4.13Å; A99-E102 WeakPolarHBondContact O-CB 3.46Å; A99-E102 PolarHBondContact O-N 3.32Å; A99-H103 PolarHBondContact O-CD2 2.93Å
100	P	97.6	Very high	97.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-60.3	-25.2	-176.3	24.4	-33.6	0	0	0	113.7	F92 Y93 E102 H103 F129 V131	F92-P100 HydrophobicContact CB-CB 4.42Å; F92-P100 HydrophobicContact CB-CG 4.32Å; F92-P100 HydrophobicContact CD1-CB 4.43Å; F92-P100 HydrophobicContact CD2-CB 3.77Å; F92-P100 HydrophobicContact CD2-CG 3.92Å; F92-P100 HydrophobicContact CE2-CB 4.07Å; F92-P100 HydrophobicContact CG-CB 3.97Å; F92-P100 HydrophobicContact CG-CG 4.25Å; Y93-P100 HydrophobicContact CE2-CG 4.28Å; Y93-P100 VanDerWaalsContact CZ-CD 3.42Å; Y93-P100 VanDerWaalsContact OH-CD 3.28Å; Y93-P100 WeakPolarHBondContact OH-CD 2.86Å; Y93-P100 WeakPolarHBondContact OH-CG 3.28Å; P100-E102 PolarHBondContact O-N 2.61Å; P100-H103 PolarHBondContact O-N 3.14Å; P100-H103 VanDerWaalsContact O-N 3.11Å; P100-H103 VanDerWaalsContact O-O 3.14Å; P100-F129 HydrophobicContact CB-CB 4.18Å; P100-F129 HydrophobicContact CG-CB 4.06Å; P100-F129 HydrophobicContact CG-CD1 3.93Å; P100-F129 HydrophobicContact CG-CG 4.43Å; P100-V131 HydrophobicContact CB-CG1 4.18Å
101	E	97.8	Very high	97.7	Very high	93 Å²	93	37.5 Å²	37.5	44%	0.435	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-63.3	-15	173.5	60.7	-95	-138.8	0	0	114.2	A99 N130 P132	A99-E101 HydrophobicContact CB-CG 4.21Å; A99-E101 PolarHBondContact O-N 2.78Å; A99-E101 VanDerWaalsContact O-N 3.17Å; E101-N130 WeakPolarHBondContact CA-O 3.26Å; E101-N130 HydrophobicContact CB-CB 4.19Å; E101-P132 WeakPolarHBondContact O-CD 3.39Å
102	E	97.3	Very high	97.5	Very high	124 Å²	124	42.2 Å²	42.2	58%	0.579	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-95.3	-2.2	176.9	-61.6	179.6	176.1	0	0	112.7	S7 A99 P100	S7-E102 WeakPolarHBondContact CB-O 3.46Å; S7-E102 PolarHBondContact OG-O 2.97Å; A99-E102 HydrophobicContact CB-CG 4.13Å; A99-E102 WeakPolarHBondContact O-CB 3.46Å; A99-E102 PolarHBondContact O-N 3.32Å; P100-E102 PolarHBondContact O-N 2.61Å
103	H	97.5	Very high	97.3	Very high	24 Å²	24	43.2 Å²	43.2	11%	0.111	20%	0.203	C	C	.	.	S	Bend	trans	-138.3	126.7	-170.7	-61.8	-85.1	0	0	0	114.4	T8 L10 F23 A99 P100 T105 P132	T8-H103 PolarHBondContact O-ND1 3.43Å; L10-H103 HydrophobicContact CD1-CB 3.93Å; L10-H103 HydrophobicContact CD2-CB 4.47Å; L10-H103 HydrophobicContact CG-CB 3.72Å; F23-H103 AromaticContact CE1-CE1 3.94Å; A99-H103 PolarHBondContact O-CD2 2.93Å; P100-H103 PolarHBondContact O-N 3.14Å; P100-H103 VanDerWaalsContact O-N 3.11Å; P100-H103 VanDerWaalsContact O-O 3.14Å; H103-T105 PolarHBondContact O-N 3.32Å; H103-T105 PolarHBondContact O-OG1 3.36Å; H103-P132 WeakPolarHBondContact O-CD 3.31Å
104	P	97.9	Very high	97.2	Very high	15 Å²	15	41.8 Å²	41.8	10%	0.097	21%	0.205	C	C	.	.			trans	-53.6	139.9	164	-25	34	0	0	0	110.7	S7 A9 L10 P132 A133 W358	S7-P104 VanDerWaalsContact OG-CD 3.25Å; S7-P104 WeakPolarHBondContact OG-CD 3.42Å; A9-P104 CarbonylContact C-O 3.56Å; A9-P104 WeakPolarHBondContact CA-O 3.11Å; A9-P104 HydrophobicContact CB-CB 4.07Å; L10-P104 PolarHBondContact N-O 3.22Å; P104-P132 HydrophobicContact CG-CG 4.34Å; P104-A133 CarbonylContact C-O 3.47Å; P104-A133 VanDerWaalsContact CA-O 3.25Å; P104-A133 WeakPolarHBondContact CA-O 3.44Å; P104-A133 HydrophobicContact CB-CB 4.05Å; P104-A133 HydrophobicContact CG-CB 4.36Å; P104-W358 HydrophobicContact CB-CD2 4.39Å; P104-W358 HydrophobicContact CB-CE3 4.45Å; P104-W358 HydrophobicContact CB-CH2 4.11Å; P104-W358 HydrophobicContact CB-CZ2 4.03Å; P104-W358 HydrophobicContact CB-CZ3 4.33Å
105	T	98.5	Very high	97.2	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	118.3	-174.9	-62.8	0	0	0	0	112.2	L10 F92 H103 L107 M125 A133 M134 Y135	L10-T105 HydrophobicContact CB-CG2 4.46Å; F92-T105 HydrophobicContact CE1-CG2 4.29Å; F92-T105 HydrophobicContact CZ-CG2 4.13Å; H103-T105 PolarHBondContact O-N 3.32Å; H103-T105 PolarHBondContact O-OG1 3.36Å; T105-L107 HydrophobicContact CG2-CG 4.28Å; T105-M125 HydrophobicContact CG2-SD 4.31Å; T105-A133 PolarHBondContact N-O 2.88Å; T105-M134 WeakPolarHBondContact O-CA 2.97Å; T105-M134 VanDerWaalsContact O-CB 3.24Å; T105-M134 WeakPolarHBondContact O-CB 3.48Å; T105-Y135 PolarHBondContact O-N 2.96Å; T105-Y135 VanDerWaalsContact O-N 3.11Å
106	L	98.6	Very high	97.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	123.5	169.2	-172	151.3	0	0	0	109.7	L10 V11 C12 T108 Y135 A137 L142 L348 A349 F354 W358	L10-L106 PolarHBondContact O-N 3.46Å; V11-L106 WeakPolarHBondContact CA-O 3.5Å; V11-L106 HydrophobicContact CG1-CD2 4.15Å; V11-L106 HydrophobicContact CG2-CB 4.42Å; C12-L106 PolarHBondContact N-O 2.96Å; L106-T108 HydrophobicContact CD2-CG2 4.23Å; L106-Y135 WeakPolarHBondContact CA-O 3.3Å; L106-Y135 HydrophobicContact CD1-CD1 4.36Å; L106-A137 HydrophobicContact CD2-CB 4.31Å; L106-L142 HydrophobicContact CD2-CD1 4.06Å; L106-L348 HydrophobicContact CD1-CD2 4.22Å; L106-A349 HydrophobicContact CD1-CB 4.23Å; L106-F354 HydrophobicContact CD1-CE1 4.26Å; L106-F354 HydrophobicContact CD1-CZ 4.1Å; L106-W358 HydrophobicContact CB-CH2 3.86Å; L106-W358 HydrophobicContact CB-CZ3 4.15Å
107	L	98.6	Very high	97.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	147.6	173.8	-70.2	153.8	0	0	0	110.2	C12 N14 W88 T105 M125 M134 Y135 V136 A137	C12-L107 HydrophobicContact CB-CD2 3.76Å; N14-L107 WeakPolarHBondContact ND2-CD2 3.23Å; W88-L107 HydrophobicContact CZ2-CD2 4Å; T105-L107 HydrophobicContact CG2-CG 4.28Å; L107-M125 HydrophobicContact CD1-CE 3.77Å; L107-M125 HydrophobicContact CD1-CG 3.49Å; L107-M125 VanDerWaalsContact CD1-CG 3.49Å; L107-M125 HydrophobicContact CD1-SD 3.88Å; L107-M125 HydrophobicContact CD2-CE 3.84Å; L107-M125 HydrophobicContact CG-CE 4.35Å; L107-M134 HydrophobicContact CD1-CE 4.02Å; L107-Y135 PolarHBondContact N-O 3.46Å; L107-V136 CarbonylContact O-C 3.44Å; L107-V136 VanDerWaalsContact O-CA 3.31Å; L107-V136 WeakPolarHBondContact O-CA 3.29Å; L107-A137 PolarHBondContact O-N 3.47Å
108	T	98.1	Very high	97.2	Very high	2 Å²	2	36 Å²	36	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	150.1	173.8	75.7	0	0	0	0	111.8	C12 D13 N14 L106 A137 Q139 L142 V341	C12-T108 PolarHBondContact O-N 3.28Å; C12-T108 VanDerWaalsContact O-N 3.09Å; D13-T108 VanDerWaalsContact CA-OG1 3.28Å; D13-T108 WeakPolarHBondContact CA-OG1 3.13Å; D13-T108 HydrophobicContact CB-CG2 4.06Å; D13-T108 PolarHBondContact OD1-OG1 2.91Å; D13-T108 VanDerWaalsContact OD1-OG1 3.1Å; N14-T108 PolarHBondContact N-OG1 3.35Å; N14-T108 PolarHBondContact ND2-O 3.34Å; N14-T108 VanDerWaalsContact ND2-O 3.15Å; L106-T108 HydrophobicContact CD2-CG2 4.23Å; T108-A137 CarbonylContact C-O 3.57Å; T108-A137 VanDerWaalsContact CA-O 3.27Å; T108-A137 WeakPolarHBondContact CA-O 3.4Å; T108-Q139 PolarHBondContact OG1-NE2 3.17Å; T108-L142 HydrophobicContact CG2-CD1 3.61Å; T108-V341 HydrophobicContact CG2-CG1 3.76Å
109	E	97.1	Very high	97.3	Very high	13 Å²	13	38.1 Å²	38.1	6%	0.061	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	149.6	172.2	68.2	-177.1	176.3	0	0	112.1	N113 R118 M121 V136 A137 I138 Q139	E109-N113 HydrophobicContact CB-CB 4.23Å; E109-N113 HydrophobicContact CG-CB 4.38Å; E109-N113 WeakPolarHBondContact OE2-CB 3.37Å; E109-N113 PolarHBondContact OE2-ND2 2.95Å; E109-R118 IonicContact OE1-CZ 2.87Å; E109-R118 VanDerWaalsContact OE1-CZ 3.24Å; E109-R118 IonicContact OE1-NE 3.28Å; E109-R118 PolarHBondContact OE1-NE 3.5Å; E109-R118 IonicContact OE1-NH2 3.7Å; E109-R118 PolarHBondContact OE1-NH2 2.83Å; E109-R118 WeakPolarHBondContact OE2-CG 3.34Å; E109-R118 IonicContact OE2-NE 2.86Å; E109-R118 PolarHBondContact OE2-NE 2.8Å; E109-M121 HydrophobicContact CB-CE 4.34Å; E109-V136 HydrophobicContact CB-CG1 3.92Å; E109-V136 HydrophobicContact CG-CG1 3.65Å; E109-V136 WeakPolarHBondContact OE2-CG1 3.22Å; E109-A137 PolarHBondContact N-O 3.36Å; E109-I138 HydrophobicContact CG-CG1 4.42Å; E109-I138 WeakPolarHBondContact O-CA 3.23Å; E109-Q139 WeakPolarHBondContact O-CG 3.35Å; E109-Q139 PolarHBondContact O-N 2.86Å
110	A	95.7	Very high	97.3	Very high	2 Å²	2	40 Å²	40	2%	0.017	21%	0.205	C	C	.	.			trans	-64.6	151	166.2	0	0	0	0	0	110.1	N113	A110-N113 WeakPolarHBondContact O-CB 3.21Å; A110-N113 PolarHBondContact O-N 2.86Å
111	P	95.3	Very high	97.3	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	152.6	171.7	28.4	-37	0	0	0	111.1	N113 I138 H163 V165 I177	P111-N113 PolarHBondContact O-N 2.88Å; P111-I138 HydrophobicContact CB-CG2 4.19Å; P111-H163 HydrophobicContact CG-CB 3.86Å; P111-H163 VanDerWaalsContact CG-CD2 3.45Å; P111-H163 WeakPolarHBondContact CG-CD2 3.41Å; P111-H163 VanDerWaalsContact CG-CG 3.45Å; P111-V165 HydrophobicContact CB-CG2 4.09Å; P111-V165 HydrophobicContact CG-CG2 3.76Å; P111-I177 HydrophobicContact CB-CD1 3.79Å; P111-I177 HydrophobicContact CB-CG2 4.16Å; P111-I177 HydrophobicContact CG-CG2 4.28Å
112	L	93.4	Very high	97.3	Very high	98 Å²	98	35.7 Å²	35.7	51%	0.513	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	25	-179.3	-47.6	174.5	0	0	0	114.1	I177	L112-I177 HydrophobicContact CD1-CB 4.45Å; L112-I177 HydrophobicContact CD1-CG2 4.07Å; L112-I177 HydrophobicContact CD2-CD1 4.24Å; L112-I177 HydrophobicContact CG-CD1 4.44Å; L112-I177 HydrophobicContact CG-CG2 4.3Å
113	N	95.4	Very high	97.4	Very high	21 Å²	21	32.5 Å²	32.5	11%	0.112	17%	0.17	C	C	.	.			trans	-59.2	131.5	174.3	-167.3	23.1	0	0	0	111	E109 A110 P111 K115 N117 M121	E109-N113 HydrophobicContact CB-CB 4.23Å; E109-N113 HydrophobicContact CG-CB 4.38Å; E109-N113 WeakPolarHBondContact OE2-CB 3.37Å; E109-N113 PolarHBondContact OE2-ND2 2.95Å; A110-N113 WeakPolarHBondContact O-CB 3.21Å; A110-N113 PolarHBondContact O-N 2.86Å; P111-N113 PolarHBondContact O-N 2.88Å; N113-K115 PolarHBondContact O-N 2.85Å; N113-N117 WeakPolarHBondContact OD1-CB 3.27Å; N113-M121 VanDerWaalsContact ND2-CE 3.35Å; N113-M121 WeakPolarHBondContact ND2-CE 3.35Å
114	P	96.6	Very high	97.4	Very high	60 Å²	60	31.4 Å²	31.4	39%	0.39	17%	0.165	S	C	.	.			trans	-55.1	138.8	178.5	-28.7	35.9	0	0	0	112.5	A116 N117 R118	P114-A116 PolarHBondContact O-N 3.16Å; P114-N117 HydrophobicContact CB-CB 4.4Å; P114-N117 WeakPolarHBondContact O-CA 3.41Å; P114-N117 WeakPolarHBondContact O-CB 3.3Å; P114-N117 PolarHBondContact O-N 3.44Å; P114-R118 PolarHBondContact O-N 2.94Å
115	K	96.9	Very high	97.5	Very high	144 Å²	144	30.7 Å²	30.7	63%	0.626	16%	0.16	S	C	*	.	H	α-helix	trans	-54.7	-41	179.4	-74.1	-169.7	175.9	-174.9	0	112.9	N113 N117 R118 E119 H373	N113-K115 PolarHBondContact O-N 2.85Å; K115-N117 PolarHBondContact O-N 3.4Å; K115-R118 WeakPolarHBondContact O-CB 2.97Å; K115-R118 PolarHBondContact O-N 2.88Å; K115-R118 VanDerWaalsContact O-N 3.12Å; K115-E119 PolarHBondContact O-N 3.4Å; K115-H373 VanDerWaalsContact CB-CE1 3.46Å; K115-H373 WeakPolarHBondContact CB-CE1 3.4Å; K115-H373 PolarHBondContact O-CE1 3.17Å
116	A	97.9	Very high	97.5	Very high	65 Å²	65	30.7 Å²	30.7	54%	0.537	16%	0.16	S	C	.	.	H	α-helix	trans	-59.6	-34.2	176.2	0	0	0	0	0	112.4	P114 K120	P114-A116 PolarHBondContact O-N 3.16Å; A116-K120 WeakPolarHBondContact O-CB 3.46Å; A116-K120 PolarHBondContact O-N 3.43Å
117	N	98	Very high	97.5	Very high	22 Å²	22	35.5 Å²	35.5	12%	0.118	18%	0.183	C	C	.	.	H	α-helix	trans	-70.1	-40.1	176	-76.1	29.7	0	0	0	111.4	I77 I78 W81 N113 P114 K115 E119 K120 M121	I77-N117 WeakPolarHBondContact CG2-ND2 3.35Å; I78-N117 PolarHBondContact O-ND2 3.41Å; W81-N117 HydrophobicContact CH2-CB 4.09Å; W81-N117 VanDerWaalsContact CH2-O 3.3Å; W81-N117 WeakPolarHBondContact CH2-O 3.3Å; W81-N117 HydrophobicContact CZ2-CB 3.82Å; N113-N117 WeakPolarHBondContact OD1-CB 3.27Å; P114-N117 HydrophobicContact CB-CB 4.4Å; P114-N117 WeakPolarHBondContact O-CA 3.41Å; P114-N117 WeakPolarHBondContact O-CB 3.3Å; P114-N117 PolarHBondContact O-N 3.44Å; K115-N117 PolarHBondContact O-N 3.4Å; N117-E119 VanDerWaalsContact C-N 3.33Å; N117-E119 PolarHBondContact O-N 3Å; N117-K120 PolarHBondContact O-N 2.81Å; N117-M121 WeakPolarHBondContact O-CG 3.4Å; N117-M121 PolarHBondContact O-N 3.09Å
118	R	98	Very high	97.5	Very high	24 Å²	24	38.9 Å²	38.9	9%	0.091	20%	0.203	C	C	.	.	H	α-helix	trans	-60.2	-44.9	174.6	-49	-176.7	86.5	-154	12.2	111.3	E109 P114 K115 M121 T122 V372 C376	E109-R118 IonicContact OE1-CZ 2.87Å; E109-R118 VanDerWaalsContact OE1-CZ 3.24Å; E109-R118 IonicContact OE1-NE 3.28Å; E109-R118 PolarHBondContact OE1-NE 3.5Å; E109-R118 IonicContact OE1-NH2 3.7Å; E109-R118 PolarHBondContact OE1-NH2 2.83Å; E109-R118 WeakPolarHBondContact OE2-CG 3.34Å; E109-R118 IonicContact OE2-NE 2.86Å; E109-R118 PolarHBondContact OE2-NE 2.8Å; P114-R118 PolarHBondContact O-N 2.94Å; K115-R118 WeakPolarHBondContact O-CB 2.97Å; K115-R118 PolarHBondContact O-N 2.88Å; K115-R118 VanDerWaalsContact O-N 3.12Å; R118-M121 HydrophobicContact CB-CE 4.49Å; R118-M121 PolarHBondContact O-N 3.39Å; R118-T122 WeakPolarHBondContact O-CB 3.4Å; R118-T122 PolarHBondContact O-N 2.89Å; R118-T122 PolarHBondContact O-OG1 3.19Å; R118-V372 HydrophobicContact CB-CG1 3.71Å; R118-V372 HydrophobicContact CB-CG2 4.18Å; R118-C376 VanDerWaalsContact CZ-O 3.29Å; R118-C376 PolarHBondContact NH1-O 2.97Å; R118-C376 PolarHBondContact NH2-O 2.92Å
119	E	98.5	Very high	97.5	Very high	69 Å²	69	39 Å²	39	32%	0.322	20%	0.204	S	C	.	.	H	α-helix	trans	-61.7	-43.9	175.5	-72.1	174.7	-155.1	0	0	111.2	K115 N117 T122 Q123 P369 V372 H373	K115-E119 PolarHBondContact O-N 3.4Å; N117-E119 VanDerWaalsContact C-N 3.33Å; N117-E119 PolarHBondContact O-N 3Å; E119-T122 WeakPolarHBondContact O-CB 3.48Å; E119-T122 PolarHBondContact O-N 2.62Å; E119-T122 VanDerWaalsContact O-N 3.16Å; E119-Q123 WeakPolarHBondContact O-CB 3.42Å; E119-Q123 PolarHBondContact O-N 3.27Å; E119-P369 HydrophobicContact CB-CB 3.73Å; E119-P369 HydrophobicContact CG-CB 4.05Å; E119-V372 HydrophobicContact CG-CG1 4.4Å; E119-H373 WeakPolarHBondContact CG-NE2 3.47Å; E119-H373 IonicContact OE1-CD2 2.79Å; E119-H373 PolarHBondContact OE1-CD2 3.18Å; E119-H373 IonicContact OE1-CE1 2.74Å; E119-H373 IonicContact OE1-NE2 3.44Å; E119-H373 PolarHBondContact OE1-NE2 3.22Å
120	K	98.5	Very high	97.5	Very high	63 Å²	63	42.8 Å²	42.8	27%	0.274	22%	0.224	S	C	.	.	H	α-helix	trans	-68.3	-38.2	-179.3	-170.1	61.2	-177.2	172.7	0	113.2	W81 A116 N117 T122 Q123 I124	W81-K120 HydrophobicContact CD2-CB 4.17Å; W81-K120 HydrophobicContact CD2-CG 3.38Å; W81-K120 VanDerWaalsContact CE2-CG 3.47Å; W81-K120 HydrophobicContact CE3-CB 4.29Å; W81-K120 HydrophobicContact CE3-CG 3.63Å; W81-K120 HydrophobicContact CG-CG 3.87Å; W81-K120 HydrophobicContact CH2-CB 3.78Å; W81-K120 HydrophobicContact CH2-CG 4.04Å; W81-K120 HydrophobicContact CZ2-CB 3.66Å; W81-K120 HydrophobicContact CZ2-CG 3.84Å; W81-K120 HydrophobicContact CZ3-CB 4.08Å; W81-K120 HydrophobicContact CZ3-CG 3.92Å; A116-K120 WeakPolarHBondContact O-CB 3.46Å; A116-K120 PolarHBondContact O-N 3.43Å; N117-K120 PolarHBondContact O-N 2.81Å; K120-T122 VanDerWaalsContact C-N 3.28Å; K120-T122 PolarHBondContact O-N 3.31Å; K120-Q123 PolarHBondContact O-N 3.27Å; K120-I124 HydrophobicContact CD-CD1 4.34Å; K120-I124 HydrophobicContact CD-CG1 4.5Å; K120-I124 HydrophobicContact CG-CD1 4.04Å; K120-I124 VanDerWaalsContact O-CG1 3.32Å; K120-I124 WeakPolarHBondContact O-CG1 3.37Å; K120-I124 PolarHBondContact O-N 3.44Å
121	M	97.9	Very high	97.7	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-56.9	-46.4	169.3	-69.7	-170.1	-70.7	0	0	110.7	I78 W81 W88 E109 N113 N117 R118 I124 M125 V136	I78-M121 HydrophobicContact CD1-CG 4.14Å; I78-M121 HydrophobicContact CD1-SD 4.13Å; W81-M121 HydrophobicContact CH2-CG 3.7Å; W81-M121 HydrophobicContact CZ3-CG 3.72Å; W88-M121 HydrophobicContact CH2-CB 4.48Å; W88-M121 HydrophobicContact CH2-CG 3.98Å; W88-M121 HydrophobicContact CZ2-CG 4.44Å; E109-M121 HydrophobicContact CB-CE 4.34Å; N113-M121 VanDerWaalsContact ND2-CE 3.35Å; N113-M121 WeakPolarHBondContact ND2-CE 3.35Å; N117-M121 WeakPolarHBondContact O-CG 3.4Å; N117-M121 PolarHBondContact O-N 3.09Å; R118-M121 HydrophobicContact CB-CE 4.49Å; R118-M121 PolarHBondContact O-N 3.39Å; M121-I124 PolarHBondContact O-N 3.46Å; M121-M125 VanDerWaalsContact O-CG 3.31Å; M121-M125 WeakPolarHBondContact O-CG 3.35Å; M121-M125 PolarHBondContact O-N 2.83Å; M121-V136 HydrophobicContact CE-CG1 3.76Å; M121-V136 HydrophobicContact CE-CG2 4.24Å
122	T	98.3	Very high	97.8	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62	-47.4	-178.8	-53.8	0	0	0	0	111.6	R118 E119 K120 I124 M125 F126 M134 Y364 I371 V372	R118-T122 WeakPolarHBondContact O-CB 3.4Å; R118-T122 PolarHBondContact O-N 2.89Å; R118-T122 PolarHBondContact O-OG1 3.19Å; E119-T122 WeakPolarHBondContact O-CB 3.48Å; E119-T122 PolarHBondContact O-N 2.62Å; E119-T122 VanDerWaalsContact O-N 3.16Å; K120-T122 VanDerWaalsContact C-N 3.28Å; K120-T122 PolarHBondContact O-N 3.31Å; T122-I124 PolarHBondContact O-N 2.97Å; T122-M125 PolarHBondContact O-N 3.43Å; T122-F126 HydrophobicContact CG2-CD2 3.83Å; T122-F126 HydrophobicContact CG2-CE2 3.89Å; T122-F126 WeakPolarHBondContact O-CD2 3.29Å; T122-F126 PolarHBondContact O-N 2.88Å; T122-M134 VanDerWaalsContact CA-SD 3.58Å; T122-M134 HydrophobicContact CG2-SD 3.99Å; T122-Y364 HydrophobicContact CG2-CD2 3.79Å; T122-Y364 HydrophobicContact CG2-CE2 3.99Å; T122-I371 HydrophobicContact CG2-CG2 4.33Å; T122-V372 WeakPolarHBondContact OG1-CB 3.25Å
123	Q	98.5	Very high	98	Very high	57 Å²	57	40.9 Å²	40.9	27%	0.266	22%	0.219	S	C	.	.	H	α-helix	trans	-57.2	-51.4	176.7	-171.8	-171.6	0.1	0	0	111.5	E119 K120 M125 F126 E127 P369	E119-Q123 WeakPolarHBondContact O-CB 3.42Å; E119-Q123 PolarHBondContact O-N 3.27Å; K120-Q123 PolarHBondContact O-N 3.27Å; Q123-M125 PolarHBondContact O-N 3.04Å; Q123-F126 PolarHBondContact O-N 2.84Å; Q123-E127 HydrophobicContact CG-CG 4.11Å; Q123-E127 WeakPolarHBondContact CG-OE2 3.37Å; Q123-E127 PolarHBondContact NE2-OE2 3.33Å; Q123-E127 VanDerWaalsContact O-CB 3.22Å; Q123-E127 WeakPolarHBondContact O-CB 3.12Å; Q123-E127 WeakPolarHBondContact O-CG 3.25Å; Q123-E127 PolarHBondContact O-N 2.93Å; Q123-P369 HydrophobicContact CB-CG 4.19Å
124	I	98.6	Very high	98.1	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-61.8	-44.3	-176.5	-71.7	166	0	0	0	111.3	W81 E85 W88 K120 M121 T122 F126 T128 F129	W81-I124 HydrophobicContact CB-CD1 4.41Å; W81-I124 HydrophobicContact CD2-CD1 4.24Å; W81-I124 HydrophobicContact CE3-CD1 3.44Å; W81-I124 VanDerWaalsContact CE3-CD1 3.44Å; W81-I124 HydrophobicContact CZ3-CD1 4.08Å; E85-I124 HydrophobicContact CG-CD1 3.86Å; E85-I124 HydrophobicContact CG-CG1 4.23Å; E85-I124 HydrophobicContact CG-CG2 3.68Å; E85-I124 WeakPolarHBondContact OE1-CD1 3.36Å; W88-I124 HydrophobicContact CE3-CG2 3.88Å; W88-I124 HydrophobicContact CZ3-CB 4.24Å; W88-I124 HydrophobicContact CZ3-CD1 3.99Å; W88-I124 HydrophobicContact CZ3-CG2 3.75Å; K120-I124 HydrophobicContact CD-CD1 4.34Å; K120-I124 HydrophobicContact CD-CG1 4.5Å; K120-I124 HydrophobicContact CG-CD1 4.04Å; K120-I124 VanDerWaalsContact O-CG1 3.32Å; K120-I124 WeakPolarHBondContact O-CG1 3.37Å; K120-I124 PolarHBondContact O-N 3.44Å; M121-I124 PolarHBondContact O-N 3.46Å; T122-I124 PolarHBondContact O-N 2.97Å; I124-F126 VanDerWaalsContact C-N 3.35Å; I124-F126 PolarHBondContact O-N 3.41Å; I124-T128 WeakPolarHBondContact O-CA 3.12Å; I124-T128 WeakPolarHBondContact O-CB 3.38Å; I124-T128 PolarHBondContact O-N 3.48Å; I124-F129 HydrophobicContact CG2-CD2 3.8Å; I124-F129 HydrophobicContact CG2-CE2 3.63Å; I124-F129 PolarHBondContact O-N 3.34Å; I124-F129 VanDerWaalsContact O-N 3.11Å
125	M	98.6	Very high	98.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.3	-42.8	-179.1	-72.4	-67.7	146.9	0	0	112.2	W88 F92 T105 L107 M121 T122 Q123 F129 N130 V131 M134	W88-M125 HydrophobicContact CB-CE 4.23Å; W88-M125 HydrophobicContact CD2-CE 3.31Å; W88-M125 HydrophobicContact CE3-CE 3.5Å; W88-M125 HydrophobicContact CG-CE 3.67Å; W88-M125 HydrophobicContact CH2-CE 4.23Å; W88-M125 HydrophobicContact CZ2-CE 4.09Å; W88-M125 HydrophobicContact CZ3-CE 3.96Å; F92-M125 HydrophobicContact CE2-CE 4.34Å; F92-M125 HydrophobicContact CE2-SD 4.41Å; F92-M125 HydrophobicContact CZ-CE 4.24Å; F92-M125 HydrophobicContact CZ-SD 4.22Å; T105-M125 HydrophobicContact CG2-SD 4.31Å; L107-M125 HydrophobicContact CD1-CE 3.77Å; L107-M125 HydrophobicContact CD1-CG 3.49Å; L107-M125 VanDerWaalsContact CD1-CG 3.49Å; L107-M125 HydrophobicContact CD1-SD 3.88Å; L107-M125 HydrophobicContact CD2-CE 3.84Å; L107-M125 HydrophobicContact CG-CE 4.35Å; M121-M125 VanDerWaalsContact O-CG 3.31Å; M121-M125 WeakPolarHBondContact O-CG 3.35Å; M121-M125 PolarHBondContact O-N 2.83Å; T122-M125 PolarHBondContact O-N 3.43Å; Q123-M125 PolarHBondContact O-N 3.04Å; M125-F129 HydrophobicContact CE-CD2 4.13Å; M125-F129 HydrophobicContact CE-CE2 4.36Å; M125-F129 CarbonylContact O-C 3.37Å; M125-F129 HydrophobicContact SD-CD2 4.19Å; M125-N130 PolarHBondContact O-N 3.04Å; M125-V131 HydrophobicContact CB-CG2 3.82Å; M125-V131 PolarHBondContact O-N 3.2Å; M125-V131 HydrophobicContact SD-CG1 4.28Å; M125-M134 HydrophobicContact CB-SD 3.56Å; M125-M134 VanDerWaalsContact CB-SD 3.56Å; M125-M134 HydrophobicContact CG-SD 3.99Å
126	F	98.6	Very high	98.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-83.8	-32.4	-178.9	-76.3	-59	0	0	0	114.9	T122 Q123 I124 N130 V131 M134 I359 K361 Y364	T122-F126 HydrophobicContact CG2-CD2 3.83Å; T122-F126 HydrophobicContact CG2-CE2 3.89Å; T122-F126 WeakPolarHBondContact O-CD2 3.29Å; T122-F126 PolarHBondContact O-N 2.88Å; Q123-F126 PolarHBondContact O-N 2.84Å; I124-F126 VanDerWaalsContact C-N 3.35Å; I124-F126 PolarHBondContact O-N 3.41Å; F126-N130 PolarHBondContact O-OD1 2.84Å; F126-V131 HydrophobicContact CD1-CG2 4.02Å; F126-V131 VanDerWaalsContact CD1-O 3.24Å; F126-V131 WeakPolarHBondContact CD1-O 3.23Å; F126-V131 HydrophobicContact CE1-CG2 4.12Å; F126-V131 WeakPolarHBondContact CE1-O 3.29Å; F126-M134 HydrophobicContact CD2-CG 4.24Å; F126-M134 HydrophobicContact CD2-SD 4.09Å; F126-M134 HydrophobicContact CE1-CG 4.42Å; F126-M134 HydrophobicContact CE2-CG 3.48Å; F126-M134 VanDerWaalsContact CE2-CG 3.48Å; F126-M134 HydrophobicContact CE2-SD 3.84Å; F126-M134 HydrophobicContact CZ-CG 3.61Å; F126-M134 HydrophobicContact CZ-SD 4.5Å; F126-I359 HydrophobicContact CE2-CB 4.48Å; F126-I359 HydrophobicContact CE2-CG2 3.83Å; F126-I359 HydrophobicContact CZ-CB 4.33Å; F126-I359 HydrophobicContact CZ-CG2 3.87Å; F126-I359 WeakPolarHBondContact CZ-O 3.48Å; F126-K361 HydrophobicContact CB-CD 4.25Å; F126-K361 HydrophobicContact CD1-CB 4.23Å; F126-K361 HydrophobicContact CD1-CD 3.55Å; F126-K361 HydrophobicContact CE1-CB 4.05Å; F126-K361 HydrophobicContact CE1-CD 4.23Å; F126-K361 HydrophobicContact CG-CD 4.21Å; F126-K361 PolarHBondContact O-NZ 3.36Å; F126-Y364 HydrophobicContact CB-CD1 3.64Å; F126-Y364 HydrophobicContact CB-CD2 4.29Å; F126-Y364 HydrophobicContact CB-CE1 3.73Å; F126-Y364 HydrophobicContact CB-CE2 4.34Å; F126-Y364 HydrophobicContact CB-CG 3.93Å; F126-Y364 HydrophobicContact CD1-CG 4.48Å; F126-Y364 AromaticContact CD2-CD1 3.97Å; F126-Y364 HydrophobicContact CD2-CD1 3.97Å; F126-Y364 AromaticContact CD2-CD2 3.33Å; F126-Y364 HydrophobicContact CD2-CD2 3.33Å; F126-Y364 AromaticContact CD2-CE2 3.97Å; F126-Y364 HydrophobicContact CD2-CE2 3.97Å; F126-Y364 AromaticContact CD2-CG 3.31Å; F126-Y364 HydrophobicContact CD2-CG 3.31Å; F126-Y364 AromaticContact CE2-CD2 3.88Å; F126-Y364 HydrophobicContact CE2-CD2 3.88Å; F126-Y364 AromaticContact CE2-CG 3.82Å; F126-Y364 HydrophobicContact CE2-CG 3.82Å; F126-Y364 AromaticContact CG-CD1 3.86Å; F126-Y364 HydrophobicContact CG-CD1 3.86Å; F126-Y364 HydrophobicContact CG-CD2 4.08Å; F126-Y364 HydrophobicContact CG-CE1 4.4Å; F126-Y364 AromaticContact CG-CG 3.68Å; F126-Y364 HydrophobicContact CG-CG 3.68Å
127	E	98.5	Very high	98.2	Very high	101 Å²	101	28.5 Å²	28.5	47%	0.472	15%	0.147	S	C	.	.	H	α-helix	trans	-95.8	-38.5	-175.1	-63.6	-177.3	-176.9	0	0	112.7	Q123 Y364	Q123-E127 HydrophobicContact CG-CG 4.11Å; Q123-E127 WeakPolarHBondContact CG-OE2 3.37Å; Q123-E127 PolarHBondContact NE2-OE2 3.33Å; Q123-E127 VanDerWaalsContact O-CB 3.22Å; Q123-E127 WeakPolarHBondContact O-CB 3.12Å; Q123-E127 WeakPolarHBondContact O-CG 3.25Å; Q123-E127 PolarHBondContact O-N 2.93Å; E127-Y364 VanDerWaalsContact CD-OH 3.31Å; E127-Y364 HydrophobicContact CG-CE1 4.11Å; E127-Y364 PolarHBondContact OE1-OH 3.01Å
128	T	98.4	Very high	98.2	Very high	70 Å²	70	28.2 Å²	28.2	43%	0.429	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-51	179.6	-54.3	0	0	0	0	110.9	I124	I124-T128 WeakPolarHBondContact O-CA 3.12Å; I124-T128 WeakPolarHBondContact O-CB 3.38Å; I124-T128 PolarHBondContact O-N 3.48Å
129	F	98.4	Very high	98.2	Very high	6 Å²	6	27.9 Å²	27.9	3%	0.026	15%	0.145	C	C	.	.	S	Bend	trans	-93.2	-7.3	-175.5	-65.3	-68.3	0	0	0	114.2	W88 H89 F92 Y93 P100 I124 M125 V131	W88-F129 HydrophobicContact CB-CE2 3.75Å; W88-F129 HydrophobicContact CB-CZ 3.7Å; W88-F129 HydrophobicContact CE3-CE2 4.08Å; H89-F129 HydrophobicContact CB-CE1 4.05Å; H89-F129 HydrophobicContact CB-CZ 4.2Å; F92-F129 AromaticContact CD2-CD1 3.79Å; F92-F129 HydrophobicContact CD2-CD1 3.79Å; F92-F129 AromaticContact CD2-CE1 3.9Å; F92-F129 HydrophobicContact CD2-CE1 3.9Å; F92-F129 HydrophobicContact CD2-CG 4.25Å; F92-F129 HydrophobicContact CD2-CZ 4.45Å; F92-F129 HydrophobicContact CE2-CB 4.49Å; F92-F129 AromaticContact CE2-CD1 3.93Å; F92-F129 HydrophobicContact CE2-CD1 3.93Å; F92-F129 HydrophobicContact CE2-CD2 4.14Å; F92-F129 HydrophobicContact CE2-CE1 4.16Å; F92-F129 HydrophobicContact CE2-CE2 4.36Å; F92-F129 AromaticContact CE2-CG 3.92Å; F92-F129 HydrophobicContact CE2-CG 3.92Å; F92-F129 HydrophobicContact CE2-CZ 4.37Å; Y93-F129 HydrophobicContact CE2-CE1 4.4Å; P100-F129 HydrophobicContact CB-CB 4.18Å; P100-F129 HydrophobicContact CG-CB 4.06Å; P100-F129 HydrophobicContact CG-CD1 3.93Å; P100-F129 HydrophobicContact CG-CG 4.43Å; I124-F129 HydrophobicContact CG2-CD2 3.8Å; I124-F129 HydrophobicContact CG2-CE2 3.63Å; I124-F129 PolarHBondContact O-N 3.34Å; I124-F129 VanDerWaalsContact O-N 3.11Å; M125-F129 HydrophobicContact CE-CD2 4.13Å; M125-F129 HydrophobicContact CE-CE2 4.36Å; M125-F129 CarbonylContact O-C 3.37Å; M125-F129 HydrophobicContact SD-CD2 4.19Å; F129-V131 HydrophobicContact CB-CG1 4.11Å; F129-V131 PolarHBondContact O-N 3.33Å; F129-V131 VanDerWaalsContact O-N 3.11Å
