A0A077ZAY1_TRITR Loading...

HTH 18 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZAY1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 275 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	91.3	Very high	93.3	Very high	54 Å²	54	58.4 Å²	58.4	27%	0.266	29%	0.292	S	S	.	.				0	134.8	0	178.1	-177.1	-68.5	0	0	106.1	L71 P72 L75 W79 L115 I127 I130	M1-L71 HydrophobicContact CE-CD2 3.99Å; M1-L71 HydrophobicContact CG-CD2 4.08Å; M1-L71 HydrophobicContact SD-CD2 4.07Å; M1-P72 HydrophobicContact CB-CG 4.13Å; M1-L75 HydrophobicContact CE-CD1 3.65Å; M1-W79 HydrophobicContact CE-CH2 3.71Å; M1-W79 HydrophobicContact CE-CZ2 3.77Å; M1-L115 HydrophobicContact CG-CD1 4.08Å; M1-L115 HydrophobicContact SD-CD1 4.07Å; M1-L115 HydrophobicContact SD-CD2 4.21Å; M1-I127 HydrophobicContact CE-CB 4.42Å; M1-I127 HydrophobicContact CE-CG1 4Å; M1-I127 HydrophobicContact CE-CG2 4.16Å; M1-I127 HydrophobicContact SD-CG1 4.11Å; M1-I130 HydrophobicContact SD-CD1 3.41Å; M1-I130 WeakPolarHBondContact SD-CD1 3.34Å; M1-I130 HydrophobicContact SD-CG2 4.49Å
2	E	92	Very high	92.1	Very high	115 Å²	115	60.9 Å²	60.9	54%	0.537	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	142.4	-178.1	-65.6	167.1	179.8	0	0	109.4	F69 N70	E2-F69 WeakPolarHBondContact O-CA 3.31Å; E2-N70 HydrophobicContact CB-CB 4.28Å; E2-N70 PolarHBondContact N-O 3.29Å; E2-N70 PolarHBondContact O-N 2.88Å
3	I	95.2	Very high	91.3	Very high	13 Å²	13	62.6 Å²	62.6	7%	0.067	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	130	177.5	-59.5	178.1	0	0	0	107.9	I68 F69 V108 W111 Q112 L115 I130	I3-I68 WeakPolarHBondContact CA-O 3.42Å; I3-F69 HydrophobicContact CD1-CD1 3.64Å; I3-F69 HydrophobicContact CD1-CE1 3.57Å; I3-F69 HydrophobicContact CG1-CD1 3.59Å; I3-F69 HydrophobicContact CG1-CE1 3.98Å; I3-F69 HydrophobicContact CG1-CG 4.27Å; I3-F69 HydrophobicContact CG2-CD1 4.34Å; I3-F69 HydrophobicContact CG2-CE1 4.22Å; I3-F69 HydrophobicContact CG2-CZ 4.44Å; I3-V108 HydrophobicContact CG2-CG1 3.68Å; I3-W111 HydrophobicContact CD1-CB 3.6Å; I3-Q112 HydrophobicContact CB-CB 4.48Å; I3-Q112 HydrophobicContact CG2-CB 4.34Å; I3-Q112 WeakPolarHBondContact O-CG 3.18Å; I3-Q112 PolarHBondContact O-NE2 2.77Å; I3-L115 HydrophobicContact CB-CD1 4.36Å; I3-L115 HydrophobicContact CD1-CD1 3.39Å; I3-L115 HydrophobicContact CG1-CD1 3.59Å; I3-I130 HydrophobicContact CD1-CD1 3.58Å; I3-I130 HydrophobicContact CD1-CG1 4.49Å
4	E	94.4	Very high	90.9	Very high	63 Å²	63	61.4 Å²	61.4	29%	0.294	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	132.2	173.1	-63.2	176	-164.8	0	0	108.7	R6 A67 I68	E4-R6 HydrophobicContact CB-CG 4.46Å; E4-R6 IonicContact OE2-CZ 3.22Å; E4-R6 IonicContact OE2-NE 2.7Å; E4-R6 PolarHBondContact OE2-NE 2.88Å; E4-R6 IonicContact OE2-NH2 2.85Å; E4-R6 PolarHBondContact OE2-NH2 3.4Å; E4-A67 CarbonylContact O-C 3.57Å; E4-A67 VanDerWaalsContact O-CA 3.32Å; E4-A67 WeakPolarHBondContact O-CA 3.42Å; E4-I68 HydrophobicContact CB-CB 4.42Å; E4-I68 PolarHBondContact N-O 3.37Å; E4-I68 PolarHBondContact O-N 3.44Å
5	F	96.1	Very high	90.4	Very high	41 Å²	41	60.7 Å²	60.7	18%	0.18	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	106.2	167.6	-178.5	-99.6	0	0	0	108.6	F26 M66 A67 P105 V108 R109	F5-F26 HydrophobicContact CD2-CD2 4.48Å; F5-F26 AromaticContact CD2-CE2 3.99Å; F5-F26 HydrophobicContact CD2-CE2 3.99Å; F5-F26 AromaticContact CE2-CD2 3.69Å; F5-F26 HydrophobicContact CE2-CD2 3.69Å; F5-F26 AromaticContact CE2-CE2 3.55Å; F5-F26 HydrophobicContact CE2-CE2 3.55Å; F5-M66 WeakPolarHBondContact CA-O 3.46Å; F5-A67 HydrophobicContact CD2-CB 4.5Å; F5-P105 HydrophobicContact CE2-CB 3.83Å; F5-P105 HydrophobicContact CE2-CG 4.17Å; F5-P105 HydrophobicContact CZ-CB 3.72Å; F5-P105 HydrophobicContact CZ-CG 4.18Å; F5-V108 HydrophobicContact CB-CG1 3.82Å; F5-V108 HydrophobicContact CD2-CB 4.33Å; F5-V108 HydrophobicContact CD2-CG1 4.01Å; F5-V108 HydrophobicContact CG-CG1 4.26Å; F5-R109 HydrophobicContact CD1-CG 3.95Å; F5-R109 HydrophobicContact CG-CG 4.3Å; F5-R109 VanDerWaalsContact CZ-NH1 3.34Å
6	R	94.7	Very high	90	Very high	71 Å²	71	58.8 Å²	58.8	27%	0.268	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	172.9	-172.3	59.1	176.7	176	102.9	-10.9	111.8	E4 H9 M66	E4-R6 HydrophobicContact CB-CG 4.46Å; E4-R6 IonicContact OE2-CZ 3.22Å; E4-R6 IonicContact OE2-NE 2.7Å; E4-R6 PolarHBondContact OE2-NE 2.88Å; E4-R6 IonicContact OE2-NH2 2.85Å; E4-R6 PolarHBondContact OE2-NH2 3.4Å; R6-H9 PolarHBondContact NH1-CD2 2.93Å; R6-H9 PolarHBondContact NH1-NE2 2.89Å; R6-H9 PolarHBondContact NH2-NE2 3.13Å; R6-M66 PolarHBondContact N-O 3.12Å; R6-M66 PolarHBondContact O-N 2.85Å; R6-M66 VanDerWaalsContact O-O 3.12Å
7	A	95.4	Very high	89.6	Confident	56 Å²	56	56.1 Å²	56.1	46%	0.463	30%	0.296	S	S	.	.			trans	-65.6	137.5	166.8	0	0	0	0	0	110.6	Q64	A7-Q64 WeakPolarHBondContact CA-O 3.48Å; A7-Q64 VanDerWaalsContact CB-O 3.32Å; A7-Q64 WeakPolarHBondContact CB-O 3.5Å; A7-Q64 PolarHBondContact N-O 3.38Å
8	P	94.6	Very high	89.3	Confident	14 Å²	14	53.1 Å²	53.1	9%	0.091	28%	0.281	C	S	.	.			trans	-64.8	147.3	172.8	28.8	-33.7	0	0	0	110.1	V30 L57 T60 C63 M66	P8-V30 HydrophobicContact CB-CG1 4.23Å; P8-V30 HydrophobicContact CG-CG1 4.07Å; P8-L57 HydrophobicContact CB-CD1 3.62Å; P8-T60 HydrophobicContact CB-CG2 4.05Å; P8-T60 HydrophobicContact CG-CG2 4.18Å; P8-T60 WeakPolarHBondContact O-CG2 3.23Å; P8-C63 WeakPolarHBondContact CD-O 3.47Å; P8-C63 HydrophobicContact CG-CB 3.83Å; P8-C63 WeakPolarHBondContact CG-O 3.31Å; P8-M66 HydrophobicContact CB-SD 3.92Å
9	H	92.5	Very high	89.4	Confident	98 Å²	98	53.2 Å²	53.2	45%	0.454	28%	0.279	S	S	.	.			trans	-128.5	147.1	172.2	64.4	37.7	0	0	0	109.7	R6 M11	R6-H9 PolarHBondContact NH1-CD2 2.93Å; R6-H9 PolarHBondContact NH1-NE2 2.89Å; R6-H9 PolarHBondContact NH2-NE2 3.13Å; H9-M11 PolarHBondContact O-N 3.24Å
10	I	91.8	Very high	89.7	Confident	100 Å²	100	50.5 Å²	50.5	51%	0.513	27%	0.265	S	S	.	.			trans	-62.4	127	173.5	-62	178.2	0	0	0	108.9	T60	I10-T60 HydrophobicContact CG1-CG2 4.04Å
11	M	88.4	Confident	90.1	Very high	17 Å²	17	48.5 Å²	48.5	8%	0.084	26%	0.255	C	S	.	.			trans	-79.4	130.9	174	-70.7	172.3	54.7	0	0	108.7	H9 T13 H15 H55 Q56 L57	H9-M11 PolarHBondContact O-N 3.24Å; M11-T13 VanDerWaalsContact C-N 3.32Å; M11-T13 PolarHBondContact O-N 3.17Å; M11-H15 WeakPolarHBondContact CE-CE1 3.32Å; M11-H15 WeakPolarHBondContact CE-ND1 3.46Å; M11-H55 WeakPolarHBondContact CE-O 3.25Å; M11-Q56 HydrophobicContact CB-CG 3.62Å; M11-Q56 WeakPolarHBondContact O-CG 3.4Å; M11-Q56 PolarHBondContact O-NE2 3.09Å; M11-L57 HydrophobicContact CG-CB 4.02Å; M11-L57 PolarHBondContact N-O 2.95Å; M11-L57 HydrophobicContact SD-CB 3.97Å; M11-L57 PolarHBondContact SD-N 3.27Å
12	P	79.2	Confident	90.4	Very high	89 Å²	89	46 Å²	46	58%	0.578	24%	0.242	S	C	*	.	S	Bend	trans	-71.1	-28.8	-175.5	27	-35	0	0	0	113.2
13	T	81.2	Confident	90.6	Very high	83 Å²	83	40.5 Å²	40.5	51%	0.509	22%	0.217	S	C	.	.	S	Bend	trans	-145.7	151.2	-179.9	57.9	0	0	0	0	109.1	M11	M11-T13 VanDerWaalsContact C-N 3.32Å; M11-T13 PolarHBondContact O-N 3.17Å
14	S	85.5	Confident	90.7	Very high	45 Å²	45	40 Å²	40	32%	0.315	21%	0.214	S	C	.	.			trans	-61.4	143.6	168.7	-37.4	0	0	0	0	111	H55 Q56	S14-H55 VanDerWaalsContact CA-O 3.27Å; S14-H55 WeakPolarHBondContact CA-O 3.43Å; S14-Q56 PolarHBondContact OG-OE1 3.48Å
15	H	83.7	Confident	90.9	Very high	51 Å²	51	37 Å²	37	24%	0.236	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-135.6	178.3	169.9	71.6	-117	0	0	0	110.2	M11 H17 P54 H55	M11-H15 WeakPolarHBondContact CE-CE1 3.32Å; M11-H15 WeakPolarHBondContact CE-ND1 3.46Å; H15-H17 AromaticContact CD2-CD2 3.74Å; H15-H17 AromaticContact NE2-CD2 3.55Å; H15-P54 CarbonylContact O-C 3.46Å; H15-P54 VanDerWaalsContact O-CA 3.27Å; H15-P54 WeakPolarHBondContact O-CA 3.31Å; H15-H55 AromaticContact CD2-CE1 3.69Å; H15-H55 AromaticContact CD2-NE2 3.37Å; H15-H55 PolarHBondContact CD2-NE2 3.46Å; H15-H55 PolarHBondContact N-O 3.39Å; H15-H55 AromaticContact NE2-CE1 3.92Å; H15-H55 AromaticContact NE2-NE2 3.17Å; H15-H55 PolarHBondContact NE2-NE2 2.89Å; H15-H55 VanDerWaalsContact NE2-NE2 3.17Å; H15-H55 PolarHBondContact O-CE1 3.36Å; H15-H55 PolarHBondContact O-N 2.99Å; H15-H55 PolarHBondContact O-ND1 2.89Å
16	W	83.9	Confident	90.9	Very high	30 Å²	30	37.1 Å²	37.1	11%	0.114	20%	0.201	C	C	.	.			trans	-145.7	155.1	175.8	57.8	-86.7	0	0	0	108.8	A51 A215 I218 N219 R222 Y254	W16-A51 CarbonylContact C-O 3.56Å; W16-A51 WeakPolarHBondContact CA-O 3.35Å; W16-A51 VanDerWaalsContact CB-O 3.32Å; W16-A51 WeakPolarHBondContact CB-O 3.39Å; W16-A215 HydrophobicContact CE3-CB 4.29Å; W16-A215 VanDerWaalsContact CH2-CA 3.44Å; W16-A215 HydrophobicContact CH2-CB 3.6Å; W16-A215 HydrophobicContact CZ3-CB 3.2Å; W16-I218 HydrophobicContact CH2-CB 4.34Å; W16-I218 HydrophobicContact CH2-CG2 4.35Å; W16-I218 HydrophobicContact CZ2-CG2 4.17Å; W16-N219 PolarHBondContact O-OD1 2.96Å; W16-R222 PolarHBondContact O-NH1 3.34Å; W16-Y254 AromaticContact CE2-CD1 3.76Å; W16-Y254 AromaticContact CH2-CD1 3.69Å; W16-Y254 HydrophobicContact CH2-CD1 3.69Å; W16-Y254 AromaticContact CH2-CE1 3.98Å; W16-Y254 HydrophobicContact CH2-CE1 3.98Å; W16-Y254 AromaticContact CZ2-CD1 3.11Å; W16-Y254 HydrophobicContact CZ2-CD1 3.11Å; W16-Y254 AromaticContact CZ2-CE1 3.84Å; W16-Y254 HydrophobicContact CZ2-CE1 3.84Å; W16-Y254 AromaticContact CZ2-CG 3.91Å; W16-Y254 HydrophobicContact CZ2-CG 3.91Å; W16-Y254 PolarHBondContact NE1-O 2.89Å
17	H	83.2	Confident	91	Very high	14 Å²	14	36.4 Å²	36.4	7%	0.065	20%	0.202	C	C	.	.			trans	-150.1	173.5	175	58	78.4	0	0	0	111.8	H15 Q19 E21 A51 C52 H55 N70 N219	H15-H17 AromaticContact CD2-CD2 3.74Å; H15-H17 AromaticContact NE2-CD2 3.55Å; H17-Q19 VanDerWaalsContact C-N 3.35Å; H17-Q19 PolarHBondContact ND1-OE1 3.26Å; H17-E21 IonicContact CE1-OE2 3.45Å; H17-E21 PolarHBondContact CE1-OE2 2.78Å; H17-E21 IonicContact NE2-OE2 2.83Å; H17-E21 PolarHBondContact NE2-OE2 3.43Å; H17-A51 WeakPolarHBondContact CE1-CB 3.46Å; H17-A51 PolarHBondContact N-O 3.3Å; H17-A51 WeakPolarHBondContact ND1-CB 3.25Å; H17-A51 WeakPolarHBondContact NE2-CB 3.26Å; H17-A51 CarbonylContact O-C 3.46Å; H17-C52 WeakPolarHBondContact O-CA 3.47Å; H17-C52 PolarHBondContact O-N 2.9Å; H17-H55 AromaticContact CD2-CE1 3.71Å; H17-H55 AromaticContact CD2-NE2 3.71Å; H17-H55 AromaticContact NE2-CE1 3.71Å; H17-H55 AromaticContact NE2-NE2 3.5Å; H17-H55 PolarHBondContact NE2-NE2 2.63Å; H17-N70 PolarHBondContact CE1-OD1 2.97Å; H17-N70 PolarHBondContact NE2-OD1 2.92Å; H17-N219 WeakPolarHBondContact CA-ND2 3.34Å
18	G	84.6	Confident	91	Very high	2 Å²	2	33.9 Å²	33.9	2%	0.021	18%	0.182	C	C	.	.	S	Bend	trans	-84.6	-9.7	-169.1	0	0	0	0	0	114.5	W50	G18-W50 PolarHBondContact O-NE1 2.84Å; G18-W50 VanDerWaalsContact O-NE1 3.16Å
19	Q	91.6	Very high	91.1	Very high	54 Å²	54	36.6 Å²	36.6	25%	0.252	20%	0.195	S	C	.	.	S	Bend	trans	-84.3	161.1	-170.9	-63.8	91.5	-55.2	0	0	111.6	H17 W50 A51 N70 L71	H17-Q19 VanDerWaalsContact C-N 3.35Å; H17-Q19 PolarHBondContact ND1-OE1 3.26Å; Q19-W50 VanDerWaalsContact O-CD1 3.31Å; Q19-A51 WeakPolarHBondContact O-CB 3.04Å; Q19-A51 PolarHBondContact O-N 3.02Å; Q19-N70 HydrophobicContact CB-CB 4.23Å; Q19-N70 HydrophobicContact CG-CB 4.23Å; Q19-L71 CarbonylContact C-O 3.59Å; Q19-L71 WeakPolarHBondContact CA-O 3.35Å; Q19-L71 VanDerWaalsContact CB-O 3.27Å; Q19-L71 WeakPolarHBondContact CB-O 3.48Å
20	V	95.5	Very high	91.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	124.1	160.3	176.4	0	0	0	0	106.8	L48 L71 M73 F76 V89	V20-L48 HydrophobicContact CG1-CD1 4.44Å; V20-L71 HydrophobicContact CB-CB 4.26Å; V20-L71 PolarHBondContact N-O 2.91Å; V20-L71 WeakPolarHBondContact O-CB 3.3Å; V20-L71 PolarHBondContact O-N 3.46Å; V20-M73 HydrophobicContact CG2-CE 3.43Å; V20-M73 VanDerWaalsContact CG2-CE 3.43Å; V20-M73 HydrophobicContact CG2-SD 3.89Å; V20-F76 HydrophobicContact CB-CD2 4.39Å; V20-F76 HydrophobicContact CB-CG 4.4Å; V20-F76 HydrophobicContact CG1-CD2 4.24Å; V20-F76 HydrophobicContact CG1-CE2 4.32Å; V20-F76 HydrophobicContact CG2-CB 4.09Å; V20-F76 HydrophobicContact CG2-CD1 3.84Å; V20-F76 HydrophobicContact CG2-CD2 4.13Å; V20-F76 HydrophobicContact CG2-CE1 4.32Å; V20-F76 HydrophobicContact CG2-CG 3.74Å; V20-V89 HydrophobicContact CG1-CG1 4.16Å; V20-V89 HydrophobicContact CG2-CG1 4.08Å
21	E	96.9	Very high	91.7	Very high	9 Å²	9	29 Å²	29	4%	0.042	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	131.6	176.9	-164.3	174.4	116.8	0	0	109.3	H17 N23 L48 F49 A51 H55 I68 F69	H17-E21 IonicContact CE1-OE2 3.45Å; H17-E21 PolarHBondContact CE1-OE2 2.78Å; H17-E21 IonicContact NE2-OE2 2.83Å; H17-E21 PolarHBondContact NE2-OE2 3.43Å; E21-N23 WeakPolarHBondContact CG-ND2 3.44Å; E21-N23 PolarHBondContact OE1-ND2 3.28Å; E21-N23 PolarHBondContact OE1-OD1 3.41Å; E21-L48 VanDerWaalsContact O-CA 3.24Å; E21-L48 WeakPolarHBondContact O-CA 3.4Å; E21-F49 HydrophobicContact CB-CD2 4.49Å; E21-F49 HydrophobicContact CB-CE1 4.24Å; E21-F49 HydrophobicContact CB-CE2 3.97Å; E21-F49 HydrophobicContact CB-CZ 3.82Å; E21-F49 HydrophobicContact CG-CZ 4.14Å; E21-F49 PolarHBondContact N-O 2.92Å; E21-F49 PolarHBondContact O-N 2.92Å; E21-F49 WeakPolarHBondContact OE1-CZ 3.46Å; E21-A51 HydrophobicContact CB-CB 4.01Å; E21-H55 IonicContact OE2-CD2 3.65Å; E21-H55 IonicContact OE2-CE1 3.95Å; E21-H55 IonicContact OE2-NE2 3.16Å; E21-H55 PolarHBondContact OE2-NE2 3.08Å; E21-H55 VanDerWaalsContact OE2-NE2 3.16Å; E21-I68 HydrophobicContact CG-CG2 4.12Å; E21-F69 CarbonylContact C-O 3.58Å; E21-F69 VanDerWaalsContact CA-O 3.27Å; E21-F69 WeakPolarHBondContact CA-O 3.28Å
22	V	97.5	Very high	92.1	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128	173.1	-172	0	0	0	0	108.7	V24 I46 T47 L48 I68 F69 L71	V22-V24 HydrophobicContact CG1-CG2 4.22Å; V22-I46 HydrophobicContact CG1-CG2 3.47Å; V22-I46 VanDerWaalsContact CG1-CG2 3.47Å; V22-T47 CarbonylContact C-O 3.51Å; V22-T47 WeakPolarHBondContact CA-O 3.25Å; V22-L48 HydrophobicContact CB-CB 4.41Å; V22-L48 HydrophobicContact CG1-CB 4.36Å; V22-L48 HydrophobicContact CG2-CB 3.89Å; V22-I68 CarbonylContact O-C 3.47Å; V22-I68 WeakPolarHBondContact O-CA 3.24Å; V22-F69 HydrophobicContact CB-CB 3.96Å; V22-F69 HydrophobicContact CB-CD2 4.07Å; V22-F69 HydrophobicContact CB-CG 4.27Å; V22-F69 HydrophobicContact CG1-CD2 4.38Å; V22-F69 HydrophobicContact CG2-CB 4.39Å; V22-F69 PolarHBondContact N-O 3.44Å; V22-F69 PolarHBondContact O-N 3.24Å; V22-L71 HydrophobicContact CG2-CD1 3.52Å; V22-L71 HydrophobicContact CG2-CG 4.2Å
23	N	97.5	Very high	92.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.8	-175	-76.2	-67.5	0	0	0	109.4	E21 Y32 I41 T47 F49 M66 A67	E21-N23 WeakPolarHBondContact CG-ND2 3.44Å; E21-N23 PolarHBondContact OE1-ND2 3.28Å; E21-N23 PolarHBondContact OE1-OD1 3.41Å; N23-Y32 PolarHBondContact OD1-OH 3.35Å; N23-Y32 VanDerWaalsContact OD1-OH 3.11Å; N23-I41 HydrophobicContact CB-CD1 3.81Å; N23-T47 PolarHBondContact N-O 3.42Å; N23-T47 PolarHBondContact O-N 2.67Å; N23-F49 VanDerWaalsContact ND2-CE1 3.29Å; N23-F49 WeakPolarHBondContact ND2-CE1 3.27Å; N23-M66 HydrophobicContact CB-CE 3.48Å; N23-M66 VanDerWaalsContact CB-CE 3.48Å; N23-M66 WeakPolarHBondContact OD1-CE 3.41Å; N23-A67 WeakPolarHBondContact CA-O 3.37Å
24	V	97.6	Very high	93.4	Very high	3 Å²	3	22 Å²	22	2%	0.018	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	95.7	-179.1	-166.5	0	0	0	0	109.6	V22 F26 I46 M66 A67 L103	V22-V24 HydrophobicContact CG1-CG2 4.22Å; V24-F26 HydrophobicContact CB-CZ 4.49Å; V24-F26 HydrophobicContact CG1-CE1 4.16Å; V24-F26 HydrophobicContact CG1-CZ 4.16Å; V24-F26 WeakPolarHBondContact O-CE2 3.4Å; V24-I46 HydrophobicContact CG2-CB 4.39Å; V24-I46 HydrophobicContact CG2-CG1 4.02Å; V24-I46 HydrophobicContact CG2-CG2 4.38Å; V24-M66 WeakPolarHBondContact O-CA 3.41Å; V24-A67 HydrophobicContact CB-CB 4.3Å; V24-A67 PolarHBondContact N-O 2.89Å; V24-A67 PolarHBondContact O-N 3.46Å; V24-L103 HydrophobicContact CB-CD2 4.26Å; V24-L103 HydrophobicContact CG1-CD2 4.29Å; V24-L103 HydrophobicContact CG2-CD2 3.9Å
25	P	97.5	Very high	93.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	140.7	170.7	32.1	-31.1	0	0	0	110.3	G28 V30 I41 Q43 G44 C63 M66	P25-G28 VanDerWaalsContact CB-O 3.23Å; P25-G28 WeakPolarHBondContact CB-O 3.34Å; P25-V30 HydrophobicContact CB-CG1 4.47Å; P25-V30 HydrophobicContact CG-CG2 4.38Å; P25-I41 HydrophobicContact CG-CG2 3.82Å; P25-Q43 CarbonylContact O-C 3.53Å; P25-Q43 WeakPolarHBondContact O-CA 3.36Å; P25-G44 PolarHBondContact O-N 3.38Å; P25-C63 VanDerWaalsContact CB-SG 3.6Å; P25-M66 HydrophobicContact CB-CG 4.23Å
26	F	97	Very high	93.9	Very high	43 Å²	43	27.4 Å²	27.4	19%	0.189	14%	0.14	C	C	.	.	S	Bend	trans	-103.5	-25.7	-172.4	-68.3	-78.7	0	0	0	114.4	F5 V24 S65 A67 L103 P105 V108	F5-F26 HydrophobicContact CD2-CD2 4.48Å; F5-F26 AromaticContact CD2-CE2 3.99Å; F5-F26 HydrophobicContact CD2-CE2 3.99Å; F5-F26 AromaticContact CE2-CD2 3.69Å; F5-F26 HydrophobicContact CE2-CD2 3.69Å; F5-F26 AromaticContact CE2-CE2 3.55Å; F5-F26 HydrophobicContact CE2-CE2 3.55Å; V24-F26 HydrophobicContact CB-CZ 4.49Å; V24-F26 HydrophobicContact CG1-CE1 4.16Å; V24-F26 HydrophobicContact CG1-CZ 4.16Å; V24-F26 WeakPolarHBondContact O-CE2 3.4Å; F26-S65 WeakPolarHBondContact CD2-O 3.17Å; F26-S65 PolarHBondContact N-O 2.81Å; F26-A67 HydrophobicContact CE2-CB 3.78Å; F26-A67 HydrophobicContact CZ-CB 4.18Å; F26-L103 HydrophobicContact CE1-CG 4.43Å; F26-L103 WeakPolarHBondContact CE1-O 3.15Å; F26-L103 HydrophobicContact CZ-CD2 4.22Å; F26-L103 HydrophobicContact CZ-CG 4.21Å; F26-P105 HydrophobicContact CD1-CG 3.91Å; F26-P105 HydrophobicContact CD2-CG 4.19Å; F26-P105 HydrophobicContact CE1-CG 4.11Å; F26-P105 HydrophobicContact CE2-CG 4.37Å; F26-P105 HydrophobicContact CG-CG 3.96Å; F26-P105 HydrophobicContact CZ-CG 4.33Å; F26-V108 HydrophobicContact CE2-CG2 4.49Å; F26-V108 HydrophobicContact CZ-CG2 3.95Å
27	D	95.3	Very high	94.4	Very high	56 Å²	56	29.6 Å²	29.6	30%	0.299	15%	0.151	S	C	.	.	S	Bend	trans	-136.8	9.3	-166.9	54	10.6	0	0	0	114.1	C63 Q64 S65	D27-C63 WeakPolarHBondContact OD1-CA 3.29Å; D27-C63 PolarHBondContact OD1-SG 2.72Å; D27-Q64 PolarHBondContact OD1-N 2.78Å; D27-Q64 PolarHBondContact OD2-N 3.33Å; D27-S65 PolarHBondContact OD1-N 3.21Å; D27-S65 VanDerWaalsContact OD2-CB 3.22Å; D27-S65 WeakPolarHBondContact OD2-CB 3.45Å; D27-S65 PolarHBondContact OD2-N 3.33Å; D27-S65 PolarHBondContact OD2-OG 3.5Å
28	G	96.3	Very high	94.9	Very high	3 Å²	3	35.7 Å²	35.7	3%	0.031	18%	0.177	C	C	.	.	S	Bend	trans	-175.1	165.3	174.1	0	0	0	0	0	111.8	P25	P25-G28 VanDerWaalsContact CB-O 3.23Å; P25-G28 WeakPolarHBondContact CB-O 3.34Å
29	D	97.4	Very high	95.5	Very high	70 Å²	70	35.8 Å²	35.8	37%	0.374	18%	0.178	S	C	.	.			trans	-85.1	149.4	175.5	-68.5	1.4	0	0	0	110.2	N42 Q43	D29-N42 VanDerWaalsContact OD1-CA 3.27Å; D29-N42 WeakPolarHBondContact OD1-CA 3.38Å; D29-N42 PolarHBondContact OD2-ND2 3.01Å; D29-Q43 PolarHBondContact OD1-N 2.93Å
30	V	97.9	Very high	95.8	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.024	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	148.9	173.7	-58.3	0	0	0	0	110.8	P8 P25 Y32 I41 D59 C63 M66	P8-V30 HydrophobicContact CB-CG1 4.23Å; P8-V30 HydrophobicContact CG-CG1 4.07Å; P25-V30 HydrophobicContact CB-CG1 4.47Å; P25-V30 HydrophobicContact CG-CG2 4.38Å; V30-Y32 HydrophobicContact CG2-CD2 4.15Å; V30-Y32 HydrophobicContact CG2-CE2 3.96Å; V30-I41 HydrophobicContact CG2-CB 3.79Å; V30-I41 HydrophobicContact CG2-CG2 4.31Å; V30-I41 PolarHBondContact N-O 3.19Å; V30-I41 PolarHBondContact O-N 3.14Å; V30-D59 WeakPolarHBondContact CA-O 3.25Å; V30-C63 HydrophobicContact CG1-CB 3.71Å; V30-M66 HydrophobicContact CG1-SD 4.37Å; V30-M66 HydrophobicContact CG2-CE 4Å; V30-M66 HydrophobicContact CG2-SD 4.2Å
31	E	97.9	Very high	95.8	Very high	35 Å²	35	37.8 Å²	37.8	16%	0.164	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	131.2	174.8	-168.9	-173.1	77.8	0	0	110	K38 T58 D59	E31-K38 IonicContact OE1-NZ 2.9Å; E31-K38 PolarHBondContact OE1-NZ 3.07Å; E31-K38 WeakPolarHBondContact OE2-CD 3.47Å; E31-K38 IonicContact OE2-NZ 2.76Å; E31-K38 PolarHBondContact OE2-NZ 3.36Å; E31-T58 WeakPolarHBondContact CG-OG1 3.48Å; E31-T58 PolarHBondContact O-N 3.12Å; E31-T58 PolarHBondContact O-OG1 3.19Å; E31-T58 PolarHBondContact OE1-OG1 3.2Å; E31-D59 HydrophobicContact CB-CB 3.75Å; E31-D59 PolarHBondContact N-O 2.66Å; E31-D59 PolarHBondContact O-N 3.11Å
32	Y	97.3	Very high	95.8	Very high	3 Å²	3	39.6 Å²	39.6	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	145.4	167.3	-86.6	-118	0	0	0	110.6	N23 V30 I34 K38 V39 I41 F49 H55 Q56 L57 M66	N23-Y32 PolarHBondContact OD1-OH 3.35Å; N23-Y32 VanDerWaalsContact OD1-OH 3.11Å; V30-Y32 HydrophobicContact CG2-CD2 4.15Å; V30-Y32 HydrophobicContact CG2-CE2 3.96Å; Y32-I34 HydrophobicContact CD1-CG1 4.45Å; Y32-K38 CarbonylContact O-C 3.59Å; Y32-K38 WeakPolarHBondContact O-CA 3.27Å; Y32-V39 PolarHBondContact N-O 2.93Å; Y32-V39 PolarHBondContact O-N 3.23Å; Y32-I41 HydrophobicContact CD2-CD1 3.63Å; Y32-I41 HydrophobicContact CD2-CG1 4.31Å; Y32-I41 HydrophobicContact CE2-CD1 3.93Å; Y32-I41 HydrophobicContact CG-CD1 4.09Å; Y32-F49 HydrophobicContact CE1-CZ 4.47Å; Y32-H55 HydrophobicContact CD1-CB 4.49Å; Y32-Q56 CarbonylContact C-O 3.58Å; Y32-Q56 VanDerWaalsContact CA-O 3.24Å; Y32-Q56 WeakPolarHBondContact CA-O 3.43Å; Y32-L57 HydrophobicContact CD2-CB 4.21Å; Y32-L57 HydrophobicContact CD2-CG 4.08Å; Y32-L57 HydrophobicContact CE1-CB 4.27Å; Y32-L57 HydrophobicContact CE2-CB 3.79Å; Y32-L57 HydrophobicContact CE2-CD1 3.64Å; Y32-L57 HydrophobicContact CE2-CG 3.61Å; Y32-M66 HydrophobicContact CE2-CE 4.09Å
33	L	94.8	Very high	95.7	Very high	37 Å²	37	44.6 Å²	44.6	19%	0.194	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	110.8	159.8	-172.3	73.4	0	0	0	107.9	N36 E37 K38 H55 Q56 T58	L33-N36 VanDerWaalsContact CD1-C 3.47Å; L33-E37 CarbonylContact C-O 3.52Å; L33-E37 WeakPolarHBondContact CA-O 3.24Å; L33-K38 HydrophobicContact CD1-CG 4.26Å; L33-H55 CarbonylContact O-C 3.54Å; L33-H55 WeakPolarHBondContact O-CA 3.15Å; L33-Q56 HydrophobicContact CB-CB 4.34Å; L33-Q56 PolarHBondContact N-O 2.69Å; L33-Q56 PolarHBondContact O-N 3.41Å; L33-T58 HydrophobicContact CB-CG2 3.8Å
34	I	93.6	Very high	95.6	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	119.7	179	-56.4	179.2	0	0	0	108.1	Y32 N36 E37 V39 F49 T53 P54 H55 V94 L146	Y32-I34 HydrophobicContact CD1-CG1 4.45Å; I34-N36 PolarHBondContact O-N 2.9Å; I34-E37 PolarHBondContact N-O 3.42Å; I34-E37 WeakPolarHBondContact O-CB 3.3Å; I34-E37 PolarHBondContact O-N 2.99Å; I34-V39 HydrophobicContact CB-CG2 4.19Å; I34-V39 HydrophobicContact CD1-CB 4.3Å; I34-V39 HydrophobicContact CD1-CG1 4.5Å; I34-V39 HydrophobicContact CD1-CG2 4.23Å; I34-V39 HydrophobicContact CG1-CG2 4.3Å; I34-F49 HydrophobicContact CD1-CD1 3.78Å; I34-F49 HydrophobicContact CD1-CE1 3.78Å; I34-F49 HydrophobicContact CD1-CG 4.17Å; I34-F49 HydrophobicContact CD1-CZ 4.2Å; I34-T53 HydrophobicContact CG2-CG2 3.65Å; I34-P54 WeakPolarHBondContact CA-O 3.38Å; I34-H55 HydrophobicContact CG1-CB 4.03Å; I34-V94 HydrophobicContact CB-CG2 4.34Å; I34-V94 HydrophobicContact CD1-CG1 4.25Å; I34-V94 HydrophobicContact CD1-CG2 3.64Å; I34-V94 HydrophobicContact CG2-CG2 3.9Å; I34-L146 HydrophobicContact CB-CD2 4.04Å; I34-L146 HydrophobicContact CG2-CD2 4.03Å
35	N	89.4	Confident	95.6	Very high	84 Å²	84	46.5 Å²	46.5	45%	0.449	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	40.1	-174	-158.6	30.2	0	0	0	113.6	E37 T53 P54	N35-E37 PolarHBondContact O-N 3.38Å; N35-T53 HydrophobicContact CB-CG2 3.54Å; N35-P54 PolarHBondContact N-O 3.06Å
36	N	89.6	Confident	95.6	Very high	126 Å²	126	46.6 Å²	46.6	67%	0.674	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.8	13	-174.6	-54.7	-28.5	0	0	0	115.4	L33 I34	L33-N36 VanDerWaalsContact CD1-C 3.47Å; I34-N36 PolarHBondContact O-N 2.9Å
37	E	93.7	Very high	95.6	Very high	76 Å²	76	44.5 Å²	44.5	36%	0.355	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	136.5	173.6	-62.8	-78	173.2	0	0	108.9	L33 I34 N35 L146 K149	L33-E37 CarbonylContact C-O 3.52Å; L33-E37 WeakPolarHBondContact CA-O 3.24Å; I34-E37 PolarHBondContact N-O 3.42Å; I34-E37 WeakPolarHBondContact O-CB 3.3Å; I34-E37 PolarHBondContact O-N 2.99Å; N35-E37 PolarHBondContact O-N 3.38Å; E37-L146 HydrophobicContact CB-CD1 3.61Å; E37-L146 HydrophobicContact CB-CD2 4.14Å; E37-L146 HydrophobicContact CG-CD1 3.9Å; E37-K149 IonicContact OE1-NZ 2.66Å; E37-K149 PolarHBondContact OE1-NZ 3.48Å
38	K	95	Very high	95.6	Very high	142 Å²	142	41.9 Å²	41.9	62%	0.617	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	131.3	177.7	-75.4	175.7	161.4	-115.2	0	110	E31 Y32 L33	E31-K38 IonicContact OE1-NZ 2.9Å; E31-K38 PolarHBondContact OE1-NZ 3.07Å; E31-K38 WeakPolarHBondContact OE2-CD 3.47Å; E31-K38 IonicContact OE2-NZ 2.76Å; E31-K38 PolarHBondContact OE2-NZ 3.36Å; Y32-K38 CarbonylContact O-C 3.59Å; Y32-K38 WeakPolarHBondContact O-CA 3.27Å; L33-K38 HydrophobicContact CD1-CG 4.26Å