130	N	98.2	Very high	98.2	Very high	91 Å²	91	24.6 Å²	24.6	49%	0.487	13%	0.129	S	C	.	.			trans	50.3	34.2	178.5	-60.9	-67.4	0	0	0	114.3	E101 M125 F126	E101-N130 WeakPolarHBondContact CA-O 3.26Å; E101-N130 HydrophobicContact CB-CB 4.19Å; M125-N130 PolarHBondContact O-N 3.04Å; F126-N130 PolarHBondContact O-OD1 2.84Å
131	V	98.4	Very high	98.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.122	C	C	.	.			trans	-59.4	141	179.3	-56.2	0	0	0	0	110.1	P100 M125 F126 F129 A133 M134	P100-V131 HydrophobicContact CB-CG1 4.18Å; M125-V131 HydrophobicContact CB-CG2 3.82Å; M125-V131 PolarHBondContact O-N 3.2Å; M125-V131 HydrophobicContact SD-CG1 4.28Å; F126-V131 HydrophobicContact CD1-CG2 4.02Å; F126-V131 VanDerWaalsContact CD1-O 3.24Å; F126-V131 WeakPolarHBondContact CD1-O 3.23Å; F126-V131 HydrophobicContact CE1-CG2 4.12Å; F126-V131 WeakPolarHBondContact CE1-O 3.29Å; F129-V131 HydrophobicContact CB-CG1 4.11Å; F129-V131 PolarHBondContact O-N 3.33Å; F129-V131 VanDerWaalsContact O-N 3.11Å; V131-A133 VanDerWaalsContact C-N 3.27Å; V131-A133 PolarHBondContact O-N 3.06Å; V131-M134 HydrophobicContact CG2-CB 4.06Å
132	P	97.7	Very high	98.1	Very high	49 Å²	49	22.4 Å²	22.4	32%	0.318	12%	0.121	S	C	.	.	S	Bend	trans	-69.7	-29.8	-178.4	27.3	-34.5	0	0	0	112	E101 H103 P104 K361	E101-P132 WeakPolarHBondContact O-CD 3.39Å; H103-P132 WeakPolarHBondContact O-CD 3.31Å; P104-P132 HydrophobicContact CG-CG 4.34Å; P132-K361 PolarHBondContact O-N 3.41Å
133	A	97.9	Very high	98.1	Very high	13 Å²	13	22.4 Å²	22.4	11%	0.107	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	155.3	178.4	0	0	0	0	0	110.9	P104 T105 V131 W358 I359	P104-A133 CarbonylContact C-O 3.47Å; P104-A133 VanDerWaalsContact CA-O 3.25Å; P104-A133 WeakPolarHBondContact CA-O 3.44Å; P104-A133 HydrophobicContact CB-CB 4.05Å; P104-A133 HydrophobicContact CG-CB 4.36Å; T105-A133 PolarHBondContact N-O 2.88Å; V131-A133 VanDerWaalsContact C-N 3.27Å; V131-A133 PolarHBondContact O-N 3.06Å; A133-W358 HydrophobicContact CB-CB 4.08Å; A133-W358 HydrophobicContact CB-CG 4.34Å; A133-I359 CarbonylContact C-O 3.34Å; A133-I359 WeakPolarHBondContact CA-O 3.39Å; A133-I359 WeakPolarHBondContact CB-O 3.42Å
134	M	98	Very high	98.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	163.8	173.3	65.9	162.2	-74.9	0	0	113.9	T105 L107 T122 M125 F126 V131 V136 I359	T105-M134 WeakPolarHBondContact O-CA 2.97Å; T105-M134 VanDerWaalsContact O-CB 3.24Å; T105-M134 WeakPolarHBondContact O-CB 3.48Å; L107-M134 HydrophobicContact CD1-CE 4.02Å; T122-M134 VanDerWaalsContact CA-SD 3.58Å; T122-M134 HydrophobicContact CG2-SD 3.99Å; M125-M134 HydrophobicContact CB-SD 3.56Å; M125-M134 VanDerWaalsContact CB-SD 3.56Å; M125-M134 HydrophobicContact CG-SD 3.99Å; F126-M134 HydrophobicContact CD2-CG 4.24Å; F126-M134 HydrophobicContact CD2-SD 4.09Å; F126-M134 HydrophobicContact CE1-CG 4.42Å; F126-M134 HydrophobicContact CE2-CG 3.48Å; F126-M134 VanDerWaalsContact CE2-CG 3.48Å; F126-M134 HydrophobicContact CE2-SD 3.84Å; F126-M134 HydrophobicContact CZ-CG 3.61Å; F126-M134 HydrophobicContact CZ-SD 4.5Å; V131-M134 HydrophobicContact CG2-CB 4.06Å; M134-V136 HydrophobicContact CE-CG2 3.47Å; M134-V136 VanDerWaalsContact CE-CG2 3.47Å; M134-I359 PolarHBondContact N-O 3.29Å; M134-I359 WeakPolarHBondContact O-CB 3.47Å; M134-I359 PolarHBondContact O-N 2.91Å
135	Y	98.2	Very high	97.9	Very high	20 Å²	20	23 Å²	23	8%	0.078	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	148.3	174.4	-168	-94.7	0	0	0	109.8	T105 L106 L107 A137 F354 M357 K375 C376	T105-Y135 PolarHBondContact O-N 2.96Å; T105-Y135 VanDerWaalsContact O-N 3.11Å; L106-Y135 WeakPolarHBondContact CA-O 3.3Å; L106-Y135 HydrophobicContact CD1-CD1 4.36Å; L107-Y135 PolarHBondContact N-O 3.46Å; Y135-A137 HydrophobicContact CD1-CB 4.04Å; Y135-A137 HydrophobicContact CE1-CB 3.9Å; Y135-F354 HydrophobicContact CD1-CE2 4.16Å; Y135-F354 AromaticContact CD1-CZ 3.61Å; Y135-F354 HydrophobicContact CD1-CZ 3.61Å; Y135-F354 HydrophobicContact CD2-CE2 4.32Å; Y135-F354 AromaticContact CD2-CZ 3.9Å; Y135-F354 HydrophobicContact CD2-CZ 3.9Å; Y135-F354 HydrophobicContact CE1-CE2 4.12Å; Y135-F354 HydrophobicContact CE1-CZ 4.06Å; Y135-F354 HydrophobicContact CE2-CE2 4.29Å; Y135-F354 HydrophobicContact CE2-CZ 4.32Å; Y135-F354 HydrophobicContact CG-CE1 4.44Å; Y135-F354 HydrophobicContact CG-CE2 4.26Å; Y135-F354 AromaticContact CG-CZ 3.53Å; Y135-F354 HydrophobicContact CG-CZ 3.53Å; Y135-M357 HydrophobicContact CD2-CB 4.4Å; Y135-M357 WeakPolarHBondContact CD2-O 3.46Å; Y135-M357 HydrophobicContact CE2-CB 4.11Å; Y135-M357 HydrophobicContact CE2-CE 4.4Å; Y135-K375 WeakPolarHBondContact CE2-O 3.4Å; Y135-C376 WeakPolarHBondContact CD2-SG 3.34Å; Y135-C376 HydrophobicContact CE2-CB 4.27Å; Y135-C376 VanDerWaalsContact CE2-SG 3.54Å
136	V	98.1	Very high	97.8	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125	173.5	-174.9	0	0	0	0	109	L107 E109 M121 M134 V372 C376	L107-V136 CarbonylContact O-C 3.44Å; L107-V136 VanDerWaalsContact O-CA 3.31Å; L107-V136 WeakPolarHBondContact O-CA 3.29Å; E109-V136 HydrophobicContact CB-CG1 3.92Å; E109-V136 HydrophobicContact CG-CG1 3.65Å; E109-V136 WeakPolarHBondContact OE2-CG1 3.22Å; M121-V136 HydrophobicContact CE-CG1 3.76Å; M121-V136 HydrophobicContact CE-CG2 4.24Å; M134-V136 HydrophobicContact CE-CG2 3.47Å; M134-V136 VanDerWaalsContact CE-CG2 3.47Å; V136-V372 HydrophobicContact CB-CG2 4.33Å; V136-V372 HydrophobicContact CG2-CG2 4Å; V136-C376 HydrophobicContact CB-CB 4.38Å; V136-C376 PolarHBondContact N-SG 3.13Å; V136-C376 VanDerWaalsContact O-CB 3.32Å; V136-C376 WeakPolarHBondContact O-CB 3.47Å
137	A	97.5	Very high	97.6	Very high	8 Å²	8	25.3 Å²	25.3	7%	0.066	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	143.8	-178.2	0	0	0	0	0	112.4	L106 L107 T108 E109 Y135 Q139 L142	L106-A137 HydrophobicContact CD2-CB 4.31Å; L107-A137 PolarHBondContact O-N 3.47Å; T108-A137 CarbonylContact C-O 3.57Å; T108-A137 VanDerWaalsContact CA-O 3.27Å; T108-A137 WeakPolarHBondContact CA-O 3.4Å; E109-A137 PolarHBondContact N-O 3.36Å; Y135-A137 HydrophobicContact CD1-CB 4.04Å; Y135-A137 HydrophobicContact CE1-CB 3.9Å; A137-Q139 PolarHBondContact O-N 2.69Å; A137-L142 HydrophobicContact CB-CD1 3.87Å; A137-L142 HydrophobicContact CB-CD2 3.75Å; A137-L142 HydrophobicContact CB-CG 3.86Å
138	I	97.4	Very high	97.5	Very high	17 Å²	17	24 Å²	24	9%	0.087	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	127.7	177.3	-60.6	173.3	0	0	0	109.6	E109 P111 A140 V141 L142 A172	E109-I138 HydrophobicContact CG-CG1 4.42Å; E109-I138 WeakPolarHBondContact O-CA 3.23Å; P111-I138 HydrophobicContact CB-CG2 4.19Å; I138-A140 VanDerWaalsContact C-N 3.29Å; I138-A140 HydrophobicContact CG2-CB 4.29Å; I138-A140 PolarHBondContact O-N 3.06Å; I138-V141 HydrophobicContact CB-CB 4.26Å; I138-V141 HydrophobicContact CB-CG2 3.9Å; I138-V141 HydrophobicContact CG2-CG2 4.21Å; I138-V141 WeakPolarHBondContact O-CB 3.32Å; I138-V141 PolarHBondContact O-N 3.41Å; I138-L142 PolarHBondContact O-N 2.98Å; I138-L142 VanDerWaalsContact O-N 3.12Å; I138-A172 HydrophobicContact CD1-CB 4.05Å
139	Q	98.2	Very high	97.3	Very high	16 Å²	16	23.6 Å²	23.6	8%	0.075	14%	0.143	C	C	.	.	H	α-helix	trans	-52.1	-44.7	-177.7	-72.1	175.4	-41.4	0	0	113.2	D13 N14 T108 E109 A137 L142 S143 V341	D13-Q139 PolarHBondContact OD1-NE2 3.17Å; N14-Q139 PolarHBondContact O-NE2 3.02Å; T108-Q139 PolarHBondContact OG1-NE2 3.17Å; E109-Q139 WeakPolarHBondContact O-CG 3.35Å; E109-Q139 PolarHBondContact O-N 2.86Å; A137-Q139 PolarHBondContact O-N 2.69Å; Q139-L142 PolarHBondContact O-N 3.45Å; Q139-S143 WeakPolarHBondContact O-CB 3.48Å; Q139-S143 PolarHBondContact O-N 3.46Å; Q139-S143 PolarHBondContact O-OG 3.15Å; Q139-V341 HydrophobicContact CB-CG1 3.94Å; Q139-V341 HydrophobicContact CB-CG2 3.88Å; Q139-V341 HydrophobicContact CG-CG1 3.76Å; Q139-V341 HydrophobicContact CG-CG2 4.38Å
140	A	97.9	Very high	97.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.8	-39.2	178	0	0	0	0	0	112.9	I138 S143 L144 V154 V165	I138-A140 VanDerWaalsContact C-N 3.29Å; I138-A140 HydrophobicContact CG2-CB 4.29Å; I138-A140 PolarHBondContact O-N 3.06Å; A140-S143 PolarHBondContact O-N 3.2Å; A140-L144 PolarHBondContact O-N 3.11Å; A140-V154 HydrophobicContact CB-CB 4.01Å; A140-V154 HydrophobicContact CB-CG1 4.06Å; A140-V154 WeakPolarHBondContact O-CG2 3.29Å; A140-V165 HydrophobicContact CB-CB 3.53Å; A140-V165 HydrophobicContact CB-CG1 3.97Å; A140-V165 HydrophobicContact CB-CG2 3.49Å; A140-V165 VanDerWaalsContact CB-CG2 3.49Å
141	V	97.5	Very high	97.2	Very high	19 Å²	19	23.3 Å²	23.3	12%	0.115	15%	0.145	C	C	.	.	H	α-helix	trans	-62.6	-48.3	177.4	176	0	0	0	0	110	I138 S143 L144 Y145 I167 A172	I138-V141 HydrophobicContact CB-CB 4.26Å; I138-V141 HydrophobicContact CB-CG2 3.9Å; I138-V141 HydrophobicContact CG2-CG2 4.21Å; I138-V141 WeakPolarHBondContact O-CB 3.32Å; I138-V141 PolarHBondContact O-N 3.41Å; V141-S143 VanDerWaalsContact C-N 3.29Å; V141-S143 PolarHBondContact O-N 3.08Å; V141-L144 WeakPolarHBondContact O-CB 3.4Å; V141-L144 PolarHBondContact O-N 3.35Å; V141-L144 VanDerWaalsContact O-N 3.15Å; V141-Y145 HydrophobicContact CG1-CD2 3.89Å; V141-Y145 HydrophobicContact CG1-CE2 3.89Å; V141-Y145 WeakPolarHBondContact O-CD2 3.34Å; V141-Y145 PolarHBondContact O-N 3.2Å; V141-I167 HydrophobicContact CB-CD1 4.45Å; V141-I167 HydrophobicContact CG2-CD1 4.02Å; V141-I167 HydrophobicContact CG2-CG1 4.12Å; V141-A172 HydrophobicContact CG2-CB 4.04Å
142	L	97.9	Very high	97.2	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-58.4	-42.3	175.5	-62	-178.3	0	0	0	112	L106 T108 A137 I138 Q139 L144 Y145 A146 V341 G344 L348	L106-L142 HydrophobicContact CD2-CD1 4.06Å; T108-L142 HydrophobicContact CG2-CD1 3.61Å; A137-L142 HydrophobicContact CB-CD1 3.87Å; A137-L142 HydrophobicContact CB-CD2 3.75Å; A137-L142 HydrophobicContact CB-CG 3.86Å; I138-L142 PolarHBondContact O-N 2.98Å; I138-L142 VanDerWaalsContact O-N 3.12Å; Q139-L142 PolarHBondContact O-N 3.45Å; L142-L144 VanDerWaalsContact C-N 3.3Å; L142-L144 PolarHBondContact O-N 2.97Å; L142-Y145 WeakPolarHBondContact O-CB 3.43Å; L142-Y145 PolarHBondContact O-N 3.19Å; L142-Y145 VanDerWaalsContact O-N 3.12Å; L142-A146 PolarHBondContact O-N 2.89Å; L142-V341 WeakPolarHBondContact CB-O 3.49Å; L142-V341 HydrophobicContact CD1-CG1 4.3Å; L142-G344 VanDerWaalsContact O-CA 3.27Å; L142-G344 WeakPolarHBondContact O-CA 3.27Å; L142-L348 HydrophobicContact CD2-CB 4.35Å; L142-L348 HydrophobicContact CD2-CD2 3.63Å
143	S	98.1	Very high	97.3	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.9	-35.8	178.4	-58.4	0	0	0	0	113.1	Q139 A140 V141 S147 S302 V341	Q139-S143 WeakPolarHBondContact O-CB 3.48Å; Q139-S143 PolarHBondContact O-N 3.46Å; Q139-S143 PolarHBondContact O-OG 3.15Å; A140-S143 PolarHBondContact O-N 3.2Å; V141-S143 VanDerWaalsContact C-N 3.29Å; V141-S143 PolarHBondContact O-N 3.08Å; S143-S147 PolarHBondContact O-N 2.88Å; S143-S302 PolarHBondContact OG-OG 3.09Å; S143-V341 WeakPolarHBondContact OG-CG2 3.43Å; S143-V341 PolarHBondContact OG-N 3.13Å
144	L	97.7	Very high	97.3	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-65.8	-44.5	172.8	-170.5	66.6	0	0	0	111	A140 V141 L142 A146 S147 R149 V154 I167 V300	A140-L144 PolarHBondContact O-N 3.11Å; V141-L144 WeakPolarHBondContact O-CB 3.4Å; V141-L144 PolarHBondContact O-N 3.35Å; V141-L144 VanDerWaalsContact O-N 3.15Å; L142-L144 VanDerWaalsContact C-N 3.3Å; L142-L144 PolarHBondContact O-N 2.97Å; L144-A146 VanDerWaalsContact C-N 3.34Å; L144-A146 PolarHBondContact O-N 3.02Å; L144-S147 WeakPolarHBondContact O-CA 3.38Å; L144-S147 WeakPolarHBondContact O-CB 3.21Å; L144-S147 PolarHBondContact O-N 2.84Å; L144-S147 PolarHBondContact O-OG 3.44Å; L144-R149 CarbonylContact C-O 3.59Å; L144-R149 HydrophobicContact CD1-CB 3.73Å; L144-R149 HydrophobicContact CG-CB 3.88Å; L144-R149 PolarHBondContact O-N 3Å; L144-V154 HydrophobicContact CB-CG2 3.8Å; L144-V154 HydrophobicContact CD1-CG2 4.13Å; L144-V154 HydrophobicContact CG-CG2 4.47Å; L144-I167 HydrophobicContact CB-CD1 3.92Å; L144-I167 HydrophobicContact CD2-CB 3.66Å; L144-I167 HydrophobicContact CD2-CD1 3.76Å; L144-I167 HydrophobicContact CD2-CG1 4.33Å; L144-I167 HydrophobicContact CD2-CG2 3.62Å; L144-I167 HydrophobicContact CG-CD1 4.44Å; L144-V300 HydrophobicContact CD1-CB 4.44Å; L144-V300 HydrophobicContact CD1-CG2 3.71Å
145	Y	94.2	Very high	97.3	Very high	71 Å²	71	20.6 Å²	20.6	28%	0.278	13%	0.126	S	C	.	.	H	α-helix	trans	-58.4	-42.9	175.9	-94.2	-84.3	0	0	0	112.3	V141 L142 S147 G148 T150	V141-Y145 HydrophobicContact CG1-CD2 3.89Å; V141-Y145 HydrophobicContact CG1-CE2 3.89Å; V141-Y145 WeakPolarHBondContact O-CD2 3.34Å; V141-Y145 PolarHBondContact O-N 3.2Å; L142-Y145 WeakPolarHBondContact O-CB 3.43Å; L142-Y145 PolarHBondContact O-N 3.19Å; L142-Y145 VanDerWaalsContact O-N 3.12Å; Y145-S147 PolarHBondContact O-N 3.02Å; Y145-S147 VanDerWaalsContact O-N 3.14Å; Y145-G148 WeakPolarHBondContact O-CA 3.3Å; Y145-G148 PolarHBondContact O-N 2.79Å; Y145-T150 HydrophobicContact CE1-CG2 4.43Å
146	A	96.6	Very high	97.3	Very high	25 Å²	25	20.1 Å²	20.1	21%	0.207	13%	0.125	C	C	.	.	H	α-helix	trans	-58.4	-27.1	175.5	0	0	0	0	0	112.9	L142 L144 G148 S340 I343	L142-A146 PolarHBondContact O-N 2.89Å; L144-A146 VanDerWaalsContact C-N 3.34Å; L144-A146 PolarHBondContact O-N 3.02Å; A146-G148 VanDerWaalsContact C-N 3.28Å; A146-G148 PolarHBondContact O-N 2.74Å; A146-S340 VanDerWaalsContact CB-O 3.27Å; A146-S340 WeakPolarHBondContact CB-O 3.08Å; A146-I343 HydrophobicContact CB-CB 4.19Å; A146-I343 HydrophobicContact CB-CG2 3.97Å
147	S	95.4	Very high	97.4	Very high	23 Å²	23	20.2 Å²	20.2	16%	0.161	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-1.4	175.4	86.3	0	0	0	0	114	S143 L144 Y145 R149	S143-S147 PolarHBondContact O-N 2.88Å; L144-S147 WeakPolarHBondContact O-CA 3.38Å; L144-S147 WeakPolarHBondContact O-CB 3.21Å; L144-S147 PolarHBondContact O-N 2.84Å; L144-S147 PolarHBondContact O-OG 3.44Å; Y145-S147 PolarHBondContact O-N 3.02Å; Y145-S147 VanDerWaalsContact O-N 3.14Å; S147-R149 PolarHBondContact O-NH1 2.78Å; S147-R149 PolarHBondContact OG-NH1 3.29Å; S147-R149 VanDerWaalsContact OG-NH1 3.16Å
148	G	94.8	Very high	97.4	Very high	73 Å²	73	21.1 Å²	21.1	75%	0.753	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.6	34.4	-175.4	0	0	0	0	0	113.4	Y145 A146	Y145-G148 WeakPolarHBondContact O-CA 3.3Å; Y145-G148 PolarHBondContact O-N 2.79Å; A146-G148 VanDerWaalsContact C-N 3.28Å; A146-G148 PolarHBondContact O-N 2.74Å
149	R	96	Very high	97.4	Very high	61 Å²	61	22 Å²	22	23%	0.23	14%	0.141	C	C	.	.			trans	-131.1	151.8	-176.7	-67.8	175.4	179.8	66	17.7	111.5	L144 S147 N298 I332	L144-R149 CarbonylContact C-O 3.59Å; L144-R149 HydrophobicContact CD1-CB 3.73Å; L144-R149 HydrophobicContact CG-CB 3.88Å; L144-R149 PolarHBondContact O-N 3Å; S147-R149 PolarHBondContact O-NH1 2.78Å; S147-R149 PolarHBondContact OG-NH1 3.29Å; S147-R149 VanDerWaalsContact OG-NH1 3.16Å; R149-N298 WeakPolarHBondContact CD-OD1 3.5Å; R149-N298 PolarHBondContact NE-OD1 2.91Å; R149-I332 VanDerWaalsContact CZ-CD1 3.48Å; R149-I332 VanDerWaalsContact NE-CD1 3.29Å
150	T	95.4	Very high	97.3	Very high	69 Å²	69	21.4 Å²	21.4	42%	0.423	14%	0.139	S	C	.	.	S	Bend	trans	-116.2	-16.9	172.8	54.8	0	0	0	0	112.7	Y145 I167 E169 G170	Y145-T150 HydrophobicContact CE1-CG2 4.43Å; T150-I167 WeakPolarHBondContact O-CG2 3.36Å; T150-E169 PolarHBondContact O-N 3.07Å; T150-E169 VanDerWaalsContact O-N 3.15Å; T150-G170 PolarHBondContact O-N 3.22Å
151	T	98.1	Very high	97.3	Very high	22 Å²	22	21.9 Å²	21.9	14%	0.135	14%	0.142	C	C	.	.	S	Bend	trans	-125.9	133.5	175.6	-61.6	0	0	0	0	110.1	I167 Y168 E169 D294 L295	T151-I167 WeakPolarHBondContact CA-O 3.49Å; T151-Y168 HydrophobicContact CG2-CD2 3.73Å; T151-Y168 HydrophobicContact CG2-CE2 4.32Å; T151-E169 PolarHBondContact OG1-N 3.32Å; T151-D294 HydrophobicContact CG2-CB 3.85Å; T151-L295 HydrophobicContact CG2-CD2 4.48Å
152	G	98.5	Very high	97.3	Very high	0 Å²	0	21 Å²	21	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.3	179	-179	0	0	0	0	0	111.7	I167 L295 N298	G152-I167 PolarHBondContact N-O 3.11Å; G152-I167 PolarHBondContact O-N 3.01Å; G152-L295 VanDerWaalsContact C-CD2 3.45Å; G152-L295 WeakPolarHBondContact O-CD2 3.43Å; G152-N298 WeakPolarHBondContact CA-O 3.46Å
153	I	98.8	Very high	97.4	Very high	1 Å²	1	21 Å²	21	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136.4	170.9	-173.1	164.9	0	0	0	109.1	N164 P166 T280 S283 I284 N298 N299 V300	I153-N164 HydrophobicContact CD1-CB 4.31Å; I153-P166 HydrophobicContact CD1-CB 4.36Å; I153-P166 HydrophobicContact CG1-CB 4.38Å; I153-T280 HydrophobicContact CD1-CG2 3.87Å; I153-T280 HydrophobicContact CG1-CG2 4.42Å; I153-T280 HydrophobicContact CG2-CG2 4.12Å; I153-S283 WeakPolarHBondContact CD1-OG 3.43Å; I153-I284 HydrophobicContact CD1-CD1 4.4Å; I153-I284 HydrophobicContact CD1-CG1 3.71Å; I153-I284 HydrophobicContact CG2-CD1 4.11Å; I153-I284 HydrophobicContact CG2-CG1 4.35Å; I153-N298 PolarHBondContact N-O 2.75Å; I153-N299 HydrophobicContact CG2-CB 4.13Å; I153-N299 WeakPolarHBondContact CG2-OD1 3.5Å; I153-N299 CarbonylContact O-C 3.56Å; I153-N299 WeakPolarHBondContact O-CA 3.45Å; I153-V300 PolarHBondContact O-N 3.24Å
154	V	98.8	Very high	97.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.4	178.6	-179.7	0	0	0	0	108.9	A140 L144 D156 N164 V165 I167 V300	A140-V154 HydrophobicContact CB-CB 4.01Å; A140-V154 HydrophobicContact CB-CG1 4.06Å; A140-V154 WeakPolarHBondContact O-CG2 3.29Å; L144-V154 HydrophobicContact CB-CG2 3.8Å; L144-V154 HydrophobicContact CD1-CG2 4.13Å; L144-V154 HydrophobicContact CG-CG2 4.47Å; V154-D156 HydrophobicContact CG1-CB 4.09Å; V154-N164 CarbonylContact O-C 3.58Å; V154-N164 WeakPolarHBondContact O-CA 3.06Å; V154-V165 PolarHBondContact N-O 3.48Å; V154-V165 PolarHBondContact O-N 3.33Å; V154-I167 HydrophobicContact CG2-CD1 3.83Å; V154-V300 CarbonylContact C-O 3.52Å; V154-V300 VanDerWaalsContact CA-O 3.31Å; V154-V300 WeakPolarHBondContact CA-O 3.38Å; V154-V300 HydrophobicContact CG2-CB 4.2Å
155	L	98.8	Very high	97.4	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.021	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	97.6	162.4	173.5	61.1	0	0	0	107.3	T162 H163 I276 V300 L301 S302 M315	L155-T162 HydrophobicContact CD1-CG2 3.46Å; L155-T162 VanDerWaalsContact CD1-CG2 3.46Å; L155-H163 CarbonylContact C-O 3.18Å; L155-H163 WeakPolarHBondContact CA-O 3.36Å; L155-I276 HydrophobicContact CD1-CB 4.25Å; L155-I276 HydrophobicContact CD1-CG2 4.32Å; L155-I276 HydrophobicContact CD2-CB 4.09Å; L155-I276 HydrophobicContact CD2-CD1 3.91Å; L155-I276 HydrophobicContact CD2-CG1 4.43Å; L155-V300 PolarHBondContact N-O 3.18Å; L155-L301 HydrophobicContact CB-CD2 3.94Å; L155-L301 HydrophobicContact CD2-CD2 3.9Å; L155-L301 HydrophobicContact CG-CD2 4.32Å; L155-S302 PolarHBondContact O-N 2.83Å; L155-M315 HydrophobicContact CD2-CE 3.71Å; L155-M315 HydrophobicContact CD2-SD 4.15Å
156	D	98.5	Very high	97.6	Very high	11 Å²	11	17.7 Å²	17.7	6%	0.059	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	114.4	176.9	-170	38.4	0	0	0	109.5	V154 T162 H163 S302	V154-D156 HydrophobicContact CG1-CB 4.09Å; D156-T162 CarbonylContact O-C 3.56Å; D156-T162 WeakPolarHBondContact O-CA 3.46Å; D156-H163 PolarHBondContact N-O 2.88Å; D156-H163 PolarHBondContact O-N 2.79Å; D156-S302 WeakPolarHBondContact CA-O 3.32Å; D156-S302 VanDerWaalsContact OD1-CB 3.24Å; D156-S302 WeakPolarHBondContact OD1-CB 3.41Å; D156-S302 PolarHBondContact OD1-OG 3.28Å
157	S	98.6	Very high	97.7	Very high	3 Å²	3	16.5 Å²	16.5	2%	0.021	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	105.2	-178.4	-169.8	0	0	0	0	110.7	T162 S302 G303 G304 T305	S157-T162 WeakPolarHBondContact CB-OG1 3.32Å; S157-T162 PolarHBondContact OG-OG1 3.45Å; S157-S302 PolarHBondContact N-O 3.32Å; S157-G303 CarbonylContact O-C 3.48Å; S157-G303 WeakPolarHBondContact O-CA 3.5Å; S157-G304 PolarHBondContact O-N 3.31Å; S157-T305 WeakPolarHBondContact O-CB 3.45Å; S157-T305 PolarHBondContact O-N 2.81Å; S157-T305 VanDerWaalsContact OG-CB 3.26Å; S157-T305 WeakPolarHBondContact OG-CB 3.34Å; S157-T305 VanDerWaalsContact OG-CG2 3.3Å; S157-T305 WeakPolarHBondContact OG-CG2 3.27Å
158	G	97.7	Very high	97.8	Very high	26 Å²	26	19.2 Å²	19.2	27%	0.268	12%	0.121	S	C	.	.			trans	-92.8	-152.5	-178.5	0	0	0	0	0	113.1	V161 A183 G184 T305	G158-V161 PolarHBondContact N-O 3.35Å; G158-A183 WeakPolarHBondContact O-CB 3.34Å; G158-G184 PolarHBondContact O-N 3.3Å; G158-G184 VanDerWaalsContact O-N 3.14Å; G158-T305 PolarHBondContact O-OG1 3.06Å
159	D	97.3	Very high	97.9	Very high	36 Å²	36	21.2 Å²	21.2	19%	0.193	11%	0.111	C	C	.	.	S	Bend	trans	-80	-37.1	171.8	-175.8	61.1	0	0	0	112	A183 G184 R185	D159-A183 WeakPolarHBondContact O-CB 3.28Å; D159-G184 PolarHBondContact O-N 2.96Å; D159-G184 VanDerWaalsContact O-N 3.14Å; D159-R185 VanDerWaalsContact O-CB 3.27Å; D159-R185 WeakPolarHBondContact O-CB 3.36Å; D159-R185 PolarHBondContact O-N 2.86Å; D159-R185 PolarHBondContact OD1-N 3.14Å; D159-R185 IonicContact OD2-CZ 3.56Å; D159-R185 IonicContact OD2-NE 3.44Å; D159-R185 PolarHBondContact OD2-NE 3.44Å; D159-R185 VanDerWaalsContact OD2-NE 3.13Å; D159-R185 IonicContact OD2-NH2 2.9Å; D159-R185 PolarHBondContact OD2-NH2 3.39Å
160	G	96.7	Very high	97.7	Very high	4 Å²	4	19 Å²	19	4%	0.041	11%	0.107	C	C	.	.	S	Bend	trans	-103.5	-21.1	-171.1	0	0	0	0	0	115.6	H75	H75-G160 WeakPolarHBondContact CA-O 3.31Å; H75-G160 PolarHBondContact CD2-O 3.04Å
161	V	97.7	Very high	97.7	Very high	10 Å²	10	23 Å²	23	6%	0.061	12%	0.115	C	C	.	.			trans	-160.1	153.5	-173.1	60.5	0	0	0	0	111.1	H75 G158 H163 R179	H75-V161 HydrophobicContact CB-CB 4.26Å; G158-V161 PolarHBondContact N-O 3.35Å; V161-H163 WeakPolarHBondContact CG1-CE1 3.49Å; V161-H163 WeakPolarHBondContact CG2-CE1 3.36Å; V161-R179 HydrophobicContact CG2-CG 3.94Å
162	T	98.5	Very high	97.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	134.4	172.5	-60.5	0	0	0	0	110.6	L155 D156 S157 L180 L182 I276	L155-T162 HydrophobicContact CD1-CG2 3.46Å; L155-T162 VanDerWaalsContact CD1-CG2 3.46Å; D156-T162 CarbonylContact O-C 3.56Å; D156-T162 WeakPolarHBondContact O-CA 3.46Å; S157-T162 WeakPolarHBondContact CB-OG1 3.32Å; S157-T162 PolarHBondContact OG-OG1 3.45Å; T162-L180 PolarHBondContact N-O 3.15Å; T162-L180 PolarHBondContact O-N 3.05Å; T162-L182 WeakPolarHBondContact CB-O 3.28Å; T162-L182 PolarHBondContact OG1-O 3.2Å; T162-I276 HydrophobicContact CG2-CG2 3.94Å
163	H	98.3	Very high	97.6	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.009	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	141	177.6	-59.8	105.5	0	0	0	111.5	P111 L155 D156 V161 V165 M178	P111-H163 HydrophobicContact CG-CB 3.86Å; P111-H163 VanDerWaalsContact CG-CD2 3.45Å; P111-H163 WeakPolarHBondContact CG-CD2 3.41Å; P111-H163 VanDerWaalsContact CG-CG 3.45Å; L155-H163 CarbonylContact C-O 3.18Å; L155-H163 WeakPolarHBondContact CA-O 3.36Å; D156-H163 PolarHBondContact N-O 2.88Å; D156-H163 PolarHBondContact O-N 2.79Å; V161-H163 WeakPolarHBondContact CG1-CE1 3.49Å; V161-H163 WeakPolarHBondContact CG2-CE1 3.36Å; H163-V165 HydrophobicContact CB-CG2 3.94Å; H163-M178 CarbonylContact C-O 3.56Å; H163-M178 WeakPolarHBondContact CA-O 3.38Å
164	N	98.6	Very high	97.5	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.011	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	115.7	160.3	-70.5	-81.3	0	0	0	108.4	I153 V154 I177 M178 T279 T280	I153-N164 HydrophobicContact CD1-CB 4.31Å; V154-N164 CarbonylContact O-C 3.58Å; V154-N164 WeakPolarHBondContact O-CA 3.06Å; N164-I177 WeakPolarHBondContact O-CA 3.3Å; N164-M178 HydrophobicContact CB-CB 4.19Å; N164-M178 PolarHBondContact N-O 3.14Å; N164-M178 PolarHBondContact O-N 3.29Å; N164-T279 PolarHBondContact ND2-OG1 2.86Å; N164-T280 PolarHBondContact ND2-N 3.49Å; N164-T280 WeakPolarHBondContact OD1-CA 3.31Å; N164-T280 WeakPolarHBondContact OD1-CB 3.44Å; N164-T280 PolarHBondContact OD1-OG1 3.04Å
165	V	98.7	Very high	97.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	105.7	-176	-172.3	0	0	0	0	109	P111 A140 V154 H163 I167 A172 I177	P111-V165 HydrophobicContact CB-CG2 4.09Å; P111-V165 HydrophobicContact CG-CG2 3.76Å; A140-V165 HydrophobicContact CB-CB 3.53Å; A140-V165 HydrophobicContact CB-CG1 3.97Å; A140-V165 HydrophobicContact CB-CG2 3.49Å; A140-V165 VanDerWaalsContact CB-CG2 3.49Å; V154-V165 PolarHBondContact N-O 3.48Å; V154-V165 PolarHBondContact O-N 3.33Å; H163-V165 HydrophobicContact CB-CG2 3.94Å; V165-I167 HydrophobicContact CG1-CD1 4.39Å; V165-I167 HydrophobicContact CG1-CG1 4.02Å; V165-A172 HydrophobicContact CG1-CB 3.81Å; V165-I177 HydrophobicContact CG1-CD1 4.13Å; V165-I177 HydrophobicContact CG1-CG1 4.21Å; V165-I177 HydrophobicContact CG2-CG2 4.34Å
166	P	98.7	Very high	97.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	133.5	172.1	28.7	-25.6	0	0	0	109.1	I153 L173 A176 S283 C287 L295	I153-P166 HydrophobicContact CD1-CB 4.36Å; I153-P166 HydrophobicContact CG1-CB 4.38Å; P166-L173 HydrophobicContact CB-CD1 4.28Å; P166-L173 HydrophobicContact CG-CB 4.18Å; P166-L173 PolarHBondContact O-N 3.42Å; P166-A176 HydrophobicContact CG-CB 3.54Å; P166-S283 VanDerWaalsContact CD-OG 3.28Å; P166-S283 WeakPolarHBondContact CD-OG 3.41Å; P166-S283 WeakPolarHBondContact CG-OG 3.38Å; P166-C287 VanDerWaalsContact CB-SG 3.58Å; P166-L295 HydrophobicContact CB-CD1 4.07Å; P166-L295 HydrophobicContact CB-CD2 4.33Å