39	V	96.6	Very high	95.6	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.03	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	117.9	-177.7	-177.6	0	0	0	0	108.5	Y32 I34 V94 I145 L146	Y32-V39 PolarHBondContact N-O 2.93Å; Y32-V39 PolarHBondContact O-N 3.23Å; I34-V39 HydrophobicContact CB-CG2 4.19Å; I34-V39 HydrophobicContact CD1-CB 4.3Å; I34-V39 HydrophobicContact CD1-CG1 4.5Å; I34-V39 HydrophobicContact CD1-CG2 4.23Å; I34-V39 HydrophobicContact CG1-CG2 4.3Å; V39-V94 HydrophobicContact CG1-CG1 4.2Å; V39-I145 HydrophobicContact CG1-CD1 3.34Å; V39-I145 HydrophobicContact CG1-CG1 3.95Å; V39-L146 HydrophobicContact CG2-CB 4.14Å; V39-L146 HydrophobicContact CG2-CD2 3.97Å; V39-L146 HydrophobicContact CG2-CG 4.5Å
40	N	97.1	Very high	95.3	Very high	95 Å²	95	39 Å²	39	51%	0.508	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	122.4	174.5	-67.9	-26.9	0	0	0	109.7
41	I	96.5	Very high	94.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	105.6	174.6	-57.1	-173.3	0	0	0	107.2	N23 P25 V30 Y32 T47	N23-I41 HydrophobicContact CB-CD1 3.81Å; P25-I41 HydrophobicContact CG-CG2 3.82Å; V30-I41 HydrophobicContact CG2-CB 3.79Å; V30-I41 HydrophobicContact CG2-CG2 4.31Å; V30-I41 PolarHBondContact N-O 3.19Å; V30-I41 PolarHBondContact O-N 3.14Å; Y32-I41 HydrophobicContact CD2-CD1 3.63Å; Y32-I41 HydrophobicContact CD2-CG1 4.31Å; Y32-I41 HydrophobicContact CE2-CD1 3.93Å; Y32-I41 HydrophobicContact CG-CD1 4.09Å; I41-T47 HydrophobicContact CD1-CG2 3.98Å; I41-T47 HydrophobicContact CG1-CG2 4.05Å
42	N	96.2	Very high	94.1	Very high	48 Å²	48	38.7 Å²	38.7	26%	0.257	20%	0.198	S	C	.	.			trans	-81.4	148.2	-175.6	-52.9	108.2	0	0	0	112.5	D29 H45 K96	D29-N42 VanDerWaalsContact OD1-CA 3.27Å; D29-N42 WeakPolarHBondContact OD1-CA 3.38Å; D29-N42 PolarHBondContact OD2-ND2 3.01Å; N42-H45 PolarHBondContact O-N 2.79Å; N42-K96 PolarHBondContact OD1-NZ 3.43Å
43	Q	96.1	Very high	93.6	Very high	105 Å²	105	39.5 Å²	39.5	49%	0.491	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	139.6	177.3	64.4	174.2	-7.3	0	0	113	P25 D29 H45	P25-Q43 CarbonylContact O-C 3.53Å; P25-Q43 WeakPolarHBondContact O-CA 3.36Å; D29-Q43 PolarHBondContact OD1-N 2.93Å; Q43-H45 PolarHBondContact O-CD2 3.29Å; Q43-H45 PolarHBondContact O-N 3.5Å; Q43-H45 VanDerWaalsContact O-N 3.12Å
44	G	95.2	Very high	93.2	Very high	14 Å²	14	40.2 Å²	40.2	14%	0.144	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	-6.6	176.6	0	0	0	0	0	115.2	P25 T100 Q101	P25-G44 PolarHBondContact O-N 3.38Å; G44-T100 CarbonylContact O-C 3.56Å; G44-T100 VanDerWaalsContact O-CA 3.27Å; G44-T100 WeakPolarHBondContact O-CA 3.43Å; G44-Q101 PolarHBondContact O-N 3.03Å
45	H	96.9	Very high	93.2	Very high	30 Å²	30	40.2 Å²	40.2	14%	0.139	21%	0.21	C	C	.	.			trans	-92.7	144.8	174	-69.5	-90.2	0	0	0	111.6	N42 Q43 K96 S97 L98 T100	N42-H45 PolarHBondContact O-N 2.79Å; Q43-H45 PolarHBondContact O-CD2 3.29Å; Q43-H45 PolarHBondContact O-N 3.5Å; Q43-H45 VanDerWaalsContact O-N 3.12Å; H45-K96 HydrophobicContact CB-CD 4.26Å; H45-K96 HydrophobicContact CB-CG 3.86Å; H45-K96 WeakPolarHBondContact CD2-CE 3.48Å; H45-K96 PolarHBondContact CD2-NZ 3.26Å; H45-K96 VanDerWaalsContact ND1-CE 3.25Å; H45-K96 WeakPolarHBondContact ND1-CE 3.27Å; H45-K96 WeakPolarHBondContact NE2-CE 3.11Å; H45-K96 PolarHBondContact NE2-NZ 3.08Å; H45-S97 WeakPolarHBondContact CA-OG 3.33Å; H45-S97 PolarHBondContact CE1-O 3.32Å; H45-S97 PolarHBondContact ND1-O 3.19Å; H45-L98 PolarHBondContact CE1-O 3.45Å; H45-T100 WeakPolarHBondContact CE1-CG2 3.21Å; H45-T100 VanDerWaalsContact NE2-CG2 3.29Å; H45-T100 WeakPolarHBondContact NE2-CG2 3.35Å
46	I	97.7	Very high	93.4	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.195	C	C	.	.			trans	-86.4	117.7	170.8	-60.3	173.6	0	0	0	107.3	V22 V24 K96 S97 Q102 M133 F137	V22-I46 HydrophobicContact CG1-CG2 3.47Å; V22-I46 VanDerWaalsContact CG1-CG2 3.47Å; V24-I46 HydrophobicContact CG2-CB 4.39Å; V24-I46 HydrophobicContact CG2-CG1 4.02Å; V24-I46 HydrophobicContact CG2-CG2 4.38Å; I46-K96 CarbonylContact O-C 3.59Å; I46-K96 WeakPolarHBondContact O-CA 3.39Å; I46-S97 PolarHBondContact N-OG 2.93Å; I46-S97 PolarHBondContact O-N 3.04Å; I46-Q102 HydrophobicContact CD1-CB 3.9Å; I46-M133 HydrophobicContact CD1-SD 3.76Å; I46-F137 HydrophobicContact CB-CD2 3.84Å; I46-F137 HydrophobicContact CB-CE2 4.04Å; I46-F137 HydrophobicContact CD1-CD2 4.25Å; I46-F137 HydrophobicContact CG2-CD2 3.88Å; I46-F137 HydrophobicContact CG2-CE2 4.04Å
47	T	97.3	Very high	93.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.4	172.6	-61.3	0	0	0	0	109.4	V22 N23 I41 V94 I95 I145	V22-T47 CarbonylContact C-O 3.51Å; V22-T47 WeakPolarHBondContact CA-O 3.25Å; N23-T47 PolarHBondContact N-O 3.42Å; N23-T47 PolarHBondContact O-N 2.67Å; I41-T47 HydrophobicContact CD1-CG2 3.98Å; I41-T47 HydrophobicContact CG1-CG2 4.05Å; T47-V94 HydrophobicContact CG2-CG1 3.54Å; T47-I95 WeakPolarHBondContact CA-O 3.37Å; T47-I145 HydrophobicContact CG2-CD1 4.01Å
48	L	96.2	Very high	93.8	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	145.4	-179.9	66.9	93.2	0	0	0	111.9	V20 E21 V22 L85 V89 I95 L134 F137	V20-L48 HydrophobicContact CG1-CD1 4.44Å; E21-L48 VanDerWaalsContact O-CA 3.24Å; E21-L48 WeakPolarHBondContact O-CA 3.4Å; V22-L48 HydrophobicContact CB-CB 4.41Å; V22-L48 HydrophobicContact CG1-CB 4.36Å; V22-L48 HydrophobicContact CG2-CB 3.89Å; L48-L85 HydrophobicContact CD1-CD1 4.42Å; L48-V89 HydrophobicContact CD1-CB 4.29Å; L48-V89 HydrophobicContact CD1-CG1 4.1Å; L48-V89 HydrophobicContact CD1-CG2 3.16Å; L48-I95 HydrophobicContact CD1-CD1 3.5Å; L48-I95 HydrophobicContact CD1-CG1 3.52Å; L48-I95 HydrophobicContact CD2-CD1 4.05Å; L48-I95 HydrophobicContact CD2-CG1 4.19Å; L48-I95 HydrophobicContact CG-CD1 3.76Å; L48-I95 HydrophobicContact CG-CG1 3.48Å; L48-I95 VanDerWaalsContact CG-CG1 3.48Å; L48-I95 PolarHBondContact N-O 3.48Å; L48-I95 PolarHBondContact O-N 3.44Å; L48-L134 HydrophobicContact CD2-CD2 4.13Å; L48-F137 HydrophobicContact CD2-CD1 4.08Å; L48-F137 HydrophobicContact CD2-CE1 3.56Å; L48-F137 HydrophobicContact CD2-CE2 4.07Å; L48-F137 HydrophobicContact CD2-CZ 3.56Å; L48-F137 HydrophobicContact CG-CZ 4.35Å
49	F	95.1	Very high	93.8	Very high	1 Å²	1	27.3 Å²	27.3	0%	0.004	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	160	178.5	60.7	-91.3	0	0	0	110.7	E21 N23 Y32 I34 A51 H55 V94	E21-F49 HydrophobicContact CB-CD2 4.49Å; E21-F49 HydrophobicContact CB-CE1 4.24Å; E21-F49 HydrophobicContact CB-CE2 3.97Å; E21-F49 HydrophobicContact CB-CZ 3.82Å; E21-F49 HydrophobicContact CG-CZ 4.14Å; E21-F49 PolarHBondContact N-O 2.92Å; E21-F49 PolarHBondContact O-N 2.92Å; E21-F49 WeakPolarHBondContact OE1-CZ 3.46Å; N23-F49 VanDerWaalsContact ND2-CE1 3.29Å; N23-F49 WeakPolarHBondContact ND2-CE1 3.27Å; Y32-F49 HydrophobicContact CE1-CZ 4.47Å; I34-F49 HydrophobicContact CD1-CD1 3.78Å; I34-F49 HydrophobicContact CD1-CE1 3.78Å; I34-F49 HydrophobicContact CD1-CG 4.17Å; I34-F49 HydrophobicContact CD1-CZ 4.2Å; F49-A51 HydrophobicContact CD2-CB 4.36Å; F49-A51 HydrophobicContact CE2-CB 3.93Å; F49-A51 PolarHBondContact O-N 3.03Å; F49-H55 HydrophobicContact CE2-CB 3.89Å; F49-H55 AromaticContact CE2-CG 3.57Å; F49-H55 AromaticContact CE2-ND1 3.69Å; F49-H55 HydrophobicContact CZ-CB 4.02Å; F49-H55 AromaticContact CZ-CD2 3.92Å; F49-H55 AromaticContact CZ-CG 3.82Å; F49-V94 HydrophobicContact CB-CB 4.26Å; F49-V94 HydrophobicContact CB-CG1 4.19Å; F49-V94 HydrophobicContact CB-CG2 3.85Å; F49-V94 HydrophobicContact CD1-CG1 4.32Å; F49-V94 HydrophobicContact CG-CG2 4.41Å
50	W	92.2	Very high	93.8	Very high	11 Å²	11	28.8 Å²	28.8	4%	0.042	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	112.4	170.7	-174.6	30	0	0	0	110.6	G18 Q19 C52 T53 M73 V89 M205 L207	G18-W50 PolarHBondContact O-NE1 2.84Å; G18-W50 VanDerWaalsContact O-NE1 3.16Å; Q19-W50 VanDerWaalsContact O-CD1 3.31Å; W50-C52 HydrophobicContact CD2-CB 3.65Å; W50-C52 HydrophobicContact CE3-CB 4.1Å; W50-C52 HydrophobicContact CG-CB 4.18Å; W50-C52 HydrophobicContact CH2-CB 3.97Å; W50-C52 HydrophobicContact CZ2-CB 3.5Å; W50-C52 VanDerWaalsContact CZ2-CB 3.5Å; W50-C52 HydrophobicContact CZ3-CB 4.24Å; W50-C52 PolarHBondContact O-N 2.9Å; W50-T53 WeakPolarHBondContact O-CB 3.37Å; W50-T53 PolarHBondContact O-N 2.81Å; W50-T53 VanDerWaalsContact O-N 3.14Å; W50-T53 PolarHBondContact O-OG1 3.07Å; W50-M73 HydrophobicContact CB-CE 4.45Å; W50-M73 HydrophobicContact CD2-CE 3.99Å; W50-M73 HydrophobicContact CG-CE 3.65Å; W50-V89 HydrophobicContact CB-CG1 4.23Å; W50-V89 WeakPolarHBondContact CB-O 3.43Å; W50-M205 HydrophobicContact CH2-CB 4.35Å; W50-M205 HydrophobicContact CH2-CE 3.7Å; W50-M205 WeakPolarHBondContact CH2-O 3.41Å; W50-M205 HydrophobicContact CZ2-CE 3.36Å; W50-M205 WeakPolarHBondContact CZ3-O 3.35Å; W50-L207 HydrophobicContact CH2-CD2 3.27Å; W50-L207 HydrophobicContact CH2-CG 3.84Å; W50-L207 HydrophobicContact CZ2-CD2 3.8Å; W50-L207 HydrophobicContact CZ3-CD2 4.2Å
51	A	85.7	Confident	93.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	5.5	-174.3	0	0	0	0	0	114.5	W16 H17 Q19 E21 F49 T53 H55	W16-A51 CarbonylContact C-O 3.56Å; W16-A51 WeakPolarHBondContact CA-O 3.35Å; W16-A51 VanDerWaalsContact CB-O 3.32Å; W16-A51 WeakPolarHBondContact CB-O 3.39Å; H17-A51 WeakPolarHBondContact CE1-CB 3.46Å; H17-A51 PolarHBondContact N-O 3.3Å; H17-A51 WeakPolarHBondContact ND1-CB 3.25Å; H17-A51 WeakPolarHBondContact NE2-CB 3.26Å; H17-A51 CarbonylContact O-C 3.46Å; Q19-A51 WeakPolarHBondContact O-CB 3.04Å; Q19-A51 PolarHBondContact O-N 3.02Å; E21-A51 HydrophobicContact CB-CB 4.01Å; F49-A51 HydrophobicContact CD2-CB 4.36Å; F49-A51 HydrophobicContact CE2-CB 3.93Å; F49-A51 PolarHBondContact O-N 3.03Å; A51-T53 CarbonylContact C-O 3.54Å; A51-T53 PolarHBondContact O-N 3.12Å; A51-H55 WeakPolarHBondContact CB-CE1 2.95Å; A51-H55 PolarHBondContact O-CE1 3.13Å
52	C	83.9	Confident	93.6	Very high	32 Å²	32	31.7 Å²	31.7	22%	0.216	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-14.8	165.5	-166.7	0	0	0	0	111.3	H17 W50 L207	H17-C52 WeakPolarHBondContact O-CA 3.47Å; H17-C52 PolarHBondContact O-N 2.9Å; W50-C52 HydrophobicContact CD2-CB 3.65Å; W50-C52 HydrophobicContact CE3-CB 4.1Å; W50-C52 HydrophobicContact CG-CB 4.18Å; W50-C52 HydrophobicContact CH2-CB 3.97Å; W50-C52 HydrophobicContact CZ2-CB 3.5Å; W50-C52 VanDerWaalsContact CZ2-CB 3.5Å; W50-C52 HydrophobicContact CZ3-CB 4.24Å; W50-C52 PolarHBondContact O-N 2.9Å; C52-L207 WeakPolarHBondContact SG-CD2 3.46Å
53	T	86.1	Confident	93.6	Very high	21 Å²	21	29.9 Å²	29.9	13%	0.129	18%	0.18	C	C	.	.	S	Bend	trans	-77.7	131.9	166	-54.8	0	0	0	0	110.2	I34 N35 W50 A51 H55	I34-T53 HydrophobicContact CG2-CG2 3.65Å; N35-T53 HydrophobicContact CB-CG2 3.54Å; W50-T53 WeakPolarHBondContact O-CB 3.37Å; W50-T53 PolarHBondContact O-N 2.81Å; W50-T53 VanDerWaalsContact O-N 3.14Å; W50-T53 PolarHBondContact O-OG1 3.07Å; A51-T53 CarbonylContact C-O 3.54Å; A51-T53 PolarHBondContact O-N 3.12Å; T53-H55 PolarHBondContact O-N 3.37Å; T53-H55 PolarHBondContact O-ND1 3.25Å
54	P	87.7	Confident	93.6	Very high	52 Å²	52	31.8 Å²	31.8	34%	0.338	19%	0.19	S	C	.	.			trans	-55	127	172.8	-25.9	35.2	0	0	0	111.8	H15 I34 N35	H15-P54 CarbonylContact O-C 3.46Å; H15-P54 VanDerWaalsContact O-CA 3.27Å; H15-P54 WeakPolarHBondContact O-CA 3.31Å; I34-P54 WeakPolarHBondContact CA-O 3.38Å; N35-P54 PolarHBondContact N-O 3.06Å
55	H	93.3	Very high	93.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	151	-177.8	55.1	-80.4	0	0	0	111.9	M11 S14 H15 H17 E21 Y32 L33 I34 F49 A51 T53	M11-H55 WeakPolarHBondContact CE-O 3.25Å; S14-H55 VanDerWaalsContact CA-O 3.27Å; S14-H55 WeakPolarHBondContact CA-O 3.43Å; H15-H55 AromaticContact CD2-CE1 3.69Å; H15-H55 AromaticContact CD2-NE2 3.37Å; H15-H55 PolarHBondContact CD2-NE2 3.46Å; H15-H55 PolarHBondContact N-O 3.39Å; H15-H55 AromaticContact NE2-CE1 3.92Å; H15-H55 AromaticContact NE2-NE2 3.17Å; H15-H55 PolarHBondContact NE2-NE2 2.89Å; H15-H55 VanDerWaalsContact NE2-NE2 3.17Å; H15-H55 PolarHBondContact O-CE1 3.36Å; H15-H55 PolarHBondContact O-N 2.99Å; H15-H55 PolarHBondContact O-ND1 2.89Å; H17-H55 AromaticContact CD2-CE1 3.71Å; H17-H55 AromaticContact CD2-NE2 3.71Å; H17-H55 AromaticContact NE2-CE1 3.71Å; H17-H55 AromaticContact NE2-NE2 3.5Å; H17-H55 PolarHBondContact NE2-NE2 2.63Å; E21-H55 IonicContact OE2-CD2 3.65Å; E21-H55 IonicContact OE2-CE1 3.95Å; E21-H55 IonicContact OE2-NE2 3.16Å; E21-H55 PolarHBondContact OE2-NE2 3.08Å; E21-H55 VanDerWaalsContact OE2-NE2 3.16Å; Y32-H55 HydrophobicContact CD1-CB 4.49Å; L33-H55 CarbonylContact O-C 3.54Å; L33-H55 WeakPolarHBondContact O-CA 3.15Å; I34-H55 HydrophobicContact CG1-CB 4.03Å; F49-H55 HydrophobicContact CE2-CB 3.89Å; F49-H55 AromaticContact CE2-CG 3.57Å; F49-H55 AromaticContact CE2-ND1 3.69Å; F49-H55 HydrophobicContact CZ-CB 4.02Å; F49-H55 AromaticContact CZ-CD2 3.92Å; F49-H55 AromaticContact CZ-CG 3.82Å; A51-H55 WeakPolarHBondContact CB-CE1 2.95Å; A51-H55 PolarHBondContact O-CE1 3.13Å; T53-H55 PolarHBondContact O-N 3.37Å; T53-H55 PolarHBondContact O-ND1 3.25Å
56	Q	93.6	Very high	93.6	Very high	32 Å²	32	31.3 Å²	31.3	15%	0.15	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	126.2	-178.6	-170.8	-179.4	-15	0	0	111.2	M11 S14 Y32 L33 T58	M11-Q56 HydrophobicContact CB-CG 3.62Å; M11-Q56 WeakPolarHBondContact O-CG 3.4Å; M11-Q56 PolarHBondContact O-NE2 3.09Å; S14-Q56 PolarHBondContact OG-OE1 3.48Å; Y32-Q56 CarbonylContact C-O 3.58Å; Y32-Q56 VanDerWaalsContact CA-O 3.24Å; Y32-Q56 WeakPolarHBondContact CA-O 3.43Å; L33-Q56 HydrophobicContact CB-CB 4.34Å; L33-Q56 PolarHBondContact N-O 2.69Å; L33-Q56 PolarHBondContact O-N 3.41Å; Q56-T58 HydrophobicContact CB-CG2 4.47Å; Q56-T58 HydrophobicContact CG-CG2 4.21Å; Q56-T58 PolarHBondContact O-N 2.93Å
57	L	95.6	Very high	93.6	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	115.3	165.1	-164.4	162.2	0	0	0	108.8	P8 M11 Y32 D59 T60 M66	P8-L57 HydrophobicContact CB-CD1 3.62Å; M11-L57 HydrophobicContact CG-CB 4.02Å; M11-L57 PolarHBondContact N-O 2.95Å; M11-L57 HydrophobicContact SD-CB 3.97Å; M11-L57 PolarHBondContact SD-N 3.27Å; Y32-L57 HydrophobicContact CD2-CB 4.21Å; Y32-L57 HydrophobicContact CD2-CG 4.08Å; Y32-L57 HydrophobicContact CE1-CB 4.27Å; Y32-L57 HydrophobicContact CE2-CB 3.79Å; Y32-L57 HydrophobicContact CE2-CD1 3.64Å; Y32-L57 HydrophobicContact CE2-CG 3.61Å; L57-D59 WeakPolarHBondContact CD2-O 3.49Å; L57-T60 HydrophobicContact CD2-CG2 3.69Å; L57-M66 HydrophobicContact CD1-SD 4.39Å
58	T	95.4	Very high	93.6	Very high	40 Å²	40	32 Å²	32	25%	0.245	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-29.1	-174.9	46.6	0	0	0	0	113.4	E31 L33 Q56	E31-T58 WeakPolarHBondContact CG-OG1 3.48Å; E31-T58 PolarHBondContact O-N 3.12Å; E31-T58 PolarHBondContact O-OG1 3.19Å; E31-T58 PolarHBondContact OE1-OG1 3.2Å; L33-T58 HydrophobicContact CB-CG2 3.8Å; Q56-T58 HydrophobicContact CB-CG2 4.47Å; Q56-T58 HydrophobicContact CG-CG2 4.21Å; Q56-T58 PolarHBondContact O-N 2.93Å
59	D	95.9	Very high	93.6	Very high	82 Å²	82	31.9 Å²	31.9	44%	0.439	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	129.3	177.7	-167.4	-8.4	0	0	0	110.3	V30 E31 L57 G61	V30-D59 WeakPolarHBondContact CA-O 3.25Å; E31-D59 HydrophobicContact CB-CB 3.75Å; E31-D59 PolarHBondContact N-O 2.66Å; E31-D59 PolarHBondContact O-N 3.11Å; L57-D59 WeakPolarHBondContact CD2-O 3.49Å; D59-G61 PolarHBondContact OD1-N 3.36Å
60	T	95.9	Very high	93.6	Very high	36 Å²	36	32.8 Å²	32.8	22%	0.221	20%	0.195	C	C	.	.			trans	-87.2	-13.1	177.6	56.4	0	0	0	0	112.7	P8 I10 L57 T62 C63	P8-T60 HydrophobicContact CB-CG2 4.05Å; P8-T60 HydrophobicContact CG-CG2 4.18Å; P8-T60 WeakPolarHBondContact O-CG2 3.23Å; I10-T60 HydrophobicContact CG1-CG2 4.04Å; L57-T60 HydrophobicContact CD2-CG2 3.69Å; T60-T62 PolarHBondContact O-N 3.32Å; T60-C63 WeakPolarHBondContact O-CB 3.46Å; T60-C63 PolarHBondContact O-N 3.48Å
61	G	93.8	Very high	93.8	Very high	44 Å²	44	32.2 Å²	32.2	45%	0.454	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	-130.1	-173.4	0	0	0	0	0	111.4	D59	D59-G61 PolarHBondContact OD1-N 3.36Å
62	T	95	Very high	94.2	Very high	112 Å²	112	33.4 Å²	33.4	69%	0.687	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.3	5	174.4	61	0	0	0	0	113.5	T60 Q64	T60-T62 PolarHBondContact O-N 3.32Å; T62-Q64 PolarHBondContact O-N 2.98Å
63	C	96.7	Very high	94.6	Very high	9 Å²	9	31.9 Å²	31.9	6%	0.061	19%	0.19	C	C	.	.			trans	-69.7	130.6	-174.7	-177.4	0	0	0	0	111.1	P8 P25 D27 V30 T60 S65	P8-C63 WeakPolarHBondContact CD-O 3.47Å; P8-C63 HydrophobicContact CG-CB 3.83Å; P8-C63 WeakPolarHBondContact CG-O 3.31Å; P25-C63 VanDerWaalsContact CB-SG 3.6Å; D27-C63 WeakPolarHBondContact OD1-CA 3.29Å; D27-C63 PolarHBondContact OD1-SG 2.72Å; V30-C63 HydrophobicContact CG1-CB 3.71Å; T60-C63 WeakPolarHBondContact O-CB 3.46Å; T60-C63 PolarHBondContact O-N 3.48Å; C63-S65 PolarHBondContact SG-O 3.42Å
64	Q	96.1	Very high	94.9	Very high	146 Å²	146	33.1 Å²	33.1	68%	0.682	19%	0.194	S	C	*	.			trans	-118.2	-15.4	177.9	-59.7	-174	-13.9	0	0	112.3	A7 D27 T62	A7-Q64 WeakPolarHBondContact CA-O 3.48Å; A7-Q64 VanDerWaalsContact CB-O 3.32Å; A7-Q64 WeakPolarHBondContact CB-O 3.5Å; A7-Q64 PolarHBondContact N-O 3.38Å; D27-Q64 PolarHBondContact OD1-N 2.78Å; D27-Q64 PolarHBondContact OD2-N 3.33Å; T62-Q64 PolarHBondContact O-N 2.98Å
65	S	96	Very high	95.2	Very high	33 Å²	33	32.2 Å²	32.2	23%	0.231	19%	0.186	C	C	.	.			trans	-133.6	112.6	-176.6	-52.8	0	0	0	0	109.9	F26 D27 C63	F26-S65 WeakPolarHBondContact CD2-O 3.17Å; F26-S65 PolarHBondContact N-O 2.81Å; D27-S65 PolarHBondContact OD1-N 3.21Å; D27-S65 VanDerWaalsContact OD2-CB 3.22Å; D27-S65 WeakPolarHBondContact OD2-CB 3.45Å; D27-S65 PolarHBondContact OD2-N 3.33Å; D27-S65 PolarHBondContact OD2-OG 3.5Å; C63-S65 PolarHBondContact SG-O 3.42Å
66	M	96.9	Very high	95.3	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	137.6	-179.4	-172.2	176.1	-179.9	0	0	110.7	F5 R6 P8 N23 V24 P25 V30 Y32 L57 I68	F5-M66 WeakPolarHBondContact CA-O 3.46Å; R6-M66 PolarHBondContact N-O 3.12Å; R6-M66 PolarHBondContact O-N 2.85Å; R6-M66 VanDerWaalsContact O-O 3.12Å; P8-M66 HydrophobicContact CB-SD 3.92Å; N23-M66 HydrophobicContact CB-CE 3.48Å; N23-M66 VanDerWaalsContact CB-CE 3.48Å; N23-M66 WeakPolarHBondContact OD1-CE 3.41Å; V24-M66 WeakPolarHBondContact O-CA 3.41Å; P25-M66 HydrophobicContact CB-CG 4.23Å; V30-M66 HydrophobicContact CG1-SD 4.37Å; V30-M66 HydrophobicContact CG2-CE 4Å; V30-M66 HydrophobicContact CG2-SD 4.2Å; Y32-M66 HydrophobicContact CE2-CE 4.09Å; L57-M66 HydrophobicContact CD1-SD 4.39Å; M66-I68 HydrophobicContact CE-CG1 4.34Å; M66-I68 HydrophobicContact CG-CG1 4.3Å; M66-I68 HydrophobicContact SD-CG1 4.45Å
67	A	97.7	Very high	95.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	133	167.5	0	0	0	0	0	110.6	E4 F5 N23 V24 F26 F69 V108	E4-A67 CarbonylContact O-C 3.57Å; E4-A67 VanDerWaalsContact O-CA 3.32Å; E4-A67 WeakPolarHBondContact O-CA 3.42Å; F5-A67 HydrophobicContact CD2-CB 4.5Å; N23-A67 WeakPolarHBondContact CA-O 3.37Å; V24-A67 HydrophobicContact CB-CB 4.3Å; V24-A67 PolarHBondContact N-O 2.89Å; V24-A67 PolarHBondContact O-N 3.46Å; F26-A67 HydrophobicContact CE2-CB 3.78Å; F26-A67 HydrophobicContact CZ-CB 4.18Å; A67-F69 HydrophobicContact CB-CD2 4.32Å; A67-F69 HydrophobicContact CB-CE2 3.61Å; A67-F69 HydrophobicContact CB-CZ 4.4Å; A67-V108 HydrophobicContact CB-CB 4.39Å; A67-V108 HydrophobicContact CB-CG1 3.68Å; A67-V108 HydrophobicContact CB-CG2 3.83Å
68	I	96.8	Very high	95.1	Very high	14 Å²	14	34 Å²	34	7%	0.072	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	122.3	175.3	-52.6	173.9	0	0	0	107.4	I3 E4 E21 V22 M66	I3-I68 WeakPolarHBondContact CA-O 3.42Å; E4-I68 HydrophobicContact CB-CB 4.42Å; E4-I68 PolarHBondContact N-O 3.37Å; E4-I68 PolarHBondContact O-N 3.44Å; E21-I68 HydrophobicContact CG-CG2 4.12Å; V22-I68 CarbonylContact O-C 3.47Å; V22-I68 WeakPolarHBondContact O-CA 3.24Å; M66-I68 HydrophobicContact CE-CG1 4.34Å; M66-I68 HydrophobicContact CG-CG1 4.3Å; M66-I68 HydrophobicContact SD-CG1 4.45Å
69	F	97.3	Very high	95.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	129	178.3	-57.1	-117.6	0	0	0	109.6	E2 I3 E21 V22 A67 L71 L103 V108 W111 I130	E2-F69 WeakPolarHBondContact O-CA 3.31Å; I3-F69 HydrophobicContact CD1-CD1 3.64Å; I3-F69 HydrophobicContact CD1-CE1 3.57Å; I3-F69 HydrophobicContact CG1-CD1 3.59Å; I3-F69 HydrophobicContact CG1-CE1 3.98Å; I3-F69 HydrophobicContact CG1-CG 4.27Å; I3-F69 HydrophobicContact CG2-CD1 4.34Å; I3-F69 HydrophobicContact CG2-CE1 4.22Å; I3-F69 HydrophobicContact CG2-CZ 4.44Å; E21-F69 CarbonylContact C-O 3.58Å; E21-F69 VanDerWaalsContact CA-O 3.27Å; E21-F69 WeakPolarHBondContact CA-O 3.28Å; V22-F69 HydrophobicContact CB-CB 3.96Å; V22-F69 HydrophobicContact CB-CD2 4.07Å; V22-F69 HydrophobicContact CB-CG 4.27Å; V22-F69 HydrophobicContact CG1-CD2 4.38Å; V22-F69 HydrophobicContact CG2-CB 4.39Å; V22-F69 PolarHBondContact N-O 3.44Å; V22-F69 PolarHBondContact O-N 3.24Å; A67-F69 HydrophobicContact CB-CD2 4.32Å; A67-F69 HydrophobicContact CB-CE2 3.61Å; A67-F69 HydrophobicContact CB-CZ 4.4Å; F69-L71 HydrophobicContact CB-CD2 3.79Å; F69-L71 HydrophobicContact CB-CG 4.09Å; F69-L71 HydrophobicContact CD1-CD2 4.29Å; F69-L103 HydrophobicContact CE2-CD2 3.94Å; F69-L103 HydrophobicContact CZ-CD2 3.87Å; F69-V108 HydrophobicContact CZ-CG1 4.45Å; F69-V108 HydrophobicContact CZ-CG2 4.12Å; F69-W111 AromaticContact CE1-CE3 3.76Å; F69-W111 HydrophobicContact CE1-CE3 3.76Å; F69-W111 AromaticContact CE1-CZ3 3.96Å; F69-W111 HydrophobicContact CE1-CZ3 3.96Å; F69-W111 HydrophobicContact CZ-CE3 4.01Å; F69-W111 AromaticContact CZ-CZ3 3.97Å; F69-W111 HydrophobicContact CZ-CZ3 3.97Å; F69-I130 HydrophobicContact CE1-CG1 4.41Å
70	N	95.2	Very high	94.7	Very high	19 Å²	19	33.5 Å²	33.5	10%	0.102	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	95.3	169	-68.3	-47.5	0	0	0	109.2	E2 H17 Q19 P72	E2-N70 HydrophobicContact CB-CB 4.28Å; E2-N70 PolarHBondContact N-O 3.29Å; E2-N70 PolarHBondContact O-N 2.88Å; H17-N70 PolarHBondContact CE1-OD1 2.97Å; H17-N70 PolarHBondContact NE2-OD1 2.92Å; Q19-N70 HydrophobicContact CB-CB 4.23Å; Q19-N70 HydrophobicContact CG-CB 4.23Å; N70-P72 WeakPolarHBondContact O-CD 3.44Å
71	L	95.7	Very high	94.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	120.1	-174.6	-51.4	-178.8	0	0	0	110.3	M1 Q19 V20 V22 F69 M73 W79 I130 L134	M1-L71 HydrophobicContact CE-CD2 3.99Å; M1-L71 HydrophobicContact CG-CD2 4.08Å; M1-L71 HydrophobicContact SD-CD2 4.07Å; Q19-L71 CarbonylContact C-O 3.59Å; Q19-L71 WeakPolarHBondContact CA-O 3.35Å; Q19-L71 VanDerWaalsContact CB-O 3.27Å; Q19-L71 WeakPolarHBondContact CB-O 3.48Å; V20-L71 HydrophobicContact CB-CB 4.26Å; V20-L71 PolarHBondContact N-O 2.91Å; V20-L71 WeakPolarHBondContact O-CB 3.3Å; V20-L71 PolarHBondContact O-N 3.46Å; V22-L71 HydrophobicContact CG2-CD1 3.52Å; V22-L71 HydrophobicContact CG2-CG 4.2Å; F69-L71 HydrophobicContact CB-CD2 3.79Å; F69-L71 HydrophobicContact CB-CG 4.09Å; F69-L71 HydrophobicContact CD1-CD2 4.29Å; L71-M73 PolarHBondContact O-N 3.01Å; L71-W79 HydrophobicContact CD1-CH2 4.27Å; L71-W79 HydrophobicContact CD1-CZ3 3.98Å; L71-W79 HydrophobicContact CD2-CH2 4.32Å; L71-I130 HydrophobicContact CD2-CG2 4.02Å; L71-L134 HydrophobicContact CD1-CD1 3.63Å
72	P	93.4	Very high	94.3	Very high	24 Å²	24	33.6 Å²	33.6	16%	0.156	19%	0.19	C	C	.	.			trans	-55.4	130.4	173.4	-24	33.5	0	0	0	111	M1 N70 H74 L75 F76	M1-P72 HydrophobicContact CB-CG 4.13Å; N70-P72 WeakPolarHBondContact O-CD 3.44Å; P72-H74 WeakPolarHBondContact CB-CE1 3.46Å; P72-H74 PolarHBondContact O-N 3.26Å; P72-L75 HydrophobicContact CB-CD1 4.29Å; P72-L75 HydrophobicContact CB-CG 4.28Å; P72-L75 HydrophobicContact CG-CD1 4.01Å; P72-L75 PolarHBondContact O-N 2.79Å; P72-F76 PolarHBondContact O-N 3.32Å; P72-F76 VanDerWaalsContact O-N 3.12Å
73	M	92.6	Very high	94	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-59.3	-34.8	-174.7	-177.1	60.9	71.7	0	0	112.8	V20 W50 L71 L75 F76 L77 T90 L170 M205	V20-M73 HydrophobicContact CG2-CE 3.43Å; V20-M73 VanDerWaalsContact CG2-CE 3.43Å; V20-M73 HydrophobicContact CG2-SD 3.89Å; W50-M73 HydrophobicContact CB-CE 4.45Å; W50-M73 HydrophobicContact CD2-CE 3.99Å; W50-M73 HydrophobicContact CG-CE 3.65Å; L71-M73 PolarHBondContact O-N 3.01Å; M73-L75 VanDerWaalsContact C-N 3.32Å; M73-L75 PolarHBondContact O-N 3.07Å; M73-F76 PolarHBondContact O-N 3.48Å; M73-F76 HydrophobicContact SD-CB 4.48Å; M73-F76 HydrophobicContact SD-CD1 3.93Å; M73-L77 HydrophobicContact CG-CD1 4.11Å; M73-L77 HydrophobicContact CG-CG 4.21Å; M73-L77 WeakPolarHBondContact O-CB 3.4Å; M73-L77 WeakPolarHBondContact O-CG 3.33Å; M73-L77 PolarHBondContact O-N 3.49Å; M73-L77 HydrophobicContact SD-CD1 4.34Å; M73-L77 HydrophobicContact SD-CD2 4.29Å; M73-L77 HydrophobicContact SD-CG 3.97Å; M73-T90 HydrophobicContact SD-CG2 4.41Å; M73-L170 HydrophobicContact CB-CD1 4.1Å; M73-L170 HydrophobicContact CG-CD1 3.52Å; M73-M205 HydrophobicContact CE-CE 4.12Å; M73-M205 HydrophobicContact CG-CE 3.73Å; M73-M205 HydrophobicContact CG-SD 4.25Å; M73-M205 HydrophobicContact SD-CE 4.32Å