167	I	98.6	Very high	97.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	133.3	-173.8	-59.7	154.3	0	0	0	107.6	V141 L144 T150 T151 G152 V154 V165 Y171 A172	V141-I167 HydrophobicContact CB-CD1 4.45Å; V141-I167 HydrophobicContact CG2-CD1 4.02Å; V141-I167 HydrophobicContact CG2-CG1 4.12Å; L144-I167 HydrophobicContact CB-CD1 3.92Å; L144-I167 HydrophobicContact CD2-CB 3.66Å; L144-I167 HydrophobicContact CD2-CD1 3.76Å; L144-I167 HydrophobicContact CD2-CG1 4.33Å; L144-I167 HydrophobicContact CD2-CG2 3.62Å; L144-I167 HydrophobicContact CG-CD1 4.44Å; T150-I167 WeakPolarHBondContact O-CG2 3.36Å; T151-I167 WeakPolarHBondContact CA-O 3.49Å; G152-I167 PolarHBondContact N-O 3.11Å; G152-I167 PolarHBondContact O-N 3.01Å; V154-I167 HydrophobicContact CG2-CD1 3.83Å; V165-I167 HydrophobicContact CG1-CD1 4.39Å; V165-I167 HydrophobicContact CG1-CG1 4.02Å; I167-Y171 CarbonylContact C-O 3.57Å; I167-Y171 VanDerWaalsContact CA-O 3.29Å; I167-Y171 WeakPolarHBondContact CA-O 3.26Å; I167-A172 HydrophobicContact CG1-CB 4.4Å
168	Y	97.7	Very high	97.3	Very high	80 Å²	80	35.7 Å²	35.7	31%	0.314	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	124.4	177.6	-177.4	-96.1	0	0	0	109.2	T151 G170 Y171 I291	T151-Y168 HydrophobicContact CG2-CD2 3.73Å; T151-Y168 HydrophobicContact CG2-CE2 4.32Å; Y168-G170 PolarHBondContact O-N 3.43Å; Y168-G170 VanDerWaalsContact O-N 3.11Å; Y168-Y171 PolarHBondContact N-O 2.86Å; Y168-Y171 PolarHBondContact O-N 2.82Å; Y168-I291 HydrophobicContact CD2-CB 3.99Å; Y168-I291 HydrophobicContact CD2-CD1 4.32Å; Y168-I291 HydrophobicContact CD2-CG2 3.53Å; Y168-I291 HydrophobicContact CE2-CB 4.25Å; Y168-I291 HydrophobicContact CE2-CG2 3.46Å; Y168-I291 VanDerWaalsContact CE2-CG2 3.46Å; Y168-I291 HydrophobicContact CG-CD1 4.48Å; Y168-I291 HydrophobicContact CG-CG2 4.3Å
169	E	95.3	Very high	97.3	Very high	114 Å²	114	39 Å²	39	53%	0.533	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	36.8	-179.3	-66.7	-179.5	-173.4	0	0	113.7	T150 T151 Y171	T150-E169 PolarHBondContact O-N 3.07Å; T150-E169 VanDerWaalsContact O-N 3.15Å; T151-E169 PolarHBondContact OG1-N 3.32Å; E169-Y171 VanDerWaalsContact C-N 3.35Å; E169-Y171 WeakPolarHBondContact O-CD2 3.49Å
170	G	93.4	Very high	97.2	Very high	14 Å²	14	37.6 Å²	37.6	14%	0.144	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	-7.5	179.7	0	0	0	0	0	115	T150 Y168	T150-G170 PolarHBondContact O-N 3.22Å; Y168-G170 PolarHBondContact O-N 3.43Å; Y168-G170 VanDerWaalsContact O-N 3.11Å
171	Y	94.6	Very high	97.1	Very high	155 Å²	155	40.5 Å²	40.5	61%	0.608	20%	0.195	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.6	-180	-61.5	-84	0	0	0	111.4	I167 Y168 E169	I167-Y171 CarbonylContact C-O 3.57Å; I167-Y171 VanDerWaalsContact CA-O 3.29Å; I167-Y171 WeakPolarHBondContact CA-O 3.26Å; Y168-Y171 PolarHBondContact N-O 2.86Å; Y168-Y171 PolarHBondContact O-N 2.82Å; E169-Y171 VanDerWaalsContact C-N 3.35Å; E169-Y171 WeakPolarHBondContact O-CD2 3.49Å
172	A	97.1	Very high	97.2	Very high	16 Å²	16	40 Å²	40	13%	0.132	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	142.9	170.2	0	0	0	0	0	110.2	I138 V141 V165 I167 P174	I138-A172 HydrophobicContact CD1-CB 4.05Å; V141-A172 HydrophobicContact CG2-CB 4.04Å; V165-A172 HydrophobicContact CG1-CB 3.81Å; I167-A172 HydrophobicContact CG1-CB 4.4Å; A172-P174 VanDerWaalsContact O-CD 3.22Å; A172-P174 WeakPolarHBondContact O-CD 3.48Å
173	L	97.5	Very high	97.1	Very high	33 Å²	33	40 Å²	40	17%	0.173	19%	0.192	C	C	.	.			trans	-99.1	95.6	179.3	-54.4	175.5	0	0	0	110.1	P166 H175 A176 I177 C287 I291	P166-L173 HydrophobicContact CB-CD1 4.28Å; P166-L173 HydrophobicContact CG-CB 4.18Å; P166-L173 PolarHBondContact O-N 3.42Å; L173-H175 VanDerWaalsContact C-N 3.3Å; L173-H175 PolarHBondContact O-N 2.96Å; L173-A176 HydrophobicContact CB-CB 4.45Å; L173-A176 PolarHBondContact O-N 3.37Å; L173-I177 PolarHBondContact O-N 2.72Å; L173-C287 HydrophobicContact CD1-CB 4.49Å; L173-I291 HydrophobicContact CD1-CD1 3.49Å; L173-I291 VanDerWaalsContact CD1-CD1 3.49Å
174	P	96.4	Very high	97.1	Very high	87 Å²	87	40 Å²	40	57%	0.565	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-64.7	-32.6	-163.5	-23.9	37	0	0	0	114	A172 A176 I177	A172-P174 VanDerWaalsContact O-CD 3.22Å; A172-P174 WeakPolarHBondContact O-CD 3.48Å; P174-A176 PolarHBondContact O-N 3.43Å; P174-I177 PolarHBondContact O-N 2.54Å
175	H	96.9	Very high	97.1	Very high	117 Å²	117	42.1 Å²	42.1	54%	0.542	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-67.1	-20.2	179.6	65.6	-86.8	0	0	0	113.5	L173	L173-H175 VanDerWaalsContact C-N 3.3Å; L173-H175 PolarHBondContact O-N 2.96Å
176	A	98.2	Very high	97	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-109	4.5	-176.8	0	0	0	0	0	113.1	P166 L173 P174 M178 S283 K286 C287	P166-A176 HydrophobicContact CG-CB 3.54Å; L173-A176 HydrophobicContact CB-CB 4.45Å; L173-A176 PolarHBondContact O-N 3.37Å; P174-A176 PolarHBondContact O-N 3.43Å; A176-M178 PolarHBondContact O-N 2.87Å; A176-S283 WeakPolarHBondContact O-CB 3.28Å; A176-S283 PolarHBondContact O-OG 3Å; A176-K286 HydrophobicContact CB-CB 3.71Å; A176-C287 VanDerWaalsContact CB-SG 3.57Å
177	I	98.5	Very high	97	Very high	17 Å²	17	44.1 Å²	44.1	9%	0.087	21%	0.211	C	C	.	.			trans	-69.7	131	174.7	-61.2	-179.9	0	0	0	109.5	P111 L112 N164 V165 L173 P174	P111-I177 HydrophobicContact CB-CD1 3.79Å; P111-I177 HydrophobicContact CB-CG2 4.16Å; P111-I177 HydrophobicContact CG-CG2 4.28Å; L112-I177 HydrophobicContact CD1-CB 4.45Å; L112-I177 HydrophobicContact CD1-CG2 4.07Å; L112-I177 HydrophobicContact CD2-CD1 4.24Å; L112-I177 HydrophobicContact CG-CD1 4.44Å; L112-I177 HydrophobicContact CG-CG2 4.3Å; N164-I177 WeakPolarHBondContact O-CA 3.3Å; V165-I177 HydrophobicContact CG1-CD1 4.13Å; V165-I177 HydrophobicContact CG1-CG1 4.21Å; V165-I177 HydrophobicContact CG2-CG2 4.34Å; L173-I177 PolarHBondContact O-N 2.72Å; P174-I177 PolarHBondContact O-N 2.54Å
178	M	98	Very high	97	Very high	37 Å²	37	44.1 Å²	44.1	18%	0.182	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129	171.9	-55	-69.5	-65.8	0	0	108.6	H163 N164 A176 T279 N282 K286	H163-M178 CarbonylContact C-O 3.56Å; H163-M178 WeakPolarHBondContact CA-O 3.38Å; N164-M178 HydrophobicContact CB-CB 4.19Å; N164-M178 PolarHBondContact N-O 3.14Å; N164-M178 PolarHBondContact O-N 3.29Å; A176-M178 PolarHBondContact O-N 2.87Å; M178-T279 HydrophobicContact CE-CG2 4.38Å; M178-T279 WeakPolarHBondContact CG-O 3.27Å; M178-N282 HydrophobicContact CE-CB 4.24Å; M178-K286 HydrophobicContact SD-CD 4.1Å; M178-K286 PolarHBondContact SD-NZ 3.15Å
179	R	96.3	Very high	97	Very high	96 Å²	96	43.7 Å²	43.7	36%	0.362	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138	177	175.7	172.8	165	177.6	-5.5	109.5	V161 D181	V161-R179 HydrophobicContact CG2-CG 3.94Å; R179-D181 IonicContact CZ-OD1 2.88Å; R179-D181 VanDerWaalsContact CZ-OD1 3.26Å; R179-D181 IonicContact CZ-OD2 2.92Å; R179-D181 IonicContact NE-OD1 2.82Å; R179-D181 PolarHBondContact NE-OD1 3.35Å; R179-D181 IonicContact NE-OD2 3.82Å; R179-D181 IonicContact NH2-OD1 3.24Å; R179-D181 PolarHBondContact NH2-OD1 3.48Å; R179-D181 IonicContact NH2-OD2 2.75Å; R179-D181 PolarHBondContact NH2-OD2 3.07Å
180	L	96.1	Very high	97.1	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	115.4	175.4	-176.4	73	0	0	0	108.3	T162 L182 M271 S273 I276	T162-L180 PolarHBondContact N-O 3.15Å; T162-L180 PolarHBondContact O-N 3.05Å; L180-L182 HydrophobicContact CD1-CB 4.44Å; L180-L182 HydrophobicContact CD2-CB 3.82Å; L180-L182 HydrophobicContact CD2-CD2 4.2Å; L180-L182 HydrophobicContact CD2-CG 4.4Å; L180-L182 HydrophobicContact CG-CB 3.74Å; L180-L182 PolarHBondContact O-N 3.4Å; L180-M271 HydrophobicContact CD1-SD 3.89Å; L180-S273 WeakPolarHBondContact CD1-OG 3.41Å; L180-I276 HydrophobicContact CD2-CG2 4.25Å
181	D	95.2	Very high	97.4	Very high	64 Å²	64	38.6 Å²	38.6	34%	0.342	19%	0.186	S	C	.	.	S	Bend	trans	-78.8	54	174.4	-69.5	-14.1	0	0	0	110.1	R179 M271	R179-D181 IonicContact CZ-OD1 2.88Å; R179-D181 VanDerWaalsContact CZ-OD1 3.26Å; R179-D181 IonicContact CZ-OD2 2.92Å; R179-D181 IonicContact NE-OD1 2.82Å; R179-D181 PolarHBondContact NE-OD1 3.35Å; R179-D181 IonicContact NE-OD2 3.82Å; R179-D181 IonicContact NH2-OD1 3.24Å; R179-D181 PolarHBondContact NH2-OD1 3.48Å; R179-D181 IonicContact NH2-OD2 2.75Å; R179-D181 PolarHBondContact NH2-OD2 3.07Å; D181-M271 WeakPolarHBondContact O-CE 3.39Å
182	L	97.7	Very high	97.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.164	C	C	.	.			trans	-137.8	116.3	174	172.3	53.8	0	0	0	107.8	T162 L180 D186 L187 T262 L263 P266 I269 M271	T162-L182 WeakPolarHBondContact CB-O 3.28Å; T162-L182 PolarHBondContact OG1-O 3.2Å; L180-L182 HydrophobicContact CD1-CB 4.44Å; L180-L182 HydrophobicContact CD2-CB 3.82Å; L180-L182 HydrophobicContact CD2-CD2 4.2Å; L180-L182 HydrophobicContact CD2-CG 4.4Å; L180-L182 HydrophobicContact CG-CB 3.74Å; L180-L182 PolarHBondContact O-N 3.4Å; L182-D186 WeakPolarHBondContact CA-OD2 3.41Å; L182-D186 HydrophobicContact CD1-CB 3.59Å; L182-L187 HydrophobicContact CD1-CD2 4.31Å; L182-T262 VanDerWaalsContact CD2-O 3.26Å; L182-T262 WeakPolarHBondContact CD2-O 3.3Å; L182-L263 HydrophobicContact CG-CD2 4.34Å; L182-P266 HydrophobicContact CD2-CB 3.96Å; L182-P266 HydrophobicContact CD2-CG 3.98Å; L182-I269 HydrophobicContact CD1-CD1 3.46Å; L182-I269 VanDerWaalsContact CD1-CD1 3.46Å; L182-I269 HydrophobicContact CD2-CD1 4.1Å; L182-I269 HydrophobicContact CG-CD1 4.34Å; L182-M271 HydrophobicContact CB-CE 4.06Å; L182-M271 HydrophobicContact CB-SD 4.03Å; L182-M271 HydrophobicContact CD2-SD 4.42Å
183	A	98.2	Very high	97.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-157.2	-162.3	-176.4	0	0	0	0	0	111.9	G158 D159 R185 D186 L187	G158-A183 WeakPolarHBondContact O-CB 3.34Å; D159-A183 WeakPolarHBondContact O-CB 3.28Å; A183-R185 PolarHBondContact O-N 3.36Å; A183-R185 VanDerWaalsContact O-N 3.08Å; A183-D186 PolarHBondContact N-OD2 2.89Å; A183-D186 PolarHBondContact O-N 3.13Å; A183-D186 VanDerWaalsContact O-N 3.15Å; A183-L187 WeakPolarHBondContact O-CG 3.33Å; A183-L187 PolarHBondContact O-N 2.64Å
184	G	98.2	Very high	97.6	Very high	1 Å²	1	36 Å²	36	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-50.6	-39	-172	0	0	0	0	0	114.5	G158 D159 L187 T188 K215 T305	G158-G184 PolarHBondContact O-N 3.3Å; G158-G184 VanDerWaalsContact O-N 3.14Å; D159-G184 PolarHBondContact O-N 2.96Å; D159-G184 VanDerWaalsContact O-N 3.14Å; G184-L187 PolarHBondContact O-N 2.91Å; G184-T188 PolarHBondContact O-N 2.85Å; G184-T188 PolarHBondContact O-OG1 3Å; G184-K215 PolarHBondContact O-NZ 3.2Å; G184-T305 WeakPolarHBondContact CA-OG1 3.44Å; G184-T305 PolarHBondContact N-OG1 2.75Å
185	R	97	Very high	97.7	Very high	48 Å²	48	31.8 Å²	31.8	18%	0.181	15%	0.147	C	C	.	.	H	α-helix	trans	-64.8	-48.7	-178.3	-167.7	170.1	-65.4	-178	3.3	111.5	S16 Y71 D159 A183 L187 T188 D189 R208	S16-R185 PolarHBondContact O-NH2 3.46Å; Y71-R185 VanDerWaalsContact CD1-NH2 3.29Å; D159-R185 VanDerWaalsContact O-CB 3.27Å; D159-R185 WeakPolarHBondContact O-CB 3.36Å; D159-R185 PolarHBondContact O-N 2.86Å; D159-R185 PolarHBondContact OD1-N 3.14Å; D159-R185 IonicContact OD2-CZ 3.56Å; D159-R185 IonicContact OD2-NE 3.44Å; D159-R185 PolarHBondContact OD2-NE 3.44Å; D159-R185 VanDerWaalsContact OD2-NE 3.13Å; D159-R185 IonicContact OD2-NH2 2.9Å; D159-R185 PolarHBondContact OD2-NH2 3.39Å; A183-R185 PolarHBondContact O-N 3.36Å; A183-R185 VanDerWaalsContact O-N 3.08Å; R185-L187 VanDerWaalsContact C-N 3.31Å; R185-L187 PolarHBondContact O-N 3.01Å; R185-T188 WeakPolarHBondContact O-CB 3.36Å; R185-T188 PolarHBondContact O-N 2.88Å; R185-T188 VanDerWaalsContact O-N 3.17Å; R185-D189 PolarHBondContact O-N 2.66Å; R185-D189 VanDerWaalsContact O-N 3.11Å; R185-R208 PolarHBondContact O-NH2 2.97Å
186	D	98	Very high	97.7	Very high	42 Å²	42	29.3 Å²	29.3	23%	0.225	14%	0.14	C	C	.	.	H	α-helix	trans	-64.8	-38.1	178.7	-45.6	-74.6	0	0	0	111.1	L182 A183 T188 D189 Y190	L182-D186 WeakPolarHBondContact CA-OD2 3.41Å; L182-D186 HydrophobicContact CD1-CB 3.59Å; A183-D186 PolarHBondContact N-OD2 2.89Å; A183-D186 PolarHBondContact O-N 3.13Å; A183-D186 VanDerWaalsContact O-N 3.15Å; D186-T188 VanDerWaalsContact C-N 3.32Å; D186-T188 PolarHBondContact O-N 2.81Å; D186-D189 PolarHBondContact O-N 3.24Å; D186-Y190 WeakPolarHBondContact O-CB 3.33Å; D186-Y190 PolarHBondContact O-N 3.07Å
187	L	98.6	Very high	97.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63	-38.5	174.7	-62.7	-173.5	0	0	0	112.1	L182 A183 G184 R185 L191 K215 C259 T262 L263 T305 Y308	L182-L187 HydrophobicContact CD1-CD2 4.31Å; A183-L187 WeakPolarHBondContact O-CG 3.33Å; A183-L187 PolarHBondContact O-N 2.64Å; G184-L187 PolarHBondContact O-N 2.91Å; R185-L187 VanDerWaalsContact C-N 3.31Å; R185-L187 PolarHBondContact O-N 3.01Å; L187-L191 WeakPolarHBondContact O-CB 3.44Å; L187-L191 PolarHBondContact O-N 3.18Å; L187-K215 HydrophobicContact CB-CD 3.85Å; L187-C259 PolarHBondContact O-SG 2.81Å; L187-T262 WeakPolarHBondContact CD2-OG1 3.38Å; L187-L263 HydrophobicContact CD1-CD1 4.09Å; L187-L263 HydrophobicContact CD1-CD2 4.19Å; L187-L263 HydrophobicContact CD1-CG 4.09Å; L187-L263 HydrophobicContact CD2-CD2 4.45Å; L187-L263 HydrophobicContact CD2-CG 4.31Å; L187-T305 HydrophobicContact CD1-CG2 3.72Å; L187-Y308 HydrophobicContact CD1-CE2 3.67Å; L187-Y308 WeakPolarHBondContact CD1-OH 3.45Å
188	T	98.3	Very high	97.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.4	-44.3	173.9	-61.2	0	0	0	0	110.6	G184 R185 D186 L191 M192 R208 V211 R212 K215	G184-T188 PolarHBondContact O-N 2.85Å; G184-T188 PolarHBondContact O-OG1 3Å; R185-T188 WeakPolarHBondContact O-CB 3.36Å; R185-T188 PolarHBondContact O-N 2.88Å; R185-T188 VanDerWaalsContact O-N 3.17Å; D186-T188 VanDerWaalsContact C-N 3.32Å; D186-T188 PolarHBondContact O-N 2.81Å; T188-L191 PolarHBondContact O-N 2.65Å; T188-M192 WeakPolarHBondContact O-CG 3.44Å; T188-M192 PolarHBondContact O-N 2.65Å; T188-R208 HydrophobicContact CG2-CG 3.95Å; T188-V211 HydrophobicContact CG2-CB 4.36Å; T188-V211 HydrophobicContact CG2-CG1 4.24Å; T188-R212 HydrophobicContact CG2-CB 4.02Å; T188-K215 WeakPolarHBondContact OG1-CE 3.35Å; T188-K215 PolarHBondContact OG1-NZ 3.33Å
189	D	97.4	Very high	97.2	Very high	71 Å²	71	38.8 Å²	38.8	38%	0.38	20%	0.196	S	C	.	.	H	α-helix	trans	-67.9	-38.6	-178.6	-63	-22.4	0	0	0	111.6	R185 D186 M192 K193 R208	R185-D189 PolarHBondContact O-N 2.66Å; R185-D189 VanDerWaalsContact O-N 3.11Å; D186-D189 PolarHBondContact O-N 3.24Å; D189-M192 WeakPolarHBondContact O-CB 3.35Å; D189-M192 PolarHBondContact O-N 2.85Å; D189-K193 PolarHBondContact O-N 2.78Å; D189-R208 IonicContact OD1-CZ 3.02Å; D189-R208 IonicContact OD1-NE 3.62Å; D189-R208 PolarHBondContact OD1-NE 3.48Å; D189-R208 IonicContact OD1-NH2 3.35Å; D189-R208 PolarHBondContact OD1-NH2 2.85Å; D189-R208 IonicContact OD2-NH2 2.79Å; D189-R208 PolarHBondContact OD2-NH2 2.81Å
190	Y	98.2	Very high	97.2	Very high	20 Å²	20	37 Å²	37	8%	0.078	19%	0.19	C	C	.	.	H	α-helix	trans	-65.8	-40.2	172.4	-179.5	-119.4	0	0	0	112.1	D186 M192 K193 I194 C259 T262 I269	D186-Y190 WeakPolarHBondContact O-CB 3.33Å; D186-Y190 PolarHBondContact O-N 3.07Å; Y190-M192 VanDerWaalsContact C-N 3.3Å; Y190-M192 PolarHBondContact O-N 3.3Å; Y190-K193 HydrophobicContact CD2-CD 4.45Å; Y190-K193 WeakPolarHBondContact O-CB 3.45Å; Y190-K193 PolarHBondContact O-N 3.18Å; Y190-K193 VanDerWaalsContact O-N 3.12Å; Y190-I194 HydrophobicContact CD1-CD1 4.29Å; Y190-I194 HydrophobicContact CD2-CG2 4.19Å; Y190-I194 HydrophobicContact CE1-CD1 3.96Å; Y190-I194 HydrophobicContact CE1-CG2 4.05Å; Y190-I194 HydrophobicContact CE2-CG2 3.61Å; Y190-I194 PolarHBondContact O-N 3.36Å; Y190-C259 HydrophobicContact CD1-CB 4.44Å; Y190-T262 HydrophobicContact CD1-CG2 3.42Å; Y190-T262 VanDerWaalsContact CD1-CG2 3.42Å; Y190-T262 HydrophobicContact CE1-CG2 3.34Å; Y190-T262 HydrophobicContact CG-CG2 4.12Å; Y190-I269 HydrophobicContact CD1-CG2 4.22Å; Y190-I269 HydrophobicContact CD2-CG2 3.43Å; Y190-I269 VanDerWaalsContact CD2-CG2 3.43Å; Y190-I269 HydrophobicContact CE2-CG2 3.93Å; Y190-I269 HydrophobicContact CG-CG2 3.57Å
191	L	98.5	Very high	97.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61	-40.9	175	-174.6	60.3	0	0	0	111.3	L187 T188 K193 I194 L195 V211 I214 K215 E255 C259	L187-L191 WeakPolarHBondContact O-CB 3.44Å; L187-L191 PolarHBondContact O-N 3.18Å; T188-L191 PolarHBondContact O-N 2.65Å; L191-K193 VanDerWaalsContact C-N 3.27Å; L191-K193 PolarHBondContact O-N 3.14Å; L191-I194 HydrophobicContact CD1-CD1 3.96Å; L191-I194 HydrophobicContact CD1-CG1 3.99Å; L191-I194 WeakPolarHBondContact O-CG1 3.4Å; L191-I194 PolarHBondContact O-N 3.14Å; L191-L195 HydrophobicContact CD1-CD1 4.22Å; L191-L195 HydrophobicContact CD1-CD2 4.47Å; L191-L195 HydrophobicContact CD1-CG 4.01Å; L191-L195 HydrophobicContact CD2-CD1 4.43Å; L191-L195 HydrophobicContact CG-CD1 3.83Å; L191-L195 HydrophobicContact CG-CG 4.12Å; L191-L195 VanDerWaalsContact O-CB 3.31Å; L191-L195 WeakPolarHBondContact O-CB 3.42Å; L191-L195 WeakPolarHBondContact O-CG 3.36Å; L191-L195 PolarHBondContact O-N 3.48Å; L191-V211 HydrophobicContact CB-CG1 3.78Å; L191-V211 HydrophobicContact CD2-CG1 3.71Å; L191-V211 HydrophobicContact CG-CG1 3.67Å; L191-I214 HydrophobicContact CD2-CB 4.45Å; L191-I214 HydrophobicContact CD2-CG2 4.08Å; L191-K215 HydrophobicContact CD2-CB 3.6Å; L191-K215 HydrophobicContact CD2-CG 4.26Å; L191-E255 HydrophobicContact CD1-CB 3.92Å; L191-C259 HydrophobicContact CB-CB 4.32Å; L191-C259 HydrophobicContact CD1-CB 4.02Å
192	M	98.1	Very high	97.2	Very high	29 Å²	29	37.9 Å²	37.9	14%	0.143	20%	0.2	C	C	.	.	H	α-helix	trans	-56.6	-43.6	173.9	-68.9	174.9	67.6	0	0	111.5	T188 D189 Y190 T196 F202 R208 V211	T188-M192 WeakPolarHBondContact O-CG 3.44Å; T188-M192 PolarHBondContact O-N 2.65Å; D189-M192 WeakPolarHBondContact O-CB 3.35Å; D189-M192 PolarHBondContact O-N 2.85Å; Y190-M192 VanDerWaalsContact C-N 3.3Å; Y190-M192 PolarHBondContact O-N 3.3Å; M192-T196 PolarHBondContact O-N 3.04Å; M192-T196 PolarHBondContact O-OG1 3.39Å; M192-F202 HydrophobicContact CE-CB 4.13Å; M192-F202 WeakPolarHBondContact CE-O 3.32Å; M192-R208 HydrophobicContact CE-CB 4.3Å; M192-R208 HydrophobicContact SD-CB 3.88Å; M192-R208 HydrophobicContact SD-CG 3.66Å; M192-V211 HydrophobicContact CB-CG1 4.48Å; M192-V211 HydrophobicContact CG-CB 3.8Å; M192-V211 HydrophobicContact CG-CG1 3.64Å; M192-V211 HydrophobicContact CG-CG2 3.79Å
193	K	97.5	Very high	96.9	Very high	120 Å²	120	43.3 Å²	43.3	52%	0.522	23%	0.233	S	C	.	.	H	α-helix	trans	-61.7	-51.9	178.1	-179.2	-177.1	173.5	-175.6	0	111.9	D189 Y190 L191 L195 T196 E197	D189-K193 PolarHBondContact O-N 2.78Å; Y190-K193 HydrophobicContact CD2-CD 4.45Å; Y190-K193 WeakPolarHBondContact O-CB 3.45Å; Y190-K193 PolarHBondContact O-N 3.18Å; Y190-K193 VanDerWaalsContact O-N 3.12Å; L191-K193 VanDerWaalsContact C-N 3.27Å; L191-K193 PolarHBondContact O-N 3.14Å; K193-L195 VanDerWaalsContact C-N 3.34Å; K193-L195 PolarHBondContact O-N 3Å; K193-T196 WeakPolarHBondContact O-CA 3.32Å; K193-T196 VanDerWaalsContact O-CB 3.31Å; K193-T196 WeakPolarHBondContact O-CB 3.27Å; K193-T196 PolarHBondContact O-N 3.28Å; K193-T196 VanDerWaalsContact O-N 3.1Å; K193-E197 PolarHBondContact O-N 3.47Å
194	I	97.7	Very high	96.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-74.1	-24	-176.9	65.7	-177.1	0	0	0	113	Y190 L191 T196 E197 R198 E255 R258 C259	Y190-I194 HydrophobicContact CD1-CD1 4.29Å; Y190-I194 HydrophobicContact CD2-CG2 4.19Å; Y190-I194 HydrophobicContact CE1-CD1 3.96Å; Y190-I194 HydrophobicContact CE1-CG2 4.05Å; Y190-I194 HydrophobicContact CE2-CG2 3.61Å; Y190-I194 PolarHBondContact O-N 3.36Å; L191-I194 HydrophobicContact CD1-CD1 3.96Å; L191-I194 HydrophobicContact CD1-CG1 3.99Å; L191-I194 WeakPolarHBondContact O-CG1 3.4Å; L191-I194 PolarHBondContact O-N 3.14Å; I194-T196 VanDerWaalsContact C-N 3.33Å; I194-E197 WeakPolarHBondContact O-CB 3.48Å; I194-E197 PolarHBondContact O-N 2.92Å; I194-R198 PolarHBondContact O-N 3.13Å; I194-E255 HydrophobicContact CB-CG 4.16Å; I194-E255 HydrophobicContact CD1-CB 3.67Å; I194-E255 HydrophobicContact CD1-CG 4.02Å; I194-E255 HydrophobicContact CG1-CB 3.86Å; I194-E255 HydrophobicContact CG1-CG 3.79Å; I194-R258 HydrophobicContact CD1-CB 4.15Å; I194-C259 HydrophobicContact CD1-CB 4.08Å
195	L	98.2	Very high	96.2	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-67.7	-36.5	167.2	-72.3	174.8	0	0	0	111.4	L191 K193 R198 G199 Y200 F202 V211 I214 I252 E255	L191-L195 HydrophobicContact CD1-CD1 4.22Å; L191-L195 HydrophobicContact CD1-CD2 4.47Å; L191-L195 HydrophobicContact CD1-CG 4.01Å; L191-L195 HydrophobicContact CD2-CD1 4.43Å; L191-L195 HydrophobicContact CG-CD1 3.83Å; L191-L195 HydrophobicContact CG-CG 4.12Å; L191-L195 VanDerWaalsContact O-CB 3.31Å; L191-L195 WeakPolarHBondContact O-CB 3.42Å; L191-L195 WeakPolarHBondContact O-CG 3.36Å; L191-L195 PolarHBondContact O-N 3.48Å; K193-L195 VanDerWaalsContact C-N 3.34Å; K193-L195 PolarHBondContact O-N 3Å; L195-R198 WeakPolarHBondContact O-CB 3.36Å; L195-R198 PolarHBondContact O-N 2.84Å; L195-R198 VanDerWaalsContact O-N 3.16Å; L195-G199 PolarHBondContact O-N 3.14Å; L195-Y200 CarbonylContact C-O 3.59Å; L195-Y200 PolarHBondContact O-N 3.31Å; L195-F202 HydrophobicContact CB-CD2 4.33Å; L195-F202 HydrophobicContact CB-CE2 4.22Å; L195-F202 HydrophobicContact CD1-CD2 4.17Å; L195-F202 HydrophobicContact CD1-CE2 3.81Å; L195-V211 HydrophobicContact CD1-CG1 3.94Å; L195-V211 HydrophobicContact CD1-CG2 4.04Å; L195-I214 HydrophobicContact CD1-CD1 4.34Å; L195-I252 HydrophobicContact CD2-CD1 3.73Å; L195-I252 HydrophobicContact CD2-CG2 4.21Å; L195-E255 HydrophobicContact CD2-CB 4.46Å; L195-E255 HydrophobicContact CD2-CG 4.39Å
196	T	97.5	Very high	95.8	Very high	65 Å²	65	50.4 Å²	50.4	40%	0.399	29%	0.287	S	S	.	.	H	α-helix	trans	-65.5	-39.1	174.4	-55.5	0	0	0	0	111.2	M192 K193 I194 R198 G199 Y200	M192-T196 PolarHBondContact O-N 3.04Å; M192-T196 PolarHBondContact O-OG1 3.39Å; K193-T196 WeakPolarHBondContact O-CA 3.32Å; K193-T196 VanDerWaalsContact O-CB 3.31Å; K193-T196 WeakPolarHBondContact O-CB 3.27Å; K193-T196 PolarHBondContact O-N 3.28Å; K193-T196 VanDerWaalsContact O-N 3.1Å; I194-T196 VanDerWaalsContact C-N 3.33Å; T196-R198 PolarHBondContact O-N 2.97Å; T196-G199 WeakPolarHBondContact O-CA 3.41Å; T196-G199 PolarHBondContact O-N 3.45Å; T196-Y200 VanDerWaalsContact CA-O 3.31Å; T196-Y200 WeakPolarHBondContact CA-O 3.45Å; T196-Y200 PolarHBondContact N-O 3.49Å
197	E	95.2	Very high	95.7	Very high	110 Å²	110	51.2 Å²	51.2	51%	0.514	29%	0.29	S	S	.	.	H	α-helix	trans	-57	-35.2	172.5	-67	168.7	-169.1	0	0	112.1	K193 I194 G199 R258	K193-E197 PolarHBondContact O-N 3.47Å; I194-E197 WeakPolarHBondContact O-CB 3.48Å; I194-E197 PolarHBondContact O-N 2.92Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-R258 IonicContact OE2-CZ 3.94Å; E197-R258 IonicContact OE2-NH1 3.89Å; E197-R258 IonicContact OE2-NH2 3.22Å; E197-R258 PolarHBondContact OE2-NH2 3.03Å
198	R	93.1	Very high	95.5	Very high	81 Å²	81	52.8 Å²	52.8	31%	0.306	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-13	175.4	-161.5	-178.4	-176.1	89.4	4.6	113.5	I194 L195 T196 Y200 E239 T251 E255	I194-R198 PolarHBondContact O-N 3.13Å; L195-R198 WeakPolarHBondContact O-CB 3.36Å; L195-R198 PolarHBondContact O-N 2.84Å; L195-R198 VanDerWaalsContact O-N 3.16Å; T196-R198 PolarHBondContact O-N 2.97Å; R198-Y200 HydrophobicContact CB-CD2 4.5Å; R198-Y200 HydrophobicContact CG-CD2 4.49Å; R198-Y200 HydrophobicContact CG-CE2 4.35Å; R198-E239 IonicContact CZ-OE1 3.43Å; R198-E239 IonicContact NH2-OE1 2.72Å; R198-E239 PolarHBondContact NH2-OE1 3.25Å; R198-T251 WeakPolarHBondContact CD-O 3.36Å; R198-T251 PolarHBondContact NE-O 2.94Å; R198-E255 WeakPolarHBondContact CD-OE1 3.33Å; R198-E255 IonicContact CZ-OE1 2.94Å; R198-E255 IonicContact CZ-OE2 2.97Å; R198-E255 IonicContact NH1-OE1 3.26Å; R198-E255 PolarHBondContact NH1-OE1 2.99Å; R198-E255 VanDerWaalsContact NH1-OE1 3.08Å; R198-E255 IonicContact NH1-OE2 3.21Å; R198-E255 PolarHBondContact NH1-OE2 2.91Å
199	G	96.2	Very high	95.3	Very high	61 Å²	61	54.2 Å²	54.2	63%	0.629	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.1	5.5	-179	0	0	0	0	0	115.3	L195 T196 E197	L195-G199 PolarHBondContact O-N 3.14Å; T196-G199 WeakPolarHBondContact O-CA 3.41Å; T196-G199 PolarHBondContact O-N 3.45Å; E197-G199 VanDerWaalsContact C-N 3.29Å
200	Y	96.1	Very high	95.3	Very high	58 Å²	58	52.3 Å²	52.3	23%	0.227	29%	0.292	C	S	.	.			trans	-101.9	102.5	173.9	-55.9	-54.9	0	0	0	110.5	L195 T196 R198 I250 T251	L195-Y200 CarbonylContact C-O 3.59Å; L195-Y200 PolarHBondContact O-N 3.31Å; T196-Y200 VanDerWaalsContact CA-O 3.31Å; T196-Y200 WeakPolarHBondContact CA-O 3.45Å; T196-Y200 PolarHBondContact N-O 3.49Å; R198-Y200 HydrophobicContact CB-CD2 4.5Å; R198-Y200 HydrophobicContact CG-CD2 4.49Å; R198-Y200 HydrophobicContact CG-CE2 4.35Å; Y200-I250 HydrophobicContact CD1-CB 4.28Å; Y200-I250 HydrophobicContact CD1-CG2 3.8Å; Y200-I250 HydrophobicContact CD2-CB 4.34Å; Y200-I250 HydrophobicContact CD2-CD1 4.49Å; Y200-I250 HydrophobicContact CE1-CB 3.87Å; Y200-I250 HydrophobicContact CE1-CG2 3.55Å; Y200-I250 HydrophobicContact CE2-CB 3.93Å; Y200-I250 HydrophobicContact CE2-CG2 4.47Å; Y200-I250 HydrophobicContact CG-CG2 4.37Å; Y200-T251 WeakPolarHBondContact CE2-O 3.4Å; Y200-T251 PolarHBondContact OH-N 2.81Å
201	S	95.2	Very high	95.3	Very high	74 Å²	74	51.4 Å²	51.4	52%	0.517	29%	0.288	S	S	.	.			trans	-90.4	126.9	-179.1	-169.7	0	0	0	0	111.3
202	F	95.5	Very high	95.3	Very high	16 Å²	16	54.8 Å²	54.8	7%	0.07	30%	0.301	C	S	.	.			trans	-123.6	117.2	173.7	-63.6	-82	0	0	0	107	M192 L195 E207 I210 V211 I214 L244 I250	M192-F202 HydrophobicContact CE-CB 4.13Å; M192-F202 WeakPolarHBondContact CE-O 3.32Å; L195-F202 HydrophobicContact CB-CD2 4.33Å; L195-F202 HydrophobicContact CB-CE2 4.22Å; L195-F202 HydrophobicContact CD1-CD2 4.17Å; L195-F202 HydrophobicContact CD1-CE2 3.81Å; F202-E207 HydrophobicContact CB-CB 3.93Å; F202-E207 HydrophobicContact CD1-CB 3.84Å; F202-E207 HydrophobicContact CD1-CG 4.11Å; F202-E207 HydrophobicContact CG-CB 4.38Å; F202-I210 HydrophobicContact CE1-CG2 4.34Å; F202-V211 HydrophobicContact CB-CG2 3.84Å; F202-V211 HydrophobicContact CD1-CG2 3.95Å; F202-V211 HydrophobicContact CD2-CG2 3.52Å; F202-V211 HydrophobicContact CE1-CG2 4.37Å; F202-V211 HydrophobicContact CE2-CG2 3.99Å; F202-V211 HydrophobicContact CG-CG2 3.48Å; F202-V211 VanDerWaalsContact CG-CG2 3.48Å; F202-V211 HydrophobicContact CZ-CG2 4.39Å; F202-I214 HydrophobicContact CZ-CD1 4.41Å; F202-L244 HydrophobicContact CE1-CD2 4.05Å; F202-L244 HydrophobicContact CZ-CD2 4.15Å; F202-I250 HydrophobicContact CZ-CD1 3.97Å