74	H	92.9	Very high	93.7	Very high	47 Å²	47	35.6 Å²	35.6	22%	0.218	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	-38.8	177.3	64	-94.9	0	0	0	112.3	P72 S78 S167 L170	P72-H74 WeakPolarHBondContact CB-CE1 3.46Å; P72-H74 PolarHBondContact O-N 3.26Å; H74-S78 WeakPolarHBondContact O-CB 3.25Å; H74-S78 PolarHBondContact O-N 3.48Å; H74-S167 WeakPolarHBondContact CB-O 3.29Å; H74-S167 PolarHBondContact O-OG 2.9Å; H74-L170 HydrophobicContact CB-CB 3.84Å
75	L	94.3	Very high	93.5	Very high	32 Å²	32	28.7 Å²	28.7	17%	0.168	16%	0.16	C	C	.	.	H	α-helix	trans	-67.8	-47.9	175.6	-64.8	-180	0	0	0	110.9	M1 P72 M73 L77 S78 W79 I127	M1-L75 HydrophobicContact CE-CD1 3.65Å; P72-L75 HydrophobicContact CB-CD1 4.29Å; P72-L75 HydrophobicContact CB-CG 4.28Å; P72-L75 HydrophobicContact CG-CD1 4.01Å; P72-L75 PolarHBondContact O-N 2.79Å; M73-L75 VanDerWaalsContact C-N 3.32Å; M73-L75 PolarHBondContact O-N 3.07Å; L75-L77 VanDerWaalsContact C-N 3.25Å; L75-L77 PolarHBondContact O-N 3.49Å; L75-S78 WeakPolarHBondContact CA-OG 3.23Å; L75-S78 PolarHBondContact O-N 2.69Å; L75-S78 PolarHBondContact O-OG 2.9Å; L75-W79 HydrophobicContact CB-CH2 4.35Å; L75-W79 HydrophobicContact CB-CZ2 4.06Å; L75-W79 PolarHBondContact O-N 3.35Å; L75-W79 VanDerWaalsContact O-N 3.07Å; L75-I127 HydrophobicContact CD1-CG2 4.02Å
76	F	95	Very high	93.3	Very high	1 Å²	1	27.2 Å²	27.2	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-53.6	-43.8	176.2	179.4	-98.5	0	0	0	112	V20 P72 M73 W79 L81 I86 V89 L134	V20-F76 HydrophobicContact CB-CD2 4.39Å; V20-F76 HydrophobicContact CB-CG 4.4Å; V20-F76 HydrophobicContact CG1-CD2 4.24Å; V20-F76 HydrophobicContact CG1-CE2 4.32Å; V20-F76 HydrophobicContact CG2-CB 4.09Å; V20-F76 HydrophobicContact CG2-CD1 3.84Å; V20-F76 HydrophobicContact CG2-CD2 4.13Å; V20-F76 HydrophobicContact CG2-CE1 4.32Å; V20-F76 HydrophobicContact CG2-CG 3.74Å; P72-F76 PolarHBondContact O-N 3.32Å; P72-F76 VanDerWaalsContact O-N 3.12Å; M73-F76 PolarHBondContact O-N 3.48Å; M73-F76 HydrophobicContact SD-CB 4.48Å; M73-F76 HydrophobicContact SD-CD1 3.93Å; F76-W79 HydrophobicContact CB-CE3 4.46Å; F76-W79 HydrophobicContact CB-CZ3 4.41Å; F76-W79 HydrophobicContact CD2-CE3 4.43Å; F76-W79 HydrophobicContact CD2-CZ3 4.45Å; F76-L81 HydrophobicContact CD2-CD1 3.91Å; F76-L81 HydrophobicContact CE2-CD1 3.59Å; F76-L81 HydrophobicContact CZ-CD1 4.1Å; F76-I86 HydrophobicContact CE1-CG1 4.14Å; F76-I86 HydrophobicContact CZ-CG1 4.42Å; F76-V89 HydrophobicContact CE1-CB 4.19Å; F76-V89 HydrophobicContact CE1-CG1 4.08Å; F76-V89 HydrophobicContact CZ-CB 4.02Å; F76-V89 HydrophobicContact CZ-CG1 4Å; F76-V89 HydrophobicContact CZ-CG2 4.03Å; F76-L134 HydrophobicContact CD2-CD1 4.2Å; F76-L134 HydrophobicContact CE2-CD1 4.43Å
77	L	92.9	Very high	92.9	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-75.9	-18.4	176.8	-65.2	-177	0	0	0	114.2	M73 L75 I86 T90 Q163 V166 L170 V204 M205	M73-L77 HydrophobicContact CG-CD1 4.11Å; M73-L77 HydrophobicContact CG-CG 4.21Å; M73-L77 WeakPolarHBondContact O-CB 3.4Å; M73-L77 WeakPolarHBondContact O-CG 3.33Å; M73-L77 PolarHBondContact O-N 3.49Å; M73-L77 HydrophobicContact SD-CD1 4.34Å; M73-L77 HydrophobicContact SD-CD2 4.29Å; M73-L77 HydrophobicContact SD-CG 3.97Å; L75-L77 VanDerWaalsContact C-N 3.25Å; L75-L77 PolarHBondContact O-N 3.49Å; L77-I86 HydrophobicContact CD2-CG2 3.57Å; L77-T90 HydrophobicContact CD2-CG2 4.06Å; L77-Q163 HydrophobicContact CB-CG 4.21Å; L77-Q163 HydrophobicContact CD2-CG 4.3Å; L77-Q163 PolarHBondContact O-NE2 3.09Å; L77-V166 HydrophobicContact CD1-CG1 3.94Å; L77-L170 HydrophobicContact CD1-CD1 3.59Å; L77-V204 HydrophobicContact CD1-CG1 4.42Å; L77-M205 HydrophobicContact CD1-SD 4.27Å
78	S	92.7	Very high	92.6	Very high	70 Å²	70	29.5 Å²	29.5	49%	0.49	16%	0.161	S	C	.	.	H	α-helix	trans	-85	-23.1	176.5	72.6	0	0	0	0	113.4	H74 L75	H74-S78 WeakPolarHBondContact O-CB 3.25Å; H74-S78 PolarHBondContact O-N 3.48Å; L75-S78 WeakPolarHBondContact CA-OG 3.23Å; L75-S78 PolarHBondContact O-N 2.69Å; L75-S78 PolarHBondContact O-OG 2.9Å
79	W	94	Very high	92.3	Very high	20 Å²	20	28.9 Å²	28.9	8%	0.076	16%	0.158	C	C	.	.	S	Bend	trans	-70.6	147.8	-178.4	-68.2	-34.5	0	0	0	111.9	M1 L71 L75 F76 L81 I127 I130 L134	M1-W79 HydrophobicContact CE-CH2 3.71Å; M1-W79 HydrophobicContact CE-CZ2 3.77Å; L71-W79 HydrophobicContact CD1-CH2 4.27Å; L71-W79 HydrophobicContact CD1-CZ3 3.98Å; L71-W79 HydrophobicContact CD2-CH2 4.32Å; L75-W79 HydrophobicContact CB-CH2 4.35Å; L75-W79 HydrophobicContact CB-CZ2 4.06Å; L75-W79 PolarHBondContact O-N 3.35Å; L75-W79 VanDerWaalsContact O-N 3.07Å; F76-W79 HydrophobicContact CB-CE3 4.46Å; F76-W79 HydrophobicContact CB-CZ3 4.41Å; F76-W79 HydrophobicContact CD2-CE3 4.43Å; F76-W79 HydrophobicContact CD2-CZ3 4.45Å; W79-L81 HydrophobicContact CB-CD1 4.32Å; W79-L81 HydrophobicContact CB-CD2 4.37Å; W79-L81 HydrophobicContact CB-CG 3.91Å; W79-L81 HydrophobicContact CE3-CD1 4.45Å; W79-L81 PolarHBondContact O-N 3.11Å; W79-I127 HydrophobicContact CZ2-CG2 4.24Å; W79-I130 HydrophobicContact CH2-CG2 3.94Å; W79-I130 HydrophobicContact CZ2-CG2 4.43Å; W79-L134 HydrophobicContact CE3-CD1 3.74Å; W79-L134 HydrophobicContact CH2-CD1 4.35Å; W79-L134 HydrophobicContact CZ3-CD1 3.4Å
80	P	88.5	Confident	91.9	Very high	91 Å²	91	28.9 Å²	28.9	59%	0.591	16%	0.158	S	C	*	.			trans	-78.3	62.8	-178.7	34.6	-37.4	0	0	0	111.2	K135	P80-K135 HydrophobicContact CG-CD 4.21Å
81	L	91.6	Very high	91.4	Very high	18 Å²	18	28.6 Å²	28.6	9%	0.094	16%	0.156	C	C	.	.			trans	-90.2	161.5	178	-57.2	-177.7	0	0	0	111.1	F76 W79 L85 I86 L134 K135	F76-L81 HydrophobicContact CD2-CD1 3.91Å; F76-L81 HydrophobicContact CE2-CD1 3.59Å; F76-L81 HydrophobicContact CZ-CD1 4.1Å; W79-L81 HydrophobicContact CB-CD1 4.32Å; W79-L81 HydrophobicContact CB-CD2 4.37Å; W79-L81 HydrophobicContact CB-CG 3.91Å; W79-L81 HydrophobicContact CE3-CD1 4.45Å; W79-L81 PolarHBondContact O-N 3.11Å; L81-L85 HydrophobicContact CB-CD2 4.17Å; L81-L85 HydrophobicContact CD1-CD2 4.34Å; L81-I86 HydrophobicContact CB-CD1 3.92Å; L81-I86 HydrophobicContact CB-CG1 4.12Å; L81-L134 HydrophobicContact CD1-CB 4.4Å; L81-L134 HydrophobicContact CD2-CB 3.85Å; L81-K135 HydrophobicContact CD2-CB 4.27Å
82	D	89.9	Confident	91	Very high	63 Å²	63	29.2 Å²	29.2	34%	0.337	16%	0.162	S	C	.	.			trans	-60.3	144.3	173.6	175.9	62.6	0	0	0	112.1	D84 L85 I86 S138	D82-D84 WeakPolarHBondContact OD2-CA 3.4Å; D82-D84 VanDerWaalsContact OD2-CB 3.24Å; D82-D84 WeakPolarHBondContact OD2-CB 3.36Å; D82-D84 PolarHBondContact OD2-N 2.99Å; D82-L85 HydrophobicContact CB-CB 4.03Å; D82-L85 WeakPolarHBondContact O-CB 3.21Å; D82-L85 PolarHBondContact O-N 2.68Å; D82-L85 PolarHBondContact OD2-N 3.39Å; D82-I86 WeakPolarHBondContact O-CD1 3.29Å; D82-I86 PolarHBondContact O-N 3.4Å; D82-I86 VanDerWaalsContact O-N 3.07Å; D82-S138 WeakPolarHBondContact CB-OG 3.44Å; D82-S138 PolarHBondContact N-OG 3.45Å
83	K	87.9	Confident	91	Very high	78 Å²	78	28.3 Å²	28.3	34%	0.339	16%	0.156	S	C	.	.	H	α-helix	trans	-68.9	-37.3	-177.5	-74.2	-179.4	178.3	176.5	0	112.2	L85 I86 N87	K83-L85 VanDerWaalsContact C-N 3.33Å; K83-I86 PolarHBondContact O-N 2.94Å; K83-N87 WeakPolarHBondContact O-CB 3.24Å; K83-N87 PolarHBondContact O-N 3.2Å
84	D	89.9	Confident	91.1	Very high	85 Å²	85	28.3 Å²	28.3	46%	0.455	16%	0.156	S	C	.	.	H	α-helix	trans	-67.9	-42.8	178.9	-64.7	-34.3	0	0	0	108.5	D82 I86 N87 H88 W142	D82-D84 WeakPolarHBondContact OD2-CA 3.4Å; D82-D84 VanDerWaalsContact OD2-CB 3.24Å; D82-D84 WeakPolarHBondContact OD2-CB 3.36Å; D82-D84 PolarHBondContact OD2-N 2.99Å; D84-I86 PolarHBondContact O-N 3.25Å; D84-N87 PolarHBondContact O-N 2.85Å; D84-N87 VanDerWaalsContact O-N 3.17Å; D84-H88 PolarHBondContact O-N 3.35Å; D84-H88 PolarHBondContact O-ND1 3.04Å; D84-W142 HydrophobicContact CB-CH2 4.21Å; D84-W142 HydrophobicContact CB-CZ2 4Å
85	L	92.2	Very high	91.3	Very high	1 Å²	1	26 Å²	26	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-50.9	-57.5	171.9	169.4	55.9	0	0	0	111.9	L48 L81 D82 K83 N87 H88 V89 I95 F137 W142	L48-L85 HydrophobicContact CD1-CD1 4.42Å; L81-L85 HydrophobicContact CB-CD2 4.17Å; L81-L85 HydrophobicContact CD1-CD2 4.34Å; D82-L85 HydrophobicContact CB-CB 4.03Å; D82-L85 WeakPolarHBondContact O-CB 3.21Å; D82-L85 PolarHBondContact O-N 2.68Å; D82-L85 PolarHBondContact OD2-N 3.39Å; K83-L85 VanDerWaalsContact C-N 3.33Å; L85-N87 VanDerWaalsContact C-N 3.28Å; L85-N87 PolarHBondContact O-N 3.36Å; L85-H88 PolarHBondContact O-N 2.91Å; L85-V89 HydrophobicContact CD1-CG2 3.98Å; L85-V89 VanDerWaalsContact O-CG2 3.29Å; L85-V89 WeakPolarHBondContact O-CG2 3.26Å; L85-V89 PolarHBondContact O-N 2.92Å; L85-V89 VanDerWaalsContact O-N 3.12Å; L85-I95 HydrophobicContact CD1-CD1 2.97Å; L85-I95 HydrophobicContact CD1-CG1 4.43Å; L85-I95 HydrophobicContact CG-CD1 4.47Å; L85-F137 HydrophobicContact CD1-CE1 3.84Å; L85-F137 HydrophobicContact CD2-CD1 4.07Å; L85-F137 HydrophobicContact CD2-CE1 4.04Å; L85-W142 HydrophobicContact CB-CZ2 4.03Å
86	I	91.6	Very high	91.4	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-57.3	-43.9	179.4	-71.4	153.1	0	0	0	111.3	F76 L77 L81 D82 K83 D84 T90	F76-I86 HydrophobicContact CE1-CG1 4.14Å; F76-I86 HydrophobicContact CZ-CG1 4.42Å; L77-I86 HydrophobicContact CD2-CG2 3.57Å; L81-I86 HydrophobicContact CB-CD1 3.92Å; L81-I86 HydrophobicContact CB-CG1 4.12Å; D82-I86 WeakPolarHBondContact O-CD1 3.29Å; D82-I86 PolarHBondContact O-N 3.4Å; D82-I86 VanDerWaalsContact O-N 3.07Å; K83-I86 PolarHBondContact O-N 2.94Å; D84-I86 PolarHBondContact O-N 3.25Å; I86-T90 HydrophobicContact CG2-CG2 4.32Å; I86-T90 WeakPolarHBondContact O-CB 3.25Å; I86-T90 WeakPolarHBondContact O-CG2 3.08Å; I86-T90 PolarHBondContact O-N 3.35Å; I86-T90 PolarHBondContact O-OG1 2.91Å
87	N	88.9	Confident	91.5	Very high	10 Å²	10	25.4 Å²	25.4	5%	0.053	14%	0.141	C	C	.	.	H	α-helix	trans	-63	-46.3	-179.6	-169.4	72.1	0	0	0	111.5	K83 D84 L85 V89 T90 H91	K83-N87 WeakPolarHBondContact O-CB 3.24Å; K83-N87 PolarHBondContact O-N 3.2Å; D84-N87 PolarHBondContact O-N 2.85Å; D84-N87 VanDerWaalsContact O-N 3.17Å; L85-N87 VanDerWaalsContact C-N 3.28Å; L85-N87 PolarHBondContact O-N 3.36Å; N87-V89 PolarHBondContact O-N 3.18Å; N87-T90 PolarHBondContact O-OG1 3.45Å; N87-H91 WeakPolarHBondContact O-CB 3.45Å; N87-H91 VanDerWaalsContact O-CG 3.3Å; N87-H91 PolarHBondContact O-N 2.75Å; N87-H91 VanDerWaalsContact O-N 3.11Å; N87-H91 PolarHBondContact O-ND1 2.7Å; N87-H91 PolarHBondContact OD1-CE1 3.14Å
88	H	90.7	Very high	91.7	Very high	40 Å²	40	29.6 Å²	29.6	19%	0.185	16%	0.163	C	C	.	.	H	α-helix	trans	-63.3	-44.1	-179	-72.6	69.8	0	0	0	111.3	D84 L85 H91 M93 I95 W142	D84-H88 PolarHBondContact O-N 3.35Å; D84-H88 PolarHBondContact O-ND1 3.04Å; L85-H88 PolarHBondContact O-N 2.91Å; H88-H91 PolarHBondContact O-N 2.88Å; H88-M93 HydrophobicContact CB-CB 4.3Å; H88-M93 HydrophobicContact CB-CG 4.39Å; H88-M93 HydrophobicContact CB-SD 4.09Å; H88-M93 PolarHBondContact CD2-SD 2.92Å; H88-M93 VanDerWaalsContact O-CB 3.26Å; H88-M93 WeakPolarHBondContact O-CB 3.35Å; H88-M93 WeakPolarHBondContact O-CG 3.36Å; H88-M93 PolarHBondContact O-N 3.17Å; H88-M93 VanDerWaalsContact O-N 3.08Å; H88-I95 HydrophobicContact CB-CG2 4.28Å; H88-W142 HydrophobicContact CB-CH2 4.36Å; H88-W142 HydrophobicContact CB-CZ3 4.37Å; H88-W142 AromaticContact CE1-CH2 3.85Å; H88-W142 AromaticContact CG-CH2 3.81Å; H88-W142 AromaticContact ND1-CH2 3.64Å
89	V	91.6	Very high	91.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.3	-49.4	-179.7	178.5	0	0	0	0	111.9	V20 L48 W50 F76 L85 N87 H91 G92 I95	V20-V89 HydrophobicContact CG1-CG1 4.16Å; V20-V89 HydrophobicContact CG2-CG1 4.08Å; L48-V89 HydrophobicContact CD1-CB 4.29Å; L48-V89 HydrophobicContact CD1-CG1 4.1Å; L48-V89 HydrophobicContact CD1-CG2 3.16Å; W50-V89 HydrophobicContact CB-CG1 4.23Å; W50-V89 WeakPolarHBondContact CB-O 3.43Å; F76-V89 HydrophobicContact CE1-CB 4.19Å; F76-V89 HydrophobicContact CE1-CG1 4.08Å; F76-V89 HydrophobicContact CZ-CB 4.02Å; F76-V89 HydrophobicContact CZ-CG1 4Å; F76-V89 HydrophobicContact CZ-CG2 4.03Å; L85-V89 HydrophobicContact CD1-CG2 3.98Å; L85-V89 VanDerWaalsContact O-CG2 3.29Å; L85-V89 WeakPolarHBondContact O-CG2 3.26Å; L85-V89 PolarHBondContact O-N 2.92Å; L85-V89 VanDerWaalsContact O-N 3.12Å; N87-V89 PolarHBondContact O-N 3.18Å; V89-H91 PolarHBondContact O-N 3.01Å; V89-G92 PolarHBondContact O-N 3.31Å; V89-I95 HydrophobicContact CG2-CD1 3.89Å; V89-I95 HydrophobicContact CG2-CG1 4.41Å
90	T	87.7	Confident	91.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.6	-19.3	179.7	51.8	0	0	0	0	113.2	M73 L77 I86 N87 G92 V204	M73-T90 HydrophobicContact SD-CG2 4.41Å; L77-T90 HydrophobicContact CD2-CG2 4.06Å; I86-T90 HydrophobicContact CG2-CG2 4.32Å; I86-T90 WeakPolarHBondContact O-CB 3.25Å; I86-T90 WeakPolarHBondContact O-CG2 3.08Å; I86-T90 PolarHBondContact O-N 3.35Å; I86-T90 PolarHBondContact O-OG1 2.91Å; N87-T90 PolarHBondContact O-OG1 3.45Å; T90-G92 VanDerWaalsContact C-N 3.32Å; T90-V204 WeakPolarHBondContact CB-O 3.25Å
91	H	86.1	Confident	91.7	Very high	14 Å²	14	34 Å²	34	7%	0.065	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	15.1	175.3	-68.3	68	0	0	0	113.5	N87 H88 V89 N148 Q206	N87-H91 WeakPolarHBondContact O-CB 3.45Å; N87-H91 VanDerWaalsContact O-CG 3.3Å; N87-H91 PolarHBondContact O-N 2.75Å; N87-H91 VanDerWaalsContact O-N 3.11Å; N87-H91 PolarHBondContact O-ND1 2.7Å; N87-H91 PolarHBondContact OD1-CE1 3.14Å; H88-H91 PolarHBondContact O-N 2.88Å; V89-H91 PolarHBondContact O-N 3.01Å; H91-N148 WeakPolarHBondContact O-CB 3.33Å; H91-N148 PolarHBondContact O-ND2 3.23Å; H91-N148 VanDerWaalsContact O-ND2 3.09Å; H91-Q206 PolarHBondContact CD2-NE2 2.74Å; H91-Q206 PolarHBondContact NE2-NE2 3.3Å
92	G	87.4	Confident	91.5	Very high	13 Å²	13	34.9 Å²	34.9	13%	0.134	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	21.2	171.8	0	0	0	0	0	114	V89 T90	V89-G92 PolarHBondContact O-N 3.31Å; T90-G92 VanDerWaalsContact C-N 3.32Å
93	M	92.3	Very high	91.7	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.02	17%	0.171	C	C	.	.			trans	-79.5	151.8	169.8	-53.9	-160	-167	0	0	110.6	H88 I95 P144 L146 V147 T153	H88-M93 HydrophobicContact CB-CB 4.3Å; H88-M93 HydrophobicContact CB-CG 4.39Å; H88-M93 HydrophobicContact CB-SD 4.09Å; H88-M93 PolarHBondContact CD2-SD 2.92Å; H88-M93 VanDerWaalsContact O-CB 3.26Å; H88-M93 WeakPolarHBondContact O-CB 3.35Å; H88-M93 WeakPolarHBondContact O-CG 3.36Å; H88-M93 PolarHBondContact O-N 3.17Å; H88-M93 VanDerWaalsContact O-N 3.08Å; M93-I95 HydrophobicContact CB-CG2 4.45Å; M93-P144 HydrophobicContact SD-CB 4.41Å; M93-L146 VanDerWaalsContact CA-O 3.25Å; M93-L146 WeakPolarHBondContact CA-O 3.33Å; M93-L146 WeakPolarHBondContact CB-O 3.25Å; M93-V147 HydrophobicContact CE-CG1 4.01Å; M93-V147 HydrophobicContact SD-CG1 4.12Å; M93-V147 HydrophobicContact SD-CG2 4.34Å; M93-T153 HydrophobicContact CE-CG2 3.38Å
94	V	95.8	Very high	92	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.6	166.9	-172.9	0	0	0	0	106.9	I34 V39 T47 F49 P144 I145 L146	I34-V94 HydrophobicContact CB-CG2 4.34Å; I34-V94 HydrophobicContact CD1-CG1 4.25Å; I34-V94 HydrophobicContact CD1-CG2 3.64Å; I34-V94 HydrophobicContact CG2-CG2 3.9Å; V39-V94 HydrophobicContact CG1-CG1 4.2Å; T47-V94 HydrophobicContact CG2-CG1 3.54Å; F49-V94 HydrophobicContact CB-CB 4.26Å; F49-V94 HydrophobicContact CB-CG1 4.19Å; F49-V94 HydrophobicContact CB-CG2 3.85Å; F49-V94 HydrophobicContact CD1-CG1 4.32Å; F49-V94 HydrophobicContact CG-CG2 4.41Å; V94-P144 CarbonylContact O-C 3.46Å; V94-P144 WeakPolarHBondContact O-CA 3.36Å; V94-I145 HydrophobicContact CB-CG1 3.94Å; V94-I145 HydrophobicContact CG1-CD1 3.79Å; V94-I145 HydrophobicContact CG1-CG1 3.69Å; V94-I145 PolarHBondContact O-N 3.48Å; V94-L146 HydrophobicContact CB-CB 3.75Å; V94-L146 HydrophobicContact CG2-CB 3.7Å; V94-L146 HydrophobicContact CG2-CD2 3.83Å; V94-L146 HydrophobicContact CG2-CG 4.33Å; V94-L146 PolarHBondContact N-O 3.44Å; V94-L146 PolarHBondContact O-N 3.07Å
95	I	96.1	Very high	92.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	154.5	-179.8	72.2	173.4	0	0	0	110.6	T47 L48 L85 H88 V89 M93 F137 W142 E143 P144	T47-I95 WeakPolarHBondContact CA-O 3.37Å; L48-I95 HydrophobicContact CD1-CD1 3.5Å; L48-I95 HydrophobicContact CD1-CG1 3.52Å; L48-I95 HydrophobicContact CD2-CD1 4.05Å; L48-I95 HydrophobicContact CD2-CG1 4.19Å; L48-I95 HydrophobicContact CG-CD1 3.76Å; L48-I95 HydrophobicContact CG-CG1 3.48Å; L48-I95 VanDerWaalsContact CG-CG1 3.48Å; L48-I95 PolarHBondContact N-O 3.48Å; L48-I95 PolarHBondContact O-N 3.44Å; L85-I95 HydrophobicContact CD1-CD1 2.97Å; L85-I95 HydrophobicContact CD1-CG1 4.43Å; L85-I95 HydrophobicContact CG-CD1 4.47Å; H88-I95 HydrophobicContact CB-CG2 4.28Å; V89-I95 HydrophobicContact CG2-CD1 3.89Å; V89-I95 HydrophobicContact CG2-CG1 4.41Å; M93-I95 HydrophobicContact CB-CG2 4.45Å; I95-F137 HydrophobicContact CD1-CE1 3.84Å; I95-F137 HydrophobicContact CD1-CZ 3.78Å; I95-F137 HydrophobicContact CG1-CZ 4.1Å; I95-W142 HydrophobicContact CB-CE3 4.21Å; I95-W142 HydrophobicContact CD1-CD2 4.27Å; I95-W142 HydrophobicContact CD1-CE3 4.23Å; I95-W142 HydrophobicContact CD1-CG 4.42Å; I95-W142 HydrophobicContact CG2-CE3 4.08Å; I95-W142 HydrophobicContact CG2-CZ3 4.24Å; I95-E143 CarbonylContact C-O 2.92Å; I95-E143 VanDerWaalsContact CA-O 3.28Å; I95-E143 WeakPolarHBondContact CA-O 3.39Å; I95-P144 HydrophobicContact CG2-CB 4.49Å
96	K	97	Very high	92.5	Very high	19 Å²	19	34.7 Å²	34.7	8%	0.083	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	146.3	-177.1	-174.9	-174	167.5	-168.7	0	110.2	N42 H45 I46 W142 E143 I145	N42-K96 PolarHBondContact OD1-NZ 3.43Å; H45-K96 HydrophobicContact CB-CD 4.26Å; H45-K96 HydrophobicContact CB-CG 3.86Å; H45-K96 WeakPolarHBondContact CD2-CE 3.48Å; H45-K96 PolarHBondContact CD2-NZ 3.26Å; H45-K96 VanDerWaalsContact ND1-CE 3.25Å; H45-K96 WeakPolarHBondContact ND1-CE 3.27Å; H45-K96 WeakPolarHBondContact NE2-CE 3.11Å; H45-K96 PolarHBondContact NE2-NZ 3.08Å; I46-K96 CarbonylContact O-C 3.59Å; I46-K96 WeakPolarHBondContact O-CA 3.39Å; K96-W142 CarbonylContact O-C 3.58Å; K96-W142 WeakPolarHBondContact O-CA 3.36Å; K96-W142 WeakPolarHBondContact O-CB 3.29Å; K96-E143 PolarHBondContact N-O 3.23Å; K96-E143 PolarHBondContact O-N 2.95Å; K96-I145 HydrophobicContact CB-CD1 4.23Å; K96-I145 HydrophobicContact CB-CG2 3.69Å; K96-I145 HydrophobicContact CD-CG2 4.07Å
97	S	97.3	Very high	92.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	142.4	172.5	64.3	0	0	0	0	110.9	H45 I46 A99	H45-S97 WeakPolarHBondContact CA-OG 3.33Å; H45-S97 PolarHBondContact CE1-O 3.32Å; H45-S97 PolarHBondContact ND1-O 3.19Å; I46-S97 PolarHBondContact N-OG 2.93Å; I46-S97 PolarHBondContact O-N 3.04Å; S97-A99 VanDerWaalsContact CB-O 3.32Å; S97-A99 WeakPolarHBondContact CB-O 3.36Å; S97-A99 PolarHBondContact OG-O 3.11Å
98	L	96.5	Very high	93.2	Very high	92 Å²	92	37 Å²	37	48%	0.482	20%	0.196	S	C	.	.	S	Bend	trans	-74.6	-44.8	169.4	-66.5	178.8	0	0	0	111	H45 G141 E143	H45-L98 PolarHBondContact CE1-O 3.45Å; L98-G141 PolarHBondContact N-O 3.16Å; L98-E143 HydrophobicContact CD2-CB 4.12Å; L98-E143 HydrophobicContact CD2-CG 3.89Å
99	A	94.3	Very high	93.5	Very high	39 Å²	39	40.3 Å²	40.3	32%	0.322	21%	0.207	S	C	.	.	S	Bend	trans	-78.6	140.8	174.9	0	0	0	0	0	111.7	S97 Q102	S97-A99 VanDerWaalsContact CB-O 3.32Å; S97-A99 WeakPolarHBondContact CB-O 3.36Å; S97-A99 PolarHBondContact OG-O 3.11Å; A99-Q102 HydrophobicContact CB-CG 4.3Å; A99-Q102 PolarHBondContact O-NE2 2.68Å
100	T	92.9	Very high	93.8	Very high	69 Å²	69	44.1 Å²	44.1	42%	0.423	22%	0.221	S	C	.	.	S	Bend	trans	-92.9	166.9	173.1	55.4	0	0	0	0	111.4	G44 H45 Q102	G44-T100 CarbonylContact O-C 3.56Å; G44-T100 VanDerWaalsContact O-CA 3.27Å; G44-T100 WeakPolarHBondContact O-CA 3.43Å; H45-T100 WeakPolarHBondContact CE1-CG2 3.21Å; H45-T100 VanDerWaalsContact NE2-CG2 3.29Å; H45-T100 WeakPolarHBondContact NE2-CG2 3.35Å; T100-Q102 PolarHBondContact O-N 3.12Å; T100-Q102 VanDerWaalsContact O-N 3.14Å
101	Q	87.5	Confident	94.3	Very high	166 Å²	166	44.5 Å²	44.5	78%	0.776	22%	0.223	S	C	*	.			trans	57.6	30.9	170.4	-55.7	177.5	17.8	0	0	114.2	G44 L103	G44-Q101 PolarHBondContact O-N 3.03Å; Q101-L103 PolarHBondContact O-N 3.26Å
102	Q	88.8	Confident	94.8	Very high	36 Å²	36	46.6 Å²	46.6	17%	0.168	23%	0.233	C	C	.	.	S	Bend	trans	-74.1	-9.3	173.9	-66.4	-169.7	47.2	0	0	113.4	I46 A99 T100	I46-Q102 HydrophobicContact CD1-CB 3.9Å; A99-Q102 HydrophobicContact CB-CG 4.3Å; A99-Q102 PolarHBondContact O-NE2 2.68Å; T100-Q102 PolarHBondContact O-N 3.12Å; T100-Q102 VanDerWaalsContact O-N 3.14Å
103	L	92.7	Very high	95.3	Very high	11 Å²	11	52.9 Å²	52.9	6%	0.058	26%	0.259	C	S	.	.	S	Bend	trans	-139.4	143.3	-176.9	-178.6	63.8	0	0	0	107.8	V24 F26 F69 Q101 E107 V108 W111	V24-L103 HydrophobicContact CB-CD2 4.26Å; V24-L103 HydrophobicContact CG1-CD2 4.29Å; V24-L103 HydrophobicContact CG2-CD2 3.9Å; F26-L103 HydrophobicContact CE1-CG 4.43Å; F26-L103 WeakPolarHBondContact CE1-O 3.15Å; F26-L103 HydrophobicContact CZ-CD2 4.22Å; F26-L103 HydrophobicContact CZ-CG 4.21Å; F69-L103 HydrophobicContact CE2-CD2 3.94Å; F69-L103 HydrophobicContact CZ-CD2 3.87Å; Q101-L103 PolarHBondContact O-N 3.26Å; L103-E107 HydrophobicContact CD1-CB 3.95Å; L103-V108 HydrophobicContact CD1-CG2 3.81Å; L103-V108 HydrophobicContact CD2-CG2 3.59Å; L103-V108 HydrophobicContact CG-CG2 3.72Å; L103-W111 HydrophobicContact CD1-CE3 4.38Å; L103-W111 HydrophobicContact CD1-CH2 3.66Å; L103-W111 HydrophobicContact CD1-CZ3 3.36Å
104	S	94.9	Very high	95.5	Very high	43 Å²	43	54.4 Å²	54.4	30%	0.301	27%	0.266	S	S	.	.			trans	-120.4	163	170.6	95.1	0	0	0	0	111.1	F106 E107 V108	S104-F106 PolarHBondContact O-N 3.02Å; S104-F106 VanDerWaalsContact O-N 3.09Å; S104-F106 WeakPolarHBondContact OG-CB 3.5Å; S104-F106 PolarHBondContact OG-N 2.86Å; S104-F106 VanDerWaalsContact OG-N 3.13Å; S104-E107 WeakPolarHBondContact CA-OE2 3.06Å; S104-E107 WeakPolarHBondContact CB-OE2 3.31Å; S104-E107 PolarHBondContact N-OE2 2.97Å; S104-E107 VanDerWaalsContact N-OE2 3.14Å; S104-E107 PolarHBondContact O-N 3.24Å; S104-E107 PolarHBondContact OG-OE2 3.31Å; S104-V108 WeakPolarHBondContact O-CG2 3.25Å; S104-V108 PolarHBondContact O-N 3.23Å
105	P	96.1	Very high	95.6	Very high	36 Å²	36	55.4 Å²	55.4	23%	0.234	27%	0.271	C	S	.	.	H	α-helix	trans	-57.3	-21.4	173.2	-28.1	37.7	0	0	0	114.4	F5 F26 R109	F5-P105 HydrophobicContact CE2-CB 3.83Å; F5-P105 HydrophobicContact CE2-CG 4.17Å; F5-P105 HydrophobicContact CZ-CB 3.72Å; F5-P105 HydrophobicContact CZ-CG 4.18Å; F26-P105 HydrophobicContact CD1-CG 3.91Å; F26-P105 HydrophobicContact CD2-CG 4.19Å; F26-P105 HydrophobicContact CE1-CG 4.11Å; F26-P105 HydrophobicContact CE2-CG 4.37Å; F26-P105 HydrophobicContact CG-CG 3.96Å; F26-P105 HydrophobicContact CZ-CG 4.33Å; P105-R109 WeakPolarHBondContact O-CB 3.47Å; P105-R109 WeakPolarHBondContact O-CG 3.49Å; P105-R109 PolarHBondContact O-N 3.42Å; P105-R109 VanDerWaalsContact O-N 3.14Å; P105-R109 PolarHBondContact O-NE 2.83Å
106	F	97	Very high	95.5	Very high	133 Å²	133	61.8 Å²	61.8	58%	0.583	31%	0.305	S	S	*	.	H	α-helix	trans	-66.4	-53.9	178.3	175.6	-96.7	0	0	0	111.6	S104 V108 R109 R110	S104-F106 PolarHBondContact O-N 3.02Å; S104-F106 VanDerWaalsContact O-N 3.09Å; S104-F106 WeakPolarHBondContact OG-CB 3.5Å; S104-F106 PolarHBondContact OG-N 2.86Å; S104-F106 VanDerWaalsContact OG-N 3.13Å; F106-V108 VanDerWaalsContact C-N 3.31Å; F106-V108 PolarHBondContact O-N 2.78Å; F106-R109 PolarHBondContact O-N 3.26Å; F106-R110 PolarHBondContact O-N 3.12Å
107	E	97.1	Very high	95.5	Very high	60 Å²	60	62 Å²	62	28%	0.28	31%	0.309	S	S	.	.	H	α-helix	trans	-61.7	-41.4	179.2	-64.4	90	160.9	0	0	111	L103 S104 R109 R110 W111	L103-E107 HydrophobicContact CD1-CB 3.95Å; S104-E107 WeakPolarHBondContact CA-OE2 3.06Å; S104-E107 WeakPolarHBondContact CB-OE2 3.31Å; S104-E107 PolarHBondContact N-OE2 2.97Å; S104-E107 VanDerWaalsContact N-OE2 3.14Å; S104-E107 PolarHBondContact O-N 3.24Å; S104-E107 PolarHBondContact OG-OE2 3.31Å; E107-R109 PolarHBondContact O-N 2.87Å; E107-R110 PolarHBondContact O-N 3.16Å; E107-W111 HydrophobicContact CB-CD2 4.39Å; E107-W111 HydrophobicContact CB-CE3 4.35Å; E107-W111 HydrophobicContact CB-CH2 3.93Å; E107-W111 HydrophobicContact CB-CZ2 3.95Å; E107-W111 HydrophobicContact CB-CZ3 4.15Å; E107-W111 VanDerWaalsContact O-CD2 3.32Å; E107-W111 VanDerWaalsContact O-CG 3.27Å; E107-W111 PolarHBondContact O-N 2.88Å