203	V	93.1	Very high	95.3	Very high	114 Å²	114	55 Å²	55	69%	0.691	30%	0.303	S	S	*	.			trans	-122.7	-26	-169.9	-64.2	0	0	0	0	113.2	E207	V203-E207 PolarHBondContact N-OE2 2.87Å
204	T	91.9	Very high	95.3	Very high	65 Å²	65	49.3 Å²	49.3	40%	0.399	28%	0.278	S	S	.	.	S	Bend	trans	-88.7	160.4	-178	69.9	0	0	0	0	112	A206 E207 R208	T204-A206 PolarHBondContact O-N 2.77Å; T204-E207 WeakPolarHBondContact CG2-OE2 3.5Å; T204-E207 PolarHBondContact N-OE2 2.94Å; T204-E207 PolarHBondContact O-N 3.08Å; T204-E207 WeakPolarHBondContact OG1-CB 3.5Å; T204-E207 VanDerWaalsContact OG1-CD 3.27Å; T204-E207 VanDerWaalsContact OG1-CG 3.23Å; T204-E207 WeakPolarHBondContact OG1-CG 3.34Å; T204-E207 PolarHBondContact OG1-N 3.28Å; T204-E207 VanDerWaalsContact OG1-N 3.14Å; T204-E207 PolarHBondContact OG1-OE2 2.93Å; T204-R208 PolarHBondContact O-N 3.13Å
205	T	88.5	Confident	95.4	Very high	77 Å²	77	49.6 Å²	49.6	47%	0.472	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-19.8	175.3	58.6	0	0	0	0	113.3	R64	R64-T205 WeakPolarHBondContact CD-O 3.43Å; R64-T205 PolarHBondContact NH1-O 3.36Å
206	A	90	Very high	95.4	Very high	56 Å²	56	55.1 Å²	55.1	46%	0.463	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-44.9	173.3	0	0	0	0	0	110.6	T204 R208 E209 I210	T204-A206 PolarHBondContact O-N 2.77Å; A206-R208 VanDerWaalsContact C-N 3.25Å; A206-R208 PolarHBondContact O-N 2.95Å; A206-E209 WeakPolarHBondContact O-CB 3.16Å; A206-E209 PolarHBondContact O-N 3.49Å; A206-I210 PolarHBondContact O-N 2.81Å
207	E	94.5	Very high	95.4	Very high	59 Å²	59	58.5 Å²	58.5	28%	0.276	31%	0.314	S	S	.	.	H	α-helix	trans	-60	-35.4	173.6	-78.2	166.1	166.6	0	0	112.5	F202 V203 T204 E209 I210 V211	F202-E207 HydrophobicContact CB-CB 3.93Å; F202-E207 HydrophobicContact CD1-CB 3.84Å; F202-E207 HydrophobicContact CD1-CG 4.11Å; F202-E207 HydrophobicContact CG-CB 4.38Å; V203-E207 PolarHBondContact N-OE2 2.87Å; T204-E207 WeakPolarHBondContact CG2-OE2 3.5Å; T204-E207 PolarHBondContact N-OE2 2.94Å; T204-E207 PolarHBondContact O-N 3.08Å; T204-E207 WeakPolarHBondContact OG1-CB 3.5Å; T204-E207 VanDerWaalsContact OG1-CD 3.27Å; T204-E207 VanDerWaalsContact OG1-CG 3.23Å; T204-E207 WeakPolarHBondContact OG1-CG 3.34Å; T204-E207 PolarHBondContact OG1-N 3.28Å; T204-E207 VanDerWaalsContact OG1-N 3.14Å; T204-E207 PolarHBondContact OG1-OE2 2.93Å; E207-E209 PolarHBondContact O-N 2.75Å; E207-I210 WeakPolarHBondContact O-CA 3.47Å; E207-I210 VanDerWaalsContact O-CB 3.28Å; E207-I210 WeakPolarHBondContact O-CB 3.39Å; E207-I210 PolarHBondContact O-N 3.01Å; E207-V211 PolarHBondContact O-N 2.8Å
208	R	95	Very high	95.6	Very high	33 Å²	33	54.5 Å²	54.5	13%	0.125	30%	0.296	C	S	.	.	H	α-helix	trans	-55.3	-33.4	171.6	-177.3	175.6	-170.8	-71.3	-8.7	113.3	R185 T188 D189 M192 T204 A206 V211 R212	R185-R208 PolarHBondContact O-NH2 2.97Å; T188-R208 HydrophobicContact CG2-CG 3.95Å; D189-R208 IonicContact OD1-CZ 3.02Å; D189-R208 IonicContact OD1-NE 3.62Å; D189-R208 PolarHBondContact OD1-NE 3.48Å; D189-R208 IonicContact OD1-NH2 3.35Å; D189-R208 PolarHBondContact OD1-NH2 2.85Å; D189-R208 IonicContact OD2-NH2 2.79Å; D189-R208 PolarHBondContact OD2-NH2 2.81Å; M192-R208 HydrophobicContact CE-CB 4.3Å; M192-R208 HydrophobicContact SD-CB 3.88Å; M192-R208 HydrophobicContact SD-CG 3.66Å; T204-R208 PolarHBondContact O-N 3.13Å; A206-R208 VanDerWaalsContact C-N 3.25Å; A206-R208 PolarHBondContact O-N 2.95Å; R208-V211 PolarHBondContact O-N 3.09Å; R208-R212 PolarHBondContact O-N 2.94Å
209	E	94.7	Very high	95.8	Very high	30 Å²	30	50.8 Å²	50.8	14%	0.14	28%	0.282	C	S	.	.	H	α-helix	trans	-74.1	-31.4	177.3	-61.8	-63.7	151.3	0	0	112.3	Q61 R64 A206 E207 V211 R212 D213	Q61-E209 PolarHBondContact NE2-OE1 2.89Å; Q61-E209 PolarHBondContact NE2-OE2 2.96Å; R64-E209 IonicContact CZ-OE1 2.72Å; R64-E209 IonicContact NH1-OE1 3.72Å; R64-E209 PolarHBondContact NH1-OE1 3.02Å; R64-E209 IonicContact NH2-OE1 3.22Å; R64-E209 PolarHBondContact NH2-OE1 2.94Å; A206-E209 WeakPolarHBondContact O-CB 3.16Å; A206-E209 PolarHBondContact O-N 3.49Å; E207-E209 PolarHBondContact O-N 2.75Å; E209-V211 VanDerWaalsContact C-N 3.3Å; E209-R212 PolarHBondContact O-N 2.89Å; E209-R212 IonicContact OE2-CZ 3.24Å; E209-R212 IonicContact OE2-NE 3.98Å; E209-R212 PolarHBondContact OE2-NE 3.26Å; E209-R212 IonicContact OE2-NH2 3.08Å; E209-D213 PolarHBondContact O-N 2.92Å
210	I	96.9	Very high	96	Very high	31 Å²	31	49.3 Å²	49.3	16%	0.159	26%	0.258	C	S	.	.	H	α-helix	trans	-62.1	-45.1	169.7	-54.7	174	0	0	0	108.8	F202 A206 E207 R212 D213 I214 Y242 L244 P245	F202-I210 HydrophobicContact CE1-CG2 4.34Å; A206-I210 PolarHBondContact O-N 2.81Å; E207-I210 WeakPolarHBondContact O-CA 3.47Å; E207-I210 VanDerWaalsContact O-CB 3.28Å; E207-I210 WeakPolarHBondContact O-CB 3.39Å; E207-I210 PolarHBondContact O-N 3.01Å; I210-R212 VanDerWaalsContact C-N 3.34Å; I210-R212 PolarHBondContact O-N 3.22Å; I210-D213 PolarHBondContact O-N 2.75Å; I210-D213 VanDerWaalsContact O-N 3.14Å; I210-I214 HydrophobicContact CG2-CD1 4.11Å; I210-I214 WeakPolarHBondContact O-CG1 3.16Å; I210-I214 PolarHBondContact O-N 2.96Å; I210-Y242 HydrophobicContact CG2-CE1 3.81Å; I210-L244 HydrophobicContact CG2-CD2 3.67Å; I210-P245 HydrophobicContact CD1-CG 3.85Å; I210-P245 HydrophobicContact CG1-CG 4.18Å
211	V	98.4	Very high	96.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.5	-37	178.1	-178.7	0	0	0	0	112.1	T188 L191 M192 L195 F202 E207 R208 E209 D213 I214 K215	T188-V211 HydrophobicContact CG2-CB 4.36Å; T188-V211 HydrophobicContact CG2-CG1 4.24Å; L191-V211 HydrophobicContact CB-CG1 3.78Å; L191-V211 HydrophobicContact CD2-CG1 3.71Å; L191-V211 HydrophobicContact CG-CG1 3.67Å; M192-V211 HydrophobicContact CB-CG1 4.48Å; M192-V211 HydrophobicContact CG-CB 3.8Å; M192-V211 HydrophobicContact CG-CG1 3.64Å; M192-V211 HydrophobicContact CG-CG2 3.79Å; L195-V211 HydrophobicContact CD1-CG1 3.94Å; L195-V211 HydrophobicContact CD1-CG2 4.04Å; F202-V211 HydrophobicContact CB-CG2 3.84Å; F202-V211 HydrophobicContact CD1-CG2 3.95Å; F202-V211 HydrophobicContact CD2-CG2 3.52Å; F202-V211 HydrophobicContact CE1-CG2 4.37Å; F202-V211 HydrophobicContact CE2-CG2 3.99Å; F202-V211 HydrophobicContact CG-CG2 3.48Å; F202-V211 VanDerWaalsContact CG-CG2 3.48Å; F202-V211 HydrophobicContact CZ-CG2 4.39Å; E207-V211 PolarHBondContact O-N 2.8Å; R208-V211 PolarHBondContact O-N 3.09Å; E209-V211 VanDerWaalsContact C-N 3.3Å; V211-D213 VanDerWaalsContact C-N 3.33Å; V211-D213 PolarHBondContact O-N 2.96Å; V211-I214 PolarHBondContact O-N 2.71Å; V211-K215 WeakPolarHBondContact O-CB 3.1Å; V211-K215 PolarHBondContact O-N 3.28Å
212	R	97.8	Very high	96.3	Very high	72 Å²	72	43.3 Å²	43.3	27%	0.272	22%	0.224	S	C	.	.	H	α-helix	trans	-59.9	-43.5	171.2	-173.3	-170	62.3	71.2	6.3	111.5	T188 R208 E209 I210 K215 E216	T188-R212 HydrophobicContact CG2-CB 4.02Å; R208-R212 PolarHBondContact O-N 2.94Å; E209-R212 PolarHBondContact O-N 2.89Å; E209-R212 IonicContact OE2-CZ 3.24Å; E209-R212 IonicContact OE2-NE 3.98Å; E209-R212 PolarHBondContact OE2-NE 3.26Å; E209-R212 IonicContact OE2-NH2 3.08Å; I210-R212 VanDerWaalsContact C-N 3.34Å; I210-R212 PolarHBondContact O-N 3.22Å; R212-K215 WeakPolarHBondContact O-CB 3.32Å; R212-K215 PolarHBondContact O-N 3.17Å; R212-E216 WeakPolarHBondContact CG-OE1 3.44Å; R212-E216 IonicContact CZ-OE1 3.19Å; R212-E216 IonicContact NH1-OE1 2.64Å; R212-E216 PolarHBondContact NH1-OE1 2.91Å; R212-E216 IonicContact NH1-OE2 3.08Å; R212-E216 PolarHBondContact NH1-OE2 3.16Å; R212-E216 WeakPolarHBondContact O-CG 3.31Å; R212-E216 PolarHBondContact O-N 3.48Å
213	D	98	Very high	96.4	Very high	33 Å²	33	47 Å²	47	18%	0.176	24%	0.244	C	C	.	.	H	α-helix	trans	-67.4	-40.9	178.2	-175.2	75.9	0	0	0	112.3	E209 I210 V211 K215 E216 K217 Y242	E209-D213 PolarHBondContact O-N 2.92Å; I210-D213 PolarHBondContact O-N 2.75Å; I210-D213 VanDerWaalsContact O-N 3.14Å; V211-D213 VanDerWaalsContact C-N 3.33Å; V211-D213 PolarHBondContact O-N 2.96Å; D213-K215 VanDerWaalsContact C-N 3.31Å; D213-K215 PolarHBondContact O-N 2.88Å; D213-E216 PolarHBondContact O-N 2.9Å; D213-K217 VanDerWaalsContact CG-NZ 3.27Å; D213-K217 WeakPolarHBondContact O-CB 3.44Å; D213-K217 WeakPolarHBondContact O-CG 3.19Å; D213-K217 PolarHBondContact O-N 2.87Å; D213-K217 WeakPolarHBondContact OD1-CE 3.38Å; D213-K217 IonicContact OD1-NZ 3.92Å; D213-K217 PolarHBondContact OD1-NZ 3.42Å; D213-K217 WeakPolarHBondContact OD2-CD 3.24Å; D213-K217 VanDerWaalsContact OD2-CE 3.31Å; D213-K217 WeakPolarHBondContact OD2-CE 3.25Å; D213-K217 IonicContact OD2-NZ 3.76Å; D213-K217 PolarHBondContact OD2-NZ 3.34Å; D213-Y242 VanDerWaalsContact OD2-CE2 3.29Å; D213-Y242 WeakPolarHBondContact OD2-CE2 3.22Å; D213-Y242 VanDerWaalsContact OD2-CZ 3.32Å; D213-Y242 PolarHBondContact OD2-OH 3.18Å
214	I	98.6	Very high	96.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-56.1	-48.5	171.2	-69.1	166.4	0	0	0	109.9	L191 L195 F202 I210 V211 K217 L218 Y242 I250 I252	L191-I214 HydrophobicContact CD2-CB 4.45Å; L191-I214 HydrophobicContact CD2-CG2 4.08Å; L195-I214 HydrophobicContact CD1-CD1 4.34Å; F202-I214 HydrophobicContact CZ-CD1 4.41Å; I210-I214 HydrophobicContact CG2-CD1 4.11Å; I210-I214 WeakPolarHBondContact O-CG1 3.16Å; I210-I214 PolarHBondContact O-N 2.96Å; V211-I214 PolarHBondContact O-N 2.71Å; I214-K217 PolarHBondContact O-N 3.06Å; I214-L218 HydrophobicContact CG2-CD1 4.36Å; I214-L218 WeakPolarHBondContact O-CB 3.41Å; I214-L218 PolarHBondContact O-N 3.28Å; I214-Y242 HydrophobicContact CB-CE2 4.49Å; I214-Y242 HydrophobicContact CD1-CD1 4.02Å; I214-Y242 HydrophobicContact CD1-CE1 4.14Å; I214-Y242 HydrophobicContact CD1-CG 4.33Å; I214-Y242 HydrophobicContact CG1-CD1 3.75Å; I214-Y242 HydrophobicContact CG1-CD2 3.68Å; I214-Y242 HydrophobicContact CG1-CE1 3.74Å; I214-Y242 HydrophobicContact CG1-CE2 3.64Å; I214-Y242 HydrophobicContact CG1-CG 3.72Å; I214-I250 HydrophobicContact CD1-CD1 4Å; I214-I252 HydrophobicContact CG2-CD1 4.36Å; I214-I252 HydrophobicContact CG2-CG1 4Å; I214-I252 HydrophobicContact CG2-CG2 4.46Å
215	K	98.6	Very high	97	Very high	7 Å²	7	42.3 Å²	42.3	3%	0.03	21%	0.213	C	C	.	.	H	α-helix	trans	-56.6	-52.6	179.1	-174.4	-169.6	71.7	178.8	0	111.3	G184 L187 T188 L191 V211 R212 D213 K217 C219 Y308	G184-K215 PolarHBondContact O-NZ 3.2Å; L187-K215 HydrophobicContact CB-CD 3.85Å; T188-K215 WeakPolarHBondContact OG1-CE 3.35Å; T188-K215 PolarHBondContact OG1-NZ 3.33Å; L191-K215 HydrophobicContact CD2-CB 3.6Å; L191-K215 HydrophobicContact CD2-CG 4.26Å; V211-K215 WeakPolarHBondContact O-CB 3.1Å; V211-K215 PolarHBondContact O-N 3.28Å; R212-K215 WeakPolarHBondContact O-CB 3.32Å; R212-K215 PolarHBondContact O-N 3.17Å; D213-K215 VanDerWaalsContact C-N 3.31Å; D213-K215 PolarHBondContact O-N 2.88Å; K215-K217 VanDerWaalsContact C-N 3.35Å; K215-K217 PolarHBondContact O-N 3.25Å; K215-C219 WeakPolarHBondContact O-CB 3.29Å; K215-C219 PolarHBondContact O-N 2.94Å; K215-C219 VanDerWaalsContact O-N 3.16Å; K215-Y308 VanDerWaalsContact CD-OH 3.25Å; K215-Y308 WeakPolarHBondContact CD-OH 3.3Å; K215-Y308 HydrophobicContact CG-CE1 4.27Å; K215-Y308 WeakPolarHBondContact CG-OH 3.24Å
216	E	98.2	Very high	97.4	Very high	115 Å²	115	44.7 Å²	44.7	54%	0.537	22%	0.218	S	C	.	.	H	α-helix	trans	-68.1	-32.4	-176.5	-72.5	173	-158.2	0	0	113	R212 D213	R212-E216 WeakPolarHBondContact CG-OE1 3.44Å; R212-E216 IonicContact CZ-OE1 3.19Å; R212-E216 IonicContact NH1-OE1 2.64Å; R212-E216 PolarHBondContact NH1-OE1 2.91Å; R212-E216 IonicContact NH1-OE2 3.08Å; R212-E216 PolarHBondContact NH1-OE2 3.16Å; R212-E216 WeakPolarHBondContact O-CG 3.31Å; R212-E216 PolarHBondContact O-N 3.48Å; D213-E216 PolarHBondContact O-N 2.9Å
217	K	98.4	Very high	97.8	Very high	136 Å²	136	46.7 Å²	46.7	59%	0.591	22%	0.221	S	C	*	.	H	α-helix	trans	-85.9	-37.5	-178.7	-73.5	178	179.5	159.7	0	114.2	D213 I214 K215 Y242	D213-K217 VanDerWaalsContact CG-NZ 3.27Å; D213-K217 WeakPolarHBondContact O-CB 3.44Å; D213-K217 WeakPolarHBondContact O-CG 3.19Å; D213-K217 PolarHBondContact O-N 2.87Å; D213-K217 WeakPolarHBondContact OD1-CE 3.38Å; D213-K217 IonicContact OD1-NZ 3.92Å; D213-K217 PolarHBondContact OD1-NZ 3.42Å; D213-K217 WeakPolarHBondContact OD2-CD 3.24Å; D213-K217 VanDerWaalsContact OD2-CE 3.31Å; D213-K217 WeakPolarHBondContact OD2-CE 3.25Å; D213-K217 IonicContact OD2-NZ 3.76Å; D213-K217 PolarHBondContact OD2-NZ 3.34Å; I214-K217 PolarHBondContact O-N 3.06Å; K215-K217 VanDerWaalsContact C-N 3.35Å; K215-K217 PolarHBondContact O-N 3.25Å; K217-Y242 HydrophobicContact CD-CE2 4.3Å
218	L	98.5	Very high	98	Very high	26 Å²	26	45.7 Å²	45.7	14%	0.136	22%	0.216	C	C	.	.	H	α-helix	trans	-115	-24.5	-164.7	-58.4	-172.1	0	0	0	114.2	I214 K240 Y242 I252 R256	I214-L218 HydrophobicContact CG2-CD1 4.36Å; I214-L218 WeakPolarHBondContact O-CB 3.41Å; I214-L218 PolarHBondContact O-N 3.28Å; L218-K240 HydrophobicContact CD1-CB 4.19Å; L218-K240 HydrophobicContact CD2-CB 4.22Å; L218-Y242 HydrophobicContact CD1-CD2 4Å; L218-Y242 HydrophobicContact CD1-CG 4.41Å; L218-I252 HydrophobicContact CD1-CB 4.39Å; L218-I252 HydrophobicContact CD1-CG1 3.9Å; L218-R256 HydrophobicContact CB-CG 4.45Å; L218-R256 VanDerWaalsContact O-CZ 3.3Å; L218-R256 PolarHBondContact O-NE 3.23Å; L218-R256 PolarHBondContact O-NH2 3Å
219	C	98.8	Very high	98.1	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.02	22%	0.223	C	C	.	.			trans	-77.3	152.6	-178.5	-68.2	0	0	0	0	112.4	K215 R256 P260 Y308	K215-C219 WeakPolarHBondContact O-CB 3.29Å; K215-C219 PolarHBondContact O-N 2.94Å; K215-C219 VanDerWaalsContact O-N 3.16Å; C219-R256 CarbonylContact C-O 3.15Å; C219-R256 WeakPolarHBondContact CA-O 3.39Å; C219-R256 WeakPolarHBondContact CB-O 3.48Å; C219-R256 PolarHBondContact SG-O 3.34Å; C219-R256 VanDerWaalsContact SG-O 3.37Å; C219-P260 HydrophobicContact CB-CG 4.42Å; C219-Y308 HydrophobicContact CB-CD1 4.09Å; C219-Y308 HydrophobicContact CB-CE1 3.56Å
220	Y	98.8	Very high	98.3	Very high	31 Å²	31	48 Å²	48	12%	0.122	24%	0.239	C	C	.	.			trans	-156.1	157.8	-179.1	65.5	-82.2	0	0	0	109.9	E228 R256 F257 P260	Y220-E228 PolarHBondContact OH-OE1 3.44Å; Y220-R256 HydrophobicContact CD1-CB 4.07Å; Y220-R256 HydrophobicContact CE1-CB 3.74Å; Y220-R256 PolarHBondContact N-O 2.9Å; Y220-F257 HydrophobicContact CD2-CB 4.4Å; Y220-F257 HydrophobicContact CE1-CB 4.28Å; Y220-F257 HydrophobicContact CE1-CD1 4.37Å; Y220-F257 HydrophobicContact CE2-CB 3.98Å; Y220-F257 AromaticContact CZ-CD1 3.87Å; Y220-F257 VanDerWaalsContact O-CA 3.3Å; Y220-F257 WeakPolarHBondContact O-CA 3.37Å; Y220-F257 WeakPolarHBondContact O-CB 3.35Å; Y220-F257 WeakPolarHBondContact OH-CD1 3.38Å; Y220-P260 WeakPolarHBondContact O-CG 3.22Å
221	V	98.9	Very high	98.3	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.024	24%	0.244	C	C	.	.			trans	-89.6	124.5	176.3	173.2	0	0	0	0	109.1	P260 F264 Y308 P309 I311 R314	V221-P260 HydrophobicContact CG2-CB 3.88Å; V221-P260 HydrophobicContact CG2-CG 4.31Å; V221-F264 HydrophobicContact CG1-CD2 4.39Å; V221-F264 HydrophobicContact CG1-CE2 3.6Å; V221-F264 HydrophobicContact CG1-CZ 4.03Å; V221-F264 HydrophobicContact CG2-CE2 4.06Å; V221-Y308 HydrophobicContact CG2-CD2 4.39Å; V221-Y308 HydrophobicContact CG2-CG 4.34Å; V221-P309 PolarHBondContact N-O 2.86Å; V221-I311 HydrophobicContact CB-CB 4.3Å; V221-I311 HydrophobicContact CG2-CB 3.93Å; V221-I311 HydrophobicContact CG2-CG1 4.1Å; V221-R314 HydrophobicContact CG1-CB 3.47Å; V221-R314 VanDerWaalsContact CG1-CB 3.47Å; V221-R314 HydrophobicContact CG1-CG 3.67Å
222	A	98.6	Very high	98.2	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.008	25%	0.254	C	S	.	.			trans	-73.6	141	172.4	0	0	0	0	0	110.9	D224 E228 F257 R314	A222-D224 VanDerWaalsContact C-N 3.33Å; A222-E228 HydrophobicContact CB-CB 3.73Å; A222-E228 HydrophobicContact CB-CG 3.8Å; A222-F257 HydrophobicContact CB-CB 4.21Å; A222-F257 HydrophobicContact CB-CD2 4.32Å; A222-F257 HydrophobicContact CB-CG 4.46Å; A222-R314 WeakPolarHBondContact O-CD 3.48Å; A222-R314 PolarHBondContact O-NH1 2.85Å
223	L	98.5	Very high	98.2	Very high	93 Å²	93	50.7 Å²	50.7	49%	0.487	28%	0.277	S	S	.	.	S	Bend	trans	-70.3	-33.7	175	-176.3	65	0	0	0	111.7	D313 R314 K317	L223-D313 HydrophobicContact CD1-CB 4.12Å; L223-R314 WeakPolarHBondContact O-CD 3.33Å; L223-K317 HydrophobicContact CD1-CB 4.1Å; L223-K317 HydrophobicContact CD1-CD 3.99Å; L223-K317 HydrophobicContact CG-CD 4.29Å; L223-K317 WeakPolarHBondContact O-CD 3.32Å; L223-K317 PolarHBondContact O-NZ 2.76Å
224	D	98.4	Very high	98.1	Very high	67 Å²	67	54 Å²	54	36%	0.358	30%	0.303	S	S	.	.	S	Bend	trans	-137.7	104.2	175.4	-166.5	-62.9	0	0	0	108.8	A222 E226 N227 E228 K317	A222-D224 VanDerWaalsContact C-N 3.33Å; D224-E226 PolarHBondContact O-N 3.11Å; D224-E226 PolarHBondContact OD1-N 3.36Å; D224-N227 HydrophobicContact CB-CB 4.01Å; D224-N227 PolarHBondContact O-N 3.29Å; D224-N227 PolarHBondContact OD1-N 2.83Å; D224-N227 VanDerWaalsContact OD1-N 3.08Å; D224-E228 WeakPolarHBondContact O-CB 3.35Å; D224-E228 PolarHBondContact O-N 2.81Å; D224-K317 IonicContact OD2-NZ 3.85Å; D224-K317 PolarHBondContact OD2-NZ 2.94Å; D224-K317 VanDerWaalsContact OD2-NZ 3.16Å
225	F	98.1	Very high	97.9	Very high	15 Å²	15	56.4 Å²	56.4	7%	0.066	32%	0.32	C	S	.	.	H	α-helix	trans	-60.9	-43.6	-172.1	178	-102.9	0	0	0	112.6	E228 M229 F257 R258 E261 F268	F225-E228 PolarHBondContact O-N 3.07Å; F225-M229 HydrophobicContact CD1-CG 4.27Å; F225-M229 HydrophobicContact CE1-CG 3.78Å; F225-M229 HydrophobicContact CE2-CG 4.1Å; F225-M229 HydrophobicContact CE2-SD 4.36Å; F225-M229 HydrophobicContact CZ-CG 3.69Å; F225-M229 HydrophobicContact CZ-SD 4.01Å; F225-M229 WeakPolarHBondContact O-CB 3.37Å; F225-M229 WeakPolarHBondContact O-CG 3.3Å; F225-M229 PolarHBondContact O-N 2.98Å; F225-F257 AromaticContact CD2-CD2 3.93Å; F225-F257 HydrophobicContact CD2-CD2 3.93Å; F225-F257 HydrophobicContact CD2-CE2 4.2Å; F225-F257 AromaticContact CE2-CD2 3.86Å; F225-F257 HydrophobicContact CE2-CD2 3.86Å; F225-F257 AromaticContact CE2-CE2 3.97Å; F225-F257 HydrophobicContact CE2-CE2 3.97Å; F225-R258 HydrophobicContact CE2-CG 3.97Å; F225-R258 HydrophobicContact CZ-CG 4.09Å; F225-E261 HydrophobicContact CB-CG 4.41Å; F225-E261 HydrophobicContact CD1-CG 4.36Å; F225-E261 HydrophobicContact CD2-CB 3.8Å; F225-E261 HydrophobicContact CD2-CG 3.42Å; F225-E261 VanDerWaalsContact CD2-CG 3.42Å; F225-E261 HydrophobicContact CE2-CB 3.79Å; F225-E261 HydrophobicContact CE2-CG 3.67Å; F225-E261 HydrophobicContact CG-CG 3.8Å; F225-E261 HydrophobicContact CZ-CG 4.24Å; F225-F268 AromaticContact CE1-CE2 3.82Å; F225-F268 HydrophobicContact CE1-CE2 3.82Å; F225-F268 AromaticContact CE1-CZ 3.85Å; F225-F268 HydrophobicContact CE1-CZ 3.85Å; F225-F268 HydrophobicContact CE2-CE2 4.34Å; F225-F268 AromaticContact CZ-CE2 3.67Å; F225-F268 HydrophobicContact CZ-CE2 3.67Å; F225-F268 HydrophobicContact CZ-CZ 4.14Å
226	E	97.9	Very high	97.7	Very high	126 Å²	126	59.9 Å²	59.9	59%	0.589	35%	0.345	S	S	*	.	H	α-helix	trans	-67.8	-41.9	-177.7	-63.2	-57.2	150.7	0	0	111.6	D224 M229 A230	D224-E226 PolarHBondContact O-N 3.11Å; D224-E226 PolarHBondContact OD1-N 3.36Å; E226-M229 WeakPolarHBondContact O-CB 3.31Å; E226-M229 PolarHBondContact O-N 3Å; E226-A230 PolarHBondContact O-N 3.02Å
227	N	98	Very high	97.6	Very high	99 Å²	99	58.3 Å²	58.3	53%	0.529	35%	0.347	S	S	.	.	H	α-helix	trans	-65.6	-38.9	175	-176.9	60.4	0	0	0	112.3	D224 A230 T231	D224-N227 HydrophobicContact CB-CB 4.01Å; D224-N227 PolarHBondContact O-N 3.29Å; D224-N227 PolarHBondContact OD1-N 2.83Å; D224-N227 VanDerWaalsContact OD1-N 3.08Å; N227-A230 PolarHBondContact O-N 3.06Å; N227-T231 PolarHBondContact O-N 3.38Å; N227-T231 PolarHBondContact O-OG1 2.97Å
228	E	98.2	Very high	97.5	Very high	37 Å²	37	53 Å²	53	17%	0.173	33%	0.325	C	S	.	.	H	α-helix	trans	-65.3	-39.7	175.8	-155	77.5	-136.9	0	0	111.1	Y220 A222 D224 F225 T231 A232 L238 F257	Y220-E228 PolarHBondContact OH-OE1 3.44Å; A222-E228 HydrophobicContact CB-CB 3.73Å; A222-E228 HydrophobicContact CB-CG 3.8Å; D224-E228 WeakPolarHBondContact O-CB 3.35Å; D224-E228 PolarHBondContact O-N 2.81Å; F225-E228 PolarHBondContact O-N 3.07Å; E228-T231 PolarHBondContact O-N 3.12Å; E228-A232 WeakPolarHBondContact O-CB 3.37Å; E228-A232 PolarHBondContact O-N 2.78Å; E228-L238 HydrophobicContact CG-CD1 4.01Å; E228-L238 WeakPolarHBondContact OE1-CD1 3.39Å; E228-L238 VanDerWaalsContact OE1-CD2 3.29Å; E228-L238 WeakPolarHBondContact OE1-CD2 3.46Å; E228-F257 HydrophobicContact CB-CD2 4.07Å; E228-F257 HydrophobicContact CB-CE1 4.43Å; E228-F257 HydrophobicContact CB-CE2 3.8Å; E228-F257 HydrophobicContact CB-CZ 3.99Å; E228-F257 HydrophobicContact CG-CD1 3.73Å; E228-F257 HydrophobicContact CG-CD2 3.9Å; E228-F257 HydrophobicContact CG-CE1 3.66Å; E228-F257 HydrophobicContact CG-CE2 3.85Å; E228-F257 HydrophobicContact CG-CG 3.83Å; E228-F257 HydrophobicContact CG-CZ 3.73Å; E228-F257 WeakPolarHBondContact O-CZ 3.36Å
229	M	98	Very high	97.4	Very high	54 Å²	54	55.5 Å²	55.5	27%	0.266	34%	0.336	S	S	.	.	H	α-helix	trans	-60.6	-46.2	172.5	-79.4	-59.7	-65.7	0	0	112.2	F225 E226 T231 A232 A233 N254 F257 R258	F225-M229 HydrophobicContact CD1-CG 4.27Å; F225-M229 HydrophobicContact CE1-CG 3.78Å; F225-M229 HydrophobicContact CE2-CG 4.1Å; F225-M229 HydrophobicContact CE2-SD 4.36Å; F225-M229 HydrophobicContact CZ-CG 3.69Å; F225-M229 HydrophobicContact CZ-SD 4.01Å; F225-M229 WeakPolarHBondContact O-CB 3.37Å; F225-M229 WeakPolarHBondContact O-CG 3.3Å; F225-M229 PolarHBondContact O-N 2.98Å; E226-M229 WeakPolarHBondContact O-CB 3.31Å; E226-M229 PolarHBondContact O-N 3Å; M229-T231 VanDerWaalsContact C-N 3.3Å; M229-T231 PolarHBondContact O-N 3.28Å; M229-A232 PolarHBondContact O-N 2.94Å; M229-A233 WeakPolarHBondContact O-CB 3.4Å; M229-A233 PolarHBondContact O-N 3.16Å; M229-N254 HydrophobicContact SD-CB 4.25Å; M229-F257 HydrophobicContact CG-CE2 3.81Å; M229-F257 HydrophobicContact CG-CZ 4.32Å; M229-F257 HydrophobicContact SD-CE2 3.55Å; M229-F257 VanDerWaalsContact SD-CE2 3.55Å; M229-F257 HydrophobicContact SD-CZ 3.78Å; M229-R258 HydrophobicContact SD-CG 3.91Å
230	A	98.1	Very high	97.4	Very high	58 Å²	58	60.5 Å²	60.5	48%	0.479	36%	0.357	S	S	.	.	H	α-helix	trans	-62.4	-38.7	177	0	0	0	0	0	112.1	E226 N227 A233 S234	E226-A230 PolarHBondContact O-N 3.02Å; N227-A230 PolarHBondContact O-N 3.06Å; A230-A233 PolarHBondContact O-N 2.74Å; A230-S234 PolarHBondContact O-N 2.69Å; A230-S234 PolarHBondContact O-OG 3.15Å
231	T	97.8	Very high	97.3	Very high	42 Å²	42	62.9 Å²	62.9	26%	0.258	38%	0.378	S	S	.	.	H	α-helix	trans	-65.4	-46	175.1	-57.5	0	0	0	0	110.9	N227 E228 M229 A233 S234 S235 L238	N227-T231 PolarHBondContact O-N 3.38Å; N227-T231 PolarHBondContact O-OG1 2.97Å; E228-T231 PolarHBondContact O-N 3.12Å; M229-T231 VanDerWaalsContact C-N 3.3Å; M229-T231 PolarHBondContact O-N 3.28Å; T231-A233 VanDerWaalsContact C-N 3.26Å; T231-A233 PolarHBondContact O-N 3.47Å; T231-S234 PolarHBondContact O-N 3.01Å; T231-S234 PolarHBondContact O-OG 2.8Å; T231-S235 WeakPolarHBondContact O-CB 3.5Å; T231-S235 PolarHBondContact O-N 3.44Å; T231-L238 HydrophobicContact CG2-CD1 3.89Å; T231-L238 HydrophobicContact CG2-CG 4.22Å
232	A	96.9	Very high	97.3	Very high	26 Å²	26	64.1 Å²	64.1	22%	0.215	38%	0.383	C	S	.	.	H	α-helix	trans	-64.4	-29.5	178.2	0	0	0	0	0	113.4	E228 M229 L238 N254 F257	E228-A232 WeakPolarHBondContact O-CB 3.37Å; E228-A232 PolarHBondContact O-N 2.78Å; M229-A232 PolarHBondContact O-N 2.94Å; A232-L238 HydrophobicContact CB-CD1 3.99Å; A232-N254 HydrophobicContact CB-CB 3.88Å; A232-F257 HydrophobicContact CB-CE1 4Å; A232-F257 HydrophobicContact CB-CZ 3.89Å
233	A	96.5	Very high	97.3	Very high	92 Å²	92	70.6 Å²	70.6	76%	0.76	41%	0.413	S	S	*	.	H	α-helix	trans	-75.6	-25.1	176.7	0	0	0	0	0	113.2	M229 A230 T231	M229-A233 WeakPolarHBondContact O-CB 3.4Å; M229-A233 PolarHBondContact O-N 3.16Å; A230-A233 PolarHBondContact O-N 2.74Å; T231-A233 VanDerWaalsContact C-N 3.26Å; T231-A233 PolarHBondContact O-N 3.47Å
234	S	96.1	Very high	97.2	Very high	103 Å²	103	67 Å²	67	72%	0.72	39%	0.394	S	S	*	.	H	α-helix	trans	-106.5	-13.3	-175.2	56.4	0	0	0	0	114.2	A230 T231	A230-S234 PolarHBondContact O-N 2.69Å; A230-S234 PolarHBondContact O-OG 3.15Å; T231-S234 PolarHBondContact O-N 3.01Å; T231-S234 PolarHBondContact O-OG 2.8Å
235	S	94	Very high	96.9	Very high	49 Å²	49	69 Å²	69	34%	0.343	41%	0.411	S	S	.	.			trans	-147	143.2	-173.8	178.9	0	0	0	0	112.1	T231 S237	T231-S235 WeakPolarHBondContact O-CB 3.5Å; T231-S235 PolarHBondContact O-N 3.44Å; S235-S237 VanDerWaalsContact C-N 3.26Å; S235-S237 VanDerWaalsContact OG-CB 3.23Å; S235-S237 WeakPolarHBondContact OG-CB 3.5Å; S235-S237 PolarHBondContact OG-N 3.15Å; S235-S237 PolarHBondContact OG-OG 3Å
236	S	94.6	Very high	96.7	Very high	81 Å²	81	74 Å²	74	57%	0.566	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-84.2	3.9	169.4	58.2	0	0	0	0	113.5	L238 E239	S236-L238 PolarHBondContact O-N 3.35Å; S236-E239 WeakPolarHBondContact CB-OE2 3.31Å; S236-E239 VanDerWaalsContact O-CB 3.32Å; S236-E239 WeakPolarHBondContact O-CB 3.44Å; S236-E239 WeakPolarHBondContact O-CG 3.49Å; S236-E239 PolarHBondContact O-N 3.36Å
237	S	95.7	Very high	96.6	Very high	81 Å²	81	69.8 Å²	69.8	57%	0.566	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-59.9	-22.1	-177.5	56.4	0	0	0	0	114.3	S235	S235-S237 VanDerWaalsContact C-N 3.26Å; S235-S237 VanDerWaalsContact OG-CB 3.23Å; S235-S237 WeakPolarHBondContact OG-CB 3.5Å; S235-S237 PolarHBondContact OG-N 3.15Å; S235-S237 PolarHBondContact OG-OG 3Å