108	V	97.4	Very high	95.4	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-60.8	-47.4	179.9	-175.4	0	0	0	0	111.5	I3 F5 F26 A67 F69 L103 S104 F106 R110 W111 Q112	I3-V108 HydrophobicContact CG2-CG1 3.68Å; F5-V108 HydrophobicContact CB-CG1 3.82Å; F5-V108 HydrophobicContact CD2-CB 4.33Å; F5-V108 HydrophobicContact CD2-CG1 4.01Å; F5-V108 HydrophobicContact CG-CG1 4.26Å; F26-V108 HydrophobicContact CE2-CG2 4.49Å; F26-V108 HydrophobicContact CZ-CG2 3.95Å; A67-V108 HydrophobicContact CB-CB 4.39Å; A67-V108 HydrophobicContact CB-CG1 3.68Å; A67-V108 HydrophobicContact CB-CG2 3.83Å; F69-V108 HydrophobicContact CZ-CG1 4.45Å; F69-V108 HydrophobicContact CZ-CG2 4.12Å; L103-V108 HydrophobicContact CD1-CG2 3.81Å; L103-V108 HydrophobicContact CD2-CG2 3.59Å; L103-V108 HydrophobicContact CG-CG2 3.72Å; S104-V108 WeakPolarHBondContact O-CG2 3.25Å; S104-V108 PolarHBondContact O-N 3.23Å; F106-V108 VanDerWaalsContact C-N 3.31Å; F106-V108 PolarHBondContact O-N 2.78Å; V108-R110 VanDerWaalsContact C-N 3.33Å; V108-R110 PolarHBondContact O-N 3.03Å; V108-W111 PolarHBondContact O-N 3.16Å; V108-Q112 WeakPolarHBondContact O-CB 3.31Å; V108-Q112 PolarHBondContact O-N 3.35Å
109	R	97.6	Very high	95.5	Very high	110 Å²	110	66.9 Å²	66.9	42%	0.415	34%	0.342	S	S	.	.	H	α-helix	trans	-64.5	-39.2	178.4	-78.3	-172.2	-74.1	-96.3	6	111.9	F5 P105 F106 E107 Q112 Q113	F5-R109 HydrophobicContact CD1-CG 3.95Å; F5-R109 HydrophobicContact CG-CG 4.3Å; F5-R109 VanDerWaalsContact CZ-NH1 3.34Å; P105-R109 WeakPolarHBondContact O-CB 3.47Å; P105-R109 WeakPolarHBondContact O-CG 3.49Å; P105-R109 PolarHBondContact O-N 3.42Å; P105-R109 VanDerWaalsContact O-N 3.14Å; P105-R109 PolarHBondContact O-NE 2.83Å; F106-R109 PolarHBondContact O-N 3.26Å; E107-R109 PolarHBondContact O-N 2.87Å; R109-Q112 PolarHBondContact O-N 3.4Å; R109-Q113 WeakPolarHBondContact O-CG 3.38Å; R109-Q113 PolarHBondContact O-N 3.45Å; R109-Q113 VanDerWaalsContact O-N 3.1Å
110	R	98	Very high	95.6	Very high	80 Å²	80	71.7 Å²	71.7	30%	0.302	36%	0.358	S	S	.	.	H	α-helix	trans	-59.6	-53.2	174.7	-179.9	176.9	69.1	168.7	4	110.7	F106 E107 V108 Q112 Q113 E114 E129	F106-R110 PolarHBondContact O-N 3.12Å; E107-R110 PolarHBondContact O-N 3.16Å; V108-R110 VanDerWaalsContact C-N 3.33Å; V108-R110 PolarHBondContact O-N 3.03Å; R110-Q112 VanDerWaalsContact C-N 3.32Å; R110-Q112 PolarHBondContact O-N 3.36Å; R110-Q113 PolarHBondContact O-N 3.03Å; R110-Q113 VanDerWaalsContact O-N 3.13Å; R110-E114 WeakPolarHBondContact CD-OE1 3.47Å; R110-E114 VanDerWaalsContact CG-CD 3.44Å; R110-E114 HydrophobicContact CG-CG 4.18Å; R110-E114 VanDerWaalsContact CG-OE1 3.23Å; R110-E114 WeakPolarHBondContact CG-OE1 3.47Å; R110-E114 WeakPolarHBondContact O-CB 3.39Å; R110-E114 VanDerWaalsContact O-CG 3.31Å; R110-E114 WeakPolarHBondContact O-CG 3.23Å; R110-E114 PolarHBondContact O-N 2.81Å; R110-E129 IonicContact CZ-OE1 3.62Å; R110-E129 IonicContact CZ-OE2 3.37Å; R110-E129 IonicContact NE-OE2 3.76Å; R110-E129 IonicContact NH1-OE1 3.86Å; R110-E129 IonicContact NH2-OE1 2.87Å; R110-E129 PolarHBondContact NH2-OE1 3.26Å; R110-E129 IonicContact NH2-OE2 2.6Å; R110-E129 PolarHBondContact NH2-OE2 2.86Å
111	W	98	Very high	95.8	Very high	9 Å²	9	75.7 Å²	75.7	3%	0.034	37%	0.372	C	S	.	.	H	α-helix	trans	-61.4	-39.5	179.2	-63.2	-32	0	0	0	113	I3 F69 L103 E107 V108 Q113 E114 L115 E129 I130 M133	I3-W111 HydrophobicContact CD1-CB 3.6Å; F69-W111 AromaticContact CE1-CE3 3.76Å; F69-W111 HydrophobicContact CE1-CE3 3.76Å; F69-W111 AromaticContact CE1-CZ3 3.96Å; F69-W111 HydrophobicContact CE1-CZ3 3.96Å; F69-W111 HydrophobicContact CZ-CE3 4.01Å; F69-W111 AromaticContact CZ-CZ3 3.97Å; F69-W111 HydrophobicContact CZ-CZ3 3.97Å; L103-W111 HydrophobicContact CD1-CE3 4.38Å; L103-W111 HydrophobicContact CD1-CH2 3.66Å; L103-W111 HydrophobicContact CD1-CZ3 3.36Å; E107-W111 HydrophobicContact CB-CD2 4.39Å; E107-W111 HydrophobicContact CB-CE3 4.35Å; E107-W111 HydrophobicContact CB-CH2 3.93Å; E107-W111 HydrophobicContact CB-CZ2 3.95Å; E107-W111 HydrophobicContact CB-CZ3 4.15Å; E107-W111 VanDerWaalsContact O-CD2 3.32Å; E107-W111 VanDerWaalsContact O-CG 3.27Å; E107-W111 PolarHBondContact O-N 2.88Å; V108-W111 PolarHBondContact O-N 3.16Å; W111-Q113 VanDerWaalsContact C-N 3.29Å; W111-Q113 PolarHBondContact O-N 2.72Å; W111-E114 PolarHBondContact O-N 2.93Å; W111-L115 WeakPolarHBondContact O-CB 3.34Å; W111-L115 VanDerWaalsContact O-CG 3.26Å; W111-L115 WeakPolarHBondContact O-CG 3.43Å; W111-L115 PolarHBondContact O-N 3.05Å; W111-E129 HydrophobicContact CZ2-CB 4.08Å; W111-E129 PolarHBondContact NE1-OE2 3.01Å; W111-I130 HydrophobicContact CB-CD1 4.35Å; W111-I130 HydrophobicContact CD2-CD1 4.35Å; W111-I130 HydrophobicContact CD2-CG1 3.78Å; W111-I130 HydrophobicContact CE3-CG1 3.85Å; W111-I130 HydrophobicContact CG-CD1 4.28Å; W111-I130 HydrophobicContact CG-CG1 4.17Å; W111-I130 HydrophobicContact CZ2-CG1 4.46Å; W111-I130 HydrophobicContact CZ3-CG1 4.21Å; W111-M133 HydrophobicContact CH2-CB 4Å; W111-M133 HydrophobicContact CH2-CG 4.1Å
112	Q	96.7	Very high	96.3	Very high	58 Å²	58	70.7 Å²	70.7	27%	0.271	35%	0.35	S	S	.	.	H	α-helix	trans	-59.2	-41.2	175.8	-175.4	180	40.6	0	0	111.7	I3 V108 R109 R110 N116	I3-Q112 HydrophobicContact CB-CB 4.48Å; I3-Q112 HydrophobicContact CG2-CB 4.34Å; I3-Q112 WeakPolarHBondContact O-CG 3.18Å; I3-Q112 PolarHBondContact O-NE2 2.77Å; V108-Q112 WeakPolarHBondContact O-CB 3.31Å; V108-Q112 PolarHBondContact O-N 3.35Å; R109-Q112 PolarHBondContact O-N 3.4Å; R110-Q112 VanDerWaalsContact C-N 3.32Å; R110-Q112 PolarHBondContact O-N 3.36Å; Q112-N116 PolarHBondContact O-ND2 3.49Å
113	Q	96.9	Very high	96.7	Very high	144 Å²	144	72.4 Å²	72.4	67%	0.673	36%	0.355	S	S	*	.	H	α-helix	trans	-70.9	-45.9	175.8	-69.3	174.1	-3.5	0	0	111.7	R109 R110 W111 L115 N116 S117	R109-Q113 WeakPolarHBondContact O-CG 3.38Å; R109-Q113 PolarHBondContact O-N 3.45Å; R109-Q113 VanDerWaalsContact O-N 3.1Å; R110-Q113 PolarHBondContact O-N 3.03Å; R110-Q113 VanDerWaalsContact O-N 3.13Å; W111-Q113 VanDerWaalsContact C-N 3.29Å; W111-Q113 PolarHBondContact O-N 2.72Å; Q113-L115 PolarHBondContact O-N 2.88Å; Q113-N116 PolarHBondContact O-N 3.25Å; Q113-N116 VanDerWaalsContact O-N 3.16Å; Q113-S117 PolarHBondContact O-N 3.38Å
114	E	97.8	Very high	96.9	Very high	37 Å²	37	76.3 Å²	76.3	17%	0.173	37%	0.373	C	S	.	.	H	α-helix	trans	-65.1	-37.7	-176.8	-73	173.8	166.5	0	0	112.9	R110 W111 N116 S117 I122 R123 A126	R110-E114 WeakPolarHBondContact CD-OE1 3.47Å; R110-E114 VanDerWaalsContact CG-CD 3.44Å; R110-E114 HydrophobicContact CG-CG 4.18Å; R110-E114 VanDerWaalsContact CG-OE1 3.23Å; R110-E114 WeakPolarHBondContact CG-OE1 3.47Å; R110-E114 WeakPolarHBondContact O-CB 3.39Å; R110-E114 VanDerWaalsContact O-CG 3.31Å; R110-E114 WeakPolarHBondContact O-CG 3.23Å; R110-E114 PolarHBondContact O-N 2.81Å; W111-E114 PolarHBondContact O-N 2.93Å; E114-N116 PolarHBondContact O-N 3.35Å; E114-S117 WeakPolarHBondContact O-CB 3.41Å; E114-S117 PolarHBondContact O-N 3.02Å; E114-I122 HydrophobicContact CB-CG2 3.67Å; E114-I122 HydrophobicContact CG-CG2 3.67Å; E114-R123 WeakPolarHBondContact O-CG 3.48Å; E114-A126 HydrophobicContact CB-CB 3.85Å
115	L	96.8	Very high	97	Very high	21 Å²	21	78.3 Å²	78.3	11%	0.11	38%	0.38	C	S	.	.	H	α-helix	trans	-65	-25.6	175.7	-74.4	175.5	0	0	0	113.1	M1 I3 W111 Q113 S117 R123 A126 I127 I130	M1-L115 HydrophobicContact CG-CD1 4.08Å; M1-L115 HydrophobicContact SD-CD1 4.07Å; M1-L115 HydrophobicContact SD-CD2 4.21Å; I3-L115 HydrophobicContact CB-CD1 4.36Å; I3-L115 HydrophobicContact CD1-CD1 3.39Å; I3-L115 HydrophobicContact CG1-CD1 3.59Å; W111-L115 WeakPolarHBondContact O-CB 3.34Å; W111-L115 VanDerWaalsContact O-CG 3.26Å; W111-L115 WeakPolarHBondContact O-CG 3.43Å; W111-L115 PolarHBondContact O-N 3.05Å; Q113-L115 PolarHBondContact O-N 2.88Å; L115-S117 VanDerWaalsContact C-N 3.33Å; L115-R123 WeakPolarHBondContact O-CD 3.32Å; L115-A126 HydrophobicContact CD2-CB 4.07Å; L115-A126 HydrophobicContact CG-CB 4.13Å; L115-I127 HydrophobicContact CD2-CG1 3.91Å; L115-I130 HydrophobicContact CD1-CD1 4.42Å
116	N	94.9	Very high	97.1	Very high	134 Å²	134	76.6 Å²	76.6	72%	0.717	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	2.8	174.7	-70.4	-57.2	0	0	0	112.9	Q112 Q113 E114	Q112-N116 PolarHBondContact O-ND2 3.49Å; Q113-N116 PolarHBondContact O-N 3.25Å; Q113-N116 VanDerWaalsContact O-N 3.16Å; E114-N116 PolarHBondContact O-N 3.35Å
117	S	95.9	Very high	97.1	Very high	24 Å²	24	71.5 Å²	71.5	17%	0.168	35%	0.347	C	S	.	.			trans	-67.9	139.4	179.4	-176.4	0	0	0	0	111.7	Q113 E114 L115 N119 R123	Q113-S117 PolarHBondContact O-N 3.38Å; E114-S117 WeakPolarHBondContact O-CB 3.41Å; E114-S117 PolarHBondContact O-N 3.02Å; L115-S117 VanDerWaalsContact C-N 3.33Å; S117-N119 PolarHBondContact O-N 3.11Å; S117-N119 PolarHBondContact OG-N 2.91Å; S117-R123 WeakPolarHBondContact O-CD 3.19Å; S117-R123 WeakPolarHBondContact O-CG 3.4Å; S117-R123 PolarHBondContact O-NH1 3.2Å
118	P	96.1	Very high	97.2	Very high	125 Å²	125	72.4 Å²	72.4	81%	0.812	35%	0.354	S	S	*	.	S	Bend	trans	-65.1	-22.7	170.9	27.8	-34.7	0	0	0	112.2	E120 R123	P118-E120 PolarHBondContact O-N 3.35Å; P118-R123 VanDerWaalsContact C-NH1 3.33Å; P118-R123 PolarHBondContact O-NH1 2.82Å
119	N	97.3	Very high	97.1	Very high	69 Å²	69	74.7 Å²	74.7	37%	0.369	37%	0.365	S	S	.	.			trans	-78.8	117.8	179.1	-175.5	-23.7	0	0	0	111.2	S117 Q121 I122 R123	S117-N119 PolarHBondContact O-N 3.11Å; S117-N119 PolarHBondContact OG-N 2.91Å; N119-Q121 VanDerWaalsContact C-N 3.31Å; N119-Q121 PolarHBondContact O-N 3Å; N119-Q121 WeakPolarHBondContact OD1-CB 3.29Å; N119-Q121 PolarHBondContact OD1-N 3.46Å; N119-I122 HydrophobicContact CB-CB 4.18Å; N119-I122 HydrophobicContact CB-CD1 3.89Å; N119-I122 HydrophobicContact CB-CG1 3.96Å; N119-I122 PolarHBondContact O-N 3.33Å; N119-R123 PolarHBondContact O-N 2.79Å; N119-R123 VanDerWaalsContact O-N 3.17Å
120	E	96.7	Very high	97.1	Very high	140 Å²	140	69.4 Å²	69.4	65%	0.654	35%	0.345	S	S	*	.	H	α-helix	trans	-63.3	-34.8	-178.3	-39.7	-154.5	120	0	0	113.4	P118 I122 R123 Q124	P118-E120 PolarHBondContact O-N 3.35Å; E120-I122 VanDerWaalsContact C-N 3.32Å; E120-I122 PolarHBondContact O-N 3Å; E120-R123 VanDerWaalsContact CG-NH2 3.28Å; E120-R123 PolarHBondContact O-N 3.42Å; E120-R123 IonicContact OE1-NH2 3.16Å; E120-R123 PolarHBondContact OE1-NH2 3.37Å; E120-R123 VanDerWaalsContact OE1-NH2 3.16Å; E120-Q124 WeakPolarHBondContact O-CB 3.31Å; E120-Q124 PolarHBondContact O-N 3.31Å
121	Q	97.9	Very high	97	Very high	154 Å²	154	65.8 Å²	65.8	72%	0.72	33%	0.332	S	S	*	.	H	α-helix	trans	-67.6	-35.2	178.6	-62.2	-179.7	-31.7	0	0	111.5	N119 Q124 L125	N119-Q121 VanDerWaalsContact C-N 3.31Å; N119-Q121 PolarHBondContact O-N 3Å; N119-Q121 WeakPolarHBondContact OD1-CB 3.29Å; N119-Q121 PolarHBondContact OD1-N 3.46Å; Q121-Q124 PolarHBondContact O-N 3.26Å; Q121-L125 WeakPolarHBondContact O-CB 3.35Å; Q121-L125 PolarHBondContact O-N 2.95Å
122	I	97.9	Very high	97	Very high	61 Å²	61	70.5 Å²	70.5	31%	0.313	36%	0.358	S	S	.	.	H	α-helix	trans	-68.6	-44	175.5	-65.5	-179	0	0	0	110.1	E114 N119 E120 Q124 L125 A126	E114-I122 HydrophobicContact CB-CG2 3.67Å; E114-I122 HydrophobicContact CG-CG2 3.67Å; N119-I122 HydrophobicContact CB-CB 4.18Å; N119-I122 HydrophobicContact CB-CD1 3.89Å; N119-I122 HydrophobicContact CB-CG1 3.96Å; N119-I122 PolarHBondContact O-N 3.33Å; E120-I122 VanDerWaalsContact C-N 3.32Å; E120-I122 PolarHBondContact O-N 3Å; I122-Q124 VanDerWaalsContact C-N 3.3Å; I122-Q124 PolarHBondContact O-N 2.99Å; I122-L125 PolarHBondContact O-N 3.21Å; I122-A126 PolarHBondContact O-N 3.13Å; I122-A126 VanDerWaalsContact O-N 3.13Å
123	R	97.7	Very high	96.9	Very high	71 Å²	71	68.4 Å²	68.4	27%	0.268	35%	0.348	S	S	.	.	H	α-helix	trans	-59.9	-42.8	174.5	-63.5	-165.7	-56.9	-86.3	3.5	111.5	E114 L115 S117 P118 N119 E120 A126 I127	E114-R123 WeakPolarHBondContact O-CG 3.48Å; L115-R123 WeakPolarHBondContact O-CD 3.32Å; S117-R123 WeakPolarHBondContact O-CD 3.19Å; S117-R123 WeakPolarHBondContact O-CG 3.4Å; S117-R123 PolarHBondContact O-NH1 3.2Å; P118-R123 VanDerWaalsContact C-NH1 3.33Å; P118-R123 PolarHBondContact O-NH1 2.82Å; N119-R123 PolarHBondContact O-N 2.79Å; N119-R123 VanDerWaalsContact O-N 3.17Å; E120-R123 VanDerWaalsContact CG-NH2 3.28Å; E120-R123 PolarHBondContact O-N 3.42Å; E120-R123 IonicContact OE1-NH2 3.16Å; E120-R123 PolarHBondContact OE1-NH2 3.37Å; E120-R123 VanDerWaalsContact OE1-NH2 3.16Å; R123-A126 PolarHBondContact O-N 3.09Å; R123-I127 WeakPolarHBondContact O-CG1 3.34Å; R123-I127 PolarHBondContact O-N 2.85Å; R123-I127 VanDerWaalsContact O-N 3.09Å
124	Q	96.6	Very high	96.9	Very high	93 Å²	93	61.6 Å²	61.6	44%	0.435	32%	0.316	S	S	.	.	H	α-helix	trans	-64.6	-41.4	178.3	-172.4	59	50.4	0	0	112	E120 Q121 I122 A126 I127 D128	E120-Q124 WeakPolarHBondContact O-CB 3.31Å; E120-Q124 PolarHBondContact O-N 3.31Å; Q121-Q124 PolarHBondContact O-N 3.26Å; I122-Q124 VanDerWaalsContact C-N 3.3Å; I122-Q124 PolarHBondContact O-N 2.99Å; Q124-A126 VanDerWaalsContact C-N 3.33Å; Q124-A126 PolarHBondContact O-N 3.13Å; Q124-I127 WeakPolarHBondContact O-CB 3.17Å; Q124-I127 PolarHBondContact O-N 2.93Å; Q124-I127 VanDerWaalsContact O-N 3.16Å; Q124-D128 PolarHBondContact NE2-OD1 2.8Å; Q124-D128 VanDerWaalsContact O-CG 3.27Å; Q124-D128 PolarHBondContact O-N 2.84Å
125	L	97.9	Very high	96.8	Very high	86 Å²	86	63.9 Å²	63.9	45%	0.45	33%	0.326	S	S	.	.	H	α-helix	trans	-57	-46.2	175.2	178.8	63.5	0	0	0	111.6	Q121 I122 I127 D128 E129	Q121-L125 WeakPolarHBondContact O-CB 3.35Å; Q121-L125 PolarHBondContact O-N 2.95Å; I122-L125 PolarHBondContact O-N 3.21Å; L125-I127 PolarHBondContact O-N 3.26Å; L125-D128 PolarHBondContact O-N 2.8Å; L125-E129 HydrophobicContact CD1-CG 4.43Å; L125-E129 WeakPolarHBondContact O-CG 3.4Å; L125-E129 PolarHBondContact O-N 3.41Å
126	A	97.9	Very high	96.7	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-60.9	-43.9	176.3	0	0	0	0	0	111.8	E114 L115 I122 R123 Q124 D128 E129 I130	E114-A126 HydrophobicContact CB-CB 3.85Å; L115-A126 HydrophobicContact CD2-CB 4.07Å; L115-A126 HydrophobicContact CG-CB 4.13Å; I122-A126 PolarHBondContact O-N 3.13Å; I122-A126 VanDerWaalsContact O-N 3.13Å; R123-A126 PolarHBondContact O-N 3.09Å; Q124-A126 VanDerWaalsContact C-N 3.33Å; Q124-A126 PolarHBondContact O-N 3.13Å; A126-D128 VanDerWaalsContact C-N 3.32Å; A126-D128 PolarHBondContact O-N 3.38Å; A126-E129 PolarHBondContact O-N 3.16Å; A126-I130 VanDerWaalsContact O-CD1 3.23Å; A126-I130 WeakPolarHBondContact O-CD1 3.27Å; A126-I130 WeakPolarHBondContact O-CG1 3.48Å; A126-I130 PolarHBondContact O-N 2.93Å
127	I	97.4	Very high	96.7	Very high	25 Å²	25	64.2 Å²	64.2	13%	0.128	32%	0.315	C	S	.	.	H	α-helix	trans	-59.4	-42.9	176.1	-69.1	167.4	0	0	0	111.2	M1 L75 W79 L115 R123 Q124 L125 I130 G131	M1-I127 HydrophobicContact CE-CB 4.42Å; M1-I127 HydrophobicContact CE-CG1 4Å; M1-I127 HydrophobicContact CE-CG2 4.16Å; M1-I127 HydrophobicContact SD-CG1 4.11Å; L75-I127 HydrophobicContact CD1-CG2 4.02Å; W79-I127 HydrophobicContact CZ2-CG2 4.24Å; L115-I127 HydrophobicContact CD2-CG1 3.91Å; R123-I127 WeakPolarHBondContact O-CG1 3.34Å; R123-I127 PolarHBondContact O-N 2.85Å; R123-I127 VanDerWaalsContact O-N 3.09Å; Q124-I127 WeakPolarHBondContact O-CB 3.17Å; Q124-I127 PolarHBondContact O-N 2.93Å; Q124-I127 VanDerWaalsContact O-N 3.16Å; L125-I127 PolarHBondContact O-N 3.26Å; I127-I130 PolarHBondContact O-N 3.34Å; I127-G131 PolarHBondContact O-N 3.05Å
128	D	97.2	Very high	96.6	Very high	79 Å²	79	63.9 Å²	63.9	42%	0.422	31%	0.313	S	S	.	.	H	α-helix	trans	-67.1	-44.2	180	-68.5	-16.4	0	0	0	111.3	Q124 L125 A126 I130 G131 L132	Q124-D128 PolarHBondContact NE2-OD1 2.8Å; Q124-D128 VanDerWaalsContact O-CG 3.27Å; Q124-D128 PolarHBondContact O-N 2.84Å; L125-D128 PolarHBondContact O-N 2.8Å; A126-D128 VanDerWaalsContact C-N 3.32Å; A126-D128 PolarHBondContact O-N 3.38Å; D128-I130 VanDerWaalsContact C-N 3.34Å; D128-I130 PolarHBondContact O-N 3.25Å; D128-G131 PolarHBondContact O-N 3.36Å; D128-L132 WeakPolarHBondContact O-CG 3.45Å; D128-L132 PolarHBondContact O-N 3.41Å
129	E	97.3	Very high	96.5	Very high	48 Å²	48	64.5 Å²	64.5	22%	0.224	31%	0.309	C	S	.	.	H	α-helix	trans	-62.5	-39.2	176.2	-74.3	-168.6	152.8	0	0	112.4	R110 W111 L125 A126 L132 M133	R110-E129 IonicContact CZ-OE1 3.62Å; R110-E129 IonicContact CZ-OE2 3.37Å; R110-E129 IonicContact NE-OE2 3.76Å; R110-E129 IonicContact NH1-OE1 3.86Å; R110-E129 IonicContact NH2-OE1 2.87Å; R110-E129 PolarHBondContact NH2-OE1 3.26Å; R110-E129 IonicContact NH2-OE2 2.6Å; R110-E129 PolarHBondContact NH2-OE2 2.86Å; W111-E129 HydrophobicContact CZ2-CB 4.08Å; W111-E129 PolarHBondContact NE1-OE2 3.01Å; L125-E129 HydrophobicContact CD1-CG 4.43Å; L125-E129 WeakPolarHBondContact O-CG 3.4Å; L125-E129 PolarHBondContact O-N 3.41Å; A126-E129 PolarHBondContact O-N 3.16Å; E129-L132 CarbonylContact O-C 3.59Å; E129-L132 WeakPolarHBondContact O-CB 3.48Å; E129-L132 PolarHBondContact O-N 3.26Å; E129-M133 PolarHBondContact O-N 2.83Å
130	I	97	Very high	96.3	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.2	-41.1	174.6	-67.1	157.9	0	0	0	110.7	M1 I3 F69 L71 W79 W111 L115 A126 I127 D128 L132 M133 L134	M1-I130 HydrophobicContact SD-CD1 3.41Å; M1-I130 WeakPolarHBondContact SD-CD1 3.34Å; M1-I130 HydrophobicContact SD-CG2 4.49Å; I3-I130 HydrophobicContact CD1-CD1 3.58Å; I3-I130 HydrophobicContact CD1-CG1 4.49Å; F69-I130 HydrophobicContact CE1-CG1 4.41Å; L71-I130 HydrophobicContact CD2-CG2 4.02Å; W79-I130 HydrophobicContact CH2-CG2 3.94Å; W79-I130 HydrophobicContact CZ2-CG2 4.43Å; W111-I130 HydrophobicContact CB-CD1 4.35Å; W111-I130 HydrophobicContact CD2-CD1 4.35Å; W111-I130 HydrophobicContact CD2-CG1 3.78Å; W111-I130 HydrophobicContact CE3-CG1 3.85Å; W111-I130 HydrophobicContact CG-CD1 4.28Å; W111-I130 HydrophobicContact CG-CG1 4.17Å; W111-I130 HydrophobicContact CZ2-CG1 4.46Å; W111-I130 HydrophobicContact CZ3-CG1 4.21Å; L115-I130 HydrophobicContact CD1-CD1 4.42Å; A126-I130 VanDerWaalsContact O-CD1 3.23Å; A126-I130 WeakPolarHBondContact O-CD1 3.27Å; A126-I130 WeakPolarHBondContact O-CG1 3.48Å; A126-I130 PolarHBondContact O-N 2.93Å; I127-I130 PolarHBondContact O-N 3.34Å; D128-I130 VanDerWaalsContact C-N 3.34Å; D128-I130 PolarHBondContact O-N 3.25Å; I130-L132 VanDerWaalsContact C-N 3.31Å; I130-L132 PolarHBondContact O-N 3.28Å; I130-M133 HydrophobicContact CG2-CE 4.28Å; I130-M133 WeakPolarHBondContact O-CB 3.11Å; I130-M133 PolarHBondContact O-N 2.81Å; I130-L134 PolarHBondContact O-N 3.24Å
131	G	96.5	Very high	96.1	Very high	4 Å²	4	58.2 Å²	58.2	4%	0.041	29%	0.289	C	S	.	.	H	α-helix	trans	-60.2	-40.3	172.5	0	0	0	0	0	112.4	I127 D128 L134 K135	I127-G131 PolarHBondContact O-N 3.05Å; D128-G131 PolarHBondContact O-N 3.36Å; G131-L134 PolarHBondContact O-N 3.14Å; G131-K135 WeakPolarHBondContact O-CB 3.28Å; G131-K135 PolarHBondContact O-N 3.02Å
132	L	96.1	Very high	96	Very high	107 Å²	107	53.2 Å²	53.2	56%	0.56	26%	0.264	S	S	*	.	H	α-helix	trans	-68.2	-36.4	174.5	-69	174.2	0	0	0	112.6	D128 E129 I130 K135 R136	D128-L132 WeakPolarHBondContact O-CG 3.45Å; D128-L132 PolarHBondContact O-N 3.41Å; E129-L132 CarbonylContact O-C 3.59Å; E129-L132 WeakPolarHBondContact O-CB 3.48Å; E129-L132 PolarHBondContact O-N 3.26Å; I130-L132 VanDerWaalsContact C-N 3.31Å; I130-L132 PolarHBondContact O-N 3.28Å; L132-K135 WeakPolarHBondContact O-CB 3.34Å; L132-K135 PolarHBondContact O-N 3.27Å; L132-R136 PolarHBondContact O-N 2.83Å
133	M	95.9	Very high	95.9	Very high	14 Å²	14	54.6 Å²	54.6	7%	0.069	27%	0.269	C	S	.	.	H	α-helix	trans	-60.7	-47.2	172.9	176.5	-79	-68.8	0	0	110.5	I46 W111 E129 I130 K135 R136 F137	I46-M133 HydrophobicContact CD1-SD 3.76Å; W111-M133 HydrophobicContact CH2-CB 4Å; W111-M133 HydrophobicContact CH2-CG 4.1Å; E129-M133 PolarHBondContact O-N 2.83Å; I130-M133 HydrophobicContact CG2-CE 4.28Å; I130-M133 WeakPolarHBondContact O-CB 3.11Å; I130-M133 PolarHBondContact O-N 2.81Å; M133-K135 VanDerWaalsContact C-N 3.32Å; M133-K135 PolarHBondContact O-N 2.96Å; M133-R136 WeakPolarHBondContact O-CB 3.48Å; M133-R136 PolarHBondContact O-N 3.43Å; M133-R136 VanDerWaalsContact O-N 3.16Å; M133-F137 PolarHBondContact O-N 3.19Å
134	L	96.2	Very high	95.8	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-67.7	-31.8	176.2	-72.7	-177.2	0	0	0	113.2	L48 L71 F76 W79 L81 I130 G131 R136 F137 S138	L48-L134 HydrophobicContact CD2-CD2 4.13Å; L71-L134 HydrophobicContact CD1-CD1 3.63Å; F76-L134 HydrophobicContact CD2-CD1 4.2Å; F76-L134 HydrophobicContact CE2-CD1 4.43Å; W79-L134 HydrophobicContact CE3-CD1 3.74Å; W79-L134 HydrophobicContact CH2-CD1 4.35Å; W79-L134 HydrophobicContact CZ3-CD1 3.4Å; L81-L134 HydrophobicContact CD1-CB 4.4Å; L81-L134 HydrophobicContact CD2-CB 3.85Å; I130-L134 PolarHBondContact O-N 3.24Å; G131-L134 PolarHBondContact O-N 3.14Å; L134-R136 VanDerWaalsContact C-N 3.35Å; L134-F137 WeakPolarHBondContact O-CB 3.16Å; L134-F137 PolarHBondContact O-N 3.03Å; L134-S138 WeakPolarHBondContact O-CB 3.44Å; L134-S138 PolarHBondContact O-N 2.75Å
135	K	95.4	Very high	95.7	Very high	86 Å²	86	52.1 Å²	52.1	37%	0.374	27%	0.266	S	S	.	.	H	α-helix	trans	-63.9	-42.1	171.4	-171.2	-178.7	-173.4	178.8	0	111.2	P80 L81 G131 L132 M133 S138 L139	P80-K135 HydrophobicContact CG-CD 4.21Å; L81-K135 HydrophobicContact CD2-CB 4.27Å; G131-K135 WeakPolarHBondContact O-CB 3.28Å; G131-K135 PolarHBondContact O-N 3.02Å; L132-K135 WeakPolarHBondContact O-CB 3.34Å; L132-K135 PolarHBondContact O-N 3.27Å; M133-K135 VanDerWaalsContact C-N 3.32Å; M133-K135 PolarHBondContact O-N 2.96Å; K135-S138 WeakPolarHBondContact O-CB 3.47Å; K135-S138 PolarHBondContact O-N 3.37Å; K135-L139 HydrophobicContact CG-CD1 4.4Å; K135-L139 WeakPolarHBondContact O-CG 3.44Å; K135-L139 PolarHBondContact O-N 3.31Å; K135-L139 VanDerWaalsContact O-N 3.14Å
136	R	94.8	Very high	95.4	Very high	161 Å²	161	49.2 Å²	49.2	61%	0.608	25%	0.251	S	S	*	.	H	α-helix	trans	-61.9	-48.5	174.2	-174.3	-176.7	-57.8	-77.6	-0.5	110.9	L132 M133 L134 S138 L139 S140	L132-R136 PolarHBondContact O-N 2.83Å; M133-R136 WeakPolarHBondContact O-CB 3.48Å; M133-R136 PolarHBondContact O-N 3.43Å; M133-R136 VanDerWaalsContact O-N 3.16Å; L134-R136 VanDerWaalsContact C-N 3.35Å; R136-S138 VanDerWaalsContact C-N 3.26Å; R136-S138 PolarHBondContact O-N 2.81Å; R136-L139 PolarHBondContact O-N 2.94Å; R136-S140 PolarHBondContact O-N 2.84Å; R136-S140 PolarHBondContact O-OG 2.89Å
137	F	95	Very high	94.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-49.8	-48.3	172.1	164.4	-84.8	0	0	0	111.6	I46 L48 L85 I95 M133 L134 L139 S140 G141 W142	I46-F137 HydrophobicContact CB-CD2 3.84Å; I46-F137 HydrophobicContact CB-CE2 4.04Å; I46-F137 HydrophobicContact CD1-CD2 4.25Å; I46-F137 HydrophobicContact CG2-CD2 3.88Å; I46-F137 HydrophobicContact CG2-CE2 4.04Å; L48-F137 HydrophobicContact CD2-CD1 4.08Å; L48-F137 HydrophobicContact CD2-CE1 3.56Å; L48-F137 HydrophobicContact CD2-CE2 4.07Å; L48-F137 HydrophobicContact CD2-CZ 3.56Å; L48-F137 HydrophobicContact CG-CZ 4.35Å; L85-F137 HydrophobicContact CD1-CE1 3.84Å; L85-F137 HydrophobicContact CD2-CD1 4.07Å; L85-F137 HydrophobicContact CD2-CE1 4.04Å; I95-F137 HydrophobicContact CD1-CE1 3.84Å; I95-F137 HydrophobicContact CD1-CZ 3.78Å; I95-F137 HydrophobicContact CG1-CZ 4.1Å; M133-F137 PolarHBondContact O-N 3.19Å; L134-F137 WeakPolarHBondContact O-CB 3.16Å; L134-F137 PolarHBondContact O-N 3.03Å; F137-L139 PolarHBondContact O-N 2.83Å; F137-S140 PolarHBondContact O-N 2.87Å; F137-G141 PolarHBondContact O-N 2.93Å; F137-W142 HydrophobicContact CE1-CB 3.89Å; F137-W142 HydrophobicContact CE1-CG 4.07Å; F137-W142 HydrophobicContact CE2-CB 4.31Å; F137-W142 HydrophobicContact CZ-CB 3.56Å; F137-W142 HydrophobicContact CZ-CG 4.22Å
138	S	93.9	Very high	93.8	Very high	17 Å²	17	53.8 Å²	53.8	12%	0.119	28%	0.278	C	S	.	.	H	α-helix	trans	-61.3	-31.2	-179.9	-173.1	0	0	0	0	113	D82 L134 K135 R136	D82-S138 WeakPolarHBondContact CB-OG 3.44Å; D82-S138 PolarHBondContact N-OG 3.45Å; L134-S138 WeakPolarHBondContact O-CB 3.44Å; L134-S138 PolarHBondContact O-N 2.75Å; K135-S138 WeakPolarHBondContact O-CB 3.47Å; K135-S138 PolarHBondContact O-N 3.37Å; R136-S138 VanDerWaalsContact C-N 3.26Å; R136-S138 PolarHBondContact O-N 2.81Å
139	L	93.9	Very high	92.3	Very high	138 Å²	138	58.3 Å²	58.3	72%	0.723	29%	0.294	S	S	*	.	H	α-helix	trans	-88.8	-29.4	-179	-67.9	170.6	0	0	0	112.9	K135 R136 F137 G141	K135-L139 HydrophobicContact CG-CD1 4.4Å; K135-L139 WeakPolarHBondContact O-CG 3.44Å; K135-L139 PolarHBondContact O-N 3.31Å; K135-L139 VanDerWaalsContact O-N 3.14Å; R136-L139 PolarHBondContact O-N 2.94Å; F137-L139 PolarHBondContact O-N 2.83Å; L139-G141 PolarHBondContact O-N 3.05Å
140	S	93.3	Very high	90.6	Very high	56 Å²	56	61.8 Å²	61.8	39%	0.392	32%	0.319	S	S	.	.	H	α-helix	trans	-76.6	-4.3	177.5	-66.9	0	0	0	0	113.6	R136 F137	R136-S140 PolarHBondContact O-N 2.84Å; R136-S140 PolarHBondContact O-OG 2.89Å; F137-S140 PolarHBondContact O-N 2.87Å
141	G	93.7	Very high	88.6	Confident	21 Å²	21	63 Å²	63	22%	0.216	33%	0.328	C	S	.	.			trans	87	147.7	178.9	0	0	0	0	0	113.1	L98 F137 L139	L98-G141 PolarHBondContact N-O 3.16Å; F137-G141 PolarHBondContact O-N 2.93Å; L139-G141 PolarHBondContact O-N 3.05Å
142	W	95.6	Very high	86.4	Confident	50 Å²	50	72.3 Å²	72.3	19%	0.189	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	160.1	-177.3	54	-92.9	0	0	0	109.6	D84 L85 H88 I95 K96 F137	D84-W142 HydrophobicContact CB-CH2 4.21Å; D84-W142 HydrophobicContact CB-CZ2 4Å; L85-W142 HydrophobicContact CB-CZ2 4.03Å; H88-W142 HydrophobicContact CB-CH2 4.36Å; H88-W142 HydrophobicContact CB-CZ3 4.37Å; H88-W142 AromaticContact CE1-CH2 3.85Å; H88-W142 AromaticContact CG-CH2 3.81Å; H88-W142 AromaticContact ND1-CH2 3.64Å; I95-W142 HydrophobicContact CB-CE3 4.21Å; I95-W142 HydrophobicContact CD1-CD2 4.27Å; I95-W142 HydrophobicContact CD1-CE3 4.23Å; I95-W142 HydrophobicContact CD1-CG 4.42Å; I95-W142 HydrophobicContact CG2-CE3 4.08Å; I95-W142 HydrophobicContact CG2-CZ3 4.24Å; K96-W142 CarbonylContact O-C 3.58Å; K96-W142 WeakPolarHBondContact O-CA 3.36Å; K96-W142 WeakPolarHBondContact O-CB 3.29Å; F137-W142 HydrophobicContact CE1-CB 3.89Å; F137-W142 HydrophobicContact CE1-CG 4.07Å; F137-W142 HydrophobicContact CE2-CB 4.31Å; F137-W142 HydrophobicContact CZ-CB 3.56Å; F137-W142 HydrophobicContact CZ-CG 4.22Å
143	E	95.2	Very high	84.3	Confident	89 Å²	89	70.7 Å²	70.7	42%	0.416	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	147.6	175.8	64.7	-177.7	177.1	0	0	111.2	I95 K96 L98 I145	I95-E143 CarbonylContact C-O 2.92Å; I95-E143 VanDerWaalsContact CA-O 3.28Å; I95-E143 WeakPolarHBondContact CA-O 3.39Å; K96-E143 PolarHBondContact N-O 3.23Å; K96-E143 PolarHBondContact O-N 2.95Å; L98-E143 HydrophobicContact CD2-CB 4.12Å; L98-E143 HydrophobicContact CD2-CG 3.89Å; E143-I145 HydrophobicContact CG-CG2 4.48Å
144	P	94.5	Very high	82.1	Confident	56 Å²	56	75.3 Å²	75.3	36%	0.364	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	126.7	171.5	30.6	-32.4	0	0	0	110.5	M93 V94 I95 V147	M93-P144 HydrophobicContact SD-CB 4.41Å; V94-P144 CarbonylContact O-C 3.46Å; V94-P144 WeakPolarHBondContact O-CA 3.36Å; I95-P144 HydrophobicContact CG2-CB 4.49Å; P144-V147 HydrophobicContact CB-CG2 4.07Å; P144-V147 HydrophobicContact CG-CG2 4.4Å
145	I	94.9	Very high	80	Confident	57 Å²	57	85.1 Å²	85.1	29%	0.292	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-18.7	173.5	63	173.8	0	0	0	112.4	V39 T47 V94 K96 E143	V39-I145 HydrophobicContact CG1-CD1 3.34Å; V39-I145 HydrophobicContact CG1-CG1 3.95Å; T47-I145 HydrophobicContact CG2-CD1 4.01Å; V94-I145 HydrophobicContact CB-CG1 3.94Å; V94-I145 HydrophobicContact CG1-CD1 3.79Å; V94-I145 HydrophobicContact CG1-CG1 3.69Å; V94-I145 PolarHBondContact O-N 3.48Å; K96-I145 HydrophobicContact CB-CD1 4.23Å; K96-I145 HydrophobicContact CB-CG2 3.69Å; K96-I145 HydrophobicContact CD-CG2 4.07Å; E143-I145 HydrophobicContact CG-CG2 4.48Å
146	L	92.2	Very high	78.3	Confident	25 Å²	25	87.2 Å²	87.2	13%	0.131	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	123	167.8	-177.1	64.9	0	0	0	109.4	I34 E37 V39 M93 V94	I34-L146 HydrophobicContact CB-CD2 4.04Å; I34-L146 HydrophobicContact CG2-CD2 4.03Å; E37-L146 HydrophobicContact CB-CD1 3.61Å; E37-L146 HydrophobicContact CB-CD2 4.14Å; E37-L146 HydrophobicContact CG-CD1 3.9Å; V39-L146 HydrophobicContact CG2-CB 4.14Å; V39-L146 HydrophobicContact CG2-CD2 3.97Å; V39-L146 HydrophobicContact CG2-CG 4.5Å; M93-L146 VanDerWaalsContact CA-O 3.25Å; M93-L146 WeakPolarHBondContact CA-O 3.33Å; M93-L146 WeakPolarHBondContact CB-O 3.25Å; V94-L146 HydrophobicContact CB-CB 3.75Å; V94-L146 HydrophobicContact CG2-CB 3.7Å; V94-L146 HydrophobicContact CG2-CD2 3.83Å; V94-L146 HydrophobicContact CG2-CG 4.33Å; V94-L146 PolarHBondContact N-O 3.44Å; V94-L146 PolarHBondContact O-N 3.07Å
147	V	86.2	Confident	77	Confident	81 Å²	81	82.1 Å²	82.1	49%	0.491	42%	0.424	S	S	.	.			trans	-103	135.4	176.9	-177.9	0	0	0	0	109.3	M93 P144 K149	M93-V147 HydrophobicContact CE-CG1 4.01Å; M93-V147 HydrophobicContact SD-CG1 4.12Å; M93-V147 HydrophobicContact SD-CG2 4.34Å; P144-V147 HydrophobicContact CB-CG2 4.07Å; P144-V147 HydrophobicContact CG-CG2 4.4Å; V147-K149 PolarHBondContact O-N 2.99Å
148	N	74.5	Confident	75.9	Confident	39 Å²	39	82.6 Å²	82.6	21%	0.209	43%	0.427	C	S	.	.			trans	-71.1	112.7	175.4	-174	-4.3	0	0	0	110.8	H91 T150 S151	H91-N148 WeakPolarHBondContact O-CB 3.33Å; H91-N148 PolarHBondContact O-ND2 3.23Å; H91-N148 VanDerWaalsContact O-ND2 3.09Å; N148-T150 PolarHBondContact O-N 3.4Å; N148-T150 PolarHBondContact OD1-N 2.94Å; N148-T150 VanDerWaalsContact OD1-N 3.12Å; N148-T150 PolarHBondContact OD1-OG1 3.17Å; N148-S151 PolarHBondContact O-N 2.94Å; N148-S151 VanDerWaalsContact O-N 3.11Å
149	K	66.2	Low	75.5	Confident	174 Å²	174	84.5 Å²	84.5	76%	0.757	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.3	179.6	-68.2	173.4	178.5	164.3	0	113.3	E37 V147	E37-K149 IonicContact OE1-NZ 2.66Å; E37-K149 PolarHBondContact OE1-NZ 3.48Å; V147-K149 PolarHBondContact O-N 2.99Å
150	T	61.9	Low	75.1	Confident	122 Å²	122	86.9 Å²	86.9	75%	0.748	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-13.7	-179.3	62.3	0	0	0	0	113.3	N148 R152	N148-T150 PolarHBondContact O-N 3.4Å; N148-T150 PolarHBondContact OD1-N 2.94Å; N148-T150 VanDerWaalsContact OD1-N 3.12Å; N148-T150 PolarHBondContact OD1-OG1 3.17Å; T150-R152 PolarHBondContact O-N 2.99Å
151	S	54.5	Low	75	Confident	25 Å²	25	89 Å²	89	18%	0.175	44%	0.443	C	S	.	.			trans	-75.6	97.2	177	-166.7	0	0	0	0	107.6	N148 T153	N148-S151 PolarHBondContact O-N 2.94Å; N148-S151 VanDerWaalsContact O-N 3.11Å; S151-T153 PolarHBondContact O-N 3.33Å
152	R	51.4	Low	74.8	Confident	200 Å²	200	88.1 Å²	88.1	76%	0.755	43%	0.434	S	S	*	.			trans	-52.1	101.3	141.4	-83.5	178	149	173.7	-5.4	103.7	T150 H154	T150-R152 PolarHBondContact O-N 2.99Å; R152-H154 PolarHBondContact O-CD2 2.97Å; R152-H154 PolarHBondContact O-N 3.45Å
153	T	50.7	Low	74.5	Confident	73 Å²	73	86.6 Å²	86.6	45%	0.448	43%	0.429	S	S	.	.			trans	-60.7	81.1	162.2	43	0	0	0	0	105	M93 S151 K155	M93-T153 HydrophobicContact CE-CG2 3.38Å; S151-T153 PolarHBondContact O-N 3.33Å; T153-K155 PolarHBondContact O-N 3.35Å
154	H	51	Low	74.4	Confident	111 Å²	111	87.8 Å²	87.8	51%	0.514	43%	0.433	S	S	.	.			trans	-57	115.5	171.3	-84.2	-82.2	0	0	0	103.3	R152 N156	R152-H154 PolarHBondContact O-CD2 2.97Å; R152-H154 PolarHBondContact O-N 3.45Å; H154-N156 CarbonylContact O-C 3.59Å; H154-N156 PolarHBondContact O-N 3.46Å
155	K	52.2	Low	74.4	Confident	207 Å²	207	87.7 Å²	87.7	90%	0.9	43%	0.426	S	S	*	.	S	Bend	trans	-53.6	-5.2	176	-77.2	-174.7	173.3	-177.1	0	113.4	T153 S157	T153-K155 PolarHBondContact O-N 3.35Å; K155-S157 PolarHBondContact O-N 3.41Å
156	N	58.8	Low	74.5	Confident	129 Å²	129	85 Å²	85	69%	0.69	41%	0.412	S	S	*	.			trans	-71.9	79.4	167.9	-64.2	-5	0	0	0	108.9	H154 V158	H154-N156 CarbonylContact O-C 3.59Å; H154-N156 PolarHBondContact O-N 3.46Å; N156-V158 PolarHBondContact O-N 3.21Å
157	S	66.8	Low	74.5	Confident	55 Å²	55	84.1 Å²	84.1	39%	0.385	41%	0.408	S	S	.	.			trans	-45.5	140.2	165.9	55.9	0	0	0	0	109.9	K155 S159	K155-S157 PolarHBondContact O-N 3.41Å; S157-S159 PolarHBondContact O-N 3.04Å
158	V	73.3	Confident	75	Confident	10 Å²	10	84.3 Å²	84.3	6%	0.061	40%	0.403	C	S	.	.			trans	-55.9	119.2	175.4	175.3	0	0	0	0	108.6	N156 A162 Q163 V204	N156-V158 PolarHBondContact O-N 3.21Å; V158-A162 HydrophobicContact CG1-CB 4.31Å; V158-Q163 HydrophobicContact CG1-CB 3.87Å; V158-V204 HydrophobicContact CB-CG2 4.46Å; V158-V204 HydrophobicContact CG1-CB 4.45Å; V158-V204 HydrophobicContact CG1-CG1 4.22Å; V158-V204 HydrophobicContact CG1-CG2 3.5Å; V158-V204 HydrophobicContact CG2-CG1 4.39Å; V158-V204 HydrophobicContact CG2-CG2 4.1Å
159	S	85	Confident	76.1	Confident	57 Å²	57	82.4 Å²	82.4	40%	0.399	39%	0.394	S	S	.	.			trans	-62.6	143.7	175.4	74.2	0	0	0	0	109.9	S157 H161 A162 Q163	S157-S159 PolarHBondContact O-N 3.04Å; S159-H161 PolarHBondContact O-N 2.75Å; S159-H161 VanDerWaalsContact O-N 3.13Å; S159-A162 PolarHBondContact O-N 2.81Å; S159-A162 VanDerWaalsContact OG-CB 3.27Å; S159-A162 WeakPolarHBondContact OG-CB 3.43Å; S159-A162 PolarHBondContact OG-N 3.23Å; S159-Q163 PolarHBondContact O-N 3.16Å
160	R	85.6	Confident	77.5	Confident	188 Å²	188	74.1 Å²	74.1	71%	0.709	36%	0.358	S	S	*	.	H	α-helix	trans	-53.3	-35.6	174.9	-82.4	-172.3	-83.4	-161.7	-5.9	112.2	F164	R160-F164 VanDerWaalsContact O-CB 3.31Å; R160-F164 WeakPolarHBondContact O-CB 3.44Å; R160-F164 PolarHBondContact O-N 3.27Å
161	H	90	Very high	79	Confident	100 Å²	100	68.9 Å²	68.9	46%	0.463	33%	0.328	S	S	.	.	H	α-helix	trans	-63	-52	175.7	-176.5	94.9	0	0	0	111.6	S159 Q163 F164 Y165	S159-H161 PolarHBondContact O-N 2.75Å; S159-H161 VanDerWaalsContact O-N 3.13Å; H161-Q163 VanDerWaalsContact C-N 3.34Å; H161-Q163 PolarHBondContact O-N 2.96Å; H161-F164 PolarHBondContact O-N 3.24Å; H161-Y165 AromaticContact CD2-CD2 3.82Å; H161-Y165 AromaticContact CD2-CE2 3.86Å; H161-Y165 AromaticContact CE1-CE2 3.3Å; H161-Y165 WeakPolarHBondContact CE1-CE2 3.43Å; H161-Y165 AromaticContact ND1-CE2 3.71Å; H161-Y165 AromaticContact NE2-CD2 3.72Å; H161-Y165 AromaticContact NE2-CE2 3.34Å; H161-Y165 VanDerWaalsContact NE2-CE2 3.34Å; H161-Y165 WeakPolarHBondContact NE2-CE2 3.35Å; H161-Y165 VanDerWaalsContact O-CD2 3.24Å; H161-Y165 WeakPolarHBondContact O-CD2 3.43Å; H161-Y165 PolarHBondContact O-N 3.22Å; H161-Y165 VanDerWaalsContact O-N 3.12Å
162	A	91.1	Very high	81	Confident	3 Å²	3	69.3 Å²	69.3	3%	0.025	33%	0.326	C	S	.	.	H	α-helix	trans	-60.5	-43.5	176.7	0	0	0	0	0	111.9	V158 S159 F164 Y165 V166 I200 V204	V158-A162 HydrophobicContact CG1-CB 4.31Å; S159-A162 PolarHBondContact O-N 2.81Å; S159-A162 VanDerWaalsContact OG-CB 3.27Å; S159-A162 WeakPolarHBondContact OG-CB 3.43Å; S159-A162 PolarHBondContact OG-N 3.23Å; A162-F164 PolarHBondContact O-N 2.95Å; A162-Y165 PolarHBondContact O-N 3.44Å; A162-V166 WeakPolarHBondContact O-CB 3.31Å; A162-V166 VanDerWaalsContact O-CG2 3.25Å; A162-V166 WeakPolarHBondContact O-CG2 3.35Å; A162-V166 PolarHBondContact O-N 2.95Å; A162-I200 HydrophobicContact CB-CB 4.42Å; A162-V204 HydrophobicContact CB-CG2 4.15Å
163	Q	89.7	Confident	83.2	Confident	18 Å²	18	59.8 Å²	59.8	8%	0.084	29%	0.29	C	S	.	.	H	α-helix	trans	-58.4	-46.4	176.2	-179.9	-179.9	-11.3	0	0	112.2	L77 V158 S159 H161 V166 S167	L77-Q163 HydrophobicContact CB-CG 4.21Å; L77-Q163 HydrophobicContact CD2-CG 4.3Å; L77-Q163 PolarHBondContact O-NE2 3.09Å; V158-Q163 HydrophobicContact CG1-CB 3.87Å; S159-Q163 PolarHBondContact O-N 3.16Å; H161-Q163 VanDerWaalsContact C-N 3.34Å; H161-Q163 PolarHBondContact O-N 2.96Å; Q163-V166 PolarHBondContact O-N 3.07Å; Q163-S167 WeakPolarHBondContact O-CB 3.38Å; Q163-S167 PolarHBondContact O-N 3.29Å
164	F	92.3	Very high	85.2	Confident	113 Å²	113	57.7 Å²	57.7	50%	0.496	28%	0.281	S	S	.	.	H	α-helix	trans	-57.4	-54.2	177.9	172.9	-98.9	0	0	0	111.1	R160 H161 A162 V166 S167 Q168	R160-F164 VanDerWaalsContact O-CB 3.31Å; R160-F164 WeakPolarHBondContact O-CB 3.44Å; R160-F164 PolarHBondContact O-N 3.27Å; H161-F164 PolarHBondContact O-N 3.24Å; A162-F164 PolarHBondContact O-N 2.95Å; F164-V166 VanDerWaalsContact C-N 3.32Å; F164-V166 PolarHBondContact O-N 3.29Å; F164-S167 WeakPolarHBondContact O-CB 3.24Å; F164-S167 PolarHBondContact O-N 3.12Å; F164-Q168 HydrophobicContact CE1-CG 4.11Å; F164-Q168 HydrophobicContact CE2-CG 4.3Å; F164-Q168 HydrophobicContact CZ-CG 4Å; F164-Q168 WeakPolarHBondContact O-CG 3.27Å; F164-Q168 PolarHBondContact O-N 3.07Å
165	Y	95.3	Very high	87.2	Confident	55 Å²	55	59.4 Å²	59.4	22%	0.216	29%	0.289	C	S	.	.	H	α-helix	trans	-62.9	-38.3	180	-79	-73.4	0	0	0	112.8	H161 A162 Q168 M169 V190 L192 I200	H161-Y165 AromaticContact CD2-CD2 3.82Å; H161-Y165 AromaticContact CD2-CE2 3.86Å; H161-Y165 AromaticContact CE1-CE2 3.3Å; H161-Y165 WeakPolarHBondContact CE1-CE2 3.43Å; H161-Y165 AromaticContact ND1-CE2 3.71Å; H161-Y165 AromaticContact NE2-CD2 3.72Å; H161-Y165 AromaticContact NE2-CE2 3.34Å; H161-Y165 VanDerWaalsContact NE2-CE2 3.34Å; H161-Y165 WeakPolarHBondContact NE2-CE2 3.35Å; H161-Y165 VanDerWaalsContact O-CD2 3.24Å; H161-Y165 WeakPolarHBondContact O-CD2 3.43Å; H161-Y165 PolarHBondContact O-N 3.22Å; H161-Y165 VanDerWaalsContact O-N 3.12Å; A162-Y165 PolarHBondContact O-N 3.44Å; Y165-Q168 PolarHBondContact O-N 3.4Å; Y165-M169 VanDerWaalsContact O-CG 3.25Å; Y165-M169 WeakPolarHBondContact O-CG 3.49Å; Y165-M169 PolarHBondContact O-N 3.17Å; Y165-V190 HydrophobicContact CD1-CB 4.16Å; Y165-V190 HydrophobicContact CD1-CG2 4.47Å; Y165-L192 HydrophobicContact CD1-CD1 3.49Å; Y165-L192 VanDerWaalsContact CD1-CD1 3.49Å; Y165-L192 HydrophobicContact CD1-CD2 4.44Å; Y165-L192 HydrophobicContact CD1-CG 3.99Å; Y165-L192 HydrophobicContact CD2-CD1 4.37Å; Y165-L192 HydrophobicContact CE1-CD1 3.97Å; Y165-L192 HydrophobicContact CE1-CD2 4.07Å; Y165-L192 HydrophobicContact CE1-CG 4Å; Y165-L192 HydrophobicContact CG-CD1 3.71Å; Y165-I200 HydrophobicContact CG-CD1 4.38Å
166	V	95.1	Very high	89.3	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.8	-39.6	176.9	171.8	0	0	0	0	111.3	L77 A162 Q163 F164 Q168 M169 L170 I200 F201 V204 M205	L77-V166 HydrophobicContact CD1-CG1 3.94Å; A162-V166 WeakPolarHBondContact O-CB 3.31Å; A162-V166 VanDerWaalsContact O-CG2 3.25Å; A162-V166 WeakPolarHBondContact O-CG2 3.35Å; A162-V166 PolarHBondContact O-N 2.95Å; Q163-V166 PolarHBondContact O-N 3.07Å; F164-V166 VanDerWaalsContact C-N 3.32Å; F164-V166 PolarHBondContact O-N 3.29Å; V166-Q168 PolarHBondContact O-N 3.11Å; V166-M169 PolarHBondContact O-N 3.37Å; V166-L170 HydrophobicContact CG1-CD1 3.79Å; V166-L170 HydrophobicContact CG1-CG 4.22Å; V166-L170 WeakPolarHBondContact O-CB 3.44Å; V166-L170 WeakPolarHBondContact O-CD1 3.4Å; V166-L170 WeakPolarHBondContact O-CG 3.38Å; V166-L170 PolarHBondContact O-N 3.09Å; V166-I200 HydrophobicContact CG2-CG1 4.21Å; V166-F201 HydrophobicContact CG1-CD2 4.28Å; V166-V204 HydrophobicContact CB-CB 4.33Å; V166-V204 HydrophobicContact CB-CG1 4.28Å; V166-V204 HydrophobicContact CB-CG2 4.44Å; V166-V204 HydrophobicContact CG1-CB 4.12Å; V166-V204 HydrophobicContact CG1-CG1 3.92Å; V166-V204 HydrophobicContact CG2-CB 3.98Å; V166-V204 HydrophobicContact CG2-CG1 4.47Å; V166-V204 HydrophobicContact CG2-CG2 3.86Å; V166-M205 HydrophobicContact CG1-CG 3.81Å; V166-M205 HydrophobicContact CG1-SD 3.84Å
167	S	93.8	Very high	90.9	Very high	7 Å²	7	47.6 Å²	47.6	5%	0.049	23%	0.233	C	C	.	.	H	α-helix	trans	-58.1	-46.6	171.9	176.6	0	0	0	0	111.3	H74 Q163 F164 M169 L170 G171	H74-S167 WeakPolarHBondContact CB-O 3.29Å; H74-S167 PolarHBondContact O-OG 2.9Å; Q163-S167 WeakPolarHBondContact O-CB 3.38Å; Q163-S167 PolarHBondContact O-N 3.29Å; F164-S167 WeakPolarHBondContact O-CB 3.24Å; F164-S167 PolarHBondContact O-N 3.12Å; S167-M169 PolarHBondContact O-N 3.47Å; S167-L170 PolarHBondContact O-N 3.45Å; S167-G171 PolarHBondContact O-N 2.94Å
168	Q	96.3	Very high	92.2	Very high	84 Å²	84	47.1 Å²	47.1	39%	0.393	23%	0.226	S	C	.	.	H	α-helix	trans	-61.1	-44.1	176.1	-62.2	-57.9	101.6	0	0	112.3	F164 Y165 V166 L170 G171 F172 V190	F164-Q168 HydrophobicContact CE1-CG 4.11Å; F164-Q168 HydrophobicContact CE2-CG 4.3Å; F164-Q168 HydrophobicContact CZ-CG 4Å; F164-Q168 WeakPolarHBondContact O-CG 3.27Å; F164-Q168 PolarHBondContact O-N 3.07Å; Y165-Q168 PolarHBondContact O-N 3.4Å; V166-Q168 PolarHBondContact O-N 3.11Å; Q168-L170 VanDerWaalsContact C-N 3.34Å; Q168-L170 PolarHBondContact O-N 2.91Å; Q168-G171 PolarHBondContact O-N 3.43Å; Q168-F172 PolarHBondContact O-N 2.99Å; Q168-V190 HydrophobicContact CB-CG1 3.72Å
169	M	97.5	Very high	93.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-43.5	176.3	-68.9	173.9	-163.3	0	0	111.5	Y165 V166 S167 F172 I173 V186 V190 L192 A197 I200 F201 M209	Y165-M169 VanDerWaalsContact O-CG 3.25Å; Y165-M169 WeakPolarHBondContact O-CG 3.49Å; Y165-M169 PolarHBondContact O-N 3.17Å; V166-M169 PolarHBondContact O-N 3.37Å; S167-M169 PolarHBondContact O-N 3.47Å; M169-F172 PolarHBondContact O-N 2.83Å; M169-I173 WeakPolarHBondContact O-CB 3.33Å; M169-I173 WeakPolarHBondContact O-CD1 3.27Å; M169-I173 WeakPolarHBondContact O-CG1 3.38Å; M169-I173 PolarHBondContact O-N 3.5Å; M169-V186 HydrophobicContact CB-CG1 3.72Å; M169-V186 HydrophobicContact CG-CG1 3.76Å; M169-V190 HydrophobicContact CE-CG2 3.67Å; M169-V190 HydrophobicContact CG-CG1 3.82Å; M169-V190 HydrophobicContact CG-CG2 3.96Å; M169-L192 HydrophobicContact CE-CD1 3.76Å; M169-A197 HydrophobicContact CE-CB 3.48Å; M169-A197 VanDerWaalsContact CE-CB 3.48Å; M169-A197 HydrophobicContact SD-CB 4.3Å; M169-I200 HydrophobicContact CE-CD1 3.79Å; M169-I200 HydrophobicContact CE-CG1 4.03Å; M169-F201 HydrophobicContact CB-CD2 4.38Å; M169-F201 HydrophobicContact SD-CB 4.29Å; M169-F201 HydrophobicContact SD-CD2 4.07Å; M169-M209 HydrophobicContact CG-CE 4.43Å; M169-M209 HydrophobicContact SD-CE 3.69Å
170	L	95.2	Very high	93.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.2	-36.7	179.5	-70.4	165.7	0	0	0	112.2	M73 H74 L77 V166 S167 Q168 I173 A174 F201 M205 Y212	M73-L170 HydrophobicContact CB-CD1 4.1Å; M73-L170 HydrophobicContact CG-CD1 3.52Å; H74-L170 HydrophobicContact CB-CB 3.84Å; L77-L170 HydrophobicContact CD1-CD1 3.59Å; V166-L170 HydrophobicContact CG1-CD1 3.79Å; V166-L170 HydrophobicContact CG1-CG 4.22Å; V166-L170 WeakPolarHBondContact O-CB 3.44Å; V166-L170 WeakPolarHBondContact O-CD1 3.4Å; V166-L170 WeakPolarHBondContact O-CG 3.38Å; V166-L170 PolarHBondContact O-N 3.09Å; S167-L170 PolarHBondContact O-N 3.45Å; Q168-L170 VanDerWaalsContact C-N 3.34Å; Q168-L170 PolarHBondContact O-N 2.91Å; L170-I173 PolarHBondContact O-N 3.05Å; L170-A174 VanDerWaalsContact O-CB 3.31Å; L170-A174 WeakPolarHBondContact O-CB 3.44Å; L170-A174 PolarHBondContact O-N 2.88Å; L170-F201 HydrophobicContact CD2-CE2 3.66Å; L170-F201 HydrophobicContact CD2-CZ 3.86Å; L170-F201 HydrophobicContact CG-CE2 4.07Å; L170-M205 HydrophobicContact CD1-CE 4.37Å; L170-M205 HydrophobicContact CD1-SD 3.92Å; L170-M205 HydrophobicContact CD2-CE 4.44Å; L170-Y212 HydrophobicContact CD2-CD1 3.67Å; L170-Y212 HydrophobicContact CD2-CD2 4.34Å; L170-Y212 HydrophobicContact CD2-CE1 3.22Å; L170-Y212 HydrophobicContact CD2-CE2 3.96Å; L170-Y212 HydrophobicContact CD2-CG 4.22Å
171	G	93.9	Very high	93.6	Very high	12 Å²	12	44 Å²	44	12%	0.124	22%	0.223	C	C	.	.	H	α-helix	trans	-61	-52	172.9	0	0	0	0	0	111	S167 Q168 I173 A174 E175	S167-G171 PolarHBondContact O-N 2.94Å; Q168-G171 PolarHBondContact O-N 3.43Å; G171-I173 VanDerWaalsContact C-N 3.33Å; G171-I173 PolarHBondContact O-N 2.93Å; G171-A174 WeakPolarHBondContact O-CB 3.07Å; G171-A174 PolarHBondContact O-N 3.29Å; G171-E175 PolarHBondContact O-N 3.3Å; G171-E175 VanDerWaalsContact O-N 3.11Å
172	F	97.3	Very high	93.7	Very high	33 Å²	33	42 Å²	42	15%	0.145	22%	0.218	C	C	.	.	H	α-helix	trans	-59.9	-41.2	176.8	-176.7	-111.5	0	0	0	112.8	Q168 M169 E175 N176 L181 D185 V186 H189	Q168-F172 PolarHBondContact O-N 2.99Å; M169-F172 PolarHBondContact O-N 2.83Å; F172-E175 PolarHBondContact O-N 3.16Å; F172-N176 WeakPolarHBondContact CD2-ND2 3.47Å; F172-N176 VanDerWaalsContact CE2-ND2 3.33Å; F172-N176 WeakPolarHBondContact CE2-ND2 3.02Å; F172-N176 WeakPolarHBondContact O-CB 3.48Å; F172-N176 PolarHBondContact O-N 3.28Å; F172-N176 VanDerWaalsContact O-N 3.16Å; F172-N176 PolarHBondContact O-ND2 3.26Å; F172-L181 HydrophobicContact CD1-CD1 4.27Å; F172-L181 HydrophobicContact CE1-CD1 3.6Å; F172-L181 HydrophobicContact CZ-CD1 4.29Å; F172-D185 HydrophobicContact CE1-CB 4.33Å; F172-V186 HydrophobicContact CD1-CB 4.23Å; F172-V186 HydrophobicContact CD1-CG1 4.37Å; F172-V186 HydrophobicContact CD1-CG2 3.96Å; F172-V186 HydrophobicContact CE1-CG2 4.17Å; F172-H189 HydrophobicContact CD1-CB 3.9Å; F172-H189 HydrophobicContact CD2-CB 4.05Å; F172-H189 AromaticContact CD2-CD2 3.73Å; F172-H189 AromaticContact CD2-CE1 3.5Å; F172-H189 AromaticContact CD2-CG 3.41Å; F172-H189 VanDerWaalsContact CD2-CG 3.41Å; F172-H189 AromaticContact CD2-ND1 3.27Å; F172-H189 VanDerWaalsContact CD2-ND1 3.27Å; F172-H189 WeakPolarHBondContact CD2-ND1 3.33Å; F172-H189 AromaticContact CD2-NE2 3.8Å; F172-H189 HydrophobicContact CE1-CB 3.94Å; F172-H189 HydrophobicContact CE2-CB 4.1Å; F172-H189 AromaticContact CE2-CG 3.79Å; F172-H189 AromaticContact CE2-ND1 3.48Å; F172-H189 WeakPolarHBondContact CE2-ND1 3.37Å; F172-H189 HydrophobicContact CG-CB 3.94Å; F172-H189 AromaticContact CG-CD2 3.6Å; F172-H189 AromaticContact CG-CG 3.53Å; F172-H189 AromaticContact CG-ND1 3.91Å; F172-H189 HydrophobicContact CZ-CB 4.04Å
173	I	96.3	Very high	93.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.2	-44.5	174	-69	161.2	0	0	0	110.5	M169 L170 G171 E175 N176 Y177 L181 V186 F201 M209 Y212 I213 M216	M169-I173 WeakPolarHBondContact O-CB 3.33Å; M169-I173 WeakPolarHBondContact O-CD1 3.27Å; M169-I173 WeakPolarHBondContact O-CG1 3.38Å; M169-I173 PolarHBondContact O-N 3.5Å; L170-I173 PolarHBondContact O-N 3.05Å; G171-I173 VanDerWaalsContact C-N 3.33Å; G171-I173 PolarHBondContact O-N 2.93Å; I173-E175 PolarHBondContact O-N 2.8Å; I173-N176 PolarHBondContact O-N 3.43Å; I173-N176 VanDerWaalsContact O-N 3.12Å; I173-Y177 WeakPolarHBondContact O-CA 3.27Å; I173-Y177 VanDerWaalsContact O-CB 3.25Å; I173-Y177 WeakPolarHBondContact O-CB 3.33Å; I173-Y177 WeakPolarHBondContact O-CD1 3.35Å; I173-Y177 PolarHBondContact O-N 3.44Å; I173-L181 HydrophobicContact CB-CD2 4.32Å; I173-L181 HydrophobicContact CG1-CD2 4.02Å; I173-L181 HydrophobicContact CG2-CD2 4.27Å; I173-V186 HydrophobicContact CD1-CG1 4.26Å; I173-V186 HydrophobicContact CD1-CG2 4.39Å; I173-V186 HydrophobicContact CG1-CG1 4.23Å; I173-V186 HydrophobicContact CG1-CG2 3.82Å; I173-F201 HydrophobicContact CD1-CE2 4.06Å; I173-M209 HydrophobicContact CD1-CG 3.75Å; I173-M209 HydrophobicContact CD1-SD 4.38Å; I173-Y212 HydrophobicContact CD1-CD1 4.19Å; I173-Y212 HydrophobicContact CG2-CD1 3.94Å; I173-Y212 HydrophobicContact CG2-CE1 4.03Å; I173-I213 HydrophobicContact CD1-CG1 4.32Å; I173-I213 HydrophobicContact CG1-CD1 4.47Å; I173-I213 HydrophobicContact CG1-CG1 4.23Å; I173-I213 HydrophobicContact CG2-CG1 3.71Å; I173-M216 HydrophobicContact CG2-SD 3.76Å
174	A	92.6	Very high	94.2	Very high	30 Å²	30	48.4 Å²	48.4	25%	0.248	25%	0.252	C	S	.	.	H	α-helix	trans	-62	-30	-178.6	0	0	0	0	0	113.2	L170 G171 Y177 M216	L170-A174 VanDerWaalsContact O-CB 3.31Å; L170-A174 WeakPolarHBondContact O-CB 3.44Å; L170-A174 PolarHBondContact O-N 2.88Å; G171-A174 WeakPolarHBondContact O-CB 3.07Å; G171-A174 PolarHBondContact O-N 3.29Å; A174-Y177 VanDerWaalsContact O-CD1 3.25Å; A174-Y177 WeakPolarHBondContact O-CD1 3.21Å; A174-Y177 WeakPolarHBondContact O-CE1 3.11Å; A174-M216 HydrophobicContact CB-CE 4.08Å
175	E	94	Very high	94.4	Very high	146 Å²	146	45.8 Å²	45.8	68%	0.682	24%	0.243	S	C	*	.	H	α-helix	trans	-83.9	-19.9	177.1	-68.9	170.6	-172.2	0	0	113.6	G171 F172 I173	G171-E175 PolarHBondContact O-N 3.3Å; G171-E175 VanDerWaalsContact O-N 3.11Å; F172-E175 PolarHBondContact O-N 3.16Å; I173-E175 PolarHBondContact O-N 2.8Å
176	N	96	Very high	94.5	Very high	46 Å²	46	43.1 Å²	43.1	25%	0.246	23%	0.233	C	C	.	.	H	α-helix	trans	-129.6	2.2	-168.1	-64.4	-88.9	0	0	0	114.7	F172 I173 D178 Q179 L181	F172-N176 WeakPolarHBondContact CD2-ND2 3.47Å; F172-N176 VanDerWaalsContact CE2-ND2 3.33Å; F172-N176 WeakPolarHBondContact CE2-ND2 3.02Å; F172-N176 WeakPolarHBondContact O-CB 3.48Å; F172-N176 PolarHBondContact O-N 3.28Å; F172-N176 VanDerWaalsContact O-N 3.16Å; F172-N176 PolarHBondContact O-ND2 3.26Å; I173-N176 PolarHBondContact O-N 3.43Å; I173-N176 VanDerWaalsContact O-N 3.12Å; N176-D178 PolarHBondContact O-N 3.32Å; N176-Q179 WeakPolarHBondContact O-CB 3.29Å; N176-Q179 PolarHBondContact O-N 3.14Å; N176-L181 HydrophobicContact CB-CD1 4.13Å; N176-L181 HydrophobicContact CB-CD2 4.38Å