238	L	96.4	Very high	96.5	Very high	25 Å²	25	70 Å²	70	13%	0.131	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-90.4	-7.2	177.9	-58.5	-179.9	0	0	0	113	E228 T231 A232 S236 R256 F257	E228-L238 HydrophobicContact CG-CD1 4.01Å; E228-L238 WeakPolarHBondContact OE1-CD1 3.39Å; E228-L238 VanDerWaalsContact OE1-CD2 3.29Å; E228-L238 WeakPolarHBondContact OE1-CD2 3.46Å; T231-L238 HydrophobicContact CG2-CD1 3.89Å; T231-L238 HydrophobicContact CG2-CG 4.22Å; A232-L238 HydrophobicContact CB-CD1 3.99Å; S236-L238 PolarHBondContact O-N 3.35Å; L238-R256 PolarHBondContact O-NH1 3.18Å; L238-F257 HydrophobicContact CD1-CE1 4.08Å
239	E	97.6	Very high	96.5	Very high	78 Å²	78	72.3 Å²	72.3	36%	0.364	44%	0.443	S	S	.	.			trans	-73.3	146.1	179.5	-60.1	-169.2	142.2	0	0	111.7	R198 S236 T251 I252	R198-E239 IonicContact CZ-OE1 3.43Å; R198-E239 IonicContact NH2-OE1 2.72Å; R198-E239 PolarHBondContact NH2-OE1 3.25Å; S236-E239 WeakPolarHBondContact CB-OE2 3.31Å; S236-E239 VanDerWaalsContact O-CB 3.32Å; S236-E239 WeakPolarHBondContact O-CB 3.44Å; S236-E239 WeakPolarHBondContact O-CG 3.49Å; S236-E239 PolarHBondContact O-N 3.36Å; E239-T251 HydrophobicContact CB-CG2 3.79Å; E239-T251 HydrophobicContact CG-CG2 4.2Å; E239-I252 WeakPolarHBondContact CA-O 3.37Å
240	K	98.1	Very high	96.5	Very high	108 Å²	108	69.8 Å²	69.8	47%	0.47	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	139.6	171.9	-70.4	-67.4	-178.5	-177.1	0	110.3	L218 I252 R256	L218-K240 HydrophobicContact CD1-CB 4.19Å; L218-K240 HydrophobicContact CD2-CB 4.22Å; K240-I252 PolarHBondContact N-O 3.11Å; K240-I252 PolarHBondContact O-N 2.97Å; K240-R256 VanDerWaalsContact CG-NH1 3.32Å
241	S	97.4	Very high	96.5	Very high	82 Å²	82	69 Å²	69	57%	0.573	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	146.2	171.9	-53.7	0	0	0	0	110.8	I250	S241-I250 CarbonylContact C-O 3.54Å; S241-I250 VanDerWaalsContact CA-O 3.29Å; S241-I250 WeakPolarHBondContact CA-O 3.5Å
242	Y	98.2	Very high	96.5	Very high	30 Å²	30	67 Å²	67	12%	0.118	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	131.8	173	-176.2	-86.4	0	0	0	108.9	I210 D213 I214 K217 L218 L244 V249 I250	I210-Y242 HydrophobicContact CG2-CE1 3.81Å; D213-Y242 VanDerWaalsContact OD2-CE2 3.29Å; D213-Y242 WeakPolarHBondContact OD2-CE2 3.22Å; D213-Y242 VanDerWaalsContact OD2-CZ 3.32Å; D213-Y242 PolarHBondContact OD2-OH 3.18Å; I214-Y242 HydrophobicContact CB-CE2 4.49Å; I214-Y242 HydrophobicContact CD1-CD1 4.02Å; I214-Y242 HydrophobicContact CD1-CE1 4.14Å; I214-Y242 HydrophobicContact CD1-CG 4.33Å; I214-Y242 HydrophobicContact CG1-CD1 3.75Å; I214-Y242 HydrophobicContact CG1-CD2 3.68Å; I214-Y242 HydrophobicContact CG1-CE1 3.74Å; I214-Y242 HydrophobicContact CG1-CE2 3.64Å; I214-Y242 HydrophobicContact CG1-CG 3.72Å; K217-Y242 HydrophobicContact CD-CE2 4.3Å; L218-Y242 HydrophobicContact CD1-CD2 4Å; L218-Y242 HydrophobicContact CD1-CG 4.41Å; Y242-L244 HydrophobicContact CD1-CD2 4.08Å; Y242-L244 HydrophobicContact CE1-CD2 4.07Å; Y242-V249 WeakPolarHBondContact O-CA 3.12Å; Y242-I250 HydrophobicContact CD1-CG1 4.41Å; Y242-I250 PolarHBondContact N-O 3.37Å; Y242-I250 PolarHBondContact O-N 2.93Å
243	E	98.1	Very high	96.5	Very high	136 Å²	136	65.9 Å²	65.9	64%	0.636	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	119	177.5	-171.3	177.6	162.6	0	0	109.7	V249	E243-V249 HydrophobicContact CB-CG2 4.42Å; E243-V249 HydrophobicContact CG-CG2 4.35Å
244	L	96.5	Very high	96.6	Very high	18 Å²	18	63.3 Å²	63.3	9%	0.094	37%	0.372	C	S	.	.			trans	-72.5	159.5	175.2	-64.8	178.4	0	0	0	110.6	F202 I210 Y242 D246 G247 Q248 I250	F202-L244 HydrophobicContact CE1-CD2 4.05Å; F202-L244 HydrophobicContact CZ-CD2 4.15Å; I210-L244 HydrophobicContact CG2-CD2 3.67Å; Y242-L244 HydrophobicContact CD1-CD2 4.08Å; Y242-L244 HydrophobicContact CE1-CD2 4.07Å; L244-D246 VanDerWaalsContact CB-OD1 3.23Å; L244-D246 WeakPolarHBondContact CB-OD1 3.39Å; L244-D246 PolarHBondContact O-N 3.19Å; L244-G247 WeakPolarHBondContact O-CA 3.48Å; L244-G247 PolarHBondContact O-N 3.34Å; L244-Q248 HydrophobicContact CB-CB 4.44Å; L244-Q248 VanDerWaalsContact CB-O 3.3Å; L244-Q248 WeakPolarHBondContact CB-O 3.33Å; L244-Q248 HydrophobicContact CD1-CB 4.17Å; L244-Q248 HydrophobicContact CD1-CG 4.37Å; L244-Q248 WeakPolarHBondContact CG-O 3.1Å; L244-Q248 PolarHBondContact N-O 2.84Å; L244-I250 HydrophobicContact CD1-CG2 3.73Å; L244-I250 HydrophobicContact CD2-CD1 3.94Å; L244-I250 HydrophobicContact CD2-CG1 4.41Å; L244-I250 HydrophobicContact CG-CD1 4.34Å; L244-I250 HydrophobicContact CG-CG1 4.37Å; L244-I250 HydrophobicContact CG-CG2 4.19Å
245	P	93.6	Very high	96.7	Very high	109 Å²	109	58.7 Å²	58.7	71%	0.708	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.4	-179.4	-26.7	36.2	0	0	0	115.7	I210 G247	I210-P245 HydrophobicContact CD1-CG 3.85Å; I210-P245 HydrophobicContact CG1-CG 4.18Å; P245-G247 VanDerWaalsContact C-N 3.31Å
246	D	93.9	Very high	96.9	Very high	119 Å²	119	57.9 Å²	57.9	64%	0.636	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	1.8	174.9	63.4	-1	0	0	0	113.4	L244 Q248	L244-D246 VanDerWaalsContact CB-OD1 3.23Å; L244-D246 WeakPolarHBondContact CB-OD1 3.39Å; L244-D246 PolarHBondContact O-N 3.19Å; D246-Q248 VanDerWaalsContact C-N 3.33Å; D246-Q248 VanDerWaalsContact OD1-CB 3.27Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.49Å; D246-Q248 PolarHBondContact OD1-N 3.22Å
247	G	95.6	Very high	97.1	Very high	39 Å²	39	54 Å²	54	40%	0.402	30%	0.302	S	S	.	.	S	Bend	trans	85.7	-3.2	-177.3	0	0	0	0	0	114.2	L244 P245 V249	L244-G247 WeakPolarHBondContact O-CA 3.48Å; L244-G247 PolarHBondContact O-N 3.34Å; P245-G247 VanDerWaalsContact C-N 3.31Å; G247-V249 PolarHBondContact O-N 2.9Å
248	Q	96.1	Very high	97.2	Very high	104 Å²	104	52.4 Å²	52.4	49%	0.486	28%	0.283	S	S	.	.			trans	-69.1	130	175.5	-180	179.5	-3.6	0	0	110.2	L244 D246 I250	L244-Q248 HydrophobicContact CB-CB 4.44Å; L244-Q248 VanDerWaalsContact CB-O 3.3Å; L244-Q248 WeakPolarHBondContact CB-O 3.33Å; L244-Q248 HydrophobicContact CD1-CB 4.17Å; L244-Q248 HydrophobicContact CD1-CG 4.37Å; L244-Q248 WeakPolarHBondContact CG-O 3.1Å; L244-Q248 PolarHBondContact N-O 2.84Å; D246-Q248 VanDerWaalsContact C-N 3.33Å; D246-Q248 VanDerWaalsContact OD1-CB 3.27Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.49Å; D246-Q248 PolarHBondContact OD1-N 3.22Å; Q248-I250 HydrophobicContact CG-CG2 4.45Å
249	V	97.6	Very high	97.4	Very high	84 Å²	84	51.2 Å²	51.2	51%	0.509	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.1	175.3	-177.7	0	0	0	0	110.2	Y242 E243 G247	Y242-V249 WeakPolarHBondContact O-CA 3.12Å; E243-V249 HydrophobicContact CB-CG2 4.42Å; E243-V249 HydrophobicContact CG-CG2 4.35Å; G247-V249 PolarHBondContact O-N 2.9Å
250	I	97.4	Very high	97.4	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	157.9	174.1	63.7	171.1	0	0	0	110.8	Y200 F202 I214 S241 Y242 L244 Q248 I252	Y200-I250 HydrophobicContact CD1-CB 4.28Å; Y200-I250 HydrophobicContact CD1-CG2 3.8Å; Y200-I250 HydrophobicContact CD2-CB 4.34Å; Y200-I250 HydrophobicContact CD2-CD1 4.49Å; Y200-I250 HydrophobicContact CE1-CB 3.87Å; Y200-I250 HydrophobicContact CE1-CG2 3.55Å; Y200-I250 HydrophobicContact CE2-CB 3.93Å; Y200-I250 HydrophobicContact CE2-CG2 4.47Å; Y200-I250 HydrophobicContact CG-CG2 4.37Å; F202-I250 HydrophobicContact CZ-CD1 3.97Å; I214-I250 HydrophobicContact CD1-CD1 4Å; S241-I250 CarbonylContact C-O 3.54Å; S241-I250 VanDerWaalsContact CA-O 3.29Å; S241-I250 WeakPolarHBondContact CA-O 3.5Å; Y242-I250 HydrophobicContact CD1-CG1 4.41Å; Y242-I250 PolarHBondContact N-O 3.37Å; Y242-I250 PolarHBondContact O-N 2.93Å; L244-I250 HydrophobicContact CD1-CG2 3.73Å; L244-I250 HydrophobicContact CD2-CD1 3.94Å; L244-I250 HydrophobicContact CD2-CG1 4.41Å; L244-I250 HydrophobicContact CG-CD1 4.34Å; L244-I250 HydrophobicContact CG-CG1 4.37Å; L244-I250 HydrophobicContact CG-CG2 4.19Å; Q248-I250 HydrophobicContact CG-CG2 4.45Å; I250-I252 HydrophobicContact CD1-CD1 3.61Å; I250-I252 HydrophobicContact CG1-CD1 3.86Å
251	T	97.8	Very high	97.4	Very high	42 Å²	42	42.3 Å²	42.3	26%	0.258	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.5	179.9	-60.2	0	0	0	0	110.5	R198 Y200 E239	R198-T251 WeakPolarHBondContact CD-O 3.36Å; R198-T251 PolarHBondContact NE-O 2.94Å; Y200-T251 WeakPolarHBondContact CE2-O 3.4Å; Y200-T251 PolarHBondContact OH-N 2.81Å; E239-T251 HydrophobicContact CB-CG2 3.79Å; E239-T251 HydrophobicContact CG-CG2 4.2Å
252	I	98.2	Very high	97.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.1	177.8	-40.6	-50.1	0	0	0	108.4	L195 I214 L218 E239 K240 I250 E255 R256	L195-I252 HydrophobicContact CD2-CD1 3.73Å; L195-I252 HydrophobicContact CD2-CG2 4.21Å; I214-I252 HydrophobicContact CG2-CD1 4.36Å; I214-I252 HydrophobicContact CG2-CG1 4Å; I214-I252 HydrophobicContact CG2-CG2 4.46Å; L218-I252 HydrophobicContact CD1-CB 4.39Å; L218-I252 HydrophobicContact CD1-CG1 3.9Å; E239-I252 WeakPolarHBondContact CA-O 3.37Å; K240-I252 PolarHBondContact N-O 3.11Å; K240-I252 PolarHBondContact O-N 2.97Å; I250-I252 HydrophobicContact CD1-CD1 3.61Å; I250-I252 HydrophobicContact CG1-CD1 3.86Å; I252-E255 HydrophobicContact CG2-CB 4.11Å; I252-R256 HydrophobicContact CB-CG 4.1Å; I252-R256 HydrophobicContact CG2-CG 3.6Å; I252-R256 WeakPolarHBondContact O-CD 3.38Å
253	G	97.9	Very high	97.5	Very high	3 Å²	3	37 Å²	37	3%	0.031	21%	0.205	C	C	.	.			trans	-107.9	-117.2	-176.1	0	0	0	0	0	112.3	E255 R256	G253-E255 VanDerWaalsContact C-OE2 3.24Å; G253-E255 VanDerWaalsContact CA-OE2 3.28Å; G253-E255 WeakPolarHBondContact CA-OE2 3.19Å; G253-E255 PolarHBondContact N-OE2 3.43Å; G253-E255 PolarHBondContact O-N 2.72Å; G253-R256 WeakPolarHBondContact O-CB 3.45Å; G253-R256 WeakPolarHBondContact O-CG 3.46Å; G253-R256 PolarHBondContact O-N 3.3Å
254	N	97.8	Very high	97.5	Very high	37 Å²	37	30.7 Å²	30.7	20%	0.198	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-15.2	-177.1	66.7	29.9	0	0	0	113.7	M229 A232 R256 F257 R258	M229-N254 HydrophobicContact SD-CB 4.25Å; A232-N254 HydrophobicContact CB-CB 3.88Å; N254-R256 PolarHBondContact O-N 3Å; N254-R256 VanDerWaalsContact O-N 3.11Å; N254-F257 VanDerWaalsContact CA-CE1 3.49Å; N254-F257 HydrophobicContact CB-CE1 3.68Å; N254-F257 HydrophobicContact CB-CE2 4.44Å; N254-F257 HydrophobicContact CB-CZ 3.61Å; N254-F257 PolarHBondContact O-N 3.23Å; N254-F257 VanDerWaalsContact O-N 3.13Å; N254-R258 HydrophobicContact CB-CG 4.49Å; N254-R258 WeakPolarHBondContact O-CB 3.29Å; N254-R258 WeakPolarHBondContact O-CG 3.34Å; N254-R258 PolarHBondContact O-N 3.43Å; N254-R258 WeakPolarHBondContact OD1-CD 3.28Å; N254-R258 PolarHBondContact OD1-NH1 3.12Å
255	E	98.4	Very high	97.6	Very high	7 Å²	7	32.9 Å²	32.9	3%	0.033	19%	0.185	C	C	.	.	H	α-helix	trans	-58.3	-26.9	174.5	-54.5	78.1	-163.4	0	0	111.3	L191 I194 L195 R198 I252 G253 F257 C259	L191-E255 HydrophobicContact CD1-CB 3.92Å; I194-E255 HydrophobicContact CB-CG 4.16Å; I194-E255 HydrophobicContact CD1-CB 3.67Å; I194-E255 HydrophobicContact CD1-CG 4.02Å; I194-E255 HydrophobicContact CG1-CB 3.86Å; I194-E255 HydrophobicContact CG1-CG 3.79Å; L195-E255 HydrophobicContact CD2-CB 4.46Å; L195-E255 HydrophobicContact CD2-CG 4.39Å; R198-E255 WeakPolarHBondContact CD-OE1 3.33Å; R198-E255 IonicContact CZ-OE1 2.94Å; R198-E255 IonicContact CZ-OE2 2.97Å; R198-E255 IonicContact NH1-OE1 3.26Å; R198-E255 PolarHBondContact NH1-OE1 2.99Å; R198-E255 VanDerWaalsContact NH1-OE1 3.08Å; R198-E255 IonicContact NH1-OE2 3.21Å; R198-E255 PolarHBondContact NH1-OE2 2.91Å; I252-E255 HydrophobicContact CG2-CB 4.11Å; G253-E255 VanDerWaalsContact C-OE2 3.24Å; G253-E255 VanDerWaalsContact CA-OE2 3.28Å; G253-E255 WeakPolarHBondContact CA-OE2 3.19Å; G253-E255 PolarHBondContact N-OE2 3.43Å; G253-E255 PolarHBondContact O-N 2.72Å; E255-F257 VanDerWaalsContact C-N 3.31Å; E255-F257 PolarHBondContact O-N 2.68Å; E255-C259 VanDerWaalsContact O-CB 3.29Å; E255-C259 WeakPolarHBondContact O-CB 3.42Å; E255-C259 PolarHBondContact O-N 3.1Å; E255-C259 VanDerWaalsContact O-N 3.13Å
256	R	98.7	Very high	97.8	Very high	31 Å²	31	27.9 Å²	27.9	12%	0.117	15%	0.152	C	C	.	.	H	α-helix	trans	-57.6	-39	177.1	-64.2	178	65.8	-140.2	-9.3	112.9	L218 C219 Y220 L238 K240 I252 G253 N254 P260	L218-R256 HydrophobicContact CB-CG 4.45Å; L218-R256 VanDerWaalsContact O-CZ 3.3Å; L218-R256 PolarHBondContact O-NE 3.23Å; L218-R256 PolarHBondContact O-NH2 3Å; C219-R256 CarbonylContact C-O 3.15Å; C219-R256 WeakPolarHBondContact CA-O 3.39Å; C219-R256 WeakPolarHBondContact CB-O 3.48Å; C219-R256 PolarHBondContact SG-O 3.34Å; C219-R256 VanDerWaalsContact SG-O 3.37Å; Y220-R256 HydrophobicContact CD1-CB 4.07Å; Y220-R256 HydrophobicContact CE1-CB 3.74Å; Y220-R256 PolarHBondContact N-O 2.9Å; L238-R256 PolarHBondContact O-NH1 3.18Å; K240-R256 VanDerWaalsContact CG-NH1 3.32Å; I252-R256 HydrophobicContact CB-CG 4.1Å; I252-R256 HydrophobicContact CG2-CG 3.6Å; I252-R256 WeakPolarHBondContact O-CD 3.38Å; G253-R256 WeakPolarHBondContact O-CB 3.45Å; G253-R256 WeakPolarHBondContact O-CG 3.46Å; G253-R256 PolarHBondContact O-N 3.3Å; N254-R256 PolarHBondContact O-N 3Å; N254-R256 VanDerWaalsContact O-N 3.11Å; R256-P260 WeakPolarHBondContact O-CD 3.49Å
257	F	98.6	Very high	98	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-110.5	-22.7	-180	63.8	-93.7	0	0	0	113.6	Y220 A222 F225 E228 M229 A232 L238 N254 E255 C259 P260 E261	Y220-F257 HydrophobicContact CD2-CB 4.4Å; Y220-F257 HydrophobicContact CE1-CB 4.28Å; Y220-F257 HydrophobicContact CE1-CD1 4.37Å; Y220-F257 HydrophobicContact CE2-CB 3.98Å; Y220-F257 AromaticContact CZ-CD1 3.87Å; Y220-F257 VanDerWaalsContact O-CA 3.3Å; Y220-F257 WeakPolarHBondContact O-CA 3.37Å; Y220-F257 WeakPolarHBondContact O-CB 3.35Å; Y220-F257 WeakPolarHBondContact OH-CD1 3.38Å; A222-F257 HydrophobicContact CB-CB 4.21Å; A222-F257 HydrophobicContact CB-CD2 4.32Å; A222-F257 HydrophobicContact CB-CG 4.46Å; F225-F257 AromaticContact CD2-CD2 3.93Å; F225-F257 HydrophobicContact CD2-CD2 3.93Å; F225-F257 HydrophobicContact CD2-CE2 4.2Å; F225-F257 AromaticContact CE2-CD2 3.86Å; F225-F257 HydrophobicContact CE2-CD2 3.86Å; F225-F257 AromaticContact CE2-CE2 3.97Å; F225-F257 HydrophobicContact CE2-CE2 3.97Å; E228-F257 HydrophobicContact CB-CD2 4.07Å; E228-F257 HydrophobicContact CB-CE1 4.43Å; E228-F257 HydrophobicContact CB-CE2 3.8Å; E228-F257 HydrophobicContact CB-CZ 3.99Å; E228-F257 HydrophobicContact CG-CD1 3.73Å; E228-F257 HydrophobicContact CG-CD2 3.9Å; E228-F257 HydrophobicContact CG-CE1 3.66Å; E228-F257 HydrophobicContact CG-CE2 3.85Å; E228-F257 HydrophobicContact CG-CG 3.83Å; E228-F257 HydrophobicContact CG-CZ 3.73Å; E228-F257 WeakPolarHBondContact O-CZ 3.36Å; M229-F257 HydrophobicContact CG-CE2 3.81Å; M229-F257 HydrophobicContact CG-CZ 4.32Å; M229-F257 HydrophobicContact SD-CE2 3.55Å; M229-F257 VanDerWaalsContact SD-CE2 3.55Å; M229-F257 HydrophobicContact SD-CZ 3.78Å; A232-F257 HydrophobicContact CB-CE1 4Å; A232-F257 HydrophobicContact CB-CZ 3.89Å; L238-F257 HydrophobicContact CD1-CE1 4.08Å; N254-F257 VanDerWaalsContact CA-CE1 3.49Å; N254-F257 HydrophobicContact CB-CE1 3.68Å; N254-F257 HydrophobicContact CB-CE2 4.44Å; N254-F257 HydrophobicContact CB-CZ 3.61Å; N254-F257 PolarHBondContact O-N 3.23Å; N254-F257 VanDerWaalsContact O-N 3.13Å; E255-F257 VanDerWaalsContact C-N 3.31Å; E255-F257 PolarHBondContact O-N 2.68Å; F257-C259 VanDerWaalsContact C-N 3.34Å; F257-C259 PolarHBondContact O-N 2.87Å; F257-P260 WeakPolarHBondContact O-CD 3.38Å; F257-E261 WeakPolarHBondContact O-CB 3.43Å; F257-E261 PolarHBondContact O-N 3Å
258	R	98.5	Very high	97.9	Very high	47 Å²	47	27.5 Å²	27.5	18%	0.177	14%	0.144	C	C	.	.	H	α-helix	trans	-61.6	-39.8	169.9	-74.5	173.9	66.2	-156.5	-1.8	112.6	I194 E197 F225 M229 N254 E261	I194-R258 HydrophobicContact CD1-CB 4.15Å; E197-R258 IonicContact OE2-CZ 3.94Å; E197-R258 IonicContact OE2-NH1 3.89Å; E197-R258 IonicContact OE2-NH2 3.22Å; E197-R258 PolarHBondContact OE2-NH2 3.03Å; F225-R258 HydrophobicContact CE2-CG 3.97Å; F225-R258 HydrophobicContact CZ-CG 4.09Å; M229-R258 HydrophobicContact SD-CG 3.91Å; N254-R258 HydrophobicContact CB-CG 4.49Å; N254-R258 WeakPolarHBondContact O-CB 3.29Å; N254-R258 WeakPolarHBondContact O-CG 3.34Å; N254-R258 PolarHBondContact O-N 3.43Å; N254-R258 WeakPolarHBondContact OD1-CD 3.28Å; N254-R258 PolarHBondContact OD1-NH1 3.12Å; R258-E261 WeakPolarHBondContact O-CB 3.45Å; R258-E261 PolarHBondContact O-N 2.92Å
259	C	98.7	Very high	97.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-57.4	-60.5	179.9	170.4	0	0	0	0	112.6	L187 Y190 L191 I194 E255 F257 E261 T262	L187-C259 PolarHBondContact O-SG 2.81Å; Y190-C259 HydrophobicContact CD1-CB 4.44Å; L191-C259 HydrophobicContact CB-CB 4.32Å; L191-C259 HydrophobicContact CD1-CB 4.02Å; I194-C259 HydrophobicContact CD1-CB 4.08Å; E255-C259 VanDerWaalsContact O-CB 3.29Å; E255-C259 WeakPolarHBondContact O-CB 3.42Å; E255-C259 PolarHBondContact O-N 3.1Å; E255-C259 VanDerWaalsContact O-N 3.13Å; F257-C259 VanDerWaalsContact C-N 3.34Å; F257-C259 PolarHBondContact O-N 2.87Å; C259-E261 PolarHBondContact O-N 3.32Å; C259-T262 WeakPolarHBondContact O-CG2 3.34Å; C259-T262 PolarHBondContact O-N 3.32Å; C259-T262 PolarHBondContact O-OG1 3.46Å
260	P	98.7	Very high	97.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-70.7	-16.2	-179.8	28.8	-36.4	0	0	0	113.9	C219 Y220 V221 R256 F257 T262 L263 Y308	C219-P260 HydrophobicContact CB-CG 4.42Å; Y220-P260 WeakPolarHBondContact O-CG 3.22Å; V221-P260 HydrophobicContact CG2-CB 3.88Å; V221-P260 HydrophobicContact CG2-CG 4.31Å; R256-P260 WeakPolarHBondContact O-CD 3.49Å; F257-P260 WeakPolarHBondContact O-CD 3.38Å; P260-T262 PolarHBondContact O-N 3.27Å; P260-L263 WeakPolarHBondContact O-CB 3.46Å; P260-L263 PolarHBondContact O-N 3.23Å; P260-Y308 HydrophobicContact CB-CD1 4.39Å; P260-Y308 HydrophobicContact CB-CD2 3.79Å; P260-Y308 HydrophobicContact CB-CE1 4.3Å; P260-Y308 HydrophobicContact CB-CE2 3.65Å; P260-Y308 HydrophobicContact CB-CG 4.16Å
261	E	98.7	Very high	97.8	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-57.9	-28.4	173.7	-172.6	62.1	-158.8	0	0	112	F225 F257 R258 C259 L263 F264 Q265 F268 R314	F225-E261 HydrophobicContact CB-CG 4.41Å; F225-E261 HydrophobicContact CD1-CG 4.36Å; F225-E261 HydrophobicContact CD2-CB 3.8Å; F225-E261 HydrophobicContact CD2-CG 3.42Å; F225-E261 VanDerWaalsContact CD2-CG 3.42Å; F225-E261 HydrophobicContact CE2-CB 3.79Å; F225-E261 HydrophobicContact CE2-CG 3.67Å; F225-E261 HydrophobicContact CG-CG 3.8Å; F225-E261 HydrophobicContact CZ-CG 4.24Å; F257-E261 WeakPolarHBondContact O-CB 3.43Å; F257-E261 PolarHBondContact O-N 3Å; R258-E261 WeakPolarHBondContact O-CB 3.45Å; R258-E261 PolarHBondContact O-N 2.92Å; C259-E261 PolarHBondContact O-N 3.32Å; E261-L263 PolarHBondContact O-N 3.05Å; E261-L263 VanDerWaalsContact O-N 3.1Å; E261-F264 CarbonylContact O-C 3.54Å; E261-F264 WeakPolarHBondContact O-CA 3.49Å; E261-F264 WeakPolarHBondContact O-CB 3.28Å; E261-F264 PolarHBondContact O-N 2.93Å; E261-Q265 PolarHBondContact O-N 3.22Å; E261-F268 HydrophobicContact CB-CE2 4.4Å; E261-F268 HydrophobicContact CG-CD2 4.23Å; E261-F268 HydrophobicContact CG-CE2 3.78Å; E261-R314 IonicContact OE1-CZ 3.13Å; E261-R314 IonicContact OE1-NH1 2.84Å; E261-R314 PolarHBondContact OE1-NH1 3.07Å; E261-R314 IonicContact OE1-NH2 3.05Å; E261-R314 PolarHBondContact OE1-NH2 2.9Å; E261-R314 IonicContact OE2-CZ 2.76Å; E261-R314 IonicContact OE2-NH1 3.92Å; E261-R314 PolarHBondContact OE2-NH1 3.49Å; E261-R314 IonicContact OE2-NH2 3.16Å
262	T	98.4	Very high	97.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-24.4	176.1	60.2	0	0	0	0	113.4	L182 L187 Y190 C259 P260 F264 Q265 P266 F268 I269	L182-T262 VanDerWaalsContact CD2-O 3.26Å; L182-T262 WeakPolarHBondContact CD2-O 3.3Å; L187-T262 WeakPolarHBondContact CD2-OG1 3.38Å; Y190-T262 HydrophobicContact CD1-CG2 3.42Å; Y190-T262 VanDerWaalsContact CD1-CG2 3.42Å; Y190-T262 HydrophobicContact CE1-CG2 3.34Å; Y190-T262 HydrophobicContact CG-CG2 4.12Å; C259-T262 WeakPolarHBondContact O-CG2 3.34Å; C259-T262 PolarHBondContact O-N 3.32Å; C259-T262 PolarHBondContact O-OG1 3.46Å; P260-T262 PolarHBondContact O-N 3.27Å; T262-F264 VanDerWaalsContact C-N 3.25Å; T262-F264 PolarHBondContact O-N 2.9Å; T262-Q265 CarbonylContact O-C 3.6Å; T262-Q265 VanDerWaalsContact O-C 3.26Å; T262-Q265 PolarHBondContact O-N 2.79Å; T262-P266 VanDerWaalsContact O-CA 3.28Å; T262-P266 WeakPolarHBondContact O-CA 3.38Å; T262-P266 WeakPolarHBondContact O-CD 3.27Å; T262-F268 HydrophobicContact CG2-CB 3.93Å; T262-I269 HydrophobicContact CG2-CG2 3.68Å
263	L	98.7	Very high	97.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-33	171	-65.8	172.1	0	0	0	111.9	L182 L187 P260 E261 G275 I276 T305 Y308 I311	L182-L263 HydrophobicContact CG-CD2 4.34Å; L187-L263 HydrophobicContact CD1-CD1 4.09Å; L187-L263 HydrophobicContact CD1-CD2 4.19Å; L187-L263 HydrophobicContact CD1-CG 4.09Å; L187-L263 HydrophobicContact CD2-CD2 4.45Å; L187-L263 HydrophobicContact CD2-CG 4.31Å; P260-L263 WeakPolarHBondContact O-CB 3.46Å; P260-L263 PolarHBondContact O-N 3.23Å; E261-L263 PolarHBondContact O-N 3.05Å; E261-L263 VanDerWaalsContact O-N 3.1Å; L263-G275 CarbonylContact O-C 3.26Å; L263-G275 VanDerWaalsContact O-CA 3.25Å; L263-G275 WeakPolarHBondContact O-CA 3.37Å; L263-I276 HydrophobicContact CB-CD1 3.91Å; L263-I276 HydrophobicContact CB-CG1 4.12Å; L263-I276 HydrophobicContact CB-CG2 4.23Å; L263-I276 HydrophobicContact CD1-CD1 4.4Å; L263-I276 HydrophobicContact CD2-CG2 4.4Å; L263-I276 PolarHBondContact O-N 3.05Å; L263-T305 HydrophobicContact CD1-CG2 3.79Å; L263-T305 HydrophobicContact CD2-CG2 4.08Å; L263-Y308 HydrophobicContact CD1-CD2 4.31Å; L263-Y308 HydrophobicContact CD1-CE2 4.22Å; L263-I311 HydrophobicContact CD1-CD1 4.48Å
264	F	98.7	Very high	97.5	Very high	3 Å²	3	38.3 Å²	38.3	1%	0.013	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-31.5	178	-63.9	-94.2	0	0	0	111.5	V221 E261 T262 G275 I276 H277 I311 R314 M315 E318	V221-F264 HydrophobicContact CG1-CD2 4.39Å; V221-F264 HydrophobicContact CG1-CE2 3.6Å; V221-F264 HydrophobicContact CG1-CZ 4.03Å; V221-F264 HydrophobicContact CG2-CE2 4.06Å; E261-F264 CarbonylContact O-C 3.54Å; E261-F264 WeakPolarHBondContact O-CA 3.49Å; E261-F264 WeakPolarHBondContact O-CB 3.28Å; E261-F264 PolarHBondContact O-N 2.93Å; T262-F264 VanDerWaalsContact C-N 3.25Å; T262-F264 PolarHBondContact O-N 2.9Å; F264-G275 WeakPolarHBondContact O-CA 3.44Å; F264-I276 HydrophobicContact CD1-CG1 4.29Å; F264-I276 HydrophobicContact CE1-CD1 4.17Å; F264-I276 HydrophobicContact CE1-CG1 4.06Å; F264-I276 HydrophobicContact CE2-CD1 3.94Å; F264-I276 HydrophobicContact CE2-CG1 4.39Å; F264-I276 HydrophobicContact CZ-CD1 3.73Å; F264-I276 HydrophobicContact CZ-CG1 4.12Å; F264-H277 HydrophobicContact CD1-CB 4.28Å; F264-H277 AromaticContact CD1-CG 3.94Å; F264-H277 AromaticContact CD1-ND1 3.35Å; F264-H277 VanDerWaalsContact CD1-ND1 3.35Å; F264-H277 WeakPolarHBondContact CD1-ND1 3.23Å; F264-H277 HydrophobicContact CE1-CB 4.27Å; F264-H277 PolarHBondContact O-CE1 3.31Å; F264-I311 HydrophobicContact CE2-CG1 4.46Å; F264-I311 HydrophobicContact CZ-CG1 4.19Å; F264-R314 HydrophobicContact CD1-CG 3.9Å; F264-R314 HydrophobicContact CE1-CB 4.19Å; F264-R314 HydrophobicContact CE1-CG 3.37Å; F264-R314 HydrophobicContact CE2-CG 4.02Å; F264-R314 HydrophobicContact CG-CG 4.47Å; F264-R314 HydrophobicContact CZ-CB 3.91Å; F264-R314 HydrophobicContact CZ-CG 3.43Å; F264-R314 VanDerWaalsContact CZ-CG 3.43Å; F264-M315 HydrophobicContact CE1-CG 4.37Å; F264-M315 HydrophobicContact CE1-SD 3.73Å; F264-M315 HydrophobicContact CZ-CG 4.27Å; F264-M315 HydrophobicContact CZ-SD 4.02Å; F264-E318 HydrophobicContact CD1-CG 4.33Å; F264-E318 HydrophobicContact CE1-CG 4.41Å
265	Q	97.9	Very high	97.5	Very high	64 Å²	64	36.6 Å²	36.6	30%	0.299	21%	0.207	S	C	.	.			trans	-129.8	77	179.4	-60.7	-171.6	-2.9	0	0	111.4	E261 T262 S267 F268	E261-Q265 PolarHBondContact O-N 3.22Å; T262-Q265 CarbonylContact O-C 3.6Å; T262-Q265 VanDerWaalsContact O-C 3.26Å; T262-Q265 PolarHBondContact O-N 2.79Å; Q265-S267 PolarHBondContact O-N 2.82Å; Q265-F268 HydrophobicContact CB-CD1 4.42Å; Q265-F268 HydrophobicContact CB-CD2 4.37Å; Q265-F268 HydrophobicContact CB-CE1 4.5Å; Q265-F268 HydrophobicContact CB-CE2 4.45Å; Q265-F268 HydrophobicContact CB-CG 4.38Å; Q265-F268 WeakPolarHBondContact O-CB 3.36Å; Q265-F268 PolarHBondContact O-N 3.12Å
266	P	98.4	Very high	97.6	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.019	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-58.1	-21.1	-179.1	-27	36.2	0	0	0	114.3	L182 T262 F268 I269 M271 S273	L182-P266 HydrophobicContact CD2-CB 3.96Å; L182-P266 HydrophobicContact CD2-CG 3.98Å; T262-P266 VanDerWaalsContact O-CA 3.28Å; T262-P266 WeakPolarHBondContact O-CA 3.38Å; T262-P266 WeakPolarHBondContact O-CD 3.27Å; P266-F268 PolarHBondContact O-N 3.45Å; P266-F268 VanDerWaalsContact O-N 3.14Å; P266-I269 WeakPolarHBondContact O-CG1 3.48Å; P266-I269 PolarHBondContact O-N 3.21Å; P266-M271 CarbonylContact C-O 3.58Å; P266-M271 VanDerWaalsContact C-O 3.25Å; P266-M271 HydrophobicContact CB-CB 3.86Å; P266-M271 HydrophobicContact CB-CG 4.08Å; P266-M271 HydrophobicContact CB-SD 4.12Å; P266-M271 WeakPolarHBondContact O-CB 3.37Å; P266-M271 PolarHBondContact O-N 2.88Å; P266-M271 VanDerWaalsContact O-N 3.11Å; P266-S273 WeakPolarHBondContact CG-O 3.34Å
267	S	97.1	Very high	97.6	Very high	80 Å²	80	35.5 Å²	35.5	56%	0.559	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-58.4	-24.6	175	58.8	0	0	0	0	113.6	Q265 I269 G270 M271	Q265-S267 PolarHBondContact O-N 2.82Å; S267-I269 PolarHBondContact O-N 2.89Å; S267-G270 PolarHBondContact O-N 3.22Å; S267-M271 WeakPolarHBondContact CA-O 3.27Å; S267-M271 PolarHBondContact N-O 2.78Å
268	F	94.5	Very high	97.5	Very high	70 Å²	70	39.3 Å²	39.3	31%	0.307	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-63.3	-20.8	175.2	-77.3	3.5	0	0	0	114	F225 E261 T262 Q265 P266	F225-F268 AromaticContact CE1-CE2 3.82Å; F225-F268 HydrophobicContact CE1-CE2 3.82Å; F225-F268 AromaticContact CE1-CZ 3.85Å; F225-F268 HydrophobicContact CE1-CZ 3.85Å; F225-F268 HydrophobicContact CE2-CE2 4.34Å; F225-F268 AromaticContact CZ-CE2 3.67Å; F225-F268 HydrophobicContact CZ-CE2 3.67Å; F225-F268 HydrophobicContact CZ-CZ 4.14Å; E261-F268 HydrophobicContact CB-CE2 4.4Å; E261-F268 HydrophobicContact CG-CD2 4.23Å; E261-F268 HydrophobicContact CG-CE2 3.78Å; T262-F268 HydrophobicContact CG2-CB 3.93Å; Q265-F268 HydrophobicContact CB-CD1 4.42Å; Q265-F268 HydrophobicContact CB-CD2 4.37Å; Q265-F268 HydrophobicContact CB-CE1 4.5Å; Q265-F268 HydrophobicContact CB-CE2 4.45Å; Q265-F268 HydrophobicContact CB-CG 4.38Å; Q265-F268 WeakPolarHBondContact O-CB 3.36Å; Q265-F268 PolarHBondContact O-N 3.12Å; P266-F268 PolarHBondContact O-N 3.45Å; P266-F268 VanDerWaalsContact O-N 3.14Å