177	Y	93.2	Very high	94.6	Very high	42 Å²	42	43.2 Å²	43.2	17%	0.165	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-30.4	-173.5	70.2	-83.9	0	0	0	113	I173 A174 Q179 M216 R217 H220	I173-Y177 WeakPolarHBondContact O-CA 3.27Å; I173-Y177 VanDerWaalsContact O-CB 3.25Å; I173-Y177 WeakPolarHBondContact O-CB 3.33Å; I173-Y177 WeakPolarHBondContact O-CD1 3.35Å; I173-Y177 PolarHBondContact O-N 3.44Å; A174-Y177 VanDerWaalsContact O-CD1 3.25Å; A174-Y177 WeakPolarHBondContact O-CD1 3.21Å; A174-Y177 WeakPolarHBondContact O-CE1 3.11Å; Y177-Q179 PolarHBondContact O-N 3.25Å; Y177-M216 HydrophobicContact CD1-CE 3.71Å; Y177-M216 HydrophobicContact CD1-SD 4.48Å; Y177-M216 HydrophobicContact CD2-CB 3.92Å; Y177-M216 HydrophobicContact CE1-CE 3.94Å; Y177-M216 HydrophobicContact CE2-CB 4.4Å; Y177-M216 HydrophobicContact CG-CB 4.04Å; Y177-M216 HydrophobicContact CG-CE 4.2Å; Y177-R217 HydrophobicContact CD2-CG 3.96Å; Y177-R217 VanDerWaalsContact O-CZ 3.3Å; Y177-R217 PolarHBondContact O-NE 3.11Å; Y177-R217 PolarHBondContact O-NH2 2.89Å; Y177-H220 HydrophobicContact CE2-CB 3.72Å; Y177-H220 AromaticContact CE2-CG 3.97Å; Y177-H220 AromaticContact CE2-ND1 3.52Å; Y177-H220 AromaticContact CZ-ND1 3.72Å; Y177-H220 PolarHBondContact OH-ND1 3.04Å; Y177-H220 VanDerWaalsContact OH-ND1 3.17Å
178	D	92.6	Very high	94.7	Very high	45 Å²	45	49.9 Å²	49.9	24%	0.241	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-9.4	177.8	67.5	-20	0	0	0	112.7	N176 G240	N176-D178 PolarHBondContact O-N 3.32Å; D178-G240 WeakPolarHBondContact O-CA 3.39Å; D178-G240 PolarHBondContact O-N 3Å
179	Q	92.8	Very high	94.8	Very high	110 Å²	110	50.3 Å²	50.3	51%	0.514	27%	0.266	S	S	.	.	S	Bend	trans	-97.9	-177.4	175.4	-56.2	-52.6	-34.8	0	0	112.9	N176 Y177 L181 R217	N176-Q179 WeakPolarHBondContact O-CB 3.29Å; N176-Q179 PolarHBondContact O-N 3.14Å; Y177-Q179 PolarHBondContact O-N 3.25Å; Q179-L181 PolarHBondContact O-N 3.41Å; Q179-R217 PolarHBondContact O-NH2 2.87Å
180	A	88.1	Confident	94.7	Very high	58 Å²	58	50.9 Å²	50.9	48%	0.479	27%	0.269	S	S	.	.	S	Bend	trans	-62	49.2	173.3	0	0	0	0	0	115.3	R242	A180-R242 PolarHBondContact O-NH2 3.06Å
181	L	93.2	Very high	94.8	Very high	22 Å²	22	60 Å²	60	12%	0.115	31%	0.309	C	S	.	.			trans	-82.2	128.2	-172.3	-169.1	64.7	0	0	0	114.3	F172 I173 N176 Q179 D185 V186 I213	F172-L181 HydrophobicContact CD1-CD1 4.27Å; F172-L181 HydrophobicContact CE1-CD1 3.6Å; F172-L181 HydrophobicContact CZ-CD1 4.29Å; I173-L181 HydrophobicContact CB-CD2 4.32Å; I173-L181 HydrophobicContact CG1-CD2 4.02Å; I173-L181 HydrophobicContact CG2-CD2 4.27Å; N176-L181 HydrophobicContact CB-CD1 4.13Å; N176-L181 HydrophobicContact CB-CD2 4.38Å; Q179-L181 PolarHBondContact O-N 3.41Å; L181-D185 HydrophobicContact CD1-CB 4.03Å; L181-V186 HydrophobicContact CD1-CG2 3.83Å; L181-V186 HydrophobicContact CD2-CG2 4.07Å; L181-V186 HydrophobicContact CG-CG2 4Å; L181-I213 HydrophobicContact CD2-CD1 3.9Å; L181-I213 HydrophobicContact CD2-CG1 4.17Å; L181-I213 HydrophobicContact CG-CD1 4.29Å
182	T	92.7	Very high	94.9	Very high	59 Å²	59	61 Å²	61	36%	0.362	31%	0.311	S	S	.	.			trans	-113.4	165.3	172.3	77.9	0	0	0	0	111.7	N184 D185 V186	T182-N184 PolarHBondContact O-N 3.36Å; T182-N184 PolarHBondContact OG1-N 2.74Å; T182-D185 WeakPolarHBondContact CA-OD2 3.49Å; T182-D185 VanDerWaalsContact CB-OD2 3.24Å; T182-D185 WeakPolarHBondContact CB-OD2 3.24Å; T182-D185 WeakPolarHBondContact CG2-OD2 3.41Å; T182-D185 PolarHBondContact N-OD2 2.76Å; T182-D185 PolarHBondContact O-N 2.84Å; T182-D185 PolarHBondContact OG1-N 3.33Å; T182-D185 PolarHBondContact OG1-OD1 3.45Å; T182-D185 PolarHBondContact OG1-OD2 2.76Å; T182-V186 WeakPolarHBondContact O-CG2 3.34Å; T182-V186 PolarHBondContact O-N 3.5Å
183	I	93.6	Very high	94.9	Very high	50 Å²	50	64.2 Å²	64.2	26%	0.256	33%	0.329	S	S	.	.	H	α-helix	trans	-64.2	-33.9	176.5	-62.4	173.2	0	0	0	111.1	V186 A187 M198 M209	I183-V186 PolarHBondContact O-N 2.85Å; I183-A187 WeakPolarHBondContact O-CB 3.38Å; I183-A187 PolarHBondContact O-N 2.99Å; I183-M198 HydrophobicContact CD1-SD 3.89Å; I183-M198 HydrophobicContact CG2-CG 3.61Å; I183-M198 HydrophobicContact CG2-SD 3.89Å; I183-M209 HydrophobicContact CB-SD 4.36Å; I183-M209 HydrophobicContact CG1-SD 4.26Å; I183-M209 HydrophobicContact CG2-SD 4.09Å
184	N	95.8	Very high	94.9	Very high	105 Å²	105	65.2 Å²	65.2	56%	0.561	34%	0.338	S	S	*	.	H	α-helix	trans	-66.5	-41.6	178.7	-71	-22.2	0	0	0	110.9	T182 V186 A187 E188 A194	T182-N184 PolarHBondContact O-N 3.36Å; T182-N184 PolarHBondContact OG1-N 2.74Å; N184-V186 VanDerWaalsContact C-N 3.3Å; N184-V186 PolarHBondContact O-N 3.29Å; N184-A187 PolarHBondContact O-N 2.78Å; N184-E188 VanDerWaalsContact O-CB 3.28Å; N184-E188 WeakPolarHBondContact O-CB 3.42Å; N184-E188 PolarHBondContact O-N 2.84Å; N184-A194 WeakPolarHBondContact OD1-CB 3.21Å
185	D	96.8	Very high	95.1	Very high	57 Å²	57	69.7 Å²	69.7	31%	0.305	36%	0.358	S	S	.	.	H	α-helix	trans	-59.5	-43.6	177.3	-50.2	-39.6	0	0	0	110.9	F172 L181 T182 H189	F172-D185 HydrophobicContact CE1-CB 4.33Å; L181-D185 HydrophobicContact CD1-CB 4.03Å; T182-D185 WeakPolarHBondContact CA-OD2 3.49Å; T182-D185 VanDerWaalsContact CB-OD2 3.24Å; T182-D185 WeakPolarHBondContact CB-OD2 3.24Å; T182-D185 WeakPolarHBondContact CG2-OD2 3.41Å; T182-D185 PolarHBondContact N-OD2 2.76Å; T182-D185 PolarHBondContact O-N 2.84Å; T182-D185 PolarHBondContact OG1-N 3.33Å; T182-D185 PolarHBondContact OG1-OD1 3.45Å; T182-D185 PolarHBondContact OG1-OD2 2.76Å; D185-H189 WeakPolarHBondContact O-CB 3.33Å; D185-H189 PolarHBondContact O-N 3.35Å
186	V	97.3	Very high	95.2	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-65.1	-43.2	177.6	-178.4	0	0	0	0	111.4	M169 F172 I173 L181 T182 I183 N184 V190 M209	M169-V186 HydrophobicContact CB-CG1 3.72Å; M169-V186 HydrophobicContact CG-CG1 3.76Å; F172-V186 HydrophobicContact CD1-CB 4.23Å; F172-V186 HydrophobicContact CD1-CG1 4.37Å; F172-V186 HydrophobicContact CD1-CG2 3.96Å; F172-V186 HydrophobicContact CE1-CG2 4.17Å; I173-V186 HydrophobicContact CD1-CG1 4.26Å; I173-V186 HydrophobicContact CD1-CG2 4.39Å; I173-V186 HydrophobicContact CG1-CG1 4.23Å; I173-V186 HydrophobicContact CG1-CG2 3.82Å; L181-V186 HydrophobicContact CD1-CG2 3.83Å; L181-V186 HydrophobicContact CD2-CG2 4.07Å; L181-V186 HydrophobicContact CG-CG2 4Å; T182-V186 WeakPolarHBondContact O-CG2 3.34Å; T182-V186 PolarHBondContact O-N 3.5Å; I183-V186 PolarHBondContact O-N 2.85Å; N184-V186 VanDerWaalsContact C-N 3.3Å; N184-V186 PolarHBondContact O-N 3.29Å; V186-V190 PolarHBondContact O-N 2.7Å; V186-M209 HydrophobicContact CB-CE 4.13Å; V186-M209 HydrophobicContact CB-SD 3.6Å; V186-M209 VanDerWaalsContact CB-SD 3.6Å; V186-M209 HydrophobicContact CG1-CE 3.58Å; V186-M209 HydrophobicContact CG1-SD 3.62Å; V186-M209 HydrophobicContact CG2-SD 3.77Å
187	A	97.3	Very high	95.2	Very high	2 Å²	2	64.9 Å²	64.9	2%	0.017	33%	0.331	C	S	.	.	H	α-helix	trans	-67.1	-41	179.7	0	0	0	0	0	112.2	I183 N184 V190 K191 L192 A194 A197	I183-A187 WeakPolarHBondContact O-CB 3.38Å; I183-A187 PolarHBondContact O-N 2.99Å; N184-A187 PolarHBondContact O-N 2.78Å; A187-V190 CarbonylContact O-C 3.52Å; A187-V190 WeakPolarHBondContact O-CG2 3.4Å; A187-V190 PolarHBondContact O-N 3.45Å; A187-K191 PolarHBondContact O-N 2.75Å; A187-L192 CarbonylContact C-O 3.49Å; A187-L192 WeakPolarHBondContact CB-O 3.32Å; A187-L192 PolarHBondContact O-N 2.76Å; A187-A194 HydrophobicContact CB-CB 4.08Å; A187-A197 HydrophobicContact CB-CB 3.84Å
188	E	97.5	Very high	95.4	Very high	147 Å²	147	65.9 Å²	65.9	69%	0.687	34%	0.337	S	S	*	.	H	α-helix	trans	-64.5	-43.3	176.7	-176	172.7	-176.1	0	0	111.5	N184 V190 K191	N184-E188 VanDerWaalsContact O-CB 3.28Å; N184-E188 WeakPolarHBondContact O-CB 3.42Å; N184-E188 PolarHBondContact O-N 2.84Å; E188-V190 VanDerWaalsContact C-N 3.25Å; E188-V190 PolarHBondContact O-N 2.9Å; E188-K191 WeakPolarHBondContact O-CA 3.24Å; E188-K191 PolarHBondContact O-N 2.61Å
189	H	96.9	Very high	95.4	Very high	93 Å²	93	65.3 Å²	65.3	43%	0.431	34%	0.342	S	S	.	.	H	α-helix	trans	-54.5	-42.5	176.1	178.7	82	0	0	0	112.2	F172 D185 K191	F172-H189 HydrophobicContact CD1-CB 3.9Å; F172-H189 HydrophobicContact CD2-CB 4.05Å; F172-H189 AromaticContact CD2-CD2 3.73Å; F172-H189 AromaticContact CD2-CE1 3.5Å; F172-H189 AromaticContact CD2-CG 3.41Å; F172-H189 VanDerWaalsContact CD2-CG 3.41Å; F172-H189 AromaticContact CD2-ND1 3.27Å; F172-H189 VanDerWaalsContact CD2-ND1 3.27Å; F172-H189 WeakPolarHBondContact CD2-ND1 3.33Å; F172-H189 AromaticContact CD2-NE2 3.8Å; F172-H189 HydrophobicContact CE1-CB 3.94Å; F172-H189 HydrophobicContact CE2-CB 4.1Å; F172-H189 AromaticContact CE2-CG 3.79Å; F172-H189 AromaticContact CE2-ND1 3.48Å; F172-H189 WeakPolarHBondContact CE2-ND1 3.37Å; F172-H189 HydrophobicContact CG-CB 3.94Å; F172-H189 AromaticContact CG-CD2 3.6Å; F172-H189 AromaticContact CG-CG 3.53Å; F172-H189 AromaticContact CG-ND1 3.91Å; F172-H189 HydrophobicContact CZ-CB 4.04Å; D185-H189 WeakPolarHBondContact O-CB 3.33Å; D185-H189 PolarHBondContact O-N 3.35Å; H189-K191 VanDerWaalsContact C-N 3.32Å
190	V	96.1	Very high	95.5	Very high	12 Å²	12	60.1 Å²	60.1	7%	0.073	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	8.2	177.9	-55.5	0	0	0	0	113.9	Y165 Q168 M169 V186 A187 E188 L192	Y165-V190 HydrophobicContact CD1-CB 4.16Å; Y165-V190 HydrophobicContact CD1-CG2 4.47Å; Q168-V190 HydrophobicContact CB-CG1 3.72Å; M169-V190 HydrophobicContact CE-CG2 3.67Å; M169-V190 HydrophobicContact CG-CG1 3.82Å; M169-V190 HydrophobicContact CG-CG2 3.96Å; V186-V190 PolarHBondContact O-N 2.7Å; A187-V190 CarbonylContact O-C 3.52Å; A187-V190 WeakPolarHBondContact O-CG2 3.4Å; A187-V190 PolarHBondContact O-N 3.45Å; E188-V190 VanDerWaalsContact C-N 3.25Å; E188-V190 PolarHBondContact O-N 2.9Å; V190-L192 VanDerWaalsContact C-N 3.31Å; V190-L192 HydrophobicContact CG2-CB 4.08Å; V190-L192 HydrophobicContact CG2-CD1 3.95Å; V190-L192 HydrophobicContact CG2-CG 3.97Å; V190-L192 PolarHBondContact O-N 2.67Å
191	K	97.1	Very high	95.8	Very high	192 Å²	192	57.4 Å²	57.4	84%	0.835	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	39.4	177.9	-54.2	-179	-178.4	179.4	0	113.8	A187 E188 H189	A187-K191 PolarHBondContact O-N 2.75Å; E188-K191 WeakPolarHBondContact O-CA 3.24Å; E188-K191 PolarHBondContact O-N 2.61Å; H189-K191 VanDerWaalsContact C-N 3.32Å
192	L	96.2	Very high	95.8	Very high	33 Å²	33	61.3 Å²	61.3	17%	0.173	31%	0.313	C	S	.	.			trans	-117.5	155.5	176.6	-66.1	179.5	0	0	0	111.2	Y165 M169 A187 V190 Y196 A197 I200	Y165-L192 HydrophobicContact CD1-CD1 3.49Å; Y165-L192 VanDerWaalsContact CD1-CD1 3.49Å; Y165-L192 HydrophobicContact CD1-CD2 4.44Å; Y165-L192 HydrophobicContact CD1-CG 3.99Å; Y165-L192 HydrophobicContact CD2-CD1 4.37Å; Y165-L192 HydrophobicContact CE1-CD1 3.97Å; Y165-L192 HydrophobicContact CE1-CD2 4.07Å; Y165-L192 HydrophobicContact CE1-CG 4Å; Y165-L192 HydrophobicContact CG-CD1 3.71Å; M169-L192 HydrophobicContact CE-CD1 3.76Å; A187-L192 CarbonylContact C-O 3.49Å; A187-L192 WeakPolarHBondContact CB-O 3.32Å; A187-L192 PolarHBondContact O-N 2.76Å; V190-L192 VanDerWaalsContact C-N 3.31Å; V190-L192 HydrophobicContact CG2-CB 4.08Å; V190-L192 HydrophobicContact CG2-CD1 3.95Å; V190-L192 HydrophobicContact CG2-CG 3.97Å; V190-L192 PolarHBondContact O-N 2.67Å; L192-Y196 HydrophobicContact CB-CD1 4.47Å; L192-Y196 HydrophobicContact CD1-CD1 3.94Å; L192-Y196 HydrophobicContact CD1-CE1 4.07Å; L192-Y196 HydrophobicContact CD2-CD1 4.03Å; L192-Y196 HydrophobicContact CD2-CE1 4.12Å; L192-Y196 HydrophobicContact CG-CD1 4.38Å; L192-A197 HydrophobicContact CB-CB 4.32Å; L192-I200 HydrophobicContact CD1-CD1 3.82Å
193	N	96.5	Very high	95.6	Very high	99 Å²	99	65.5 Å²	65.5	53%	0.529	32%	0.322	S	S	.	.			trans	-67.8	142.6	167.2	75.3	79.8	0	0	0	110.1	N195 Y196 A197	N193-N195 VanDerWaalsContact C-N 3.31Å; N193-N195 PolarHBondContact O-N 3.23Å; N193-N195 PolarHBondContact OD1-N 3.07Å; N193-Y196 VanDerWaalsContact CG-CB 3.49Å; N193-Y196 WeakPolarHBondContact ND2-CB 3.46Å; N193-Y196 PolarHBondContact O-N 3.04Å; N193-Y196 WeakPolarHBondContact OD1-CB 3.25Å; N193-Y196 PolarHBondContact OD1-N 2.85Å; N193-A197 WeakPolarHBondContact O-CB 3.47Å; N193-A197 PolarHBondContact O-N 3.32Å
194	A	96.7	Very high	95.4	Very high	21 Å²	21	63.1 Å²	63.1	17%	0.174	31%	0.31	C	S	.	.	H	α-helix	trans	-58.9	-38.1	-173.7	0	0	0	0	0	113.6	N184 A187 A197 M198	N184-A194 WeakPolarHBondContact OD1-CB 3.21Å; A187-A194 HydrophobicContact CB-CB 4.08Å; A194-A197 PolarHBondContact O-N 3.01Å; A194-M198 WeakPolarHBondContact O-CB 3.34Å; A194-M198 VanDerWaalsContact O-CG 3.31Å; A194-M198 WeakPolarHBondContact O-CG 3.37Å; A194-M198 PolarHBondContact O-N 2.94Å
195	N	96.5	Very high	95	Very high	125 Å²	125	58.1 Å²	58.1	67%	0.668	28%	0.283	S	S	*	.	H	α-helix	trans	-65.7	-43.8	-179.9	-71.6	-25.6	0	0	0	112.2	N193 M198 G199	N193-N195 VanDerWaalsContact C-N 3.31Å; N193-N195 PolarHBondContact O-N 3.23Å; N193-N195 PolarHBondContact OD1-N 3.07Å; N195-M198 WeakPolarHBondContact OD1-CE 3.49Å; N195-G199 PolarHBondContact O-N 2.73Å
196	Y	95.9	Very high	94.5	Very high	91 Å²	91	60.4 Å²	60.4	36%	0.357	29%	0.292	S	S	.	.	H	α-helix	trans	-66.8	-44.3	175.6	-178	-107.3	0	0	0	110.9	L192 N193 M198 G199 I200	L192-Y196 HydrophobicContact CB-CD1 4.47Å; L192-Y196 HydrophobicContact CD1-CD1 3.94Å; L192-Y196 HydrophobicContact CD1-CE1 4.07Å; L192-Y196 HydrophobicContact CD2-CD1 4.03Å; L192-Y196 HydrophobicContact CD2-CE1 4.12Å; L192-Y196 HydrophobicContact CG-CD1 4.38Å; N193-Y196 VanDerWaalsContact CG-CB 3.49Å; N193-Y196 WeakPolarHBondContact ND2-CB 3.46Å; N193-Y196 PolarHBondContact O-N 3.04Å; N193-Y196 WeakPolarHBondContact OD1-CB 3.25Å; N193-Y196 PolarHBondContact OD1-N 2.85Å; Y196-M198 PolarHBondContact O-N 2.89Å; Y196-G199 PolarHBondContact O-N 3.4Å; Y196-G199 VanDerWaalsContact O-N 3.13Å; Y196-I200 HydrophobicContact CD1-CD1 4.38Å; Y196-I200 HydrophobicContact CD1-CG2 4.43Å; Y196-I200 HydrophobicContact CD2-CG2 4.25Å; Y196-I200 HydrophobicContact CE1-CD1 4.02Å; Y196-I200 HydrophobicContact CE1-CG2 4.01Å; Y196-I200 HydrophobicContact CE2-CG2 3.8Å; Y196-I200 WeakPolarHBondContact O-CG1 3.44Å; Y196-I200 PolarHBondContact O-N 3.42Å
197	A	96.9	Very high	94.1	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-56.4	-48.2	175.9	0	0	0	0	0	111.8	M169 A187 L192 N193 A194 G199 I200 F201	M169-A197 HydrophobicContact CE-CB 3.48Å; M169-A197 VanDerWaalsContact CE-CB 3.48Å; M169-A197 HydrophobicContact SD-CB 4.3Å; A187-A197 HydrophobicContact CB-CB 3.84Å; L192-A197 HydrophobicContact CB-CB 4.32Å; N193-A197 WeakPolarHBondContact O-CB 3.47Å; N193-A197 PolarHBondContact O-N 3.32Å; A194-A197 PolarHBondContact O-N 3.01Å; A197-G199 PolarHBondContact O-N 2.84Å; A197-I200 WeakPolarHBondContact O-CG1 3.22Å; A197-F201 WeakPolarHBondContact O-CB 3.46Å; A197-F201 PolarHBondContact O-N 2.92Å
198	M	96.3	Very high	93.9	Very high	63 Å²	63	63.6 Å²	63.6	31%	0.31	31%	0.311	S	S	.	.	H	α-helix	trans	-59.7	-45.5	173.8	-74.6	-173.2	-70.5	0	0	112.1	I183 A194 N195 Y196 F201 Q202	I183-M198 HydrophobicContact CD1-SD 3.89Å; I183-M198 HydrophobicContact CG2-CG 3.61Å; I183-M198 HydrophobicContact CG2-SD 3.89Å; A194-M198 WeakPolarHBondContact O-CB 3.34Å; A194-M198 VanDerWaalsContact O-CG 3.31Å; A194-M198 WeakPolarHBondContact O-CG 3.37Å; A194-M198 PolarHBondContact O-N 2.94Å; N195-M198 WeakPolarHBondContact OD1-CE 3.49Å; Y196-M198 PolarHBondContact O-N 2.89Å; M198-F201 PolarHBondContact O-N 3.29Å; M198-Q202 WeakPolarHBondContact O-CB 3.46Å; M198-Q202 PolarHBondContact O-N 3.41Å
199	G	94.2	Very high	93.7	Very high	33 Å²	33	56.8 Å²	56.8	34%	0.34	28%	0.279	S	S	.	.	H	α-helix	trans	-63.1	-43.1	-178.4	0	0	0	0	0	113.2	N195 Y196 A197 R203	N195-G199 PolarHBondContact O-N 2.73Å; Y196-G199 PolarHBondContact O-N 3.4Å; Y196-G199 VanDerWaalsContact O-N 3.13Å; A197-G199 PolarHBondContact O-N 2.84Å; G199-R203 WeakPolarHBondContact O-CB 3.45Å; G199-R203 PolarHBondContact O-N 3.11Å; G199-R203 VanDerWaalsContact O-N 3.17Å
200	I	94	Very high	93.6	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-72.9	-39.5	176.2	67.6	177.5	0	0	0	111.5	A162 Y165 V166 M169 L192 Y196 A197 Q202 R203 V204	A162-I200 HydrophobicContact CB-CB 4.42Å; Y165-I200 HydrophobicContact CG-CD1 4.38Å; V166-I200 HydrophobicContact CG2-CG1 4.21Å; M169-I200 HydrophobicContact CE-CD1 3.79Å; M169-I200 HydrophobicContact CE-CG1 4.03Å; L192-I200 HydrophobicContact CD1-CD1 3.82Å; Y196-I200 HydrophobicContact CD1-CD1 4.38Å; Y196-I200 HydrophobicContact CD1-CG2 4.43Å; Y196-I200 HydrophobicContact CD2-CG2 4.25Å; Y196-I200 HydrophobicContact CE1-CD1 4.02Å; Y196-I200 HydrophobicContact CE1-CG2 4.01Å; Y196-I200 HydrophobicContact CE2-CG2 3.8Å; Y196-I200 WeakPolarHBondContact O-CG1 3.44Å; Y196-I200 PolarHBondContact O-N 3.42Å; A197-I200 WeakPolarHBondContact O-CG1 3.22Å; I200-Q202 PolarHBondContact O-N 3.45Å; I200-R203 PolarHBondContact O-N 3.46Å; I200-V204 WeakPolarHBondContact O-CG2 3.46Å; I200-V204 PolarHBondContact O-N 3.4Å
201	F	94.7	Very high	93.3	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59	-51.4	176.9	-172.1	-78.8	0	0	0	110.9	V166 M169 L170 I173 A197 M198 R203 V204 M205 L207 M209 Y212	V166-F201 HydrophobicContact CG1-CD2 4.28Å; M169-F201 HydrophobicContact CB-CD2 4.38Å; M169-F201 HydrophobicContact SD-CB 4.29Å; M169-F201 HydrophobicContact SD-CD2 4.07Å; L170-F201 HydrophobicContact CD2-CE2 3.66Å; L170-F201 HydrophobicContact CD2-CZ 3.86Å; L170-F201 HydrophobicContact CG-CE2 4.07Å; I173-F201 HydrophobicContact CD1-CE2 4.06Å; A197-F201 WeakPolarHBondContact O-CB 3.46Å; A197-F201 PolarHBondContact O-N 2.92Å; M198-F201 PolarHBondContact O-N 3.29Å; F201-R203 VanDerWaalsContact C-N 3.29Å; F201-R203 PolarHBondContact O-N 3.21Å; F201-V204 PolarHBondContact O-N 3.11Å; F201-M205 HydrophobicContact CD1-CB 4.08Å; F201-M205 HydrophobicContact CD1-CG 4.04Å; F201-M205 HydrophobicContact CD2-CG 4.35Å; F201-M205 HydrophobicContact CE1-CB 3.78Å; F201-M205 HydrophobicContact CE1-CG 3.74Å; F201-M205 HydrophobicContact CE2-CG 4.1Å; F201-M205 HydrophobicContact CG-CG 4.32Å; F201-M205 HydrophobicContact CZ-CB 4.28Å; F201-M205 HydrophobicContact CZ-CG 3.78Å; F201-M205 VanDerWaalsContact O-CB 3.26Å; F201-M205 WeakPolarHBondContact O-CB 3.35Å; F201-M205 WeakPolarHBondContact O-CG 3.47Å; F201-M205 PolarHBondContact O-N 3.13Å; F201-L207 WeakPolarHBondContact CD1-O 3.48Å; F201-L207 HydrophobicContact CE1-CD1 4.01Å; F201-L207 WeakPolarHBondContact CE1-O 3.43Å; F201-M209 HydrophobicContact CB-CE 4.29Å; F201-M209 HydrophobicContact CD1-CB 4.04Å; F201-M209 HydrophobicContact CD2-CE 3.96Å; F201-M209 VanDerWaalsContact CE1-CA 3.49Å; F201-M209 HydrophobicContact CE1-CB 4.15Å; F201-M209 HydrophobicContact CE2-CG 4.43Å; F201-M209 HydrophobicContact CG-CB 4.25Å; F201-M209 HydrophobicContact CG-CE 4.19Å; F201-M209 HydrophobicContact CZ-CB 4.45Å; F201-Y212 HydrophobicContact CZ-CD1 4.12Å; F201-Y212 AromaticContact CZ-CG 3.88Å; F201-Y212 HydrophobicContact CZ-CG 3.88Å
202	Q	92.2	Very high	93.1	Very high	104 Å²	104	53.5 Å²	53.5	49%	0.486	26%	0.264	S	S	.	.	H	α-helix	trans	-64.9	-34	-179.4	-172.9	175.3	-0.7	0	0	112.4	M198 I200 Q206 L207	M198-Q202 WeakPolarHBondContact O-CB 3.46Å; M198-Q202 PolarHBondContact O-N 3.41Å; I200-Q202 PolarHBondContact O-N 3.45Å; Q202-Q206 VanDerWaalsContact O-CA 3.25Å; Q202-Q206 WeakPolarHBondContact O-CA 3.44Å; Q202-Q206 PolarHBondContact O-N 3.2Å; Q202-L207 WeakPolarHBondContact CA-O 3.31Å
203	R	88.6	Confident	92.9	Very high	147 Å²	147	52.4 Å²	52.4	56%	0.555	26%	0.258	S	S	*	.	H	α-helix	trans	-66.2	-40.4	176.1	-175.4	-175.5	-59.7	142.8	3.1	112.6	G199 I200 F201 Q206	G199-R203 WeakPolarHBondContact O-CB 3.45Å; G199-R203 PolarHBondContact O-N 3.11Å; G199-R203 VanDerWaalsContact O-N 3.17Å; I200-R203 PolarHBondContact O-N 3.46Å; F201-R203 VanDerWaalsContact C-N 3.29Å; F201-R203 PolarHBondContact O-N 3.21Å; R203-Q206 PolarHBondContact O-NE2 3.33Å; R203-Q206 VanDerWaalsContact O-NE2 3.07Å
204	V	88.9	Confident	92.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-80.4	-44.9	-178.7	177.4	0	0	0	0	111	L77 T90 V158 A162 V166 I200 F201	L77-V204 HydrophobicContact CD1-CG1 4.42Å; T90-V204 WeakPolarHBondContact CB-O 3.25Å; V158-V204 HydrophobicContact CB-CG2 4.46Å; V158-V204 HydrophobicContact CG1-CB 4.45Å; V158-V204 HydrophobicContact CG1-CG1 4.22Å; V158-V204 HydrophobicContact CG1-CG2 3.5Å; V158-V204 HydrophobicContact CG2-CG1 4.39Å; V158-V204 HydrophobicContact CG2-CG2 4.1Å; A162-V204 HydrophobicContact CB-CG2 4.15Å; V166-V204 HydrophobicContact CB-CB 4.33Å; V166-V204 HydrophobicContact CB-CG1 4.28Å; V166-V204 HydrophobicContact CB-CG2 4.44Å; V166-V204 HydrophobicContact CG1-CB 4.12Å; V166-V204 HydrophobicContact CG1-CG1 3.92Å; V166-V204 HydrophobicContact CG2-CB 3.98Å; V166-V204 HydrophobicContact CG2-CG1 4.47Å; V166-V204 HydrophobicContact CG2-CG2 3.86Å; I200-V204 WeakPolarHBondContact O-CG2 3.46Å; I200-V204 PolarHBondContact O-N 3.4Å; F201-V204 PolarHBondContact O-N 3.11Å
205	M	88.1	Confident	92.5	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-92.1	-7.8	-172.1	-59.9	-52.6	-58.7	0	0	113.6	W50 M73 L77 V166 L170 F201 L207	W50-M205 HydrophobicContact CH2-CB 4.35Å; W50-M205 HydrophobicContact CH2-CE 3.7Å; W50-M205 WeakPolarHBondContact CH2-O 3.41Å; W50-M205 HydrophobicContact CZ2-CE 3.36Å; W50-M205 WeakPolarHBondContact CZ3-O 3.35Å; M73-M205 HydrophobicContact CE-CE 4.12Å; M73-M205 HydrophobicContact CG-CE 3.73Å; M73-M205 HydrophobicContact CG-SD 4.25Å; M73-M205 HydrophobicContact SD-CE 4.32Å; L77-M205 HydrophobicContact CD1-SD 4.27Å; V166-M205 HydrophobicContact CG1-CG 3.81Å; V166-M205 HydrophobicContact CG1-SD 3.84Å; L170-M205 HydrophobicContact CD1-CE 4.37Å; L170-M205 HydrophobicContact CD1-SD 3.92Å; L170-M205 HydrophobicContact CD2-CE 4.44Å; F201-M205 HydrophobicContact CD1-CB 4.08Å; F201-M205 HydrophobicContact CD1-CG 4.04Å; F201-M205 HydrophobicContact CD2-CG 4.35Å; F201-M205 HydrophobicContact CE1-CB 3.78Å; F201-M205 HydrophobicContact CE1-CG 3.74Å; F201-M205 HydrophobicContact CE2-CG 4.1Å; F201-M205 HydrophobicContact CG-CG 4.32Å; F201-M205 HydrophobicContact CZ-CB 4.28Å; F201-M205 HydrophobicContact CZ-CG 3.78Å; F201-M205 VanDerWaalsContact O-CB 3.26Å; F201-M205 WeakPolarHBondContact O-CB 3.35Å; F201-M205 WeakPolarHBondContact O-CG 3.47Å; F201-M205 PolarHBondContact O-N 3.13Å; M205-L207 HydrophobicContact CB-CG 4.35Å; M205-L207 PolarHBondContact O-N 2.84Å
206	Q	86.1	Confident	92.2	Very high	106 Å²	106	43.6 Å²	43.6	50%	0.495	21%	0.208	S	C	.	.	S	Bend	trans	56.5	13.3	-175.7	-59	-59.9	-37.7	0	0	115.2	H91 Q202 R203	H91-Q206 PolarHBondContact CD2-NE2 2.74Å; H91-Q206 PolarHBondContact NE2-NE2 3.3Å; Q202-Q206 VanDerWaalsContact O-CA 3.25Å; Q202-Q206 WeakPolarHBondContact O-CA 3.44Å; Q202-Q206 PolarHBondContact O-N 3.2Å; R203-Q206 PolarHBondContact O-NE2 3.33Å; R203-Q206 VanDerWaalsContact O-NE2 3.07Å
207	L	89.1	Confident	92.1	Very high	19 Å²	19	40.9 Å²	40.9	10%	0.099	20%	0.197	C	C	.	.	S	Bend	trans	-147.8	159.2	174.9	60.7	86	0	0	0	110.2	W50 C52 F201 Q202 M205 Q211 Y212	W50-L207 HydrophobicContact CH2-CD2 3.27Å; W50-L207 HydrophobicContact CH2-CG 3.84Å; W50-L207 HydrophobicContact CZ2-CD2 3.8Å; W50-L207 HydrophobicContact CZ3-CD2 4.2Å; C52-L207 WeakPolarHBondContact SG-CD2 3.46Å; F201-L207 WeakPolarHBondContact CD1-O 3.48Å; F201-L207 HydrophobicContact CE1-CD1 4.01Å; F201-L207 WeakPolarHBondContact CE1-O 3.43Å; Q202-L207 WeakPolarHBondContact CA-O 3.31Å; M205-L207 HydrophobicContact CB-CG 4.35Å; M205-L207 PolarHBondContact O-N 2.84Å; L207-Q211 HydrophobicContact CB-CB 4.4Å; L207-Q211 HydrophobicContact CD1-CB 4.16Å; L207-Y212 HydrophobicContact CD1-CD2 4.2Å; L207-Y212 HydrophobicContact CD1-CG 4.33Å
208	T	93.1	Very high	92	Very high	50 Å²	50	40.9 Å²	40.9	31%	0.307	20%	0.197	S	C	.	.			trans	-74.1	149.8	179.4	65.2	0	0	0	0	111.3	K210 Q211 Y212	T208-K210 PolarHBondContact O-N 3.23Å; T208-K210 VanDerWaalsContact O-N 3.14Å; T208-Q211 WeakPolarHBondContact O-CA 3.49Å; T208-Q211 WeakPolarHBondContact O-CB 3.45Å; T208-Q211 PolarHBondContact O-N 3.45Å; T208-Q211 VanDerWaalsContact OG1-CG 3.27Å; T208-Q211 WeakPolarHBondContact OG1-CG 3.49Å; T208-Q211 PolarHBondContact OG1-N 3.2Å; T208-Q211 PolarHBondContact OG1-OE1 2.88Å; T208-Y212 PolarHBondContact O-N 3.22Å
209	M	94.3	Very high	91.6	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.02	19%	0.19	C	C	.	.	H	α-helix	trans	-52.9	-37.5	174.9	-170.3	-177.8	-71.5	0	0	112.6	M169 I173 I183 V186 F201 Y212 I213	M169-M209 HydrophobicContact CG-CE 4.43Å; M169-M209 HydrophobicContact SD-CE 3.69Å; I173-M209 HydrophobicContact CD1-CG 3.75Å; I173-M209 HydrophobicContact CD1-SD 4.38Å; I183-M209 HydrophobicContact CB-SD 4.36Å; I183-M209 HydrophobicContact CG1-SD 4.26Å; I183-M209 HydrophobicContact CG2-SD 4.09Å; V186-M209 HydrophobicContact CB-CE 4.13Å; V186-M209 HydrophobicContact CB-SD 3.6Å; V186-M209 VanDerWaalsContact CB-SD 3.6Å; V186-M209 HydrophobicContact CG1-CE 3.58Å; V186-M209 HydrophobicContact CG1-SD 3.62Å; V186-M209 HydrophobicContact CG2-SD 3.77Å; F201-M209 HydrophobicContact CB-CE 4.29Å; F201-M209 HydrophobicContact CD1-CB 4.04Å; F201-M209 HydrophobicContact CD2-CE 3.96Å; F201-M209 VanDerWaalsContact CE1-CA 3.49Å; F201-M209 HydrophobicContact CE1-CB 4.15Å; F201-M209 HydrophobicContact CE2-CG 4.43Å; F201-M209 HydrophobicContact CG-CB 4.25Å; F201-M209 HydrophobicContact CG-CE 4.19Å; F201-M209 HydrophobicContact CZ-CB 4.45Å; M209-Y212 WeakPolarHBondContact O-CB 3.15Å; M209-Y212 PolarHBondContact O-N 2.99Å; M209-I213 HydrophobicContact CG-CD1 4.04Å; M209-I213 VanDerWaalsContact O-CG1 3.31Å; M209-I213 WeakPolarHBondContact O-CG1 3.43Å; M209-I213 PolarHBondContact O-N 3.45Å
210	K	93.3	Very high	91.5	Very high	131 Å²	131	39.6 Å²	39.6	57%	0.57	18%	0.183	S	C	*	.	H	α-helix	trans	-63.9	-42	175.2	-174.7	177.5	179.5	-179.5	0	112.5	T208 Y212 T214	T208-K210 PolarHBondContact O-N 3.23Å; T208-K210 VanDerWaalsContact O-N 3.14Å; K210-Y212 VanDerWaalsContact C-N 3.32Å; K210-T214 VanDerWaalsContact O-CB 3.29Å; K210-T214 WeakPolarHBondContact O-CB 3.49Å; K210-T214 PolarHBondContact O-N 3.24Å; K210-T214 PolarHBondContact O-OG1 3.27Å
211	Q	91.5	Very high	91.6	Very high	89 Å²	89	39.5 Å²	39.5	42%	0.416	18%	0.182	S	C	.	.	H	α-helix	trans	-62.3	-42.2	174.4	-76	163	-51.3	0	0	110.6	L207 T208 T214 A215	L207-Q211 HydrophobicContact CB-CB 4.4Å; L207-Q211 HydrophobicContact CD1-CB 4.16Å; T208-Q211 WeakPolarHBondContact O-CA 3.49Å; T208-Q211 WeakPolarHBondContact O-CB 3.45Å; T208-Q211 PolarHBondContact O-N 3.45Å; T208-Q211 VanDerWaalsContact OG1-CG 3.27Å; T208-Q211 WeakPolarHBondContact OG1-CG 3.49Å; T208-Q211 PolarHBondContact OG1-N 3.2Å; T208-Q211 PolarHBondContact OG1-OE1 2.88Å; Q211-T214 PolarHBondContact O-N 3.43Å; Q211-A215 VanDerWaalsContact O-CB 3.25Å; Q211-A215 WeakPolarHBondContact O-CB 3.48Å; Q211-A215 PolarHBondContact O-N 3.06Å
212	Y	91.6	Very high	91.5	Very high	8 Å²	8	41.5 Å²	41.5	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-50.9	178.1	-168.7	-107.8	0	0	0	112.7	L170 I173 F201 L207 T208 M209 K210 T214 A215 M216	L170-Y212 HydrophobicContact CD2-CD1 3.67Å; L170-Y212 HydrophobicContact CD2-CD2 4.34Å; L170-Y212 HydrophobicContact CD2-CE1 3.22Å; L170-Y212 HydrophobicContact CD2-CE2 3.96Å; L170-Y212 HydrophobicContact CD2-CG 4.22Å; I173-Y212 HydrophobicContact CD1-CD1 4.19Å; I173-Y212 HydrophobicContact CG2-CD1 3.94Å; I173-Y212 HydrophobicContact CG2-CE1 4.03Å; F201-Y212 HydrophobicContact CZ-CD1 4.12Å; F201-Y212 AromaticContact CZ-CG 3.88Å; F201-Y212 HydrophobicContact CZ-CG 3.88Å; L207-Y212 HydrophobicContact CD1-CD2 4.2Å; L207-Y212 HydrophobicContact CD1-CG 4.33Å; T208-Y212 PolarHBondContact O-N 3.22Å; M209-Y212 WeakPolarHBondContact O-CB 3.15Å; M209-Y212 PolarHBondContact O-N 2.99Å; K210-Y212 VanDerWaalsContact C-N 3.32Å; Y212-T214 VanDerWaalsContact C-N 3.3Å; Y212-T214 PolarHBondContact O-N 3.46Å; Y212-A215 WeakPolarHBondContact O-CA 3.34Å; Y212-A215 VanDerWaalsContact O-CB 3.23Å; Y212-A215 WeakPolarHBondContact O-CB 3.39Å; Y212-A215 PolarHBondContact O-N 2.85Å; Y212-A215 VanDerWaalsContact O-N 3.09Å; Y212-M216 HydrophobicContact CD1-CG 4.38Å; Y212-M216 HydrophobicContact CD1-SD 4.03Å; Y212-M216 HydrophobicContact CE1-CG 4.01Å; Y212-M216 HydrophobicContact CE1-SD 3.34Å; Y212-M216 WeakPolarHBondContact CE1-SD 3.27Å; Y212-M216 PolarHBondContact O-N 2.98Å
213	I	93.4	Very high	91.3	Very high	10 Å²	10	38.7 Å²	38.7	5%	0.051	18%	0.184	C	C	.	.	H	α-helix	trans	-58.6	-46.8	177.6	-67.1	163.2	0	0	0	109.9	I173 L181 M209 A215 M216 R217	I173-I213 HydrophobicContact CD1-CG1 4.32Å; I173-I213 HydrophobicContact CG1-CD1 4.47Å; I173-I213 HydrophobicContact CG1-CG1 4.23Å; I173-I213 HydrophobicContact CG2-CG1 3.71Å; L181-I213 HydrophobicContact CD2-CD1 3.9Å; L181-I213 HydrophobicContact CD2-CG1 4.17Å; L181-I213 HydrophobicContact CG-CD1 4.29Å; M209-I213 HydrophobicContact CG-CD1 4.04Å; M209-I213 VanDerWaalsContact O-CG1 3.31Å; M209-I213 WeakPolarHBondContact O-CG1 3.43Å; M209-I213 PolarHBondContact O-N 3.45Å; I213-A215 PolarHBondContact O-N 2.94Å; I213-M216 PolarHBondContact O-N 3.23Å; I213-R217 HydrophobicContact CG2-CG 4.46Å; I213-R217 VanDerWaalsContact O-CG 3.31Å; I213-R217 WeakPolarHBondContact O-CG 3.29Å; I213-R217 PolarHBondContact O-N 2.89Å
214	T	92.9	Very high	91.6	Very high	23 Å²	23	32.8 Å²	32.8	14%	0.141	16%	0.164	C	C	.	.	H	α-helix	trans	-58.8	-41.6	177.7	-57	0	0	0	0	111.1	K210 Q211 Y212 R217 I218 T250 Y254	K210-T214 VanDerWaalsContact O-CB 3.29Å; K210-T214 WeakPolarHBondContact O-CB 3.49Å; K210-T214 PolarHBondContact O-N 3.24Å; K210-T214 PolarHBondContact O-OG1 3.27Å; Q211-T214 PolarHBondContact O-N 3.43Å; Y212-T214 VanDerWaalsContact C-N 3.3Å; Y212-T214 PolarHBondContact O-N 3.46Å; T214-R217 PolarHBondContact O-N 2.85Å; T214-I218 WeakPolarHBondContact O-CG1 3.44Å; T214-I218 PolarHBondContact O-N 3.16Å; T214-T250 HydrophobicContact CG2-CG2 3.32Å; T214-Y254 HydrophobicContact CG2-CD2 4.33Å; T214-Y254 HydrophobicContact CG2-CE2 3.59Å
215	A	90.1	Very high	91.9	Very high	4 Å²	4	32.8 Å²	32.8	3%	0.033	16%	0.164	C	C	.	.	H	α-helix	trans	-59.6	-49.5	177.5	0	0	0	0	0	112.2	W16 Q211 Y212 I213 R217 I218 N219	W16-A215 HydrophobicContact CE3-CB 4.29Å; W16-A215 VanDerWaalsContact CH2-CA 3.44Å; W16-A215 HydrophobicContact CH2-CB 3.6Å; W16-A215 HydrophobicContact CZ3-CB 3.2Å; Q211-A215 VanDerWaalsContact O-CB 3.25Å; Q211-A215 WeakPolarHBondContact O-CB 3.48Å; Q211-A215 PolarHBondContact O-N 3.06Å; Y212-A215 WeakPolarHBondContact O-CA 3.34Å; Y212-A215 VanDerWaalsContact O-CB 3.23Å; Y212-A215 WeakPolarHBondContact O-CB 3.39Å; Y212-A215 PolarHBondContact O-N 2.85Å; Y212-A215 VanDerWaalsContact O-N 3.09Å; I213-A215 PolarHBondContact O-N 2.94Å; A215-R217 PolarHBondContact O-N 3.2Å; A215-I218 PolarHBondContact O-N 3.25Å; A215-N219 PolarHBondContact O-N 2.83Å; A215-N219 VanDerWaalsContact O-N 3.13Å; A215-N219 PolarHBondContact O-ND2 3.43Å; A215-N219 VanDerWaalsContact O-ND2 3.13Å
216	M	91.1	Very high	91.9	Very high	32 Å²	32	34.1 Å²	34.1	16%	0.158	17%	0.173	C	C	.	.	H	α-helix	trans	-59.4	-45.5	176.5	-67.4	-167.4	69.6	0	0	112.1	I173 A174 Y177 Y212 I213 I218 N219 H220	I173-M216 HydrophobicContact CG2-SD 3.76Å; A174-M216 HydrophobicContact CB-CE 4.08Å; Y177-M216 HydrophobicContact CD1-CE 3.71Å; Y177-M216 HydrophobicContact CD1-SD 4.48Å; Y177-M216 HydrophobicContact CD2-CB 3.92Å; Y177-M216 HydrophobicContact CE1-CE 3.94Å; Y177-M216 HydrophobicContact CE2-CB 4.4Å; Y177-M216 HydrophobicContact CG-CB 4.04Å; Y177-M216 HydrophobicContact CG-CE 4.2Å; Y212-M216 HydrophobicContact CD1-CG 4.38Å; Y212-M216 HydrophobicContact CD1-SD 4.03Å; Y212-M216 HydrophobicContact CE1-CG 4.01Å; Y212-M216 HydrophobicContact CE1-SD 3.34Å; Y212-M216 WeakPolarHBondContact CE1-SD 3.27Å; Y212-M216 PolarHBondContact O-N 2.98Å; I213-M216 PolarHBondContact O-N 3.23Å; M216-I218 PolarHBondContact O-N 2.87Å; M216-N219 PolarHBondContact O-N 2.82Å; M216-H220 PolarHBondContact O-N 2.73Å
217	R	94.2	Very high	92.1	Very high	34 Å²	34	33.7 Å²	33.7	13%	0.128	17%	0.174	C	C	.	.	H	α-helix	trans	-60	-43.5	177.8	-66.6	-177.3	172.3	166.4	2.9	112.4	Y177 Q179 I213 T214 A215 N219 H220 V221 A239 G240 F241	Y177-R217 HydrophobicContact CD2-CG 3.96Å; Y177-R217 VanDerWaalsContact O-CZ 3.3Å; Y177-R217 PolarHBondContact O-NE 3.11Å; Y177-R217 PolarHBondContact O-NH2 2.89Å; Q179-R217 PolarHBondContact O-NH2 2.87Å; I213-R217 HydrophobicContact CG2-CG 4.46Å; I213-R217 VanDerWaalsContact O-CG 3.31Å; I213-R217 WeakPolarHBondContact O-CG 3.29Å; I213-R217 PolarHBondContact O-N 2.89Å; T214-R217 PolarHBondContact O-N 2.85Å; A215-R217 PolarHBondContact O-N 3.2Å; R217-N219 VanDerWaalsContact C-N 3.32Å; R217-N219 PolarHBondContact O-N 3.5Å; R217-H220 PolarHBondContact O-N 2.89Å; R217-V221 VanDerWaalsContact O-CG2 3.31Å; R217-V221 WeakPolarHBondContact O-CG2 3.33Å; R217-V221 PolarHBondContact O-N 2.79Å; R217-A239 WeakPolarHBondContact CB-O 3.32Å; R217-A239 WeakPolarHBondContact CD-O 3.35Å; R217-A239 WeakPolarHBondContact CG-O 3.44Å; R217-A239 PolarHBondContact NE-O 2.86Å; R217-G240 VanDerWaalsContact CZ-O 3.29Å; R217-G240 PolarHBondContact NH1-O 2.83Å; R217-G240 VanDerWaalsContact NH1-O 3.12Å; R217-F241 HydrophobicContact CB-CD2 4.35Å; R217-F241 HydrophobicContact CB-CE2 3.54Å; R217-F241 HydrophobicContact CB-CZ 3.8Å
218	I	93.7	Very high	92.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.1	-39.6	177.8	-70.3	-60.9	0	0	0	111.5	W16 T214 A215 M216 V221 R222 F241 T250 F251 Y254 V255	W16-I218 HydrophobicContact CH2-CB 4.34Å; W16-I218 HydrophobicContact CH2-CG2 4.35Å; W16-I218 HydrophobicContact CZ2-CG2 4.17Å; T214-I218 WeakPolarHBondContact O-CG1 3.44Å; T214-I218 PolarHBondContact O-N 3.16Å; A215-I218 PolarHBondContact O-N 3.25Å; M216-I218 PolarHBondContact O-N 2.87Å; I218-V221 PolarHBondContact O-N 3.28Å; I218-R222 WeakPolarHBondContact O-CG 3.43Å; I218-R222 PolarHBondContact O-N 2.81Å; I218-F241 HydrophobicContact CD1-CE2 4.18Å; I218-F241 HydrophobicContact CD1-CZ 3.66Å; I218-F241 HydrophobicContact CG1-CZ 4.14Å; I218-T250 HydrophobicContact CD1-CG2 4.03Å; I218-T250 HydrophobicContact CG1-CG2 4.17Å; I218-F251 HydrophobicContact CD1-CB 4.01Å; I218-F251 HydrophobicContact CD1-CD2 3.89Å; I218-F251 HydrophobicContact CD1-CG 4.37Å; I218-Y254 HydrophobicContact CG1-CD2 4.46Å; I218-Y254 HydrophobicContact CG1-CG 4.38Å; I218-V255 HydrophobicContact CG2-CG2 3.82Å
219	N	89.4	Confident	92.3	Very high	28 Å²	28	38.4 Å²	38.4	15%	0.15	20%	0.198	C	C	.	.	H	α-helix	trans	-68	-39.8	177.2	-69.3	-38.6	0	0	0	112.5	W16 H17 A215 M216 R217 V221 R222 A223	W16-N219 PolarHBondContact O-OD1 2.96Å; H17-N219 WeakPolarHBondContact CA-ND2 3.34Å; A215-N219 PolarHBondContact O-N 2.83Å; A215-N219 VanDerWaalsContact O-N 3.13Å; A215-N219 PolarHBondContact O-ND2 3.43Å; A215-N219 VanDerWaalsContact O-ND2 3.13Å; M216-N219 PolarHBondContact O-N 2.82Å; R217-N219 VanDerWaalsContact C-N 3.32Å; R217-N219 PolarHBondContact O-N 3.5Å; N219-V221 VanDerWaalsContact C-N 3.33Å; N219-V221 PolarHBondContact O-N 3.49Å; N219-R222 WeakPolarHBondContact O-CB 3.22Å; N219-R222 PolarHBondContact O-N 3.16Å; N219-R222 VanDerWaalsContact O-N 3.16Å; N219-R222 PolarHBondContact OD1-NH1 3.37Å; N219-R222 VanDerWaalsContact OD1-NH1 3.09Å; N219-A223 PolarHBondContact O-N 3Å
220	H	91.9	Very high	92.3	Very high	41 Å²	41	43.2 Å²	43.2	19%	0.19	22%	0.219	C	C	.	.	H	α-helix	trans	-61.1	-42.8	172.6	-172.7	-173.9	0	0	0	111.5	Y177 M216 R217 R222 A223 L224	Y177-H220 HydrophobicContact CE2-CB 3.72Å; Y177-H220 AromaticContact CE2-CG 3.97Å; Y177-H220 AromaticContact CE2-ND1 3.52Å; Y177-H220 AromaticContact CZ-ND1 3.72Å; Y177-H220 PolarHBondContact OH-ND1 3.04Å; Y177-H220 VanDerWaalsContact OH-ND1 3.17Å; M216-H220 PolarHBondContact O-N 2.73Å; R217-H220 PolarHBondContact O-N 2.89Å; H220-R222 VanDerWaalsContact C-N 3.33Å; H220-R222 PolarHBondContact O-N 3.39Å; H220-A223 PolarHBondContact O-N 2.88Å; H220-L224 WeakPolarHBondContact O-CG 3.23Å; H220-L224 PolarHBondContact O-N 3.42Å
221	V	94.8	Very high	92.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.6	-44.6	173.3	170.2	0	0	0	0	111.3	R217 I218 N219 A223 L224 L225 I235 A239 F241 F247 F251	R217-V221 VanDerWaalsContact O-CG2 3.31Å; R217-V221 WeakPolarHBondContact O-CG2 3.33Å; R217-V221 PolarHBondContact O-N 2.79Å; I218-V221 PolarHBondContact O-N 3.28Å; N219-V221 VanDerWaalsContact C-N 3.33Å; N219-V221 PolarHBondContact O-N 3.49Å; V221-A223 VanDerWaalsContact C-N 3.32Å; V221-A223 PolarHBondContact O-N 3.12Å; V221-L224 PolarHBondContact O-N 2.87Å; V221-L225 HydrophobicContact CG1-CD1 3.63Å; V221-L225 HydrophobicContact CG1-CG 3.95Å; V221-L225 WeakPolarHBondContact O-CB 3.27Å; V221-L225 VanDerWaalsContact O-CG 3.22Å; V221-L225 WeakPolarHBondContact O-CG 3.19Å; V221-L225 PolarHBondContact O-N 3.13Å; V221-I235 HydrophobicContact CB-CG2 4.18Å; V221-I235 HydrophobicContact CG1-CG2 3.83Å; V221-I235 HydrophobicContact CG2-CG2 4.09Å; V221-A239 HydrophobicContact CG2-CB 3.41Å; V221-A239 VanDerWaalsContact CG2-CB 3.41Å; V221-F241 HydrophobicContact CG2-CD2 4.38Å; V221-F241 HydrophobicContact CG2-CE2 4.04Å; V221-F247 HydrophobicContact CB-CE2 4.42Å; V221-F247 HydrophobicContact CG1-CE2 3.82Å; V221-F247 HydrophobicContact CG1-CZ 3.93Å; V221-F247 HydrophobicContact CG2-CE2 3.92Å; V221-F251 HydrophobicContact CB-CE2 4.41Å; V221-F251 HydrophobicContact CG1-CD2 3.82Å; V221-F251 HydrophobicContact CG1-CE2 3.6Å
222	R	92.3	Very high	92.7	Very high	42 Å²	42	36.5 Å²	36.5	16%	0.158	20%	0.196	C	C	.	.	H	α-helix	trans	-59.9	-41.4	179.3	-75.2	171.8	64.1	-157.4	1.2	112.2	W16 I218 N219 H220 S226 F251 Y262	W16-R222 PolarHBondContact O-NH1 3.34Å; I218-R222 WeakPolarHBondContact O-CG 3.43Å; I218-R222 PolarHBondContact O-N 2.81Å; N219-R222 WeakPolarHBondContact O-CB 3.22Å; N219-R222 PolarHBondContact O-N 3.16Å; N219-R222 VanDerWaalsContact O-N 3.16Å; N219-R222 PolarHBondContact OD1-NH1 3.37Å; N219-R222 VanDerWaalsContact OD1-NH1 3.09Å; H220-R222 VanDerWaalsContact C-N 3.33Å; H220-R222 PolarHBondContact O-N 3.39Å; R222-S226 PolarHBondContact O-N 2.88Å; R222-S226 PolarHBondContact O-OG 3.16Å; R222-F251 HydrophobicContact CG-CE2 4.19Å; R222-F251 HydrophobicContact CG-CZ 4.47Å; R222-Y262 HydrophobicContact CB-CE1 3.94Å; R222-Y262 HydrophobicContact CG-CE1 4.02Å; R222-Y262 HydrophobicContact CG-CE2 4.09Å; R222-Y262 PolarHBondContact NE-OH 3.48Å; R222-Y262 VanDerWaalsContact NE-OH 3.11Å
223	A	89.1	Confident	92.8	Very high	44 Å²	44	40.2 Å²	40.2	36%	0.364	22%	0.216	S	C	.	.	H	α-helix	trans	-62.3	-54.5	174.5	0	0	0	0	0	110.7	N219 H220 V221 L225 S226 D227	N219-A223 PolarHBondContact O-N 3Å; H220-A223 PolarHBondContact O-N 2.88Å; V221-A223 VanDerWaalsContact C-N 3.32Å; V221-A223 PolarHBondContact O-N 3.12Å; A223-L225 VanDerWaalsContact C-N 3.3Å; A223-L225 PolarHBondContact O-N 3.29Å; A223-S226 WeakPolarHBondContact O-CA 3.42Å; A223-S226 WeakPolarHBondContact O-CB 3.26Å; A223-S226 PolarHBondContact O-N 2.9Å; A223-D227 PolarHBondContact O-N 2.95Å
224	L	93.9	Very high	92.9	Very high	24 Å²	24	43.4 Å²	43.4	13%	0.126	23%	0.233	C	C	.	.	H	α-helix	trans	-59.3	-36.9	179.9	-69.8	175.2	0	0	0	113.7	H220 V221 S226 T228 I235 T238	H220-L224 WeakPolarHBondContact O-CG 3.23Å; H220-L224 PolarHBondContact O-N 3.42Å; V221-L224 PolarHBondContact O-N 2.87Å; L224-S226 PolarHBondContact O-N 3.09Å; L224-T228 HydrophobicContact CD2-CG2 4.23Å; L224-T228 WeakPolarHBondContact O-CB 3.35Å; L224-T228 PolarHBondContact O-N 3.37Å; L224-T228 PolarHBondContact O-OG1 3.41Å; L224-I235 HydrophobicContact CB-CB 4.47Å; L224-I235 HydrophobicContact CB-CD1 4.07Å; L224-I235 HydrophobicContact CB-CG1 4.02Å; L224-I235 HydrophobicContact CB-CG2 3.73Å; L224-I235 HydrophobicContact CD1-CG2 3.94Å; L224-T238 HydrophobicContact CD1-CG2 4.03Å
225	L	94.9	Very high	93.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.4	-26	175.3	-74.2	173.6	0	0	0	112.7	V221 A223 I232 I235 F251 P259 Y262 R263	V221-L225 HydrophobicContact CG1-CD1 3.63Å; V221-L225 HydrophobicContact CG1-CG 3.95Å; V221-L225 WeakPolarHBondContact O-CB 3.27Å; V221-L225 VanDerWaalsContact O-CG 3.22Å; V221-L225 WeakPolarHBondContact O-CG 3.19Å; V221-L225 PolarHBondContact O-N 3.13Å; A223-L225 VanDerWaalsContact C-N 3.3Å; A223-L225 PolarHBondContact O-N 3.29Å; L225-I232 HydrophobicContact CD2-CG1 4.17Å; L225-I235 HydrophobicContact CD2-CD1 3.81Å; L225-I235 HydrophobicContact CG-CD1 4.3Å; L225-F251 HydrophobicContact CD1-CE2 3.77Å; L225-F251 HydrophobicContact CD1-CZ 3.71Å; L225-P259 HydrophobicContact CD1-CB 4.02Å; L225-P259 HydrophobicContact CD2-CB 4.42Å; L225-Y262 HydrophobicContact CB-CD1 4.01Å; L225-Y262 HydrophobicContact CB-CE1 4.35Å; L225-Y262 HydrophobicContact CD1-CD1 3.82Å; L225-Y262 HydrophobicContact CD1-CG 4.46Å; L225-R263 HydrophobicContact CB-CB 4.46Å; L225-R263 HydrophobicContact CD2-CB 4.34Å; L225-R263 WeakPolarHBondContact O-CG 3.13Å
226	S	89.8	Confident	93.3	Very high	27 Å²	27	42.2 Å²	42.2	19%	0.189	23%	0.226	C	C	.	.	H	α-helix	trans	-91.3	-29	-178.9	-51.1	0	0	0	0	112.3	R222 A223 L224 S266	R222-S226 PolarHBondContact O-N 2.88Å; R222-S226 PolarHBondContact O-OG 3.16Å; A223-S226 WeakPolarHBondContact O-CA 3.42Å; A223-S226 WeakPolarHBondContact O-CB 3.26Å; A223-S226 PolarHBondContact O-N 2.9Å; L224-S226 PolarHBondContact O-N 3.09Å; S226-S266 VanDerWaalsContact OG-CB 3.25Å; S226-S266 WeakPolarHBondContact OG-CB 3.47Å; S226-S266 PolarHBondContact OG-OG 2.84Å; S226-S266 VanDerWaalsContact OG-OG 3.13Å
227	D	89.3	Confident	93.4	Very high	97 Å²	97	45.3 Å²	45.3	52%	0.519	24%	0.243	S	C	.	.	H	α-helix	trans	-103.4	-13	-172.4	-64.8	-36.1	0	0	0	114.6	A223 R270	A223-D227 PolarHBondContact O-N 2.95Å; D227-R270 IonicContact OD1-CZ 3.53Å; D227-R270 IonicContact OD1-NH1 2.67Å; D227-R270 PolarHBondContact OD1-NH1 2.67Å; D227-R270 IonicContact OD1-NH2 3.73Å
228	T	92.8	Very high	93.4	Very high	33 Å²	33	46.5 Å²	46.5	20%	0.202	25%	0.254	C	S	.	.			trans	-138.6	154.8	-172.7	80.2	0	0	0	0	112.7	L224	L224-T228 HydrophobicContact CD2-CG2 4.23Å; L224-T228 WeakPolarHBondContact O-CB 3.35Å; L224-T228 PolarHBondContact O-N 3.37Å; L224-T228 PolarHBondContact O-OG1 3.41Å
229	D	93.3	Very high	93.4	Very high	135 Å²	135	46.5 Å²	46.5	72%	0.722	25%	0.254	S	S	*	.			trans	-96.5	10.9	172.1	-63.7	-43.5	0	0	0	113.2	Q267	D229-Q267 PolarHBondContact OD1-NE2 3.47Å
230	K	95.5	Very high	93.6	Very high	105 Å²	105	45.5 Å²	45.5	46%	0.457	25%	0.25	S	C	.	.			trans	-52.2	154.2	175.8	-70.1	-176.8	179.1	-179.2	0	110.9	I235 R263	K230-I235 HydrophobicContact CB-CD1 4.2Å; K230-I235 HydrophobicContact CB-CG1 3.87Å; K230-R263 VanDerWaalsContact O-CZ 3.29Å; K230-R263 PolarHBondContact O-NH1 2.99Å; K230-R263 VanDerWaalsContact O-NH1 3.07Å; K230-R263 PolarHBondContact O-NH2 3.38Å
231	S	96.5	Very high	93.7	Very high	51 Å²	51	44.2 Å²	44.2	36%	0.357	24%	0.244	S	C	.	.			trans	-63.1	149.8	177.3	84.1	0	0	0	0	110.6	L233 D234 I235	S231-L233 PolarHBondContact O-N 3.25Å; S231-D234 WeakPolarHBondContact CB-OD2 3.29Å; S231-D234 PolarHBondContact O-N 3.43Å; S231-D234 VanDerWaalsContact O-N 3.16Å; S231-D234 WeakPolarHBondContact OG-CB 3.35Å; S231-D234 PolarHBondContact OG-N 3.47Å; S231-D234 PolarHBondContact OG-OD2 3.17Å; S231-I235 WeakPolarHBondContact O-CG1 3.17Å; S231-I235 PolarHBondContact O-N 2.85Å
232	I	95.8	Very high	93.4	Very high	28 Å²	28	53.2 Å²	53.2	14%	0.144	28%	0.278	C	S	.	.	H	α-helix	trans	-58.2	-34.1	177.6	-68.2	167.2	0	0	0	110.6	L225 A236 F247 Y248 P259 Q260	L225-I232 HydrophobicContact CD2-CG1 4.17Å; I232-A236 WeakPolarHBondContact O-CB 3.42Å; I232-A236 PolarHBondContact O-N 2.92Å; I232-F247 HydrophobicContact CG2-CE1 3.58Å; I232-F247 HydrophobicContact CG2-CZ 4.19Å; I232-Y248 HydrophobicContact CG2-CE1 3.99Å; I232-Y248 WeakPolarHBondContact CG2-OH 3.42Å; I232-P259 HydrophobicContact CD1-CB 4.17Å; I232-P259 HydrophobicContact CG1-CB 4.37Å; I232-P259 HydrophobicContact CG2-CB 3.76Å; I232-P259 HydrophobicContact CG2-CG 4.19Å; I232-Q260 HydrophobicContact CD1-CB 3.91Å
233	L	94.6	Very high	93.4	Very high	86 Å²	86	53.6 Å²	53.6	45%	0.45	29%	0.287	S	S	.	.	H	α-helix	trans	-67.8	-44.9	177.5	-173.4	64	0	0	0	111.5	S231 I235 A236 L237	S231-L233 PolarHBondContact O-N 3.25Å; L233-I235 VanDerWaalsContact C-N 3.31Å; L233-I235 PolarHBondContact O-N 3.43Å; L233-A236 PolarHBondContact O-N 3.34Å; L233-L237 HydrophobicContact CG-CD1 4.31Å; L233-L237 WeakPolarHBondContact O-CG 3.35Å; L233-L237 PolarHBondContact O-N 3.15Å
234	D	95.4	Very high	93.5	Very high	78 Å²	78	54 Å²	54	42%	0.417	29%	0.287	S	S	.	.	H	α-helix	trans	-63.4	-39.6	177.2	-60.8	-35.9	0	0	0	111.3	S231 L237 T238	S231-D234 WeakPolarHBondContact CB-OD2 3.29Å; S231-D234 PolarHBondContact O-N 3.43Å; S231-D234 VanDerWaalsContact O-N 3.16Å; S231-D234 WeakPolarHBondContact OG-CB 3.35Å; S231-D234 PolarHBondContact OG-N 3.47Å; S231-D234 PolarHBondContact OG-OD2 3.17Å; D234-L237 PolarHBondContact O-N 3.5Å; D234-T238 VanDerWaalsContact O-CB 3.29Å; D234-T238 WeakPolarHBondContact O-CB 3.44Å; D234-T238 PolarHBondContact O-N 2.9Å; D234-T238 PolarHBondContact O-OG1 2.86Å
235	I	96	Very high	93.4	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.9	-44.9	175.4	-70.6	174.2	0	0	0	110.8	V221 L224 L225 K230 S231 L233 L237 T238 A239	V221-I235 HydrophobicContact CB-CG2 4.18Å; V221-I235 HydrophobicContact CG1-CG2 3.83Å; V221-I235 HydrophobicContact CG2-CG2 4.09Å; L224-I235 HydrophobicContact CB-CB 4.47Å; L224-I235 HydrophobicContact CB-CD1 4.07Å; L224-I235 HydrophobicContact CB-CG1 4.02Å; L224-I235 HydrophobicContact CB-CG2 3.73Å; L224-I235 HydrophobicContact CD1-CG2 3.94Å; L225-I235 HydrophobicContact CD2-CD1 3.81Å; L225-I235 HydrophobicContact CG-CD1 4.3Å; K230-I235 HydrophobicContact CB-CD1 4.2Å; K230-I235 HydrophobicContact CB-CG1 3.87Å; S231-I235 WeakPolarHBondContact O-CG1 3.17Å; S231-I235 PolarHBondContact O-N 2.85Å; L233-I235 VanDerWaalsContact C-N 3.31Å; L233-I235 PolarHBondContact O-N 3.43Å; I235-L237 VanDerWaalsContact C-N 3.34Å; I235-L237 PolarHBondContact O-N 2.98Å; I235-T238 PolarHBondContact O-N 2.9Å; I235-A239 WeakPolarHBondContact O-CB 3.49Å; I235-A239 PolarHBondContact O-N 2.7Å
236	A	95.2	Very high	93.3	Very high	2 Å²	2	65 Å²	65	2%	0.017	34%	0.34	C	S	.	.	H	α-helix	trans	-61.3	-43.9	177.7	0	0	0	0	0	111.7	I232 L233 A239 G240 F241 F247	I232-A236 WeakPolarHBondContact O-CB 3.42Å; I232-A236 PolarHBondContact O-N 2.92Å; L233-A236 PolarHBondContact O-N 3.34Å; A236-A239 PolarHBondContact O-N 2.88Å; A236-G240 PolarHBondContact O-N 3.24Å; A236-F241 HydrophobicContact CB-CB 4.32Å; A236-F241 WeakPolarHBondContact O-CB 3.34Å; A236-F241 PolarHBondContact O-N 3.14Å; A236-F247 HydrophobicContact CB-CB 4.16Å; A236-F247 HydrophobicContact CB-CD1 3.6Å; A236-F247 HydrophobicContact CB-CD2 3.8Å; A236-F247 HydrophobicContact CB-CE1 3.9Å; A236-F247 HydrophobicContact CB-CE2 4.09Å; A236-F247 HydrophobicContact CB-CG 3.54Å; A236-F247 HydrophobicContact CB-CZ 4.13Å
237	L	93.8	Very high	93.6	Very high	97 Å²	97	63.7 Å²	63.7	51%	0.508	33%	0.331	S	S	.	.	H	α-helix	trans	-64.1	-45.8	176.2	-71.5	171.2	0	0	0	111.7	L233 D234 I235 A239 G240	L233-L237 HydrophobicContact CG-CD1 4.31Å; L233-L237 WeakPolarHBondContact O-CG 3.35Å; L233-L237 PolarHBondContact O-N 3.15Å; D234-L237 PolarHBondContact O-N 3.5Å; I235-L237 VanDerWaalsContact C-N 3.34Å; I235-L237 PolarHBondContact O-N 2.98Å; L237-A239 PolarHBondContact O-N 2.95Å; L237-G240 PolarHBondContact O-N 3.04Å
238	T	93.4	Very high	93.9	Very high	58 Å²	58	64.1 Å²	64.1	36%	0.356	33%	0.326	S	S	.	.	H	α-helix	trans	-58.9	-35.9	176.4	-57.7	0	0	0	0	111.3	L224 D234 I235 G240	L224-T238 HydrophobicContact CD1-CG2 4.03Å; D234-T238 VanDerWaalsContact O-CB 3.29Å; D234-T238 WeakPolarHBondContact O-CB 3.44Å; D234-T238 PolarHBondContact O-N 2.9Å; D234-T238 PolarHBondContact O-OG1 2.86Å; I235-T238 PolarHBondContact O-N 2.9Å; T238-G240 PolarHBondContact O-N 3.34Å
239	A	93.8	Very high	94	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	11	176.1	0	0	0	0	0	113.8	R217 V221 I235 A236 L237 F241	R217-A239 WeakPolarHBondContact CB-O 3.32Å; R217-A239 WeakPolarHBondContact CD-O 3.35Å; R217-A239 WeakPolarHBondContact CG-O 3.44Å; R217-A239 PolarHBondContact NE-O 2.86Å; V221-A239 HydrophobicContact CG2-CB 3.41Å; V221-A239 VanDerWaalsContact CG2-CB 3.41Å; I235-A239 WeakPolarHBondContact O-CB 3.49Å; I235-A239 PolarHBondContact O-N 2.7Å; A236-A239 PolarHBondContact O-N 2.88Å; L237-A239 PolarHBondContact O-N 2.95Å; A239-F241 HydrophobicContact CB-CD2 4.23Å; A239-F241 HydrophobicContact CB-CE2 4.46Å
240	G	93.2	Very high	94.1	Very high	7 Å²	7	60.7 Å²	60.7	7%	0.072	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	82	11.6	175.1	0	0	0	0	0	115.9	D178 R217 A236 L237 T238 R242	D178-G240 WeakPolarHBondContact O-CA 3.39Å; D178-G240 PolarHBondContact O-N 3Å; R217-G240 VanDerWaalsContact CZ-O 3.29Å; R217-G240 PolarHBondContact NH1-O 2.83Å; R217-G240 VanDerWaalsContact NH1-O 3.12Å; A236-G240 PolarHBondContact O-N 3.24Å; L237-G240 PolarHBondContact O-N 3.04Å; T238-G240 PolarHBondContact O-N 3.34Å; G240-R242 PolarHBondContact O-N 3.19Å