269	I	96.1	Very high	97.5	Very high	56 Å²	56	37.3 Å²	37.3	29%	0.287	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-108.5	13.3	172.4	58.6	167.5	0	0	0	112.4	L182 Y190 T262 P266 S267 M271	L182-I269 HydrophobicContact CD1-CD1 3.46Å; L182-I269 VanDerWaalsContact CD1-CD1 3.46Å; L182-I269 HydrophobicContact CD2-CD1 4.1Å; L182-I269 HydrophobicContact CG-CD1 4.34Å; Y190-I269 HydrophobicContact CD1-CG2 4.22Å; Y190-I269 HydrophobicContact CD2-CG2 3.43Å; Y190-I269 VanDerWaalsContact CD2-CG2 3.43Å; Y190-I269 HydrophobicContact CE2-CG2 3.93Å; Y190-I269 HydrophobicContact CG-CG2 3.57Å; T262-I269 HydrophobicContact CG2-CG2 3.68Å; P266-I269 WeakPolarHBondContact O-CG1 3.48Å; P266-I269 PolarHBondContact O-N 3.21Å; S267-I269 PolarHBondContact O-N 2.89Å; I269-M271 VanDerWaalsContact C-N 3.31Å; I269-M271 HydrophobicContact CD1-CB 4.4Å; I269-M271 HydrophobicContact CD1-CE 4.26Å; I269-M271 HydrophobicContact CG1-CB 4.11Å
270	G	95.7	Very high	97.5	Very high	69 Å²	69	37.4 Å²	37.4	71%	0.711	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.9	16.2	-178.4	0	0	0	0	0	114.1	S267	S267-G270 PolarHBondContact O-N 3.22Å
271	M	95.8	Very high	97.5	Very high	53 Å²	53	40.1 Å²	40.1	26%	0.261	23%	0.225	S	C	.	.			trans	-91.7	118.8	177.2	-175.9	179.5	-67.5	0	0	110.4	L180 D181 L182 P266 S267 I269 S273	L180-M271 HydrophobicContact CD1-SD 3.89Å; D181-M271 WeakPolarHBondContact O-CE 3.39Å; L182-M271 HydrophobicContact CB-CE 4.06Å; L182-M271 HydrophobicContact CB-SD 4.03Å; L182-M271 HydrophobicContact CD2-SD 4.42Å; P266-M271 CarbonylContact C-O 3.58Å; P266-M271 VanDerWaalsContact C-O 3.25Å; P266-M271 HydrophobicContact CB-CB 3.86Å; P266-M271 HydrophobicContact CB-CG 4.08Å; P266-M271 HydrophobicContact CB-SD 4.12Å; P266-M271 WeakPolarHBondContact O-CB 3.37Å; P266-M271 PolarHBondContact O-N 2.88Å; P266-M271 VanDerWaalsContact O-N 3.11Å; S267-M271 WeakPolarHBondContact CA-O 3.27Å; S267-M271 PolarHBondContact N-O 2.78Å; I269-M271 VanDerWaalsContact C-N 3.31Å; I269-M271 HydrophobicContact CD1-CB 4.4Å; I269-M271 HydrophobicContact CD1-CE 4.26Å; I269-M271 HydrophobicContact CG1-CB 4.11Å; M271-S273 VanDerWaalsContact C-N 3.29Å; M271-S273 PolarHBondContact O-N 3.02Å
272	E	95	Very high	97.5	Very high	203 Å²	203	42.8 Å²	42.8	95%	0.949	24%	0.239	S	C	*	.			trans	-80.9	75.3	173.4	-65.9	-175	176.9	0	0	110.3
273	S	95.7	Very high	97.5	Very high	53 Å²	53	42.8 Å²	42.8	37%	0.371	24%	0.239	S	C	.	.	S	Bend	trans	-144.9	156.3	176.8	-168.8	0	0	0	0	111	L180 P266 M271	L180-S273 WeakPolarHBondContact CD1-OG 3.41Å; P266-S273 WeakPolarHBondContact CG-O 3.34Å; M271-S273 VanDerWaalsContact C-N 3.29Å; M271-S273 PolarHBondContact O-N 3.02Å
274	A	97.8	Very high	97.5	Very high	27 Å²	27	42.7 Å²	42.7	22%	0.223	24%	0.239	C	C	.	.			trans	-70.4	148.5	172.9	0	0	0	0	0	110.8	E278 T279	A274-E278 HydrophobicContact CB-CB 3.84Å; A274-E278 WeakPolarHBondContact CB-OE2 3.28Å; A274-T279 HydrophobicContact CB-CG2 3.93Å
275	G	98.5	Very high	97.5	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.01	25%	0.25	C	C	.	.			trans	-67.3	171.4	176.6	0	0	0	0	0	113.7	L263 F264 H277 E278 T279	L263-G275 CarbonylContact O-C 3.26Å; L263-G275 VanDerWaalsContact O-CA 3.25Å; L263-G275 WeakPolarHBondContact O-CA 3.37Å; F264-G275 WeakPolarHBondContact O-CA 3.44Å; G275-H277 VanDerWaalsContact C-N 3.31Å; G275-H277 PolarHBondContact O-N 3.14Å; G275-E278 PolarHBondContact O-N 2.92Å; G275-T279 WeakPolarHBondContact O-CG2 3.47Å; G275-T279 PolarHBondContact O-N 3.32Å; G275-T279 PolarHBondContact O-OG1 3.36Å
276	I	98.6	Very high	97.5	Very high	2 Å²	2	47 Å²	47	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-58.4	-40.4	-179	55.8	169.5	0	0	0	112.6	L155 T162 L180 L263 F264 T279 T280 I311 M315	L155-I276 HydrophobicContact CD1-CB 4.25Å; L155-I276 HydrophobicContact CD1-CG2 4.32Å; L155-I276 HydrophobicContact CD2-CB 4.09Å; L155-I276 HydrophobicContact CD2-CD1 3.91Å; L155-I276 HydrophobicContact CD2-CG1 4.43Å; T162-I276 HydrophobicContact CG2-CG2 3.94Å; L180-I276 HydrophobicContact CD2-CG2 4.25Å; L263-I276 HydrophobicContact CB-CD1 3.91Å; L263-I276 HydrophobicContact CB-CG1 4.12Å; L263-I276 HydrophobicContact CB-CG2 4.23Å; L263-I276 HydrophobicContact CD1-CD1 4.4Å; L263-I276 HydrophobicContact CD2-CG2 4.4Å; L263-I276 PolarHBondContact O-N 3.05Å; F264-I276 HydrophobicContact CD1-CG1 4.29Å; F264-I276 HydrophobicContact CE1-CD1 4.17Å; F264-I276 HydrophobicContact CE1-CG1 4.06Å; F264-I276 HydrophobicContact CE2-CD1 3.94Å; F264-I276 HydrophobicContact CE2-CG1 4.39Å; F264-I276 HydrophobicContact CZ-CD1 3.73Å; F264-I276 HydrophobicContact CZ-CG1 4.12Å; I276-T279 VanDerWaalsContact CA-OG1 3.29Å; I276-T279 WeakPolarHBondContact CA-OG1 3.4Å; I276-T279 PolarHBondContact O-N 3.08Å; I276-T279 PolarHBondContact O-OG1 2.64Å; I276-T280 PolarHBondContact O-N 2.86Å; I276-T280 PolarHBondContact O-OG1 3.12Å; I276-I311 HydrophobicContact CD1-CD1 4.11Å; I276-I311 HydrophobicContact CD1-CG1 4.49Å; I276-M315 HydrophobicContact CD1-SD 3.72Å; I276-M315 HydrophobicContact CG1-SD 3.78Å
277	H	98.6	Very high	97.5	Very high	14 Å²	14	47 Å²	47	7%	0.065	26%	0.258	C	S	.	.	H	α-helix	trans	-64.2	-46	177.3	61.9	-67.5	0	0	0	112.8	F264 G275 T280 Y281 M315 E318	F264-H277 HydrophobicContact CD1-CB 4.28Å; F264-H277 AromaticContact CD1-CG 3.94Å; F264-H277 AromaticContact CD1-ND1 3.35Å; F264-H277 VanDerWaalsContact CD1-ND1 3.35Å; F264-H277 WeakPolarHBondContact CD1-ND1 3.23Å; F264-H277 HydrophobicContact CE1-CB 4.27Å; F264-H277 PolarHBondContact O-CE1 3.31Å; G275-H277 VanDerWaalsContact C-N 3.31Å; G275-H277 PolarHBondContact O-N 3.14Å; H277-T280 PolarHBondContact O-N 3.06Å; H277-Y281 PolarHBondContact O-N 2.88Å; H277-M315 HydrophobicContact CB-CE 4.33Å; H277-M315 HydrophobicContact CB-SD 3.93Å; H277-E318 HydrophobicContact CB-CB 3.61Å; H277-E318 HydrophobicContact CB-CG 4.28Å
278	E	98.4	Very high	97.5	Very high	80 Å²	80	48.8 Å²	48.8	37%	0.374	26%	0.261	S	S	.	.	H	α-helix	trans	-66.6	-40.9	175.5	-78.1	178.5	-133.8	0	0	111.8	A274 G275 Y281 N282 L322	A274-E278 HydrophobicContact CB-CB 3.84Å; A274-E278 WeakPolarHBondContact CB-OE2 3.28Å; G275-E278 PolarHBondContact O-N 2.92Å; E278-Y281 PolarHBondContact O-N 2.85Å; E278-N282 VanDerWaalsContact O-CB 3.28Å; E278-N282 WeakPolarHBondContact O-CB 3.34Å; E278-N282 PolarHBondContact O-N 3.24Å; E278-N282 PolarHBondContact O-ND2 2.9Å; E278-N282 VanDerWaalsContact O-ND2 3.13Å; E278-L322 HydrophobicContact CG-CD1 4.02Å
279	T	98.4	Very high	97.6	Very high	4 Å²	4	51.3 Å²	51.3	3%	0.025	28%	0.276	C	S	.	.	H	α-helix	trans	-68	-34.6	177.2	52.3	0	0	0	0	112	N164 M178 A274 G275 I276 S283	N164-T279 PolarHBondContact ND2-OG1 2.86Å; M178-T279 HydrophobicContact CE-CG2 4.38Å; M178-T279 WeakPolarHBondContact CG-O 3.27Å; A274-T279 HydrophobicContact CB-CG2 3.93Å; G275-T279 WeakPolarHBondContact O-CG2 3.47Å; G275-T279 PolarHBondContact O-N 3.32Å; G275-T279 PolarHBondContact O-OG1 3.36Å; I276-T279 VanDerWaalsContact CA-OG1 3.29Å; I276-T279 WeakPolarHBondContact CA-OG1 3.4Å; I276-T279 PolarHBondContact O-N 3.08Å; I276-T279 PolarHBondContact O-OG1 2.64Å; T279-S283 VanDerWaalsContact O-CB 3.31Å; T279-S283 WeakPolarHBondContact O-CB 3.28Å; T279-S283 PolarHBondContact O-N 3.49Å
280	T	98.7	Very high	97.6	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.012	30%	0.299	C	S	.	.	H	α-helix	trans	-61.1	-50.2	168.5	-52	0	0	0	0	110.6	I153 N164 I276 H277 N282 S283 I284 N299 M315 I319	I153-T280 HydrophobicContact CD1-CG2 3.87Å; I153-T280 HydrophobicContact CG1-CG2 4.42Å; I153-T280 HydrophobicContact CG2-CG2 4.12Å; N164-T280 PolarHBondContact ND2-N 3.49Å; N164-T280 WeakPolarHBondContact OD1-CA 3.31Å; N164-T280 WeakPolarHBondContact OD1-CB 3.44Å; N164-T280 PolarHBondContact OD1-OG1 3.04Å; I276-T280 PolarHBondContact O-N 2.86Å; I276-T280 PolarHBondContact O-OG1 3.12Å; H277-T280 PolarHBondContact O-N 3.06Å; T280-N282 PolarHBondContact O-N 3.14Å; T280-S283 WeakPolarHBondContact O-CB 3.28Å; T280-S283 PolarHBondContact O-N 3.45Å; T280-I284 HydrophobicContact CG2-CD1 4.38Å; T280-I284 WeakPolarHBondContact O-CG1 3.46Å; T280-I284 PolarHBondContact O-N 3.02Å; T280-I284 VanDerWaalsContact O-N 3.09Å; T280-N299 WeakPolarHBondContact CG2-OD1 3.44Å; T280-M315 WeakPolarHBondContact OG1-CE 3.43Å; T280-I319 HydrophobicContact CG2-CD1 3.69Å
281	Y	98.5	Very high	97.7	Very high	57 Å²	57	53 Å²	53	22%	0.224	27%	0.27	C	S	.	.	H	α-helix	trans	-57.8	-47.6	177.2	168.4	-95.1	0	0	0	112.3	H277 E278 S283 I284 M285 Y296 L322	H277-Y281 PolarHBondContact O-N 2.88Å; E278-Y281 PolarHBondContact O-N 2.85Å; Y281-S283 VanDerWaalsContact C-N 3.31Å; Y281-S283 PolarHBondContact O-N 3.41Å; Y281-I284 PolarHBondContact O-N 3.37Å; Y281-M285 HydrophobicContact CD1-CG 4.21Å; Y281-M285 HydrophobicContact CD2-CE 4.46Å; Y281-M285 HydrophobicContact CD2-CG 4.31Å; Y281-M285 HydrophobicContact CE1-CG 3.7Å; Y281-M285 HydrophobicContact CE2-CE 3.67Å; Y281-M285 HydrophobicContact CE2-CG 3.81Å; Y281-M285 HydrophobicContact CE2-SD 4.32Å; Y281-M285 HydrophobicContact CG-CG 4.48Å; Y281-M285 VanDerWaalsContact CZ-CG 3.46Å; Y281-M285 WeakPolarHBondContact O-CG 3.48Å; Y281-M285 PolarHBondContact O-N 3.45Å; Y281-Y296 VanDerWaalsContact CD2-OH 3.26Å; Y281-Y296 WeakPolarHBondContact CD2-OH 3.03Å; Y281-Y296 WeakPolarHBondContact CE2-OH 3.1Å; Y281-L322 HydrophobicContact CD2-CB 3.66Å; Y281-L322 HydrophobicContact CE2-CB 4.1Å; Y281-L322 WeakPolarHBondContact CE2-O 3.17Å; Y281-L322 HydrophobicContact CG-CB 3.94Å; Y281-L322 HydrophobicContact CG-CD1 4.16Å
282	N	98.6	Very high	97.8	Very high	56 Å²	56	53.2 Å²	53.2	30%	0.299	27%	0.268	S	S	.	.	H	α-helix	trans	-62.7	-37.8	179.6	-71.9	-27.7	0	0	0	111.8	M178 E278 T280 M285 K286	M178-N282 HydrophobicContact CE-CB 4.24Å; E278-N282 VanDerWaalsContact O-CB 3.28Å; E278-N282 WeakPolarHBondContact O-CB 3.34Å; E278-N282 PolarHBondContact O-N 3.24Å; E278-N282 PolarHBondContact O-ND2 2.9Å; E278-N282 VanDerWaalsContact O-ND2 3.13Å; T280-N282 PolarHBondContact O-N 3.14Å; N282-M285 PolarHBondContact O-N 2.81Å; N282-K286 WeakPolarHBondContact O-CG 3.32Å; N282-K286 PolarHBondContact O-N 3.07Å
283	S	98.7	Very high	97.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.2	-47.3	173.7	-178.6	0	0	0	0	111.5	I153 P166 A176 T279 T280 Y281 M285 K286 C287	I153-S283 WeakPolarHBondContact CD1-OG 3.43Å; P166-S283 VanDerWaalsContact CD-OG 3.28Å; P166-S283 WeakPolarHBondContact CD-OG 3.41Å; P166-S283 WeakPolarHBondContact CG-OG 3.38Å; A176-S283 WeakPolarHBondContact O-CB 3.28Å; A176-S283 PolarHBondContact O-OG 3Å; T279-S283 VanDerWaalsContact O-CB 3.31Å; T279-S283 WeakPolarHBondContact O-CB 3.28Å; T279-S283 PolarHBondContact O-N 3.49Å; T280-S283 WeakPolarHBondContact O-CB 3.28Å; T280-S283 PolarHBondContact O-N 3.45Å; Y281-S283 VanDerWaalsContact C-N 3.31Å; Y281-S283 PolarHBondContact O-N 3.41Å; S283-M285 VanDerWaalsContact C-N 3.32Å; S283-M285 PolarHBondContact O-N 2.94Å; S283-K286 PolarHBondContact O-N 2.91Å; S283-C287 PolarHBondContact O-N 3.09Å; S283-C287 PolarHBondContact O-SG 3.44Å
284	I	98.6	Very high	98	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63	-39.2	175.8	-61.3	171.5	0	0	0	111.1	I153 T280 Y281 K286 C287 R292 L295 Y296	I153-I284 HydrophobicContact CD1-CD1 4.4Å; I153-I284 HydrophobicContact CD1-CG1 3.71Å; I153-I284 HydrophobicContact CG2-CD1 4.11Å; I153-I284 HydrophobicContact CG2-CG1 4.35Å; T280-I284 HydrophobicContact CG2-CD1 4.38Å; T280-I284 WeakPolarHBondContact O-CG1 3.46Å; T280-I284 PolarHBondContact O-N 3.02Å; T280-I284 VanDerWaalsContact O-N 3.09Å; Y281-I284 PolarHBondContact O-N 3.37Å; I284-K286 VanDerWaalsContact C-N 3.26Å; I284-K286 PolarHBondContact O-N 3Å; I284-C287 VanDerWaalsContact O-CB 3.29Å; I284-C287 WeakPolarHBondContact O-CB 3.42Å; I284-C287 PolarHBondContact O-N 3.02Å; I284-R292 HydrophobicContact CG2-CB 3.84Å; I284-R292 HydrophobicContact CG2-CG 3.86Å; I284-R292 PolarHBondContact O-NE 2.94Å; I284-L295 HydrophobicContact CD1-CB 4.33Å; I284-L295 HydrophobicContact CG1-CB 4.04Å; I284-L295 HydrophobicContact CG1-CD1 4.4Å; I284-L295 HydrophobicContact CG2-CB 4.22Å; I284-L295 HydrophobicContact CG2-CD1 4.31Å; I284-Y296 HydrophobicContact CB-CE1 4.38Å; I284-Y296 HydrophobicContact CD1-CD1 3.41Å; I284-Y296 VanDerWaalsContact CD1-CD1 3.41Å; I284-Y296 HydrophobicContact CD1-CE1 3.43Å; I284-Y296 VanDerWaalsContact CD1-CE1 3.43Å; I284-Y296 HydrophobicContact CD1-CG 4.11Å; I284-Y296 HydrophobicContact CG2-CD1 4.43Å; I284-Y296 HydrophobicContact CG2-CD2 4.05Å; I284-Y296 HydrophobicContact CG2-CE1 4.08Å; I284-Y296 HydrophobicContact CG2-CE2 3.66Å; I284-Y296 HydrophobicContact CG2-CG 4.42Å
285	M	97.9	Very high	98	Very high	48 Å²	48	49.5 Å²	49.5	24%	0.236	24%	0.24	C	C	.	.	H	α-helix	trans	-69	-21.9	178.5	-75.4	-66.5	139	0	0	114	Y281 N282 S283 C287 R292 Y296	Y281-M285 HydrophobicContact CD1-CG 4.21Å; Y281-M285 HydrophobicContact CD2-CE 4.46Å; Y281-M285 HydrophobicContact CD2-CG 4.31Å; Y281-M285 HydrophobicContact CE1-CG 3.7Å; Y281-M285 HydrophobicContact CE2-CE 3.67Å; Y281-M285 HydrophobicContact CE2-CG 3.81Å; Y281-M285 HydrophobicContact CE2-SD 4.32Å; Y281-M285 HydrophobicContact CG-CG 4.48Å; Y281-M285 VanDerWaalsContact CZ-CG 3.46Å; Y281-M285 WeakPolarHBondContact O-CG 3.48Å; Y281-M285 PolarHBondContact O-N 3.45Å; N282-M285 PolarHBondContact O-N 2.81Å; S283-M285 VanDerWaalsContact C-N 3.32Å; S283-M285 PolarHBondContact O-N 2.94Å; M285-C287 VanDerWaalsContact C-N 3.3Å; M285-R292 PolarHBondContact O-NH2 3.5Å; M285-R292 PolarHBondContact SD-NH1 3.02Å; M285-Y296 HydrophobicContact CE-CE2 4.18Å; M285-Y296 WeakPolarHBondContact CE-OH 3.28Å
286	K	98.3	Very high	98	Very high	110 Å²	110	49.5 Å²	49.5	48%	0.478	24%	0.24	S	C	.	.	H	α-helix	trans	-78.3	-14.9	170.7	-74.6	177.4	176.6	-175	0	113.3	A176 M178 N282 S283 I284	A176-K286 HydrophobicContact CB-CB 3.71Å; M178-K286 HydrophobicContact SD-CD 4.1Å; M178-K286 PolarHBondContact SD-NZ 3.15Å; N282-K286 WeakPolarHBondContact O-CG 3.32Å; N282-K286 PolarHBondContact O-N 3.07Å; S283-K286 PolarHBondContact O-N 2.91Å; I284-K286 VanDerWaalsContact C-N 3.26Å; I284-K286 PolarHBondContact O-N 3Å
287	C	98.2	Very high	98	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.014	25%	0.25	C	C	.	.	S	Bend	trans	-84	159.6	177.8	-60.5	0	0	0	0	111.8	P166 L173 A176 S283 I284 M285 I291 R292 L295	P166-C287 VanDerWaalsContact CB-SG 3.58Å; L173-C287 HydrophobicContact CD1-CB 4.49Å; A176-C287 VanDerWaalsContact CB-SG 3.57Å; S283-C287 PolarHBondContact O-N 3.09Å; S283-C287 PolarHBondContact O-SG 3.44Å; I284-C287 VanDerWaalsContact O-CB 3.29Å; I284-C287 WeakPolarHBondContact O-CB 3.42Å; I284-C287 PolarHBondContact O-N 3.02Å; M285-C287 VanDerWaalsContact C-N 3.3Å; C287-I291 HydrophobicContact CB-CD1 3.96Å; C287-I291 HydrophobicContact CB-CG1 4.06Å; C287-R292 VanDerWaalsContact O-CZ 3.3Å; C287-R292 PolarHBondContact O-NE 3.14Å; C287-R292 PolarHBondContact O-NH2 3.02Å; C287-L295 HydrophobicContact CB-CD1 3.74Å; C287-L295 VanDerWaalsContact SG-CD1 3.54Å
288	D	97.1	Very high	98	Very high	118 Å²	118	51.6 Å²	51.6	63%	0.631	26%	0.255	S	S	*	.			trans	-59.6	143.6	175.3	-68.8	-39.5	0	0	0	112	D290 I291 R292	D288-D290 PolarHBondContact O-N 3.16Å; D288-D290 VanDerWaalsContact O-N 3.15Å; D288-I291 WeakPolarHBondContact O-CG1 3.2Å; D288-I291 PolarHBondContact O-N 2.87Å; D288-R292 WeakPolarHBondContact O-CG 3.46Å; D288-R292 PolarHBondContact O-N 2.9Å
289	I	96.2	Very high	98	Very high	122 Å²	122	48 Å²	48	63%	0.626	24%	0.238	S	C	*	.	H	α-helix	trans	-57	-34.6	-173.4	-166.3	166.8	0	0	0	112.9	I291 R292	I289-I291 VanDerWaalsContact C-N 3.29Å; I289-I291 PolarHBondContact O-N 3.28Å; I289-R292 PolarHBondContact O-N 3.29Å
290	D	96.3	Very high	98	Very high	142 Å²	142	47.8 Å²	47.8	76%	0.759	24%	0.237	S	C	*	.	H	α-helix	trans	-67	-29	-174.9	-64.5	-23	0	0	0	112.6	D288	D288-D290 PolarHBondContact O-N 3.16Å; D288-D290 VanDerWaalsContact O-N 3.15Å
291	I	97.2	Very high	98	Very high	20 Å²	20	47.8 Å²	47.8	10%	0.103	24%	0.237	C	C	.	.	H	α-helix	trans	-97.1	-14.6	-177.6	69.7	167.4	0	0	0	113.2	Y168 L173 C287 D288 I289 K293 D294 L295	Y168-I291 HydrophobicContact CD2-CB 3.99Å; Y168-I291 HydrophobicContact CD2-CD1 4.32Å; Y168-I291 HydrophobicContact CD2-CG2 3.53Å; Y168-I291 HydrophobicContact CE2-CB 4.25Å; Y168-I291 HydrophobicContact CE2-CG2 3.46Å; Y168-I291 VanDerWaalsContact CE2-CG2 3.46Å; Y168-I291 HydrophobicContact CG-CD1 4.48Å; Y168-I291 HydrophobicContact CG-CG2 4.3Å; L173-I291 HydrophobicContact CD1-CD1 3.49Å; L173-I291 VanDerWaalsContact CD1-CD1 3.49Å; C287-I291 HydrophobicContact CB-CD1 3.96Å; C287-I291 HydrophobicContact CB-CG1 4.06Å; D288-I291 WeakPolarHBondContact O-CG1 3.2Å; D288-I291 PolarHBondContact O-N 2.87Å; I289-I291 VanDerWaalsContact C-N 3.29Å; I289-I291 PolarHBondContact O-N 3.28Å; I291-K293 PolarHBondContact O-N 2.85Å; I291-D294 PolarHBondContact O-N 3.12Å; I291-L295 HydrophobicContact CD1-CD1 4.14Å; I291-L295 HydrophobicContact CG1-CD1 4.18Å; I291-L295 WeakPolarHBondContact O-CG 3.34Å; I291-L295 PolarHBondContact O-N 2.78Å
292	R	98.1	Very high	98	Very high	56 Å²	56	45 Å²	45	21%	0.211	23%	0.226	C	C	.	.	H	α-helix	trans	-57.8	-36.5	-175.1	-63.8	-173.8	-170.5	176.5	1.2	113	I284 M285 C287 D288 I289 D294 L295 Y296	I284-R292 HydrophobicContact CG2-CB 3.84Å; I284-R292 HydrophobicContact CG2-CG 3.86Å; I284-R292 PolarHBondContact O-NE 2.94Å; M285-R292 PolarHBondContact O-NH2 3.5Å; M285-R292 PolarHBondContact SD-NH1 3.02Å; C287-R292 VanDerWaalsContact O-CZ 3.3Å; C287-R292 PolarHBondContact O-NE 3.14Å; C287-R292 PolarHBondContact O-NH2 3.02Å; D288-R292 WeakPolarHBondContact O-CG 3.46Å; D288-R292 PolarHBondContact O-N 2.9Å; I289-R292 PolarHBondContact O-N 3.29Å; R292-D294 VanDerWaalsContact C-N 3.29Å; R292-D294 PolarHBondContact O-N 2.92Å; R292-L295 PolarHBondContact O-N 3.4Å; R292-Y296 HydrophobicContact CB-CD2 4.35Å; R292-Y296 HydrophobicContact CB-CE2 4.31Å; R292-Y296 WeakPolarHBondContact O-CB 3.48Å; R292-Y296 WeakPolarHBondContact O-CD2 3.47Å; R292-Y296 PolarHBondContact O-N 3.34Å
293	K	97.7	Very high	98	Very high	138 Å²	138	42.8 Å²	42.8	60%	0.6	22%	0.216	S	C	*	.	H	α-helix	trans	-57.9	-44.1	177.1	179.8	-174.4	171.7	-169.9	0	111.2	I291 A297 M327	I291-K293 PolarHBondContact O-N 2.85Å; K293-A297 WeakPolarHBondContact O-CB 3.37Å; K293-A297 PolarHBondContact O-N 3.17Å; K293-M327 HydrophobicContact CB-SD 4.19Å
294	D	97.8	Very high	97.9	Very high	68 Å²	68	44.9 Å²	44.9	36%	0.364	24%	0.238	S	C	.	.	H	α-helix	trans	-74	-35.7	-179.2	-63.8	-36.9	0	0	0	111.7	T151 I291 R292 A297 N298	T151-D294 HydrophobicContact CG2-CB 3.85Å; I291-D294 PolarHBondContact O-N 3.12Å; R292-D294 VanDerWaalsContact C-N 3.29Å; R292-D294 PolarHBondContact O-N 2.92Å; D294-A297 PolarHBondContact O-N 3.12Å; D294-N298 WeakPolarHBondContact O-CB 3.33Å; D294-N298 PolarHBondContact O-N 3.48Å; D294-N298 VanDerWaalsContact O-N 3.13Å; D294-N298 PolarHBondContact O-ND2 3.49Å
295	L	98.4	Very high	97.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.5	-46.9	172.8	-59.9	-178.9	0	0	0	111.3	T151 G152 P166 I284 C287 I291 R292 A297 N298 N299	T151-L295 HydrophobicContact CG2-CD2 4.48Å; G152-L295 VanDerWaalsContact C-CD2 3.45Å; G152-L295 WeakPolarHBondContact O-CD2 3.43Å; P166-L295 HydrophobicContact CB-CD1 4.07Å; P166-L295 HydrophobicContact CB-CD2 4.33Å; I284-L295 HydrophobicContact CD1-CB 4.33Å; I284-L295 HydrophobicContact CG1-CB 4.04Å; I284-L295 HydrophobicContact CG1-CD1 4.4Å; I284-L295 HydrophobicContact CG2-CB 4.22Å; I284-L295 HydrophobicContact CG2-CD1 4.31Å; C287-L295 HydrophobicContact CB-CD1 3.74Å; C287-L295 VanDerWaalsContact SG-CD1 3.54Å; I291-L295 HydrophobicContact CD1-CD1 4.14Å; I291-L295 HydrophobicContact CG1-CD1 4.18Å; I291-L295 WeakPolarHBondContact O-CG 3.34Å; I291-L295 PolarHBondContact O-N 2.78Å; R292-L295 PolarHBondContact O-N 3.4Å; L295-A297 VanDerWaalsContact C-N 3.31Å; L295-A297 PolarHBondContact O-N 3.02Å; L295-N298 CarbonylContact O-C 3.55Å; L295-N298 PolarHBondContact O-N 3Å; L295-N298 VanDerWaalsContact O-N 3.14Å; L295-N299 PolarHBondContact O-ND2 3.23Å
296	Y	98.4	Very high	98	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.1	-34.5	175.7	-80.5	-51.7	0	0	0	113.5	Y281 I284 M285 R292 N298 N299 I319 A323 M327 K328 I329 K330	Y281-Y296 VanDerWaalsContact CD2-OH 3.26Å; Y281-Y296 WeakPolarHBondContact CD2-OH 3.03Å; Y281-Y296 WeakPolarHBondContact CE2-OH 3.1Å; I284-Y296 HydrophobicContact CB-CE1 4.38Å; I284-Y296 HydrophobicContact CD1-CD1 3.41Å; I284-Y296 VanDerWaalsContact CD1-CD1 3.41Å; I284-Y296 HydrophobicContact CD1-CE1 3.43Å; I284-Y296 VanDerWaalsContact CD1-CE1 3.43Å; I284-Y296 HydrophobicContact CD1-CG 4.11Å; I284-Y296 HydrophobicContact CG2-CD1 4.43Å; I284-Y296 HydrophobicContact CG2-CD2 4.05Å; I284-Y296 HydrophobicContact CG2-CE1 4.08Å; I284-Y296 HydrophobicContact CG2-CE2 3.66Å; I284-Y296 HydrophobicContact CG2-CG 4.42Å; M285-Y296 HydrophobicContact CE-CE2 4.18Å; M285-Y296 WeakPolarHBondContact CE-OH 3.28Å; R292-Y296 HydrophobicContact CB-CD2 4.35Å; R292-Y296 HydrophobicContact CB-CE2 4.31Å; R292-Y296 WeakPolarHBondContact O-CB 3.48Å; R292-Y296 WeakPolarHBondContact O-CD2 3.47Å; R292-Y296 PolarHBondContact O-N 3.34Å; Y296-N298 VanDerWaalsContact C-N 3.26Å; Y296-N298 PolarHBondContact O-N 2.94Å; Y296-N299 PolarHBondContact O-ND2 3.36Å; Y296-I319 HydrophobicContact CD1-CG2 3.99Å; Y296-I319 HydrophobicContact CE1-CG2 3.95Å; Y296-A323 HydrophobicContact CD1-CB 4.21Å; Y296-A323 HydrophobicContact CE1-CB 3.65Å; Y296-A323 HydrophobicContact CE2-CB 4.29Å; Y296-M327 HydrophobicContact CD2-CB 3.91Å; Y296-M327 HydrophobicContact CD2-CG 3.68Å; Y296-M327 HydrophobicContact CD2-SD 4.05Å; Y296-M327 HydrophobicContact CE2-CB 4.42Å; Y296-M327 HydrophobicContact CE2-CG 3.94Å; Y296-M327 HydrophobicContact CG-CB 4.31Å; Y296-K328 CarbonylContact C-O 3.25Å; Y296-I329 HydrophobicContact CD1-CD1 3.34Å; Y296-I329 HydrophobicContact CD2-CD1 4.43Å; Y296-I329 HydrophobicContact CE1-CD1 4.1Å; Y296-I329 HydrophobicContact CG-CD1 3.55Å; Y296-I329 WeakPolarHBondContact O-CA 3.25Å; Y296-K330 PolarHBondContact O-N 2.99Å
297	A	98	Very high	98	Very high	27 Å²	27	41 Å²	41	22%	0.223	22%	0.223	C	C	.	.	H	α-helix	trans	-78.3	-8.6	177.5	0	0	0	0	0	113.6	K293 D294 L295 K330	K293-A297 WeakPolarHBondContact O-CB 3.37Å; K293-A297 PolarHBondContact O-N 3.17Å; D294-A297 PolarHBondContact O-N 3.12Å; L295-A297 VanDerWaalsContact C-N 3.31Å; L295-A297 PolarHBondContact O-N 3.02Å; A297-K330 WeakPolarHBondContact O-CB 3.31Å
298	N	98.2	Very high	98	Very high	33 Å²	33	41.6 Å²	41.6	18%	0.176	23%	0.225	C	C	.	.			trans	-139.7	62.3	-175.6	-61.8	-67.3	0	0	0	111.9	R149 G152 I153 D294 L295 Y296 V300 I332	R149-N298 WeakPolarHBondContact CD-OD1 3.5Å; R149-N298 PolarHBondContact NE-OD1 2.91Å; G152-N298 WeakPolarHBondContact CA-O 3.46Å; I153-N298 PolarHBondContact N-O 2.75Å; D294-N298 WeakPolarHBondContact O-CB 3.33Å; D294-N298 PolarHBondContact O-N 3.48Å; D294-N298 VanDerWaalsContact O-N 3.13Å; D294-N298 PolarHBondContact O-ND2 3.49Å; L295-N298 CarbonylContact O-C 3.55Å; L295-N298 PolarHBondContact O-N 3Å; L295-N298 VanDerWaalsContact O-N 3.14Å; Y296-N298 VanDerWaalsContact C-N 3.26Å; Y296-N298 PolarHBondContact O-N 2.94Å; N298-V300 PolarHBondContact O-N 3.06Å; N298-I332 HydrophobicContact CB-CD1 4.32Å
299	N	98.6	Very high	98.1	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	104.7	171.4	-65.8	-99.7	0	0	0	109.2	I153 T280 L295 Y296 K330 I331 I332	I153-N299 HydrophobicContact CG2-CB 4.13Å; I153-N299 WeakPolarHBondContact CG2-OD1 3.5Å; I153-N299 CarbonylContact O-C 3.56Å; I153-N299 WeakPolarHBondContact O-CA 3.45Å; T280-N299 WeakPolarHBondContact CG2-OD1 3.44Å; L295-N299 PolarHBondContact O-ND2 3.23Å; Y296-N299 PolarHBondContact O-ND2 3.36Å; N299-K330 PolarHBondContact N-O 3.18Å; N299-K330 VanDerWaalsContact N-O 3.11Å; N299-I331 HydrophobicContact CB-CD1 3.65Å; N299-I331 CarbonylContact O-C 3.58Å; N299-I332 PolarHBondContact O-N 3.43Å
300	V	98.8	Very high	98.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.9	-178.6	-180	0	0	0	0	110.1	L144 I153 V154 L155 N298 I332	L144-V300 HydrophobicContact CD1-CB 4.44Å; L144-V300 HydrophobicContact CD1-CG2 3.71Å; I153-V300 PolarHBondContact O-N 3.24Å; V154-V300 CarbonylContact C-O 3.52Å; V154-V300 VanDerWaalsContact CA-O 3.31Å; V154-V300 WeakPolarHBondContact CA-O 3.38Å; V154-V300 HydrophobicContact CG2-CB 4.2Å; L155-V300 PolarHBondContact N-O 3.18Å; N298-V300 PolarHBondContact O-N 3.06Å; V300-I332 WeakPolarHBondContact CA-O 3.48Å; V300-I332 HydrophobicContact CG2-CB 4.14Å; V300-I332 HydrophobicContact CG2-CD1 3.92Å; V300-I332 HydrophobicContact CG2-CG2 4.37Å
301	L	98.8	Very high	98.3	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	131.1	173	-56.7	-168.5	0	0	0	110	L155 T306 I311 A312 I331 I332 A333 R337	L155-L301 HydrophobicContact CB-CD2 3.94Å; L155-L301 HydrophobicContact CD2-CD2 3.9Å; L155-L301 HydrophobicContact CG-CD2 4.32Å; L301-T306 HydrophobicContact CB-CG2 4.37Å; L301-I311 HydrophobicContact CD1-CG2 3.93Å; L301-A312 HydrophobicContact CD1-CB 4.17Å; L301-I331 HydrophobicContact CD1-CG2 3.84Å; L301-I331 HydrophobicContact CD2-CG2 4.19Å; L301-I331 HydrophobicContact CG-CG2 3.8Å; L301-I332 PolarHBondContact N-O 3.19Å; L301-A333 HydrophobicContact CB-CB 4.35Å; L301-A333 HydrophobicContact CD1-CB 3.99Å; L301-A333 HydrophobicContact CG-CB 4.34Å; L301-R337 WeakPolarHBondContact O-CB 3.31Å