241	F	93.7	Very high	94	Very high	15 Å²	15	55.7 Å²	55.7	7%	0.066	29%	0.291	C	S	.	.			trans	-79.9	117.7	172.2	-70.5	-86.9	0	0	0	111.3	R217 I218 V221 A236 A239 F247 T250	R217-F241 HydrophobicContact CB-CD2 4.35Å; R217-F241 HydrophobicContact CB-CE2 3.54Å; R217-F241 HydrophobicContact CB-CZ 3.8Å; I218-F241 HydrophobicContact CD1-CE2 4.18Å; I218-F241 HydrophobicContact CD1-CZ 3.66Å; I218-F241 HydrophobicContact CG1-CZ 4.14Å; V221-F241 HydrophobicContact CG2-CD2 4.38Å; V221-F241 HydrophobicContact CG2-CE2 4.04Å; A236-F241 HydrophobicContact CB-CB 4.32Å; A236-F241 WeakPolarHBondContact O-CB 3.34Å; A236-F241 PolarHBondContact O-N 3.14Å; A239-F241 HydrophobicContact CB-CD2 4.23Å; A239-F241 HydrophobicContact CB-CE2 4.46Å; F241-F247 HydrophobicContact CB-CB 3.95Å; F241-F247 HydrophobicContact CD1-CB 3.99Å; F241-F247 HydrophobicContact CD1-CD2 4.26Å; F241-F247 AromaticContact CD2-CD2 3.67Å; F241-F247 HydrophobicContact CD2-CD2 3.67Å; F241-F247 HydrophobicContact CD2-CE2 4.41Å; F241-F247 HydrophobicContact CD2-CG 4.49Å; F241-F247 HydrophobicContact CE1-CD2 4.41Å; F241-F247 AromaticContact CE2-CD2 3.82Å; F241-F247 HydrophobicContact CE2-CD2 3.82Å; F241-F247 HydrophobicContact CE2-CE2 4.34Å; F241-F247 HydrophobicContact CG-CB 3.93Å; F241-F247 AromaticContact CG-CD2 3.9Å; F241-F247 HydrophobicContact CG-CD2 3.9Å; F241-F247 HydrophobicContact CG-CG 4.34Å; F241-F247 HydrophobicContact CZ-CD2 4.21Å; F241-T250 HydrophobicContact CE1-CG2 4.12Å; F241-T250 HydrophobicContact CZ-CG2 4.37Å
242	R	89	Confident	93.9	Very high	189 Å²	189	54.6 Å²	54.6	71%	0.713	29%	0.289	S	S	*	.	S	Bend	trans	-84.8	-4.3	179.8	-58.9	-169.8	-171.8	169.7	6.7	115.5	A180 G240	A180-R242 PolarHBondContact O-NH2 3.06Å; G240-R242 PolarHBondContact O-N 3.19Å
243	S	91.5	Very high	93.7	Very high	50 Å²	50	61.9 Å²	61.9	35%	0.35	32%	0.319	S	S	.	.			trans	-142.1	123	-177.9	164.5	0	0	0	0	109.3	S245 R246 F247	S243-S245 PolarHBondContact O-N 3.01Å; S243-R246 PolarHBondContact O-N 3.44Å; S243-R246 PolarHBondContact OG-N 3.29Å; S243-F247 WeakPolarHBondContact O-CB 3.43Å; S243-F247 PolarHBondContact O-N 3.32Å
244	S	91.7	Very high	93.4	Very high	53 Å²	53	60.8 Å²	60.8	37%	0.371	31%	0.309	S	S	.	.	H	α-helix	trans	-57.7	-47.6	175.7	55.4	0	0	0	0	111.2	R246 F247 Y248	S244-R246 PolarHBondContact O-N 3.21Å; S244-F247 WeakPolarHBondContact O-CB 3.5Å; S244-F247 PolarHBondContact O-N 2.82Å; S244-F247 VanDerWaalsContact O-N 3.16Å; S244-Y248 WeakPolarHBondContact O-CD2 3.47Å; S244-Y248 PolarHBondContact O-N 2.85Å
245	S	92.4	Very high	93.1	Very high	86 Å²	86	58.8 Å²	58.8	60%	0.601	30%	0.3	S	S	*	.	H	α-helix	trans	-59.1	-46.5	178.4	-47.5	0	0	0	0	111.9	S243 F247 Y248 S249	S243-S245 PolarHBondContact O-N 3.01Å; S245-F247 VanDerWaalsContact C-N 3.34Å; S245-F247 PolarHBondContact O-N 2.89Å; S245-Y248 PolarHBondContact O-N 2.85Å; S245-S249 WeakPolarHBondContact O-CB 3.23Å; S245-S249 PolarHBondContact O-N 3.24Å; S245-S249 PolarHBondContact O-OG 3.02Å
246	R	92.6	Very high	92.7	Very high	167 Å²	167	62.1 Å²	62.1	63%	0.63	34%	0.335	S	S	*	.	H	α-helix	trans	-64.6	-41.4	177	-172.5	172.6	-77.1	175.5	-1.5	110.6	S243 S244 S249 T250	S243-R246 PolarHBondContact O-N 3.44Å; S243-R246 PolarHBondContact OG-N 3.29Å; S244-R246 PolarHBondContact O-N 3.21Å; R246-S249 WeakPolarHBondContact CA-OG 3.37Å; R246-S249 PolarHBondContact O-N 2.93Å; R246-S249 PolarHBondContact O-OG 3.16Å; R246-T250 VanDerWaalsContact O-CB 3.25Å; R246-T250 WeakPolarHBondContact O-CB 3.44Å; R246-T250 PolarHBondContact O-N 3.31Å; R246-T250 PolarHBondContact O-OG1 3.1Å
247	F	95.9	Very high	92.5	Very high	1 Å²	1	64.6 Å²	64.6	0%	0.004	35%	0.346	C	S	.	.	H	α-helix	trans	-56.7	-56.2	175.2	163.7	-108.8	0	0	0	111.8	V221 I232 A236 F241 S243 S244 S245 S249 T250 F251 P259	V221-F247 HydrophobicContact CB-CE2 4.42Å; V221-F247 HydrophobicContact CG1-CE2 3.82Å; V221-F247 HydrophobicContact CG1-CZ 3.93Å; V221-F247 HydrophobicContact CG2-CE2 3.92Å; I232-F247 HydrophobicContact CG2-CE1 3.58Å; I232-F247 HydrophobicContact CG2-CZ 4.19Å; A236-F247 HydrophobicContact CB-CB 4.16Å; A236-F247 HydrophobicContact CB-CD1 3.6Å; A236-F247 HydrophobicContact CB-CD2 3.8Å; A236-F247 HydrophobicContact CB-CE1 3.9Å; A236-F247 HydrophobicContact CB-CE2 4.09Å; A236-F247 HydrophobicContact CB-CG 3.54Å; A236-F247 HydrophobicContact CB-CZ 4.13Å; F241-F247 HydrophobicContact CB-CB 3.95Å; F241-F247 HydrophobicContact CD1-CB 3.99Å; F241-F247 HydrophobicContact CD1-CD2 4.26Å; F241-F247 AromaticContact CD2-CD2 3.67Å; F241-F247 HydrophobicContact CD2-CD2 3.67Å; F241-F247 HydrophobicContact CD2-CE2 4.41Å; F241-F247 HydrophobicContact CD2-CG 4.49Å; F241-F247 HydrophobicContact CE1-CD2 4.41Å; F241-F247 AromaticContact CE2-CD2 3.82Å; F241-F247 HydrophobicContact CE2-CD2 3.82Å; F241-F247 HydrophobicContact CE2-CE2 4.34Å; F241-F247 HydrophobicContact CG-CB 3.93Å; F241-F247 AromaticContact CG-CD2 3.9Å; F241-F247 HydrophobicContact CG-CD2 3.9Å; F241-F247 HydrophobicContact CG-CG 4.34Å; F241-F247 HydrophobicContact CZ-CD2 4.21Å; S243-F247 WeakPolarHBondContact O-CB 3.43Å; S243-F247 PolarHBondContact O-N 3.32Å; S244-F247 WeakPolarHBondContact O-CB 3.5Å; S244-F247 PolarHBondContact O-N 2.82Å; S244-F247 VanDerWaalsContact O-N 3.16Å; S245-F247 VanDerWaalsContact C-N 3.34Å; S245-F247 PolarHBondContact O-N 2.89Å; F247-S249 VanDerWaalsContact C-N 3.34Å; F247-S249 PolarHBondContact O-N 3.45Å; F247-T250 PolarHBondContact O-N 3.46Å; F247-T250 VanDerWaalsContact O-N 3.11Å; F247-F251 HydrophobicContact CD2-CB 4.49Å; F247-F251 HydrophobicContact CE2-CB 4.04Å; F247-F251 AromaticContact CE2-CD2 3.96Å; F247-F251 HydrophobicContact CE2-CD2 3.96Å; F247-F251 HydrophobicContact CE2-CG 4.32Å; F247-F251 HydrophobicContact CZ-CB 4.3Å; F247-F251 HydrophobicContact CZ-CD2 4.16Å; F247-F251 HydrophobicContact CZ-CG 4.37Å; F247-F251 WeakPolarHBondContact O-CB 3.45Å; F247-F251 PolarHBondContact O-N 3.37Å; F247-P259 HydrophobicContact CE1-CB 4.31Å; F247-P259 HydrophobicContact CE1-CG 3.62Å; F247-P259 HydrophobicContact CZ-CB 4.14Å; F247-P259 HydrophobicContact CZ-CG 3.59Å
248	Y	95.9	Very high	92.6	Very high	106 Å²	106	62 Å²	62	42%	0.416	34%	0.337	S	S	.	.	H	α-helix	trans	-59	-43.9	-179	-76.4	-70.2	0	0	0	112.2	I232 S244 S245 T250 G252 P259	I232-Y248 HydrophobicContact CG2-CE1 3.99Å; I232-Y248 WeakPolarHBondContact CG2-OH 3.42Å; S244-Y248 WeakPolarHBondContact O-CD2 3.47Å; S244-Y248 PolarHBondContact O-N 2.85Å; S245-Y248 PolarHBondContact O-N 2.85Å; Y248-T250 VanDerWaalsContact C-N 3.33Å; Y248-T250 PolarHBondContact O-N 2.89Å; Y248-G252 PolarHBondContact O-N 3.17Å; Y248-P259 HydrophobicContact CD1-CG 3.81Å; Y248-P259 HydrophobicContact CE1-CG 3.82Å
249	S	95.1	Very high	92.7	Very high	74 Å²	74	59.3 Å²	59.3	52%	0.517	32%	0.32	S	S	.	.	H	α-helix	trans	-62.3	-40.6	176.5	70.1	0	0	0	0	112.5	S245 R246 F247 K253	S245-S249 WeakPolarHBondContact O-CB 3.23Å; S245-S249 PolarHBondContact O-N 3.24Å; S245-S249 PolarHBondContact O-OG 3.02Å; R246-S249 WeakPolarHBondContact CA-OG 3.37Å; R246-S249 PolarHBondContact O-N 2.93Å; R246-S249 PolarHBondContact O-OG 3.16Å; F247-S249 VanDerWaalsContact C-N 3.34Å; F247-S249 PolarHBondContact O-N 3.45Å; S249-K253 VanDerWaalsContact O-CB 3.3Å; S249-K253 WeakPolarHBondContact O-CB 3.41Å; S249-K253 PolarHBondContact O-N 3.34Å
250	T	94.3	Very high	92.8	Very high	21 Å²	21	66.2 Å²	66.2	13%	0.129	35%	0.352	C	S	.	.	H	α-helix	trans	-70.5	-49	-179.4	-57.8	0	0	0	0	109.8	T214 I218 F241 R246 F247 Y248 G252 K253 Y254	T214-T250 HydrophobicContact CG2-CG2 3.32Å; I218-T250 HydrophobicContact CD1-CG2 4.03Å; I218-T250 HydrophobicContact CG1-CG2 4.17Å; F241-T250 HydrophobicContact CE1-CG2 4.12Å; F241-T250 HydrophobicContact CZ-CG2 4.37Å; R246-T250 VanDerWaalsContact O-CB 3.25Å; R246-T250 WeakPolarHBondContact O-CB 3.44Å; R246-T250 PolarHBondContact O-N 3.31Å; R246-T250 PolarHBondContact O-OG1 3.1Å; F247-T250 PolarHBondContact O-N 3.46Å; F247-T250 VanDerWaalsContact O-N 3.11Å; Y248-T250 VanDerWaalsContact C-N 3.33Å; Y248-T250 PolarHBondContact O-N 2.89Å; T250-G252 PolarHBondContact O-N 2.82Å; T250-K253 PolarHBondContact O-N 3.37Å; T250-Y254 HydrophobicContact CG2-CD2 3.58Å; T250-Y254 HydrophobicContact CG2-CE2 3.75Å; T250-Y254 WeakPolarHBondContact O-CB 3.05Å; T250-Y254 VanDerWaalsContact O-CD2 3.29Å; T250-Y254 WeakPolarHBondContact O-CD2 3.31Å; T250-Y254 PolarHBondContact O-N 3.4Å
251	F	94.8	Very high	92.9	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-59.5	-48.1	178.9	-169.3	-80.9	0	0	0	111.2	I218 V221 R222 L225 F247 K253 Y254 V255 M257 P259 Y262	I218-F251 HydrophobicContact CD1-CB 4.01Å; I218-F251 HydrophobicContact CD1-CD2 3.89Å; I218-F251 HydrophobicContact CD1-CG 4.37Å; V221-F251 HydrophobicContact CB-CE2 4.41Å; V221-F251 HydrophobicContact CG1-CD2 3.82Å; V221-F251 HydrophobicContact CG1-CE2 3.6Å; R222-F251 HydrophobicContact CG-CE2 4.19Å; R222-F251 HydrophobicContact CG-CZ 4.47Å; L225-F251 HydrophobicContact CD1-CE2 3.77Å; L225-F251 HydrophobicContact CD1-CZ 3.71Å; F247-F251 HydrophobicContact CD2-CB 4.49Å; F247-F251 HydrophobicContact CE2-CB 4.04Å; F247-F251 AromaticContact CE2-CD2 3.96Å; F247-F251 HydrophobicContact CE2-CD2 3.96Å; F247-F251 HydrophobicContact CE2-CG 4.32Å; F247-F251 HydrophobicContact CZ-CB 4.3Å; F247-F251 HydrophobicContact CZ-CD2 4.16Å; F247-F251 HydrophobicContact CZ-CG 4.37Å; F247-F251 WeakPolarHBondContact O-CB 3.45Å; F247-F251 PolarHBondContact O-N 3.37Å; F251-K253 VanDerWaalsContact C-N 3.3Å; F251-K253 PolarHBondContact O-N 3.32Å; F251-Y254 PolarHBondContact O-N 3.13Å; F251-V255 HydrophobicContact CD1-CB 4.06Å; F251-V255 HydrophobicContact CD1-CG2 4Å; F251-V255 HydrophobicContact CD2-CG2 4.08Å; F251-V255 HydrophobicContact CE1-CB 3.76Å; F251-V255 HydrophobicContact CE1-CG1 3.87Å; F251-V255 HydrophobicContact CE1-CG2 3.8Å; F251-V255 HydrophobicContact CE2-CG2 3.88Å; F251-V255 HydrophobicContact CG-CG2 4.14Å; F251-V255 HydrophobicContact CZ-CB 4.12Å; F251-V255 HydrophobicContact CZ-CG1 4.02Å; F251-V255 HydrophobicContact CZ-CG2 3.74Å; F251-V255 VanDerWaalsContact O-CB 3.31Å; F251-V255 WeakPolarHBondContact O-CB 3.46Å; F251-V255 WeakPolarHBondContact O-CG2 3.45Å; F251-V255 PolarHBondContact O-N 3.46Å; F251-M257 VanDerWaalsContact CD1-O 3.29Å; F251-M257 WeakPolarHBondContact CD1-O 3.23Å; F251-M257 WeakPolarHBondContact CE1-O 3.42Å; F251-P259 HydrophobicContact CB-CG 4.22Å; F251-P259 HydrophobicContact CD1-CB 4.34Å; F251-P259 HydrophobicContact CD1-CG 3.64Å; F251-P259 HydrophobicContact CD2-CG 4.36Å; F251-P259 HydrophobicContact CE1-CB 4.28Å; F251-P259 HydrophobicContact CE1-CG 4.06Å; F251-P259 HydrophobicContact CG-CG 3.81Å; F251-Y262 HydrophobicContact CE1-CG 4.46Å; F251-Y262 HydrophobicContact CZ-CD1 4.33Å; F251-Y262 HydrophobicContact CZ-CD2 4.3Å; F251-Y262 AromaticContact CZ-CG 3.9Å; F251-Y262 HydrophobicContact CZ-CG 3.9Å
252	G	93.7	Very high	92.9	Very high	29 Å²	29	71.7 Å²	71.7	30%	0.299	38%	0.375	S	S	.	.	H	α-helix	trans	-58.4	-41.5	175.9	0	0	0	0	0	112.6	Y248 T250 G256	Y248-G252 PolarHBondContact O-N 3.17Å; T250-G252 PolarHBondContact O-N 2.82Å; G252-G256 VanDerWaalsContact O-CA 3.23Å; G252-G256 WeakPolarHBondContact O-CA 3.34Å; G252-G256 PolarHBondContact O-N 2.9Å
253	K	91.3	Very high	93.1	Very high	180 Å²	180	64.6 Å²	64.6	78%	0.783	35%	0.348	S	S	*	.	H	α-helix	trans	-64.4	-42.3	176.4	-179.9	179.9	177.8	179.1	0	113	S249 T250 F251	S249-K253 VanDerWaalsContact O-CB 3.3Å; S249-K253 WeakPolarHBondContact O-CB 3.41Å; S249-K253 PolarHBondContact O-N 3.34Å; T250-K253 PolarHBondContact O-N 3.37Å; F251-K253 VanDerWaalsContact C-N 3.3Å; F251-K253 PolarHBondContact O-N 3.32Å
254	Y	88.9	Confident	93.3	Very high	64 Å²	64	68.6 Å²	68.6	25%	0.251	36%	0.359	S	S	.	.	H	α-helix	trans	-86.4	-25.6	-172.5	-88.5	-85.6	0	0	0	113.9	W16 T214 I218 T250 F251	W16-Y254 AromaticContact CE2-CD1 3.76Å; W16-Y254 AromaticContact CH2-CD1 3.69Å; W16-Y254 HydrophobicContact CH2-CD1 3.69Å; W16-Y254 AromaticContact CH2-CE1 3.98Å; W16-Y254 HydrophobicContact CH2-CE1 3.98Å; W16-Y254 AromaticContact CZ2-CD1 3.11Å; W16-Y254 HydrophobicContact CZ2-CD1 3.11Å; W16-Y254 AromaticContact CZ2-CE1 3.84Å; W16-Y254 HydrophobicContact CZ2-CE1 3.84Å; W16-Y254 AromaticContact CZ2-CG 3.91Å; W16-Y254 HydrophobicContact CZ2-CG 3.91Å; W16-Y254 PolarHBondContact NE1-O 2.89Å; T214-Y254 HydrophobicContact CG2-CD2 4.33Å; T214-Y254 HydrophobicContact CG2-CE2 3.59Å; I218-Y254 HydrophobicContact CG1-CD2 4.46Å; I218-Y254 HydrophobicContact CG1-CG 4.38Å; T250-Y254 HydrophobicContact CG2-CD2 3.58Å; T250-Y254 HydrophobicContact CG2-CE2 3.75Å; T250-Y254 WeakPolarHBondContact O-CB 3.05Å; T250-Y254 VanDerWaalsContact O-CD2 3.29Å; T250-Y254 WeakPolarHBondContact O-CD2 3.31Å; T250-Y254 PolarHBondContact O-N 3.4Å; F251-Y254 PolarHBondContact O-N 3.13Å
255	V	88.6	Confident	93.2	Very high	35 Å²	35	69.5 Å²	69.5	21%	0.212	36%	0.36	C	S	.	.	H	α-helix	trans	-112.6	-20.1	-174.5	-169.9	0	0	0	0	112	I218 F251 M257 Y262	I218-V255 HydrophobicContact CG2-CG2 3.82Å; F251-V255 HydrophobicContact CD1-CB 4.06Å; F251-V255 HydrophobicContact CD1-CG2 4Å; F251-V255 HydrophobicContact CD2-CG2 4.08Å; F251-V255 HydrophobicContact CE1-CB 3.76Å; F251-V255 HydrophobicContact CE1-CG1 3.87Å; F251-V255 HydrophobicContact CE1-CG2 3.8Å; F251-V255 HydrophobicContact CE2-CG2 3.88Å; F251-V255 HydrophobicContact CG-CG2 4.14Å; F251-V255 HydrophobicContact CZ-CB 4.12Å; F251-V255 HydrophobicContact CZ-CG1 4.02Å; F251-V255 HydrophobicContact CZ-CG2 3.74Å; F251-V255 VanDerWaalsContact O-CB 3.31Å; F251-V255 WeakPolarHBondContact O-CB 3.46Å; F251-V255 WeakPolarHBondContact O-CG2 3.45Å; F251-V255 PolarHBondContact O-N 3.46Å; V255-M257 HydrophobicContact CG1-CG 3.94Å; V255-M257 PolarHBondContact O-N 2.89Å; V255-Y262 HydrophobicContact CG1-CD2 3.67Å; V255-Y262 HydrophobicContact CG1-CE2 4.09Å
256	G	88.1	Confident	92.9	Very high	71 Å²	71	65.8 Å²	65.8	73%	0.732	33%	0.334	S	S	*	.	S	Bend	trans	78.3	2.5	180	0	0	0	0	0	114.8	G252	G252-G256 VanDerWaalsContact O-CA 3.23Å; G252-G256 WeakPolarHBondContact O-CA 3.34Å; G252-G256 PolarHBondContact O-N 2.9Å
257	M	91.9	Very high	92.7	Very high	54 Å²	54	60.3 Å²	60.3	27%	0.266	32%	0.315	S	S	.	.	S	Bend	trans	-146.2	166.5	178	64.6	-175.5	70.5	0	0	111	F251 V255 Q261 Y262 L265	F251-M257 VanDerWaalsContact CD1-O 3.29Å; F251-M257 WeakPolarHBondContact CD1-O 3.23Å; F251-M257 WeakPolarHBondContact CE1-O 3.42Å; V255-M257 HydrophobicContact CG1-CG 3.94Å; V255-M257 PolarHBondContact O-N 2.89Å; M257-Q261 HydrophobicContact CB-CB 4.33Å; M257-Y262 HydrophobicContact SD-CD2 4.01Å; M257-Y262 HydrophobicContact SD-CG 4.49Å; M257-L265 HydrophobicContact CE-CD1 4.22Å; M257-L265 HydrophobicContact SD-CD1 3.82Å
258	S	95.1	Very high	92.3	Very high	43 Å²	43	65 Å²	65	30%	0.301	34%	0.337	S	S	.	.			trans	-71.8	155.1	176.1	67.7	0	0	0	0	112.2	Q260 Q261 Y262	S258-Q260 PolarHBondContact O-N 3.41Å; S258-Q261 PolarHBondContact O-N 3.48Å; S258-Q261 WeakPolarHBondContact OG-CB 3.4Å; S258-Q261 VanDerWaalsContact OG-CD 3.26Å; S258-Q261 VanDerWaalsContact OG-CG 3.24Å; S258-Q261 WeakPolarHBondContact OG-CG 3.2Å; S258-Q261 PolarHBondContact OG-N 3.37Å; S258-Q261 PolarHBondContact OG-OE1 2.6Å; S258-Y262 PolarHBondContact O-N 3.38Å
259	P	96.2	Very high	91.2	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.006	33%	0.334	C	S	.	.	H	α-helix	trans	-55.5	-35.8	174.6	-26.1	33.9	0	0	0	113.8	L225 I232 F247 Y248 F251 Y262 R263	L225-P259 HydrophobicContact CD1-CB 4.02Å; L225-P259 HydrophobicContact CD2-CB 4.42Å; I232-P259 HydrophobicContact CD1-CB 4.17Å; I232-P259 HydrophobicContact CG1-CB 4.37Å; I232-P259 HydrophobicContact CG2-CB 3.76Å; I232-P259 HydrophobicContact CG2-CG 4.19Å; F247-P259 HydrophobicContact CE1-CB 4.31Å; F247-P259 HydrophobicContact CE1-CG 3.62Å; F247-P259 HydrophobicContact CZ-CB 4.14Å; F247-P259 HydrophobicContact CZ-CG 3.59Å; Y248-P259 HydrophobicContact CD1-CG 3.81Å; Y248-P259 HydrophobicContact CE1-CG 3.82Å; F251-P259 HydrophobicContact CB-CG 4.22Å; F251-P259 HydrophobicContact CD1-CB 4.34Å; F251-P259 HydrophobicContact CD1-CG 3.64Å; F251-P259 HydrophobicContact CD2-CG 4.36Å; F251-P259 HydrophobicContact CE1-CB 4.28Å; F251-P259 HydrophobicContact CE1-CG 4.06Å; F251-P259 HydrophobicContact CG-CG 3.81Å; P259-Y262 PolarHBondContact O-N 2.67Å; P259-R263 PolarHBondContact O-N 2.87Å
260	Q	95.4	Very high	90	Very high	145 Å²	145	67.9 Å²	67.9	68%	0.678	34%	0.336	S	S	*	.	H	α-helix	trans	-69	-44.3	178.8	-173.4	179.1	2.4	0	0	112	I232 S258 Y262 R263 K264	I232-Q260 HydrophobicContact CD1-CB 3.91Å; S258-Q260 PolarHBondContact O-N 3.41Å; Q260-Y262 VanDerWaalsContact C-N 3.31Å; Q260-R263 PolarHBondContact O-N 3.28Å; Q260-K264 PolarHBondContact O-N 3.26Å; Q260-K264 VanDerWaalsContact O-N 3.11Å
261	Q	94.4	Very high	88.9	Confident	110 Å²	110	74.6 Å²	74.6	51%	0.514	37%	0.366	S	S	.	.	H	α-helix	trans	-61.3	-43.7	173.8	-74.2	164.4	-41	0	0	110.7	M257 S258 K264 L265	M257-Q261 HydrophobicContact CB-CB 4.33Å; S258-Q261 PolarHBondContact O-N 3.48Å; S258-Q261 WeakPolarHBondContact OG-CB 3.4Å; S258-Q261 VanDerWaalsContact OG-CD 3.26Å; S258-Q261 VanDerWaalsContact OG-CG 3.24Å; S258-Q261 WeakPolarHBondContact OG-CG 3.2Å; S258-Q261 PolarHBondContact OG-N 3.37Å; S258-Q261 PolarHBondContact OG-OE1 2.6Å; Q261-K264 PolarHBondContact O-N 3.25Å; Q261-L265 WeakPolarHBondContact O-CB 3.38Å; Q261-L265 VanDerWaalsContact O-CG 3.31Å; Q261-L265 WeakPolarHBondContact O-CG 3.33Å; Q261-L265 PolarHBondContact O-N 3.45Å
262	Y	93.8	Very high	87.3	Confident	26 Å²	26	79 Å²	79	10%	0.102	39%	0.393	C	S	.	.	H	α-helix	trans	-59.1	-49.7	177.5	-174.5	-86.5	0	0	0	112	R222 L225 F251 V255 M257 S258 P259 Q260 K264 L265 S266	R222-Y262 HydrophobicContact CB-CE1 3.94Å; R222-Y262 HydrophobicContact CG-CE1 4.02Å; R222-Y262 HydrophobicContact CG-CE2 4.09Å; R222-Y262 PolarHBondContact NE-OH 3.48Å; R222-Y262 VanDerWaalsContact NE-OH 3.11Å; L225-Y262 HydrophobicContact CB-CD1 4.01Å; L225-Y262 HydrophobicContact CB-CE1 4.35Å; L225-Y262 HydrophobicContact CD1-CD1 3.82Å; L225-Y262 HydrophobicContact CD1-CG 4.46Å; F251-Y262 HydrophobicContact CE1-CG 4.46Å; F251-Y262 HydrophobicContact CZ-CD1 4.33Å; F251-Y262 HydrophobicContact CZ-CD2 4.3Å; F251-Y262 AromaticContact CZ-CG 3.9Å; F251-Y262 HydrophobicContact CZ-CG 3.9Å; V255-Y262 HydrophobicContact CG1-CD2 3.67Å; V255-Y262 HydrophobicContact CG1-CE2 4.09Å; M257-Y262 HydrophobicContact SD-CD2 4.01Å; M257-Y262 HydrophobicContact SD-CG 4.49Å; S258-Y262 PolarHBondContact O-N 3.38Å; P259-Y262 PolarHBondContact O-N 2.67Å; Q260-Y262 VanDerWaalsContact C-N 3.31Å; Y262-K264 PolarHBondContact O-N 3.05Å; Y262-L265 PolarHBondContact O-N 3.37Å; Y262-S266 PolarHBondContact O-N 3.43Å; Y262-S266 PolarHBondContact O-OG 3.12Å
263	R	94.8	Very high	85.4	Confident	41 Å²	41	85.3 Å²	85.3	16%	0.155	41%	0.413	C	S	.	.	H	α-helix	trans	-55	-51.7	176.9	172.4	177.8	-62	-178.9	1	111.9	L225 K230 P259 Q260 L265 S266 Q267	L225-R263 HydrophobicContact CB-CB 4.46Å; L225-R263 HydrophobicContact CD2-CB 4.34Å; L225-R263 WeakPolarHBondContact O-CG 3.13Å; K230-R263 VanDerWaalsContact O-CZ 3.29Å; K230-R263 PolarHBondContact O-NH1 2.99Å; K230-R263 VanDerWaalsContact O-NH1 3.07Å; K230-R263 PolarHBondContact O-NH2 3.38Å; P259-R263 PolarHBondContact O-N 2.87Å; Q260-R263 PolarHBondContact O-N 3.28Å; R263-L265 VanDerWaalsContact C-N 3.27Å; R263-L265 PolarHBondContact O-N 3.33Å; R263-S266 PolarHBondContact O-N 3.33Å; R263-S266 PolarHBondContact O-OG 3.24Å; R263-S266 VanDerWaalsContact O-OG 3.11Å; R263-Q267 HydrophobicContact CG-CG 4.18Å; R263-Q267 WeakPolarHBondContact O-CB 3.4Å; R263-Q267 WeakPolarHBondContact O-CG 3.32Å; R263-Q267 PolarHBondContact O-N 3.48Å
264	K	94	Very high	83.1	Confident	134 Å²	134	82 Å²	82	58%	0.583	41%	0.41	S	S	*	.	H	α-helix	trans	-56.8	-46.1	-178.6	-177	179.5	178.1	-178.5	0	110.6	Q260 Q261 Y262 Q268	Q260-K264 PolarHBondContact O-N 3.26Å; Q260-K264 VanDerWaalsContact O-N 3.11Å; Q261-K264 PolarHBondContact O-N 3.25Å; Y262-K264 PolarHBondContact O-N 3.05Å; K264-Q268 WeakPolarHBondContact O-CB 3.36Å; K264-Q268 WeakPolarHBondContact O-CG 3.41Å; K264-Q268 PolarHBondContact O-N 3.13Å; K264-Q268 VanDerWaalsContact O-N 3.15Å
265	L	89.7	Confident	81.1	Confident	72 Å²	72	85.8 Å²	85.8	38%	0.377	47%	0.467	S	S	.	.	H	α-helix	trans	-67.2	-40.5	179.3	-70.9	171.1	0	0	0	112.4	M257 Q261 Y262 R263 R269	M257-L265 HydrophobicContact CE-CD1 4.22Å; M257-L265 HydrophobicContact SD-CD1 3.82Å; Q261-L265 WeakPolarHBondContact O-CB 3.38Å; Q261-L265 VanDerWaalsContact O-CG 3.31Å; Q261-L265 WeakPolarHBondContact O-CG 3.33Å; Q261-L265 PolarHBondContact O-N 3.45Å; Y262-L265 PolarHBondContact O-N 3.37Å; R263-L265 VanDerWaalsContact C-N 3.27Å; R263-L265 PolarHBondContact O-N 3.33Å; L265-R269 VanDerWaalsContact O-CG 3.29Å; L265-R269 WeakPolarHBondContact O-CG 3.22Å; L265-R269 PolarHBondContact O-N 3.06Å; L265-R269 PolarHBondContact O-NE 3.14Å; L265-R269 PolarHBondContact O-NH1 3.41Å
266	S	87.1	Confident	80.8	Confident	8 Å²	8	88.3 Å²	88.3	6%	0.056	48%	0.48	C	S	.	.	H	α-helix	trans	-71.6	-41.5	-179.2	62.4	0	0	0	0	113.1	S226 Y262 R263 R269 R270	S226-S266 VanDerWaalsContact OG-CB 3.25Å; S226-S266 WeakPolarHBondContact OG-CB 3.47Å; S226-S266 PolarHBondContact OG-OG 2.84Å; S226-S266 VanDerWaalsContact OG-OG 3.13Å; Y262-S266 PolarHBondContact O-N 3.43Å; Y262-S266 PolarHBondContact O-OG 3.12Å; R263-S266 PolarHBondContact O-N 3.33Å; R263-S266 PolarHBondContact O-OG 3.24Å; R263-S266 VanDerWaalsContact O-OG 3.11Å; S266-R269 VanDerWaalsContact CA-NH2 3.29Å; S266-R269 PolarHBondContact O-N 3Å; S266-R270 PolarHBondContact O-N 2.95Å; S266-R270 VanDerWaalsContact O-N 3.17Å
267	Q	88.7	Confident	80.4	Confident	52 Å²	52	89.2 Å²	89.2	24%	0.243	47%	0.467	C	S	.	.	H	α-helix	trans	-69.8	-38.9	179.1	-69.4	-179.6	-31.1	0	0	112.3	D229 R263 R269 R270 Q271	D229-Q267 PolarHBondContact OD1-NE2 3.47Å; R263-Q267 HydrophobicContact CG-CG 4.18Å; R263-Q267 WeakPolarHBondContact O-CB 3.4Å; R263-Q267 WeakPolarHBondContact O-CG 3.32Å; R263-Q267 PolarHBondContact O-N 3.48Å; Q267-R269 VanDerWaalsContact C-N 3.3Å; Q267-R269 PolarHBondContact O-N 3.44Å; Q267-R270 PolarHBondContact O-N 3.37Å; Q267-Q271 PolarHBondContact O-N 3.09Å
268	Q	86.6	Confident	79.7	Confident	99 Å²	99	91.2 Å²	91.2	46%	0.463	48%	0.478	S	S	.	.	H	α-helix	trans	-59.7	-41.6	172.5	-75.9	176.8	-16.8	0	0	111.7	K264 R270 Q271 T272	K264-Q268 WeakPolarHBondContact O-CB 3.36Å; K264-Q268 WeakPolarHBondContact O-CG 3.41Å; K264-Q268 PolarHBondContact O-N 3.13Å; K264-Q268 VanDerWaalsContact O-N 3.15Å; Q268-R270 PolarHBondContact O-N 3.41Å; Q268-Q271 PolarHBondContact O-N 2.5Å; Q268-T272 PolarHBondContact O-N 3.14Å; Q268-T272 PolarHBondContact O-OG1 2.87Å
269	R	72.7	Confident	78.8	Confident	93 Å²	93	94 Å²	94	35%	0.351	49%	0.488	S	S	.	.	H	α-helix	trans	-63.4	-39.8	178	-77.6	-174	-59.2	-101.2	3.2	113.3	L265 S266 Q267 Q271 T272 F273	L265-R269 VanDerWaalsContact O-CG 3.29Å; L265-R269 WeakPolarHBondContact O-CG 3.22Å; L265-R269 PolarHBondContact O-N 3.06Å; L265-R269 PolarHBondContact O-NE 3.14Å; L265-R269 PolarHBondContact O-NH1 3.41Å; S266-R269 VanDerWaalsContact CA-NH2 3.29Å; S266-R269 PolarHBondContact O-N 3Å; Q267-R269 VanDerWaalsContact C-N 3.3Å; Q267-R269 PolarHBondContact O-N 3.44Å; R269-Q271 PolarHBondContact O-N 2.88Å; R269-T272 WeakPolarHBondContact CA-OG1 3.46Å; R269-T272 PolarHBondContact O-N 3.43Å; R269-T272 VanDerWaalsContact O-N 3.12Å; R269-T272 PolarHBondContact O-OG1 3.47Å; R269-F273 PolarHBondContact O-N 3.49Å
270	R	70.4	Confident	77.7	Confident	147 Å²	147	99.8 Å²	99.8	56%	0.555	52%	0.519	S	S	*	.	H	α-helix	trans	-63.7	-29.4	178.6	-163.8	-178.5	-171.9	154.2	8.6	112.2	D227 S266 Q267 Q268	D227-R270 IonicContact OD1-CZ 3.53Å; D227-R270 IonicContact OD1-NH1 2.67Å; D227-R270 PolarHBondContact OD1-NH1 2.67Å; D227-R270 IonicContact OD1-NH2 3.73Å; S266-R270 PolarHBondContact O-N 2.95Å; S266-R270 VanDerWaalsContact O-N 3.17Å; Q267-R270 PolarHBondContact O-N 3.37Å; Q268-R270 PolarHBondContact O-N 3.41Å
271	Q	70	Confident	76.6	Confident	162 Å²	162	96.8 Å²	96.8	76%	0.757	51%	0.508	S	S	*	.	H	α-helix	trans	-75.4	-32	174.6	-65.4	174.8	6.6	0	0	112.3	Q267 Q268 R269	Q267-Q271 PolarHBondContact O-N 3.09Å; Q268-Q271 PolarHBondContact O-N 2.5Å; R269-Q271 PolarHBondContact O-N 2.88Å
272	T	61.2	Low	75.3	Confident	93 Å²	93	95.9 Å²	95.9	57%	0.571	51%	0.508	S	S	*	.	H	α-helix	trans	-83.7	-26.2	179.4	50.4	0	0	0	0	114.1	Q268 R269	Q268-T272 PolarHBondContact O-N 3.14Å; Q268-T272 PolarHBondContact O-OG1 2.87Å; R269-T272 WeakPolarHBondContact CA-OG1 3.46Å; R269-T272 PolarHBondContact O-N 3.43Å; R269-T272 VanDerWaalsContact O-N 3.12Å; R269-T272 PolarHBondContact O-OG1 3.47Å
273	F	53.6	Low	73.9	Confident	162 Å²	162	101.2 Å²	101.2	71%	0.711	54%	0.539	S	S	*	.	S	Bend	trans	-135.5	82.7	179.4	-58.1	-81.8	0	0	0	109.7	R269 G275	R269-F273 PolarHBondContact O-N 3.49Å; F273-G275 PolarHBondContact O-N 2.79Å
274	P	44.1	Very low	72.1	Confident	111 Å²	111	106.3 Å²	106.3	72%	0.721	57%	0.571	S	S	*	*			trans	-62.1	122.5	168.1	25.4	-30.1	0	0	0	108.1
275	G	47.3	Very low	70.1	Confident	142 Å²	142	103.7 Å²	103.7	100%	1.464	57%	0.57	S	S	*	*			trans	-64.7	0	-178.9	0	0	0	0	0	114.1	F273	F273-G275 PolarHBondContact O-N 2.79Å

Retrieved 275 of 275 residues in 298 ms (Link to these results)

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