302	S	98.6	Very high	98.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	154.2	178.7	174.1	0	0	0	0	111.7	S143 L155 D156 S157 T306	S143-S302 PolarHBondContact OG-OG 3.09Å; L155-S302 PolarHBondContact O-N 2.83Å; D156-S302 WeakPolarHBondContact CA-O 3.32Å; D156-S302 VanDerWaalsContact OD1-CB 3.24Å; D156-S302 WeakPolarHBondContact OD1-CB 3.41Å; D156-S302 PolarHBondContact OD1-OG 3.28Å; S157-S302 PolarHBondContact N-O 3.32Å; S302-T306 WeakPolarHBondContact O-CG2 3.46Å; S302-T306 PolarHBondContact O-OG1 2.84Å
303	G	98	Very high	98.4	Very high	8 Å²	8	31.5 Å²	31.5	8%	0.082	19%	0.19	C	C	.	.	S	Bend	trans	90.2	158.6	172.5	0	0	0	0	0	113.7	S157 T305 T306 R337	S157-G303 CarbonylContact O-C 3.48Å; S157-G303 WeakPolarHBondContact O-CA 3.5Å; G303-T305 VanDerWaalsContact C-N 3.32Å; G303-T305 PolarHBondContact O-N 3.44Å; G303-T306 PolarHBondContact O-N 3.43Å; G303-T306 VanDerWaalsContact O-N 3.13Å; G303-T306 PolarHBondContact O-OG1 3.44Å; G303-R337 PolarHBondContact N-O 3.1Å; G303-R337 VanDerWaalsContact N-O 3.09Å
304	G	97.5	Very high	98.5	Very high	44 Å²	44	25.3 Å²	25.3	45%	0.454	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-61.8	-33.4	-170.7	0	0	0	0	0	114.4	S157 T306 M307	S157-G304 PolarHBondContact O-N 3.31Å; G304-T306 PolarHBondContact O-N 3.5Å; G304-M307 WeakPolarHBondContact O-CB 3.32Å; G304-M307 VanDerWaalsContact O-CG 3.25Å; G304-M307 WeakPolarHBondContact O-CG 3.34Å; G304-M307 PolarHBondContact O-N 2.92Å
305	T	98.5	Very high	98.5	Very high	11 Å²	11	22.2 Å²	22.2	7%	0.067	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-72.5	-20.7	180	-65.3	0	0	0	0	112	S157 G158 G184 L187 L263 G303 M307 Y308	S157-T305 WeakPolarHBondContact O-CB 3.45Å; S157-T305 PolarHBondContact O-N 2.81Å; S157-T305 VanDerWaalsContact OG-CB 3.26Å; S157-T305 WeakPolarHBondContact OG-CB 3.34Å; S157-T305 VanDerWaalsContact OG-CG2 3.3Å; S157-T305 WeakPolarHBondContact OG-CG2 3.27Å; G158-T305 PolarHBondContact O-OG1 3.06Å; G184-T305 WeakPolarHBondContact CA-OG1 3.44Å; G184-T305 PolarHBondContact N-OG1 2.75Å; L187-T305 HydrophobicContact CD1-CG2 3.72Å; L263-T305 HydrophobicContact CD1-CG2 3.79Å; L263-T305 HydrophobicContact CD2-CG2 4.08Å; G303-T305 VanDerWaalsContact C-N 3.32Å; G303-T305 PolarHBondContact O-N 3.44Å; T305-M307 PolarHBondContact O-N 3.39Å; T305-Y308 HydrophobicContact CG2-CE2 4.18Å; T305-Y308 WeakPolarHBondContact O-CD2 3.44Å
306	T	98.7	Very high	98.5	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-80.1	4.3	171.1	74.6	0	0	0	0	113.4	L301 S302 G303 G304 Y308 I311 R337	L301-T306 HydrophobicContact CB-CG2 4.37Å; S302-T306 WeakPolarHBondContact O-CG2 3.46Å; S302-T306 PolarHBondContact O-OG1 2.84Å; G303-T306 PolarHBondContact O-N 3.43Å; G303-T306 VanDerWaalsContact O-N 3.13Å; G303-T306 PolarHBondContact O-OG1 3.44Å; G304-T306 PolarHBondContact O-N 3.5Å; T306-Y308 VanDerWaalsContact C-N 3.27Å; T306-Y308 PolarHBondContact O-N 2.9Å; T306-I311 VanDerWaalsContact O-CG2 3.3Å; T306-I311 WeakPolarHBondContact O-CG2 3.48Å; T306-R337 VanDerWaalsContact O-CZ 3.26Å; T306-R337 PolarHBondContact O-NE 3.44Å; T306-R337 PolarHBondContact O-NH2 3.04Å; T306-R337 WeakPolarHBondContact OG1-CD 3.29Å; T306-R337 PolarHBondContact OG1-NE 3.42Å
307	M	98.5	Very high	98.5	Very high	66 Å²	66	29 Å²	29	33%	0.325	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-78	-7.9	178.7	-65.1	-63.6	-63.7	0	0	113.9	G304 T305 R337 K338	G304-M307 WeakPolarHBondContact O-CB 3.32Å; G304-M307 VanDerWaalsContact O-CG 3.25Å; G304-M307 WeakPolarHBondContact O-CG 3.34Å; G304-M307 PolarHBondContact O-N 2.92Å; T305-M307 PolarHBondContact O-N 3.39Å; M307-R337 HydrophobicContact SD-CG 3.47Å; M307-R337 WeakPolarHBondContact SD-CG 3.39Å; M307-K338 HydrophobicContact CE-CG 4.39Å; M307-K338 HydrophobicContact CG-CB 4.02Å; M307-K338 HydrophobicContact SD-CB 3.97Å; M307-K338 HydrophobicContact SD-CG 4.26Å
308	Y	98.6	Very high	98.6	Very high	14 Å²	14	29.4 Å²	29.4	6%	0.055	17%	0.174	C	C	.	.	S	Bend	trans	-55.8	131.6	178.2	-72.2	-58.5	0	0	0	112.1	L187 K215 C219 V221 P260 L263 T305 T306 G310 I311	L187-Y308 HydrophobicContact CD1-CE2 3.67Å; L187-Y308 WeakPolarHBondContact CD1-OH 3.45Å; K215-Y308 VanDerWaalsContact CD-OH 3.25Å; K215-Y308 WeakPolarHBondContact CD-OH 3.3Å; K215-Y308 HydrophobicContact CG-CE1 4.27Å; K215-Y308 WeakPolarHBondContact CG-OH 3.24Å; C219-Y308 HydrophobicContact CB-CD1 4.09Å; C219-Y308 HydrophobicContact CB-CE1 3.56Å; V221-Y308 HydrophobicContact CG2-CD2 4.39Å; V221-Y308 HydrophobicContact CG2-CG 4.34Å; P260-Y308 HydrophobicContact CB-CD1 4.39Å; P260-Y308 HydrophobicContact CB-CD2 3.79Å; P260-Y308 HydrophobicContact CB-CE1 4.3Å; P260-Y308 HydrophobicContact CB-CE2 3.65Å; P260-Y308 HydrophobicContact CB-CG 4.16Å; L263-Y308 HydrophobicContact CD1-CD2 4.31Å; L263-Y308 HydrophobicContact CD1-CE2 4.22Å; T305-Y308 HydrophobicContact CG2-CE2 4.18Å; T305-Y308 WeakPolarHBondContact O-CD2 3.44Å; T306-Y308 VanDerWaalsContact C-N 3.27Å; T306-Y308 PolarHBondContact O-N 2.9Å; Y308-G310 PolarHBondContact O-N 3.44Å; Y308-I311 WeakPolarHBondContact O-CG2 3.48Å; Y308-I311 PolarHBondContact O-N 3.21Å
309	P	98.7	Very high	98.6	Very high	86 Å²	86	27.9 Å²	27.9	56%	0.558	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	140.7	166.3	-23.1	33.7	0	0	0	110.6	V221 I311	V221-P309 PolarHBondContact N-O 2.86Å; P309-I311 VanDerWaalsContact C-N 3.29Å; P309-I311 PolarHBondContact O-N 3.45Å
310	G	98.6	Very high	98.5	Very high	26 Å²	26	31.2 Å²	31.2	27%	0.268	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	-10.5	178.6	0	0	0	0	0	116	Y308 A312 D313 R314	Y308-G310 PolarHBondContact O-N 3.44Å; G310-A312 VanDerWaalsContact C-N 3.32Å; G310-A312 PolarHBondContact O-N 2.89Å; G310-D313 PolarHBondContact O-N 3.15Å; G310-R314 PolarHBondContact O-N 3.44Å
311	I	98.8	Very high	98.5	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-63.5	-38.1	-177.4	-164	175	0	0	0	112.5	V221 L263 F264 I276 L301 T306 Y308 P309 R314 M315	V221-I311 HydrophobicContact CB-CB 4.3Å; V221-I311 HydrophobicContact CG2-CB 3.93Å; V221-I311 HydrophobicContact CG2-CG1 4.1Å; L263-I311 HydrophobicContact CD1-CD1 4.48Å; F264-I311 HydrophobicContact CE2-CG1 4.46Å; F264-I311 HydrophobicContact CZ-CG1 4.19Å; I276-I311 HydrophobicContact CD1-CD1 4.11Å; I276-I311 HydrophobicContact CD1-CG1 4.49Å; L301-I311 HydrophobicContact CD1-CG2 3.93Å; T306-I311 VanDerWaalsContact O-CG2 3.3Å; T306-I311 WeakPolarHBondContact O-CG2 3.48Å; Y308-I311 WeakPolarHBondContact O-CG2 3.48Å; Y308-I311 PolarHBondContact O-N 3.21Å; P309-I311 VanDerWaalsContact C-N 3.29Å; P309-I311 PolarHBondContact O-N 3.45Å; I311-R314 PolarHBondContact O-N 2.95Å; I311-M315 HydrophobicContact CG1-CG 4.31Å; I311-M315 WeakPolarHBondContact O-CB 3.35Å; I311-M315 WeakPolarHBondContact O-CG 3.48Å; I311-M315 PolarHBondContact O-N 3.18Å
312	A	98.7	Very high	98.5	Very high	25 Å²	25	38 Å²	38	21%	0.207	23%	0.234	C	C	.	.	H	α-helix	trans	-65.1	-42.6	179.2	0	0	0	0	0	111.5	L301 G310 M315 Q316 I331 A333	L301-A312 HydrophobicContact CD1-CB 4.17Å; G310-A312 VanDerWaalsContact C-N 3.32Å; G310-A312 PolarHBondContact O-N 2.89Å; A312-M315 PolarHBondContact O-N 2.82Å; A312-Q316 VanDerWaalsContact O-CB 3.3Å; A312-Q316 WeakPolarHBondContact O-CB 3.36Å; A312-Q316 PolarHBondContact O-N 2.86Å; A312-I331 HydrophobicContact CB-CG2 3.99Å; A312-A333 HydrophobicContact CB-CB 4Å
313	D	98.7	Very high	98.4	Very high	106 Å²	106	38.5 Å²	38.5	57%	0.567	24%	0.238	S	C	*	.	H	α-helix	trans	-67.5	-41.5	178.4	-57.2	-55.1	0	0	0	111.5	L223 G310 Q316 K317	L223-D313 HydrophobicContact CD1-CB 4.12Å; G310-D313 PolarHBondContact O-N 3.15Å; D313-Q316 WeakPolarHBondContact O-CB 3.5Å; D313-Q316 PolarHBondContact O-N 2.93Å; D313-K317 PolarHBondContact O-N 2.9Å
314	R	98.8	Very high	98.3	Very high	9 Å²	9	40.9 Å²	40.9	3%	0.034	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-47.6	174.6	-175.1	64.7	176.3	-72.2	-8.8	111.4	V221 A222 L223 E261 F264 G310 I311 Q316 K317 E318	V221-R314 HydrophobicContact CG1-CB 3.47Å; V221-R314 VanDerWaalsContact CG1-CB 3.47Å; V221-R314 HydrophobicContact CG1-CG 3.67Å; A222-R314 WeakPolarHBondContact O-CD 3.48Å; A222-R314 PolarHBondContact O-NH1 2.85Å; L223-R314 WeakPolarHBondContact O-CD 3.33Å; E261-R314 IonicContact OE1-CZ 3.13Å; E261-R314 IonicContact OE1-NH1 2.84Å; E261-R314 PolarHBondContact OE1-NH1 3.07Å; E261-R314 IonicContact OE1-NH2 3.05Å; E261-R314 PolarHBondContact OE1-NH2 2.9Å; E261-R314 IonicContact OE2-CZ 2.76Å; E261-R314 IonicContact OE2-NH1 3.92Å; E261-R314 PolarHBondContact OE2-NH1 3.49Å; E261-R314 IonicContact OE2-NH2 3.16Å; F264-R314 HydrophobicContact CD1-CG 3.9Å; F264-R314 HydrophobicContact CE1-CB 4.19Å; F264-R314 HydrophobicContact CE1-CG 3.37Å; F264-R314 HydrophobicContact CE2-CG 4.02Å; F264-R314 HydrophobicContact CG-CG 4.47Å; F264-R314 HydrophobicContact CZ-CB 3.91Å; F264-R314 HydrophobicContact CZ-CG 3.43Å; F264-R314 VanDerWaalsContact CZ-CG 3.43Å; G310-R314 PolarHBondContact O-N 3.44Å; I311-R314 PolarHBondContact O-N 2.95Å; R314-Q316 VanDerWaalsContact C-N 3.28Å; R314-Q316 PolarHBondContact O-N 2.83Å; R314-K317 PolarHBondContact O-N 3.45Å; R314-E318 HydrophobicContact CG-CG 4.25Å; R314-E318 IonicContact CZ-OE1 2.87Å; R314-E318 IonicContact NE-OE1 2.77Å; R314-E318 PolarHBondContact NE-OE1 3.04Å; R314-E318 IonicContact NH2-OE1 3.67Å; R314-E318 PolarHBondContact NH2-OE1 2.95Å; R314-E318 VanDerWaalsContact O-CG 3.29Å; R314-E318 WeakPolarHBondContact O-CG 3.48Å; R314-E318 PolarHBondContact O-N 3.5Å
315	M	98.7	Very high	98.1	Very high	2 Å²	2	45 Å²	45	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-59.1	-40.3	174.6	-72.1	-64	-66	0	0	112	L155 F264 I276 H277 T280 I311 A312 I319 I331	L155-M315 HydrophobicContact CD2-CE 3.71Å; L155-M315 HydrophobicContact CD2-SD 4.15Å; F264-M315 HydrophobicContact CE1-CG 4.37Å; F264-M315 HydrophobicContact CE1-SD 3.73Å; F264-M315 HydrophobicContact CZ-CG 4.27Å; F264-M315 HydrophobicContact CZ-SD 4.02Å; I276-M315 HydrophobicContact CD1-SD 3.72Å; I276-M315 HydrophobicContact CG1-SD 3.78Å; H277-M315 HydrophobicContact CB-CE 4.33Å; H277-M315 HydrophobicContact CB-SD 3.93Å; T280-M315 WeakPolarHBondContact OG1-CE 3.43Å; I311-M315 HydrophobicContact CG1-CG 4.31Å; I311-M315 WeakPolarHBondContact O-CB 3.35Å; I311-M315 WeakPolarHBondContact O-CG 3.48Å; I311-M315 PolarHBondContact O-N 3.18Å; A312-M315 PolarHBondContact O-N 2.82Å; M315-I319 HydrophobicContact CE-CD1 3.72Å; M315-I319 HydrophobicContact CE-CG1 4.32Å; M315-I319 WeakPolarHBondContact O-CB 3.3Å; M315-I319 WeakPolarHBondContact O-CG1 3.24Å; M315-I319 PolarHBondContact O-N 3.06Å; M315-I331 HydrophobicContact CB-CD1 4.07Å; M315-I331 HydrophobicContact CB-CG1 4.12Å
316	Q	98.7	Very high	97.9	Very high	62 Å²	62	50.3 Å²	50.3	29%	0.29	31%	0.307	S	S	.	.	H	α-helix	trans	-61.6	-47.1	176.7	-177.2	69.6	60.9	0	0	111	A312 D313 R314 T320 I329 I331	A312-Q316 VanDerWaalsContact O-CB 3.3Å; A312-Q316 WeakPolarHBondContact O-CB 3.36Å; A312-Q316 PolarHBondContact O-N 2.86Å; D313-Q316 WeakPolarHBondContact O-CB 3.5Å; D313-Q316 PolarHBondContact O-N 2.93Å; R314-Q316 VanDerWaalsContact C-N 3.28Å; R314-Q316 PolarHBondContact O-N 2.83Å; Q316-T320 PolarHBondContact NE2-OG1 3.37Å; Q316-T320 WeakPolarHBondContact O-CB 3.15Å; Q316-T320 PolarHBondContact O-N 2.84Å; Q316-T320 VanDerWaalsContact O-N 3.14Å; Q316-T320 PolarHBondContact O-OG1 3.01Å; Q316-I329 PolarHBondContact NE2-O 2.79Å; Q316-I329 PolarHBondContact OE1-O 2.87Å; Q316-I331 HydrophobicContact CB-CG1 3.75Å
317	K	98.6	Very high	97.8	Very high	80 Å²	80	52.7 Å²	52.7	35%	0.348	32%	0.318	S	S	.	.	H	α-helix	trans	-58.8	-54.8	176.5	-179.8	-167.6	-179.7	-168.3	0	110.9	L223 D224 D313 R314 T320 A321	L223-K317 HydrophobicContact CD1-CB 4.1Å; L223-K317 HydrophobicContact CD1-CD 3.99Å; L223-K317 HydrophobicContact CG-CD 4.29Å; L223-K317 WeakPolarHBondContact O-CD 3.32Å; L223-K317 PolarHBondContact O-NZ 2.76Å; D224-K317 IonicContact OD2-NZ 3.85Å; D224-K317 PolarHBondContact OD2-NZ 2.94Å; D224-K317 VanDerWaalsContact OD2-NZ 3.16Å; D313-K317 PolarHBondContact O-N 2.9Å; R314-K317 PolarHBondContact O-N 3.45Å; K317-T320 PolarHBondContact O-N 3.46Å; K317-A321 PolarHBondContact O-N 3.35Å; K317-A321 VanDerWaalsContact O-N 3.09Å
318	E	98.6	Very high	97.7	Very high	37 Å²	37	57.5 Å²	57.5	17%	0.173	34%	0.337	C	S	.	.	H	α-helix	trans	-68.7	-44.6	-171.5	-62	-60.9	175.5	0	0	112.5	F264 H277 R314 T320 A321 L322	F264-E318 HydrophobicContact CD1-CG 4.33Å; F264-E318 HydrophobicContact CE1-CG 4.41Å; H277-E318 HydrophobicContact CB-CB 3.61Å; H277-E318 HydrophobicContact CB-CG 4.28Å; R314-E318 HydrophobicContact CG-CG 4.25Å; R314-E318 IonicContact CZ-OE1 2.87Å; R314-E318 IonicContact NE-OE1 2.77Å; R314-E318 PolarHBondContact NE-OE1 3.04Å; R314-E318 IonicContact NH2-OE1 3.67Å; R314-E318 PolarHBondContact NH2-OE1 2.95Å; R314-E318 VanDerWaalsContact O-CG 3.29Å; R314-E318 WeakPolarHBondContact O-CG 3.48Å; R314-E318 PolarHBondContact O-N 3.5Å; E318-T320 VanDerWaalsContact C-N 3.31Å; E318-T320 PolarHBondContact O-N 2.86Å; E318-A321 PolarHBondContact O-N 2.99Å; E318-L322 WeakPolarHBondContact O-CG 3.48Å; E318-L322 PolarHBondContact O-N 3.11Å; E318-L322 VanDerWaalsContact O-N 3.12Å
319	I	98.4	Very high	97.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-65.6	-36.6	177	-65.1	-177.7	0	0	0	110.9	T280 Y296 M315 A321 L322 A323 I329 I331	T280-I319 HydrophobicContact CG2-CD1 3.69Å; Y296-I319 HydrophobicContact CD1-CG2 3.99Å; Y296-I319 HydrophobicContact CE1-CG2 3.95Å; M315-I319 HydrophobicContact CE-CD1 3.72Å; M315-I319 HydrophobicContact CE-CG1 4.32Å; M315-I319 WeakPolarHBondContact O-CB 3.3Å; M315-I319 WeakPolarHBondContact O-CG1 3.24Å; M315-I319 PolarHBondContact O-N 3.06Å; I319-A321 VanDerWaalsContact C-N 3.28Å; I319-A321 PolarHBondContact O-N 3.3Å; I319-L322 PolarHBondContact O-N 2.86Å; I319-A323 WeakPolarHBondContact O-CB 3.39Å; I319-A323 PolarHBondContact O-N 3.32Å; I319-I329 HydrophobicContact CB-CG2 4Å; I319-I329 HydrophobicContact CG2-CD1 4.05Å; I319-I329 HydrophobicContact CG2-CG1 4.11Å; I319-I329 HydrophobicContact CG2-CG2 3.6Å; I319-I331 HydrophobicContact CD1-CD1 4.07Å
320	T	98.2	Very high	97.6	Very high	75 Å²	75	58.1 Å²	58.1	46%	0.46	33%	0.332	S	S	.	.	H	α-helix	trans	-64.2	-34.6	176.5	-57.4	0	0	0	0	111.8	Q316 K317 E318	Q316-T320 PolarHBondContact NE2-OG1 3.37Å; Q316-T320 WeakPolarHBondContact O-CB 3.15Å; Q316-T320 PolarHBondContact O-N 2.84Å; Q316-T320 VanDerWaalsContact O-N 3.14Å; Q316-T320 PolarHBondContact O-OG1 3.01Å; K317-T320 PolarHBondContact O-N 3.46Å; E318-T320 VanDerWaalsContact C-N 3.31Å; E318-T320 PolarHBondContact O-N 2.86Å
321	A	98.1	Very high	97.6	Very high	81 Å²	81	58 Å²	58	67%	0.669	33%	0.325	S	S	*	.	H	α-helix	trans	-71.6	-33.6	176.6	0	0	0	0	0	112.9	K317 E318 I319	K317-A321 PolarHBondContact O-N 3.35Å; K317-A321 VanDerWaalsContact O-N 3.09Å; E318-A321 PolarHBondContact O-N 2.99Å; I319-A321 VanDerWaalsContact C-N 3.28Å; I319-A321 PolarHBondContact O-N 3.3Å
322	L	98	Very high	97.6	Very high	64 Å²	64	58.9 Å²	58.9	34%	0.335	33%	0.329	S	S	.	.	H	α-helix	trans	-83.1	-36.1	179.9	-67.1	174.4	0	0	0	113.3	E278 Y281 E318 I319	E278-L322 HydrophobicContact CG-CD1 4.02Å; Y281-L322 HydrophobicContact CD2-CB 3.66Å; Y281-L322 HydrophobicContact CE2-CB 4.1Å; Y281-L322 WeakPolarHBondContact CE2-O 3.17Å; Y281-L322 HydrophobicContact CG-CB 3.94Å; Y281-L322 HydrophobicContact CG-CD1 4.16Å; E318-L322 WeakPolarHBondContact O-CG 3.48Å; E318-L322 PolarHBondContact O-N 3.11Å; E318-L322 VanDerWaalsContact O-N 3.12Å; I319-L322 PolarHBondContact O-N 2.86Å
323	A	97	Very high	97.6	Very high	10 Å²	10	59.3 Å²	59.3	8%	0.083	33%	0.333	C	S	.	.	S	Bend	trans	-74	154.5	-174.7	0	0	0	0	0	112.6	Y296 I319 S325 M327 I329	Y296-A323 HydrophobicContact CD1-CB 4.21Å; Y296-A323 HydrophobicContact CE1-CB 3.65Å; Y296-A323 HydrophobicContact CE2-CB 4.29Å; I319-A323 WeakPolarHBondContact O-CB 3.39Å; I319-A323 PolarHBondContact O-N 3.32Å; A323-S325 PolarHBondContact O-N 2.9Å; A323-M327 HydrophobicContact CB-CB 4.46Å; A323-I329 HydrophobicContact CB-CD1 3.66Å; A323-I329 HydrophobicContact CB-CG1 4.24Å
324	P	95.2	Very high	97.5	Very high	58 Å²	58	55 Å²	55	38%	0.377	31%	0.311	S	S	.	.			trans	-55.7	138.7	171.2	-22.4	32.2	0	0	0	111.3	T326 M327	P324-T326 PolarHBondContact O-N 2.93Å; P324-M327 HydrophobicContact CB-CG 4.13Å; P324-M327 HydrophobicContact CG-CG 4.23Å; P324-M327 WeakPolarHBondContact O-CB 3.36Å; P324-M327 PolarHBondContact O-N 3.35Å
325	S	94.4	Very high	97.5	Very high	129 Å²	129	59.5 Å²	59.5	90%	0.902	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-17.7	-175	57.8	0	0	0	0	115	A323 M327	A323-S325 PolarHBondContact O-N 2.9Å; S325-M327 VanDerWaalsContact C-N 3.33Å
326	T	94.2	Very high	97.3	Very high	124 Å²	124	63.6 Å²	63.6	76%	0.761	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-14.4	174.5	56.5	0	0	0	0	113.5	P324	P324-T326 PolarHBondContact O-N 2.93Å
327	M	95.6	Very high	97.3	Very high	50 Å²	50	61.9 Å²	61.9	25%	0.246	35%	0.351	C	S	.	.	S	Bend	trans	-84.6	132	-177.7	-63	-60.9	175.5	0	0	110.7	K293 Y296 A323 P324 S325 I329	K293-M327 HydrophobicContact CB-SD 4.19Å; Y296-M327 HydrophobicContact CD2-CB 3.91Å; Y296-M327 HydrophobicContact CD2-CG 3.68Å; Y296-M327 HydrophobicContact CD2-SD 4.05Å; Y296-M327 HydrophobicContact CE2-CB 4.42Å; Y296-M327 HydrophobicContact CE2-CG 3.94Å; Y296-M327 HydrophobicContact CG-CB 4.31Å; A323-M327 HydrophobicContact CB-CB 4.46Å; P324-M327 HydrophobicContact CB-CG 4.13Å; P324-M327 HydrophobicContact CG-CG 4.23Å; P324-M327 WeakPolarHBondContact O-CB 3.36Å; P324-M327 PolarHBondContact O-N 3.35Å; S325-M327 VanDerWaalsContact C-N 3.33Å; M327-I329 HydrophobicContact CB-CD1 4.02Å
328	K	96.4	Very high	97.2	Very high	168 Å²	168	62.2 Å²	62.2	73%	0.73	35%	0.353	S	S	*	.			trans	-87.8	113.2	171.2	-177.3	176.7	179.6	176.7	0	109.1	Y296	Y296-K328 CarbonylContact C-O 3.25Å
329	I	98.3	Very high	97.2	Very high	15 Å²	15	63.2 Å²	63.2	8%	0.077	36%	0.355	C	S	.	.			trans	-89.9	131.8	178.4	-49.3	-46.3	0	0	0	109.5	Y296 Q316 I319 A323 M327 I331	Y296-I329 HydrophobicContact CD1-CD1 3.34Å; Y296-I329 HydrophobicContact CD2-CD1 4.43Å; Y296-I329 HydrophobicContact CE1-CD1 4.1Å; Y296-I329 HydrophobicContact CG-CD1 3.55Å; Y296-I329 WeakPolarHBondContact O-CA 3.25Å; Q316-I329 PolarHBondContact NE2-O 2.79Å; Q316-I329 PolarHBondContact OE1-O 2.87Å; I319-I329 HydrophobicContact CB-CG2 4Å; I319-I329 HydrophobicContact CG2-CD1 4.05Å; I319-I329 HydrophobicContact CG2-CG1 4.11Å; I319-I329 HydrophobicContact CG2-CG2 3.6Å; A323-I329 HydrophobicContact CB-CD1 3.66Å; A323-I329 HydrophobicContact CB-CG1 4.24Å; M327-I329 HydrophobicContact CB-CD1 4.02Å; I329-I331 HydrophobicContact CG2-CD1 4.28Å
330	K	98.4	Very high	97.2	Very high	98 Å²	98	63.3 Å²	63.3	43%	0.426	36%	0.356	S	S	.	.			trans	-136.4	120.3	172	-178.7	-174.2	-178.8	-176	0	110.2	Y296 A297 N299 I332	Y296-K330 PolarHBondContact O-N 2.99Å; A297-K330 WeakPolarHBondContact O-CB 3.31Å; N299-K330 PolarHBondContact N-O 3.18Å; N299-K330 VanDerWaalsContact N-O 3.11Å; K330-I332 HydrophobicContact CD-CG1 4.3Å; K330-I332 HydrophobicContact CG-CG1 4.25Å
331	I	98.7	Very high	97.2	Very high	23 Å²	23	60.1 Å²	60.1	12%	0.118	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133.3	169	-49.4	-52.5	0	0	0	109.6	N299 L301 A312 M315 Q316 I319 I329	N299-I331 HydrophobicContact CB-CD1 3.65Å; N299-I331 CarbonylContact O-C 3.58Å; L301-I331 HydrophobicContact CD1-CG2 3.84Å; L301-I331 HydrophobicContact CD2-CG2 4.19Å; L301-I331 HydrophobicContact CG-CG2 3.8Å; A312-I331 HydrophobicContact CB-CG2 3.99Å; M315-I331 HydrophobicContact CB-CD1 4.07Å; M315-I331 HydrophobicContact CB-CG1 4.12Å; Q316-I331 HydrophobicContact CB-CG1 3.75Å; I319-I331 HydrophobicContact CD1-CD1 4.07Å; I329-I331 HydrophobicContact CG2-CD1 4.28Å
332	I	98.6	Very high	97.2	Very high	20 Å²	20	56.2 Å²	56.2	10%	0.103	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	111.5	179.9	-60	154.2	0	0	0	106.7	R149 N298 N299 V300 L301 K330 P334	R149-I332 VanDerWaalsContact CZ-CD1 3.48Å; R149-I332 VanDerWaalsContact NE-CD1 3.29Å; N298-I332 HydrophobicContact CB-CD1 4.32Å; N299-I332 PolarHBondContact O-N 3.43Å; V300-I332 WeakPolarHBondContact CA-O 3.48Å; V300-I332 HydrophobicContact CG2-CB 4.14Å; V300-I332 HydrophobicContact CG2-CD1 3.92Å; V300-I332 HydrophobicContact CG2-CG2 4.37Å; L301-I332 PolarHBondContact N-O 3.19Å; K330-I332 HydrophobicContact CD-CG1 4.3Å; K330-I332 HydrophobicContact CG-CG1 4.25Å; I332-P334 HydrophobicContact CG2-CG 4.37Å; I332-P334 WeakPolarHBondContact O-CD 3.5Å
333	A	98.3	Very high	97.2	Very high	35 Å²	35	54.5 Å²	54.5	29%	0.289	30%	0.295	S	S	.	.			trans	-123.7	84.4	-178.9	0	0	0	0	0	109.6	L301 A312	L301-A333 HydrophobicContact CB-CB 4.35Å; L301-A333 HydrophobicContact CD1-CB 3.99Å; L301-A333 HydrophobicContact CG-CB 4.34Å; A312-A333 HydrophobicContact CB-CB 4Å
334	P	97.5	Very high	97.3	Very high	15 Å²	15	54 Å²	54	10%	0.097	29%	0.291	C	S	.	.			trans	-55.2	140.4	176.7	-23.1	33.8	0	0	0	110.8	I332 E336 R337	I332-P334 HydrophobicContact CG2-CG 4.37Å; I332-P334 WeakPolarHBondContact O-CD 3.5Å; P334-E336 WeakPolarHBondContact CB-OE1 3.21Å; P334-E336 PolarHBondContact O-N 3.48Å; P334-R337 HydrophobicContact CB-CB 4.23Å; P334-R337 HydrophobicContact CG-CB 4.5Å; P334-R337 WeakPolarHBondContact O-CB 3.34Å; P334-R337 WeakPolarHBondContact O-CD 3.15Å; P334-R337 WeakPolarHBondContact O-CG 3.2Å; P334-R337 PolarHBondContact O-N 3.46Å; P334-R337 VanDerWaalsContact O-N 3.12Å; P334-R337 PolarHBondContact O-NH1 3.11Å
335	P	97.1	Very high	97.4	Very high	103 Å²	103	51.2 Å²	51.2	67%	0.669	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-36.5	178	-26.2	34.6	0	0	0	113.2	R337	P335-R337 VanDerWaalsContact C-N 3.31Å; P335-R337 PolarHBondContact O-N 3.39Å
336	E	96.1	Very high	97.6	Very high	88 Å²	88	45.3 Å²	45.3	41%	0.411	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	12.1	-179.8	65.5	-72.2	163.8	0	0	113.7	P334 K338 Y339 I343	P334-E336 WeakPolarHBondContact CB-OE1 3.21Å; P334-E336 PolarHBondContact O-N 3.48Å; E336-K338 PolarHBondContact O-N 3.46Å; E336-Y339 WeakPolarHBondContact O-CA 3.48Å; E336-Y339 PolarHBondContact O-N 3.16Å; E336-I343 HydrophobicContact CB-CD1 4.26Å; E336-I343 HydrophobicContact CG-CD1 3.65Å
337	R	97.5	Very high	97.6	Very high	27 Å²	27	42.5 Å²	42.5	10%	0.102	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-58.3	-17	-171.9	67.8	-170.8	173	-77	1.9	116.9	L301 G303 T306 M307 P334 P335 Y339 S340	L301-R337 WeakPolarHBondContact O-CB 3.31Å; G303-R337 PolarHBondContact N-O 3.1Å; G303-R337 VanDerWaalsContact N-O 3.09Å; T306-R337 VanDerWaalsContact O-CZ 3.26Å; T306-R337 PolarHBondContact O-NE 3.44Å; T306-R337 PolarHBondContact O-NH2 3.04Å; T306-R337 WeakPolarHBondContact OG1-CD 3.29Å; T306-R337 PolarHBondContact OG1-NE 3.42Å; M307-R337 HydrophobicContact SD-CG 3.47Å; M307-R337 WeakPolarHBondContact SD-CG 3.39Å; P334-R337 HydrophobicContact CB-CB 4.23Å; P334-R337 HydrophobicContact CG-CB 4.5Å; P334-R337 WeakPolarHBondContact O-CB 3.34Å; P334-R337 WeakPolarHBondContact O-CD 3.15Å; P334-R337 WeakPolarHBondContact O-CG 3.2Å; P334-R337 PolarHBondContact O-N 3.46Å; P334-R337 VanDerWaalsContact O-N 3.12Å; P334-R337 PolarHBondContact O-NH1 3.11Å; P335-R337 VanDerWaalsContact C-N 3.31Å; P335-R337 PolarHBondContact O-N 3.39Å; R337-Y339 PolarHBondContact O-N 3.07Å; R337-S340 VanDerWaalsContact CA-OG 3.31Å; R337-S340 WeakPolarHBondContact CA-OG 3.4Å; R337-S340 PolarHBondContact O-N 3.45Å
338	K	97.1	Very high	97.6	Very high	87 Å²	87	41.1 Å²	41.1	38%	0.378	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-61.7	-18.8	167.1	57.5	167.2	170.5	164.4	0	113.5	K20 M307 E336	K20-K338 WeakPolarHBondContact CE-O 3.21Å; M307-K338 HydrophobicContact CE-CG 4.39Å; M307-K338 HydrophobicContact CG-CB 4.02Å; M307-K338 HydrophobicContact SD-CB 3.97Å; M307-K338 HydrophobicContact SD-CG 4.26Å; E336-K338 PolarHBondContact O-N 3.46Å
339	Y	97.9	Very high	97.6	Very high	57 Å²	57	33.2 Å²	33.2	22%	0.224	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-117.1	2.8	-179.8	-53.1	-44.1	0	0	0	113	K20 P29 V32 E336 R337 V341 W342 I343	K20-Y339 HydrophobicContact CD-CD1 3.76Å; K20-Y339 HydrophobicContact CD-CE1 4.31Å; P29-Y339 HydrophobicContact CG-CD1 4.12Å; P29-Y339 HydrophobicContact CG-CE1 4.41Å; P29-Y339 HydrophobicContact CG-CG 4.37Å; V32-Y339 HydrophobicContact CG2-CE1 3.99Å; E336-Y339 WeakPolarHBondContact O-CA 3.48Å; E336-Y339 PolarHBondContact O-N 3.16Å; R337-Y339 PolarHBondContact O-N 3.07Å; Y339-V341 VanDerWaalsContact C-N 3.27Å; Y339-V341 PolarHBondContact O-N 3.17Å; Y339-W342 PolarHBondContact O-N 2.9Å; Y339-I343 WeakPolarHBondContact O-CG1 3.35Å; Y339-I343 PolarHBondContact O-N 2.81Å
340	S	98.3	Very high	97.3	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.014	19%	0.189	C	C	.	.	H	α-helix	trans	-53.5	-41.1	-175.4	-81.4	0	0	0	0	113.5	A146 R337 W342 I343 G344	A146-S340 VanDerWaalsContact CB-O 3.27Å; A146-S340 WeakPolarHBondContact CB-O 3.08Å; R337-S340 VanDerWaalsContact CA-OG 3.31Å; R337-S340 WeakPolarHBondContact CA-OG 3.4Å; R337-S340 PolarHBondContact O-N 3.45Å; S340-W342 PolarHBondContact O-N 3Å; S340-I343 PolarHBondContact O-N 2.8Å; S340-G344 PolarHBondContact O-N 2.68Å
341	V	98.5	Very high	97	Very high	8 Å²	8	34.2 Å²	34.2	5%	0.048	19%	0.186	C	C	.	.	H	α-helix	trans	-55.5	-53.4	175.3	175.3	0	0	0	0	111.1	D13 T108 Q139 L142 S143 Y339 G344 G345	D13-V341 HydrophobicContact CB-CG1 4.07Å; D13-V341 VanDerWaalsContact CG-CG1 3.47Å; D13-V341 WeakPolarHBondContact OD1-CG1 3.42Å; T108-V341 HydrophobicContact CG2-CG1 3.76Å; Q139-V341 HydrophobicContact CB-CG1 3.94Å; Q139-V341 HydrophobicContact CB-CG2 3.88Å; Q139-V341 HydrophobicContact CG-CG1 3.76Å; Q139-V341 HydrophobicContact CG-CG2 4.38Å; L142-V341 WeakPolarHBondContact CB-O 3.49Å; L142-V341 HydrophobicContact CD1-CG1 4.3Å; S143-V341 WeakPolarHBondContact OG-CG2 3.43Å; S143-V341 PolarHBondContact OG-N 3.13Å; Y339-V341 VanDerWaalsContact C-N 3.27Å; Y339-V341 PolarHBondContact O-N 3.17Å; V341-G344 PolarHBondContact O-N 3.31Å; V341-G345 PolarHBondContact O-N 3.37Å
342	W	98.6	Very high	96.6	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.7	-42.7	-177.7	-174.8	92.2	0	0	0	111.3	V11 D13 K20 F23 D26 A28 P29 Y339 S340 G344 G345 S346	V11-W342 HydrophobicContact CB-CZ2 4.4Å; V11-W342 HydrophobicContact CG1-CG 4.24Å; V11-W342 PolarHBondContact O-NE1 2.59Å; D13-W342 HydrophobicContact CB-CB 4.16Å; K20-W342 HydrophobicContact CB-CB 4.42Å; K20-W342 HydrophobicContact CB-CG 4.32Å; K20-W342 HydrophobicContact CD-CB 4.44Å; F23-W342 WeakPolarHBondContact O-CH2 3.22Å; D26-W342 HydrophobicContact CB-CH2 3.91Å; D26-W342 WeakPolarHBondContact O-CH2 3.46Å; D26-W342 WeakPolarHBondContact O-CZ3 3.37Å; A28-W342 WeakPolarHBondContact O-CH2 3.32Å; A28-W342 WeakPolarHBondContact O-CZ3 3.47Å; P29-W342 HydrophobicContact CB-CD2 3.69Å; P29-W342 HydrophobicContact CB-CE3 4.17Å; P29-W342 HydrophobicContact CB-CG 3.92Å; P29-W342 HydrophobicContact CB-CZ2 4.48Å; P29-W342 VanDerWaalsContact CD-CE3 3.5Å; P29-W342 HydrophobicContact CG-CD2 4.26Å; P29-W342 HydrophobicContact CG-CE3 4.39Å; P29-W342 HydrophobicContact CG-CG 4.42Å; P29-W342 VanDerWaalsContact N-CE3 3.34Å; Y339-W342 PolarHBondContact O-N 2.9Å; S340-W342 PolarHBondContact O-N 3Å; W342-G344 VanDerWaalsContact C-N 3.31Å; W342-G344 PolarHBondContact O-N 3.08Å; W342-G345 PolarHBondContact O-N 3.2Å; W342-G345 VanDerWaalsContact O-N 3.15Å; W342-S346 PolarHBondContact O-N 3Å
343	I	98.3	Very high	96.1	Very high	27 Å²	27	42.3 Å²	42.3	14%	0.138	24%	0.242	C	C	.	.	H	α-helix	trans	-59.9	-43.5	176.5	-66.7	167.7	0	0	0	110.4	A146 E336 Y339 S340 G345 S346 I347	A146-I343 HydrophobicContact CB-CB 4.19Å; A146-I343 HydrophobicContact CB-CG2 3.97Å; E336-I343 HydrophobicContact CB-CD1 4.26Å; E336-I343 HydrophobicContact CG-CD1 3.65Å; Y339-I343 WeakPolarHBondContact O-CG1 3.35Å; Y339-I343 PolarHBondContact O-N 2.81Å; S340-I343 PolarHBondContact O-N 2.8Å; I343-G345 VanDerWaalsContact C-N 3.33Å; I343-G345 PolarHBondContact O-N 3.38Å; I343-S346 WeakPolarHBondContact O-CB 3.49Å; I343-S346 PolarHBondContact O-N 3.23Å; I343-I347 HydrophobicContact CG2-CD1 3.91Å; I343-I347 WeakPolarHBondContact O-CG1 3.41Å; I343-I347 PolarHBondContact O-N 3.27Å
344	G	97.8	Very high	95.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-40.2	176.1	0	0	0	0	0	112.8	L142 S340 V341 W342 L348	L142-G344 VanDerWaalsContact O-CA 3.27Å; L142-G344 WeakPolarHBondContact O-CA 3.27Å; S340-G344 PolarHBondContact O-N 2.68Å; V341-G344 PolarHBondContact O-N 3.31Å; W342-G344 VanDerWaalsContact C-N 3.31Å; W342-G344 PolarHBondContact O-N 3.08Å; G344-L348 VanDerWaalsContact O-CB 3.27Å; G344-L348 WeakPolarHBondContact O-CB 3.21Å; G344-L348 PolarHBondContact O-N 3.21Å
345	G	97.8	Very high	95.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.1	-42.1	172.5	0	0	0	0	0	112.7	V341 W342 I343 L348 A349	V341-G345 PolarHBondContact O-N 3.37Å; W342-G345 PolarHBondContact O-N 3.2Å; W342-G345 VanDerWaalsContact O-N 3.15Å; I343-G345 VanDerWaalsContact C-N 3.33Å; I343-G345 PolarHBondContact O-N 3.38Å; G345-L348 PolarHBondContact O-N 3.32Å; G345-A349 VanDerWaalsContact O-CB 3.24Å; G345-A349 WeakPolarHBondContact O-CB 3.47Å; G345-A349 PolarHBondContact O-N 3.5Å
346	S	97.8	Very high	94.9	Very high	4 Å²	4	47.5 Å²	47.5	3%	0.028	25%	0.249	C	C	.	.	H	α-helix	trans	-60.4	-48.1	176.7	179	0	0	0	0	111.2	G25 D26 W342 I343 S350	G25-S346 PolarHBondContact N-O 3.15Å; G25-S346 PolarHBondContact N-OG 2.73Å; D26-S346 PolarHBondContact N-OG 3.49Å; D26-S346 PolarHBondContact O-OG 3.24Å; W342-S346 PolarHBondContact O-N 3Å; I343-S346 WeakPolarHBondContact O-CB 3.49Å; I343-S346 PolarHBondContact O-N 3.23Å; S346-S350 WeakPolarHBondContact O-CB 3.28Å; S346-S350 PolarHBondContact O-N 3.08Å; S346-S350 VanDerWaalsContact O-N 3.15Å; S346-S350 PolarHBondContact O-OG 2.87Å
347	I	95.8	Very high	94.7	Very high	65 Å²	65	46.7 Å²	46.7	33%	0.333	25%	0.247	S	C	.	.	H	α-helix	trans	-60.5	-55.1	175.2	-66.9	165.5	0	0	0	109.7	I343 A349 S350 L351	I343-I347 HydrophobicContact CG2-CD1 3.91Å; I343-I347 WeakPolarHBondContact O-CG1 3.41Å; I343-I347 PolarHBondContact O-N 3.27Å; I347-A349 PolarHBondContact O-N 2.92Å; I347-S350 PolarHBondContact O-N 3.36Å; I347-S350 VanDerWaalsContact O-N 3.08Å; I347-S350 PolarHBondContact O-OG 3.04Å; I347-L351 WeakPolarHBondContact O-CG 3.3Å; I347-L351 PolarHBondContact O-N 2.91Å
348	L	95.1	Very high	94.7	Very high	21 Å²	21	46.1 Å²	46.1	11%	0.11	24%	0.244	C	C	.	.	H	α-helix	trans	-57.6	-47.9	-175.3	-178.2	63.8	0	0	0	112.4	L106 L142 G344 G345 S350 L351 F354	L106-L348 HydrophobicContact CD1-CD2 4.22Å; L142-L348 HydrophobicContact CD2-CB 4.35Å; L142-L348 HydrophobicContact CD2-CD2 3.63Å; G344-L348 VanDerWaalsContact O-CB 3.27Å; G344-L348 WeakPolarHBondContact O-CB 3.21Å; G344-L348 PolarHBondContact O-N 3.21Å; G345-L348 PolarHBondContact O-N 3.32Å; L348-S350 PolarHBondContact O-N 2.8Å; L348-L351 HydrophobicContact CD1-CD1 4.47Å; L348-L351 PolarHBondContact O-N 3.46Å; L348-F354 HydrophobicContact CD1-CD2 3.56Å; L348-F354 HydrophobicContact CD1-CE2 3.94Å; L348-F354 HydrophobicContact CD1-CG 4.2Å; L348-F354 HydrophobicContact CD2-CD2 4.18Å; L348-F354 HydrophobicContact CD2-CE2 3.68Å; L348-F354 HydrophobicContact CD2-CZ 4.09Å; L348-F354 HydrophobicContact CG-CD2 3.63Å; L348-F354 HydrophobicContact CG-CE2 3.62Å; L348-F354 HydrophobicContact CG-CG 4.11Å; L348-F354 HydrophobicContact CG-CZ 4.09Å; L348-F354 WeakPolarHBondContact O-CB 3.25Å; L348-F354 WeakPolarHBondContact O-CG 3.38Å
349	A	95.8	Very high	94.7	Very high	3 Å²	3	42 Å²	42	3%	0.025	23%	0.226	C	C	.	.	H	α-helix	trans	-69.4	-19.2	-179.4	0	0	0	0	0	113.4	A9 V11 A24 L106 G345 I347 W358	A9-A349 HydrophobicContact CB-CB 4.13Å; V11-A349 HydrophobicContact CG2-CB 4.28Å; A24-A349 HydrophobicContact CB-CB 3.66Å; L106-A349 HydrophobicContact CD1-CB 4.23Å; G345-A349 VanDerWaalsContact O-CB 3.24Å; G345-A349 WeakPolarHBondContact O-CB 3.47Å; G345-A349 PolarHBondContact O-N 3.5Å; I347-A349 PolarHBondContact O-N 2.92Å; A349-W358 HydrophobicContact CB-CH2 4.27Å; A349-W358 HydrophobicContact CB-CZ2 4.04Å
350	S	93.5	Very high	94.7	Very high	64 Å²	64	41.1 Å²	41.1	45%	0.448	23%	0.229	S	C	.	.	H	α-helix	trans	-84.4	-11.8	175.3	74.2	0	0	0	0	114.1	S346 I347 L348	S346-S350 WeakPolarHBondContact O-CB 3.28Å; S346-S350 PolarHBondContact O-N 3.08Å; S346-S350 VanDerWaalsContact O-N 3.15Å; S346-S350 PolarHBondContact O-OG 2.87Å; I347-S350 PolarHBondContact O-N 3.36Å; I347-S350 VanDerWaalsContact O-N 3.08Å; I347-S350 PolarHBondContact O-OG 3.04Å; L348-S350 PolarHBondContact O-N 2.8Å
351	L	92	Very high	94.7	Very high	69 Å²	69	43.8 Å²	43.8	36%	0.361	24%	0.24	S	C	.	.			trans	-76	128.1	-179.2	-63.2	176.2	0	0	0	111	I347 L348 T353 F354	I347-L351 WeakPolarHBondContact O-CG 3.3Å; I347-L351 PolarHBondContact O-N 2.91Å; L348-L351 HydrophobicContact CD1-CD1 4.47Å; L348-L351 PolarHBondContact O-N 3.46Å; L351-T353 PolarHBondContact O-N 2.77Å; L351-F354 HydrophobicContact CB-CB 4.14Å; L351-F354 VanDerWaalsContact O-CB 3.27Å; L351-F354 WeakPolarHBondContact O-CB 3.37Å; L351-F354 PolarHBondContact O-N 2.83Å
352	S	89.3	Confident	94.6	Very high	103 Å²	103	49.8 Å²	49.8	72%	0.72	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-59.2	-32.4	175.5	57.8	0	0	0	0	113.1	F354 Q355	S352-F354 PolarHBondContact O-N 2.93Å; S352-Q355 WeakPolarHBondContact O-CB 3.19Å; S352-Q355 WeakPolarHBondContact O-CG 3.1Å; S352-Q355 PolarHBondContact O-N 2.86Å
353	T	88	Confident	94.6	Very high	111 Å²	111	52.2 Å²	52.2	68%	0.681	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-68	-21.8	175	52.6	0	0	0	0	113.2	L351 Q355	L351-T353 PolarHBondContact O-N 2.77Å; T353-Q355 VanDerWaalsContact C-N 3.29Å
354	F	90	Very high	94.6	Very high	10 Å²	10	51.4 Å²	51.4	4%	0.044	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-76.9	-16.6	177.2	-173.4	-105.5	0	0	0	112.6	L106 Y135 L348 L351 S352 Q356 M357 W358	L106-F354 HydrophobicContact CD1-CE1 4.26Å; L106-F354 HydrophobicContact CD1-CZ 4.1Å; Y135-F354 HydrophobicContact CD1-CE2 4.16Å; Y135-F354 AromaticContact CD1-CZ 3.61Å; Y135-F354 HydrophobicContact CD1-CZ 3.61Å; Y135-F354 HydrophobicContact CD2-CE2 4.32Å; Y135-F354 AromaticContact CD2-CZ 3.9Å; Y135-F354 HydrophobicContact CD2-CZ 3.9Å; Y135-F354 HydrophobicContact CE1-CE2 4.12Å; Y135-F354 HydrophobicContact CE1-CZ 4.06Å; Y135-F354 HydrophobicContact CE2-CE2 4.29Å; Y135-F354 HydrophobicContact CE2-CZ 4.32Å; Y135-F354 HydrophobicContact CG-CE1 4.44Å; Y135-F354 HydrophobicContact CG-CE2 4.26Å; Y135-F354 AromaticContact CG-CZ 3.53Å; Y135-F354 HydrophobicContact CG-CZ 3.53Å; L348-F354 HydrophobicContact CD1-CD2 3.56Å; L348-F354 HydrophobicContact CD1-CE2 3.94Å; L348-F354 HydrophobicContact CD1-CG 4.2Å; L348-F354 HydrophobicContact CD2-CD2 4.18Å; L348-F354 HydrophobicContact CD2-CE2 3.68Å; L348-F354 HydrophobicContact CD2-CZ 4.09Å; L348-F354 HydrophobicContact CG-CD2 3.63Å; L348-F354 HydrophobicContact CG-CE2 3.62Å; L348-F354 HydrophobicContact CG-CG 4.11Å; L348-F354 HydrophobicContact CG-CZ 4.09Å; L348-F354 WeakPolarHBondContact O-CB 3.25Å; L348-F354 WeakPolarHBondContact O-CG 3.38Å; L351-F354 HydrophobicContact CB-CB 4.14Å; L351-F354 VanDerWaalsContact O-CB 3.27Å; L351-F354 WeakPolarHBondContact O-CB 3.37Å; L351-F354 PolarHBondContact O-N 2.83Å; S352-F354 PolarHBondContact O-N 2.93Å; F354-Q356 PolarHBondContact O-N 2.7Å; F354-M357 HydrophobicContact CD2-CB 3.78Å; F354-M357 HydrophobicContact CD2-CG 3.95Å; F354-M357 HydrophobicContact CE2-CB 3.73Å; F354-M357 HydrophobicContact CE2-CG 4.26Å; F354-M357 HydrophobicContact CG-CB 4.39Å; F354-M357 HydrophobicContact CZ-CB 4.32Å; F354-M357 VanDerWaalsContact O-CB 3.3Å; F354-M357 WeakPolarHBondContact O-CB 3.13Å; F354-M357 PolarHBondContact O-N 2.89Å; F354-W358 HydrophobicContact CD1-CD2 4.45Å; F354-W358 AromaticContact CD1-CE2 3.83Å; F354-W358 AromaticContact CD1-CZ2 4Å; F354-W358 HydrophobicContact CD1-CZ2 4Å; F354-W358 AromaticContact CD1-NE1 3.9Å; F354-W358 AromaticContact CE1-CD2 3.94Å; F354-W358 HydrophobicContact CE1-CD2 3.94Å; F354-W358 AromaticContact CE1-CE2 3.6Å; F354-W358 HydrophobicContact CE1-CE3 4.25Å; F354-W358 AromaticContact CE1-CH2 3.97Å; F354-W358 HydrophobicContact CE1-CH2 3.97Å; F354-W358 AromaticContact CE1-CZ2 3.62Å; F354-W358 HydrophobicContact CE1-CZ2 3.62Å; F354-W358 HydrophobicContact CE1-CZ3 4.26Å
355	Q	86.6	Confident	94.6	Very high	86 Å²	86	56.4 Å²	56.4	40%	0.402	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-57.9	-28	-176.4	-64.9	-62.9	-12.6	0	0	113.7	S352 T353 M357 W358	S352-Q355 WeakPolarHBondContact O-CB 3.19Å; S352-Q355 WeakPolarHBondContact O-CG 3.1Å; S352-Q355 PolarHBondContact O-N 2.86Å; T353-Q355 VanDerWaalsContact C-N 3.29Å; Q355-M357 VanDerWaalsContact C-N 3.32Å; Q355-W358 VanDerWaalsContact OE1-CD1 3.24Å; Q355-W358 VanDerWaalsContact OE1-NE1 3.12Å
356	Q	90.1	Very high	94.6	Very high	165 Å²	165	63.2 Å²	63.2	77%	0.771	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-80.5	-12.3	178.1	-57.6	-176.4	9.7	0	0	113.9	F354	F354-Q356 PolarHBondContact O-N 2.7Å
357	M	93.7	Very high	94.6	Very high	72 Å²	72	64.6 Å²	64.6	36%	0.355	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-22.1	-177.6	-62.4	-59.4	-62.9	0	0	112.6	Y135 F354 Q355	Y135-M357 HydrophobicContact CD2-CB 4.4Å; Y135-M357 WeakPolarHBondContact CD2-O 3.46Å; Y135-M357 HydrophobicContact CE2-CB 4.11Å; Y135-M357 HydrophobicContact CE2-CE 4.4Å; F354-M357 HydrophobicContact CD2-CB 3.78Å; F354-M357 HydrophobicContact CD2-CG 3.95Å; F354-M357 HydrophobicContact CE2-CB 3.73Å; F354-M357 HydrophobicContact CE2-CG 4.26Å; F354-M357 HydrophobicContact CG-CB 4.39Å; F354-M357 HydrophobicContact CZ-CB 4.32Å; F354-M357 VanDerWaalsContact O-CB 3.3Å; F354-M357 WeakPolarHBondContact O-CB 3.13Å; F354-M357 PolarHBondContact O-N 2.89Å; Q355-M357 VanDerWaalsContact C-N 3.32Å
358	W	96.6	Very high	94.7	Very high	14 Å²	14	62.4 Å²	62.4	5%	0.053	34%	0.338	C	S	.	.	S	Bend	trans	-53.2	142.3	174.7	-69.2	121	0	0	0	111.3	A9 P104 L106 A133 A349 F354 Q355	A9-W358 HydrophobicContact CB-CH2 3.93Å; A9-W358 HydrophobicContact CB-CZ2 3.68Å; P104-W358 HydrophobicContact CB-CD2 4.39Å; P104-W358 HydrophobicContact CB-CE3 4.45Å; P104-W358 HydrophobicContact CB-CH2 4.11Å; P104-W358 HydrophobicContact CB-CZ2 4.03Å; P104-W358 HydrophobicContact CB-CZ3 4.33Å; L106-W358 HydrophobicContact CB-CH2 3.86Å; L106-W358 HydrophobicContact CB-CZ3 4.15Å; A133-W358 HydrophobicContact CB-CB 4.08Å; A133-W358 HydrophobicContact CB-CG 4.34Å; A349-W358 HydrophobicContact CB-CH2 4.27Å; A349-W358 HydrophobicContact CB-CZ2 4.04Å; F354-W358 HydrophobicContact CD1-CD2 4.45Å; F354-W358 AromaticContact CD1-CE2 3.83Å; F354-W358 AromaticContact CD1-CZ2 4Å; F354-W358 HydrophobicContact CD1-CZ2 4Å; F354-W358 AromaticContact CD1-NE1 3.9Å; F354-W358 AromaticContact CE1-CD2 3.94Å; F354-W358 HydrophobicContact CE1-CD2 3.94Å; F354-W358 AromaticContact CE1-CE2 3.6Å; F354-W358 HydrophobicContact CE1-CE3 4.25Å; F354-W358 AromaticContact CE1-CH2 3.97Å; F354-W358 HydrophobicContact CE1-CH2 3.97Å; F354-W358 AromaticContact CE1-CZ2 3.62Å; F354-W358 HydrophobicContact CE1-CZ2 3.62Å; F354-W358 HydrophobicContact CE1-CZ3 4.26Å; Q355-W358 VanDerWaalsContact OE1-CD1 3.24Å; Q355-W358 VanDerWaalsContact OE1-NE1 3.12Å
359	I	98.1	Very high	94.8	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	116.6	162.2	-58.2	161.7	0	0	0	105.1	F126 A133 M134 E363 I371 V372 K375	F126-I359 HydrophobicContact CE2-CB 4.48Å; F126-I359 HydrophobicContact CE2-CG2 3.83Å; F126-I359 HydrophobicContact CZ-CB 4.33Å; F126-I359 HydrophobicContact CZ-CG2 3.87Å; F126-I359 WeakPolarHBondContact CZ-O 3.48Å; A133-I359 CarbonylContact C-O 3.34Å; A133-I359 WeakPolarHBondContact CA-O 3.39Å; A133-I359 WeakPolarHBondContact CB-O 3.42Å; M134-I359 PolarHBondContact N-O 3.29Å; M134-I359 WeakPolarHBondContact O-CB 3.47Å; M134-I359 PolarHBondContact O-N 2.91Å; I359-E363 HydrophobicContact CG2-CB 4.43Å; I359-I371 HydrophobicContact CD1-CG2 4.32Å; I359-I371 HydrophobicContact CG2-CB 4.5Å; I359-I371 HydrophobicContact CG2-CG1 4.03Å; I359-I371 HydrophobicContact CG2-CG2 3.6Å; I359-V372 HydrophobicContact CD1-CB 4.22Å; I359-V372 HydrophobicContact CD1-CG2 4.31Å; I359-K375 HydrophobicContact CD1-CB 4.18Å; I359-K375 HydrophobicContact CG1-CB 3.71Å; I359-K375 HydrophobicContact CG1-CG 4.04Å
360	S	97.5	Very high	94.9	Very high	39 Å²	39	65.1 Å²	65.1	27%	0.273	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	158.8	174.3	62.5	0	0	0	0	111.6	Q362 E363 Y364	S360-Q362 PolarHBondContact O-N 3.27Å; S360-E363 PolarHBondContact N-OE2 3.04Å; S360-E363 PolarHBondContact O-N 3.03Å; S360-E363 VanDerWaalsContact O-N 3.16Å; S360-E363 VanDerWaalsContact OG-CG 3.31Å; S360-E363 WeakPolarHBondContact OG-CG 3.43Å; S360-E363 PolarHBondContact OG-N 3.36Å; S360-E363 PolarHBondContact OG-OE2 3.11Å; S360-E363 VanDerWaalsContact OG-OE2 3.04Å; S360-Y364 PolarHBondContact O-N 3.16Å
361	K	97.5	Very high	95.1	Very high	59 Å²	59	62.6 Å²	62.6	26%	0.257	34%	0.339	S	S	.	.	H	α-helix	trans	-54.3	-38.7	172	-179	65	-177.4	176.7	0	112.3	F126 P132 Y364 D365	F126-K361 HydrophobicContact CB-CD 4.25Å; F126-K361 HydrophobicContact CD1-CB 4.23Å; F126-K361 HydrophobicContact CD1-CD 3.55Å; F126-K361 HydrophobicContact CE1-CB 4.05Å; F126-K361 HydrophobicContact CE1-CD 4.23Å; F126-K361 HydrophobicContact CG-CD 4.21Å; F126-K361 PolarHBondContact O-NZ 3.36Å; P132-K361 PolarHBondContact O-N 3.41Å; K361-Y364 WeakPolarHBondContact O-CB 3.43Å; K361-Y364 PolarHBondContact O-N 3.05Å; K361-D365 VanDerWaalsContact CE-OD1 3.28Å; K361-D365 WeakPolarHBondContact CE-OD1 3.4Å; K361-D365 IonicContact NZ-OD1 3.46Å; K361-D365 PolarHBondContact NZ-OD1 3.2Å; K361-D365 VanDerWaalsContact O-CG 3.24Å; K361-D365 PolarHBondContact O-N 3.41Å
362	Q	97.6	Very high	95.4	Very high	133 Å²	133	59.3 Å²	59.3	62%	0.621	32%	0.322	S	S	*	.	H	α-helix	trans	-62.2	-48.5	176.3	-176.2	-175.4	-10.2	0	0	112	S360 Y364 D365 E366	S360-Q362 PolarHBondContact O-N 3.27Å; Q362-Y364 PolarHBondContact O-N 3Å; Q362-D365 PolarHBondContact O-N 2.91Å; Q362-E366 PolarHBondContact NE2-OE1 3.32Å; Q362-E366 WeakPolarHBondContact O-CG 3.24Å; Q362-E366 PolarHBondContact O-N 3.27Å
363	E	98	Very high	95.7	Very high	52 Å²	52	56.4 Å²	56.4	24%	0.243	30%	0.297	C	S	.	.	H	α-helix	trans	-62.1	-35.4	177.9	-72.2	169.5	125.8	0	0	111.9	I359 S360 A367 I371 K375	I359-E363 HydrophobicContact CG2-CB 4.43Å; S360-E363 PolarHBondContact N-OE2 3.04Å; S360-E363 PolarHBondContact O-N 3.03Å; S360-E363 VanDerWaalsContact O-N 3.16Å; S360-E363 VanDerWaalsContact OG-CG 3.31Å; S360-E363 WeakPolarHBondContact OG-CG 3.43Å; S360-E363 PolarHBondContact OG-N 3.36Å; S360-E363 PolarHBondContact OG-OE2 3.11Å; S360-E363 VanDerWaalsContact OG-OE2 3.04Å; E363-A367 WeakPolarHBondContact O-CB 3.42Å; E363-A367 PolarHBondContact O-N 3.35Å; E363-I371 HydrophobicContact CB-CG1 4.38Å; E363-K375 WeakPolarHBondContact OE1-CE 3.28Å; E363-K375 IonicContact OE1-NZ 3.21Å; E363-K375 PolarHBondContact OE1-NZ 2.82Å; E363-K375 IonicContact OE2-NZ 2.74Å
364	Y	98.3	Very high	96	Very high	9 Å²	9	58.9 Å²	58.9	4%	0.035	29%	0.294	C	S	.	.	H	α-helix	trans	-64.1	-48.2	172.6	174.1	-97.3	0	0	0	112.2	T122 F126 E127 S360 K361 Q362 E366 A367 G368 P369	T122-Y364 HydrophobicContact CG2-CD2 3.79Å; T122-Y364 HydrophobicContact CG2-CE2 3.99Å; F126-Y364 HydrophobicContact CB-CD1 3.64Å; F126-Y364 HydrophobicContact CB-CD2 4.29Å; F126-Y364 HydrophobicContact CB-CE1 3.73Å; F126-Y364 HydrophobicContact CB-CE2 4.34Å; F126-Y364 HydrophobicContact CB-CG 3.93Å; F126-Y364 HydrophobicContact CD1-CG 4.48Å; F126-Y364 AromaticContact CD2-CD1 3.97Å; F126-Y364 HydrophobicContact CD2-CD1 3.97Å; F126-Y364 AromaticContact CD2-CD2 3.33Å; F126-Y364 HydrophobicContact CD2-CD2 3.33Å; F126-Y364 AromaticContact CD2-CE2 3.97Å; F126-Y364 HydrophobicContact CD2-CE2 3.97Å; F126-Y364 AromaticContact CD2-CG 3.31Å; F126-Y364 HydrophobicContact CD2-CG 3.31Å; F126-Y364 AromaticContact CE2-CD2 3.88Å; F126-Y364 HydrophobicContact CE2-CD2 3.88Å; F126-Y364 AromaticContact CE2-CG 3.82Å; F126-Y364 HydrophobicContact CE2-CG 3.82Å; F126-Y364 AromaticContact CG-CD1 3.86Å; F126-Y364 HydrophobicContact CG-CD1 3.86Å; F126-Y364 HydrophobicContact CG-CD2 4.08Å; F126-Y364 HydrophobicContact CG-CE1 4.4Å; F126-Y364 AromaticContact CG-CG 3.68Å; F126-Y364 HydrophobicContact CG-CG 3.68Å; E127-Y364 VanDerWaalsContact CD-OH 3.31Å; E127-Y364 HydrophobicContact CG-CE1 4.11Å; E127-Y364 PolarHBondContact OE1-OH 3.01Å; S360-Y364 PolarHBondContact O-N 3.16Å; K361-Y364 WeakPolarHBondContact O-CB 3.43Å; K361-Y364 PolarHBondContact O-N 3.05Å; Q362-Y364 PolarHBondContact O-N 3Å; Y364-E366 PolarHBondContact O-N 2.73Å; Y364-A367 PolarHBondContact O-N 2.85Å; Y364-G368 WeakPolarHBondContact O-CA 3.45Å; Y364-G368 PolarHBondContact O-N 3.41Å; Y364-P369 HydrophobicContact CE2-CB 4.36Å; Y364-P369 HydrophobicContact CE2-CG 3.9Å
365	D	98.2	Very high	96.2	Very high	105 Å²	105	60.8 Å²	60.8	56%	0.561	30%	0.302	S	S	*	.	H	α-helix	trans	-63.7	-29.3	-178.7	-67.2	-21.9	0	0	0	111.6	K361 Q362	K361-D365 VanDerWaalsContact CE-OD1 3.28Å; K361-D365 WeakPolarHBondContact CE-OD1 3.4Å; K361-D365 IonicContact NZ-OD1 3.46Å; K361-D365 PolarHBondContact NZ-OD1 3.2Å; K361-D365 VanDerWaalsContact O-CG 3.24Å; K361-D365 PolarHBondContact O-N 3.41Å; Q362-D365 PolarHBondContact O-N 2.91Å
366	E	97.8	Very high	96.6	Very high	144 Å²	144	56.7 Å²	56.7	67%	0.673	28%	0.283	S	S	*	.	H	α-helix	trans	-80	-42.2	177	-70.9	176.8	-165.5	0	0	114	Q362 Y364	Q362-E366 PolarHBondContact NE2-OE1 3.32Å; Q362-E366 WeakPolarHBondContact O-CG 3.24Å; Q362-E366 PolarHBondContact O-N 3.27Å; Y364-E366 PolarHBondContact O-N 2.73Å
367	A	97.4	Very high	96.3	Very high	32 Å²	32	56.4 Å²	56.4	26%	0.264	28%	0.28	S	S	.	.	H	α-helix	trans	-108.7	-9.2	-171.4	0	0	0	0	0	114.7	E363 Y364 S370 I371	E363-A367 WeakPolarHBondContact O-CB 3.42Å; E363-A367 PolarHBondContact O-N 3.35Å; Y364-A367 PolarHBondContact O-N 2.85Å; A367-S370 PolarHBondContact O-OG 3.17Å; A367-I371 HydrophobicContact CB-CB 3.98Å; A367-I371 HydrophobicContact CB-CD1 4Å; A367-I371 HydrophobicContact CB-CG1 4.29Å
368	G	97.8	Very high	96.4	Very high	20 Å²	20	55.7 Å²	55.7	21%	0.206	28%	0.276	C	S	.	.			trans	64.6	-168.1	-172.9	0	0	0	0	0	113.6	Y364 S370 I371	Y364-G368 WeakPolarHBondContact O-CA 3.45Å; Y364-G368 PolarHBondContact O-N 3.41Å; G368-S370 PolarHBondContact O-N 3.19Å; G368-I371 WeakPolarHBondContact O-CB 3.36Å; G368-I371 WeakPolarHBondContact O-CG2 3.41Å; G368-I371 PolarHBondContact O-N 2.8Å; G368-I371 VanDerWaalsContact O-N 3.17Å
369	P	97.5	Very high	96.4	Very high	36 Å²	36	57.8 Å²	57.8	23%	0.234	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-55.5	-26.3	-176.6	-28.1	34.5	0	0	0	115.4	E119 Q123 Y364 I371 V372	E119-P369 HydrophobicContact CB-CB 3.73Å; E119-P369 HydrophobicContact CG-CB 4.05Å; Q123-P369 HydrophobicContact CB-CG 4.19Å; Y364-P369 HydrophobicContact CE2-CB 4.36Å; Y364-P369 HydrophobicContact CE2-CG 3.9Å; P369-I371 PolarHBondContact O-N 3.35Å; P369-I371 VanDerWaalsContact O-N 3.13Å; P369-V372 WeakPolarHBondContact O-CG1 2.94Å; P369-V372 PolarHBondContact O-N 3.29Å
370	S	97.6	Very high	96.3	Very high	44 Å²	44	61.1 Å²	61.1	31%	0.308	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-65.6	-14.3	-177.9	75.6	0	0	0	0	114.2	A367 G368 V372 H373	A367-S370 PolarHBondContact O-OG 3.17Å; G368-S370 PolarHBondContact O-N 3.19Å; S370-V372 PolarHBondContact O-N 2.94Å; S370-H373 PolarHBondContact O-CD2 3Å; S370-H373 PolarHBondContact O-N 3.42Å; S370-H373 VanDerWaalsContact O-N 3.12Å
371	I	97.9	Very high	96.2	Very high	12 Å²	12	62.4 Å²	62.4	6%	0.062	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-56.2	-30.4	177.5	-168.8	54	0	0	0	112.7	T122 I359 E363 A367 G368 P369 H373 R374 K375	T122-I371 HydrophobicContact CG2-CG2 4.33Å; I359-I371 HydrophobicContact CD1-CG2 4.32Å; I359-I371 HydrophobicContact CG2-CB 4.5Å; I359-I371 HydrophobicContact CG2-CG1 4.03Å; I359-I371 HydrophobicContact CG2-CG2 3.6Å; E363-I371 HydrophobicContact CB-CG1 4.38Å; A367-I371 HydrophobicContact CB-CB 3.98Å; A367-I371 HydrophobicContact CB-CD1 4Å; A367-I371 HydrophobicContact CB-CG1 4.29Å; G368-I371 WeakPolarHBondContact O-CB 3.36Å; G368-I371 WeakPolarHBondContact O-CG2 3.41Å; G368-I371 PolarHBondContact O-N 2.8Å; G368-I371 VanDerWaalsContact O-N 3.17Å; P369-I371 PolarHBondContact O-N 3.35Å; P369-I371 VanDerWaalsContact O-N 3.13Å; I371-H373 PolarHBondContact O-N 3.11Å; I371-R374 HydrophobicContact CD1-CB 4.4Å; I371-R374 WeakPolarHBondContact O-CB 3.4Å; I371-R374 PolarHBondContact O-N 3Å; I371-K375 HydrophobicContact CD1-CG 4.42Å; I371-K375 PolarHBondContact O-N 3.46Å
372	V	97.9	Very high	96.1	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-57	-33	178.2	72	0	0	0	0	112.8	R118 E119 T122 V136 I359 P369 S370 R374 C376	R118-V372 HydrophobicContact CB-CG1 3.71Å; R118-V372 HydrophobicContact CB-CG2 4.18Å; E119-V372 HydrophobicContact CG-CG1 4.4Å; T122-V372 WeakPolarHBondContact OG1-CB 3.25Å; V136-V372 HydrophobicContact CB-CG2 4.33Å; V136-V372 HydrophobicContact CG2-CG2 4Å; I359-V372 HydrophobicContact CD1-CB 4.22Å; I359-V372 HydrophobicContact CD1-CG2 4.31Å; P369-V372 WeakPolarHBondContact O-CG1 2.94Å; P369-V372 PolarHBondContact O-N 3.29Å; S370-V372 PolarHBondContact O-N 2.94Å; V372-R374 PolarHBondContact O-N 3.07Å; V372-C376 HydrophobicContact CG2-CB 4.05Å; V372-C376 WeakPolarHBondContact O-CB 3.31Å; V372-C376 PolarHBondContact O-N 2.77Å
373	H	96.5	Very high	96	Very high	42 Å²	42	57.9 Å²	57.9	19%	0.194	29%	0.288	C	S	.	.	H	α-helix	trans	-75.6	-12.9	179.1	-52.8	-51.5	0	0	0	113.7	K115 E119 S370 I371	K115-H373 VanDerWaalsContact CB-CE1 3.46Å; K115-H373 WeakPolarHBondContact CB-CE1 3.4Å; K115-H373 PolarHBondContact O-CE1 3.17Å; E119-H373 WeakPolarHBondContact CG-NE2 3.47Å; E119-H373 IonicContact OE1-CD2 2.79Å; E119-H373 PolarHBondContact OE1-CD2 3.18Å; E119-H373 IonicContact OE1-CE1 2.74Å; E119-H373 IonicContact OE1-NE2 3.44Å; E119-H373 PolarHBondContact OE1-NE2 3.22Å; S370-H373 PolarHBondContact O-CD2 3Å; S370-H373 PolarHBondContact O-N 3.42Å; S370-H373 VanDerWaalsContact O-N 3.12Å; I371-H373 PolarHBondContact O-N 3.11Å
374	R	94.3	Very high	95.9	Very high	163 Å²	163	58.3 Å²	58.3	62%	0.615	29%	0.291	S	S	*	.	H	α-helix	trans	-99.6	-20.5	179.5	-58.5	-177.4	-173.8	169.9	4	113	I371 V372 F377	I371-R374 HydrophobicContact CD1-CB 4.4Å; I371-R374 WeakPolarHBondContact O-CB 3.4Å; I371-R374 PolarHBondContact O-N 3Å; V372-R374 PolarHBondContact O-N 3.07Å; R374-F377 WeakPolarHBondContact O-CE2 3.43Å; R374-F377 WeakPolarHBondContact O-CZ 3.28Å
375	K	94.1	Very high	95.7	Very high	49 Å²	49	62.1 Å²	62.1	21%	0.213	31%	0.31	C	S	.	.	H	α-helix	trans	-114.3	-33.6	-173.7	-75	-82.1	-168.2	138.4	0	113	Y135 I359 E363 I371	Y135-K375 WeakPolarHBondContact CE2-O 3.4Å; I359-K375 HydrophobicContact CD1-CB 4.18Å; I359-K375 HydrophobicContact CG1-CB 3.71Å; I359-K375 HydrophobicContact CG1-CG 4.04Å; E363-K375 WeakPolarHBondContact OE1-CE 3.28Å; E363-K375 IonicContact OE1-NZ 3.21Å; E363-K375 PolarHBondContact OE1-NZ 2.82Å; E363-K375 IonicContact OE2-NZ 2.74Å; I371-K375 HydrophobicContact CD1-CG 4.42Å; I371-K375 PolarHBondContact O-N 3.46Å
376	C	93.3	Very high	95.5	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.007	29%	0.289	C	S	.	.			trans	-105.7	100.4	-177.9	-57.1	0	0	0	0	109.7	R118 Y135 V136 V372	R118-C376 VanDerWaalsContact CZ-O 3.29Å; R118-C376 PolarHBondContact NH1-O 2.97Å; R118-C376 PolarHBondContact NH2-O 2.92Å; Y135-C376 WeakPolarHBondContact CD2-SG 3.34Å; Y135-C376 HydrophobicContact CE2-CB 4.27Å; Y135-C376 VanDerWaalsContact CE2-SG 3.54Å; V136-C376 HydrophobicContact CB-CB 4.38Å; V136-C376 PolarHBondContact N-SG 3.13Å; V136-C376 VanDerWaalsContact O-CB 3.32Å; V136-C376 WeakPolarHBondContact O-CB 3.47Å; V372-C376 HydrophobicContact CG2-CB 4.05Å; V372-C376 WeakPolarHBondContact O-CB 3.31Å; V372-C376 PolarHBondContact O-N 2.77Å
377	F	83.9	Confident	95.3	Very high	159 Å²	159	50.7 Å²	50.7	70%	0.697	26%	0.255	S	S	*	.			trans	-100.3	0	-178.5	-62.8	-74.6	0	0	0	113.2	R374	R374-F377 WeakPolarHBondContact O-CE2 3.43Å; R374-F377 WeakPolarHBondContact O-CZ 3.28Å

Retrieved 377 of 377 residues in 370.4 ms (Link to these results)

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