A0A077Z5Y5_TRITR Loading...

DUF830 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z5Y5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 211 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	96.2	Very high	74.8	Confident	16 Å²	16	56.5 Å²	56.5	8%	0.079	31%	0.309	C	S	.	.				0	132.6	0	-54.1	179.2	79.8	0	0	108.7	V33 S34 L36 I42 L56 V72 S73 L74 A204	M1-V33 CarbonylContact O-C 3.59Å; M1-V33 WeakPolarHBondContact O-CA 3.28Å; M1-V33 WeakPolarHBondContact O-CG2 3.45Å; M1-S34 PolarHBondContact N-O 3.43Å; M1-S34 PolarHBondContact O-N 3.3Å; M1-L36 HydrophobicContact SD-CD1 4.18Å; M1-I42 HydrophobicContact SD-CG2 3.92Å; M1-L56 HydrophobicContact CE-CD1 3.87Å; M1-L56 HydrophobicContact CE-CD2 3.76Å; M1-L56 HydrophobicContact CE-CG 4.48Å; M1-L56 HydrophobicContact SD-CD1 3.81Å; M1-L56 HydrophobicContact SD-CD2 3.89Å; M1-V72 HydrophobicContact CB-CG1 4.48Å; M1-V72 HydrophobicContact CE-CG1 3.54Å; M1-S73 CarbonylContact C-O 3.59Å; M1-S73 VanDerWaalsContact CA-O 3.27Å; M1-S73 WeakPolarHBondContact CA-O 3.34Å; M1-L74 HydrophobicContact CE-CD1 3.76Å; M1-L74 HydrophobicContact CE-CG 4.04Å; M1-L74 HydrophobicContact CG-CG 4.46Å; M1-A204 HydrophobicContact CE-CB 4.26Å
2	F	97.6	Very high	72.2	Confident	7 Å²	7	60.9 Å²	60.9	3%	0.031	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	141.8	177.8	-69.9	-92.3	0	0	0	110.6	I30 V33 V72 S73 M75 P174 L177 A178 L183	F2-I30 HydrophobicContact CB-CD1 4.17Å; F2-I30 HydrophobicContact CB-CG2 4.48Å; F2-I30 HydrophobicContact CD1-CD1 4.34Å; F2-I30 HydrophobicContact CD1-CG2 4.03Å; F2-I30 HydrophobicContact CG-CD1 4.49Å; F2-V33 HydrophobicContact CD1-CB 3.82Å; F2-V33 HydrophobicContact CD1-CG2 3.69Å; F2-V33 HydrophobicContact CD2-CG2 4.31Å; F2-V33 HydrophobicContact CE1-CB 3.82Å; F2-V33 HydrophobicContact CE1-CG2 3.44Å; F2-V33 VanDerWaalsContact CE1-CG2 3.44Å; F2-V33 HydrophobicContact CE2-CG2 4.07Å; F2-V33 HydrophobicContact CG-CG2 4.15Å; F2-V33 HydrophobicContact CZ-CG2 3.66Å; F2-V72 CarbonylContact O-C 3.45Å; F2-V72 WeakPolarHBondContact O-CA 3.4Å; F2-S73 PolarHBondContact N-O 3.15Å; F2-S73 PolarHBondContact O-N 3.22Å; F2-M75 HydrophobicContact CD2-CB 4.38Å; F2-M75 HydrophobicContact CD2-CE 4.07Å; F2-M75 HydrophobicContact CD2-CG 3.45Å; F2-M75 VanDerWaalsContact CD2-CG 3.45Å; F2-M75 HydrophobicContact CE2-CB 4.22Å; F2-M75 HydrophobicContact CE2-CG 3.63Å; F2-P174 VanDerWaalsContact CE1-O 3.24Å; F2-P174 WeakPolarHBondContact CE1-O 3.3Å; F2-L177 HydrophobicContact CE1-CB 4.12Å; F2-L177 HydrophobicContact CE1-CD2 3.97Å; F2-L177 HydrophobicContact CE1-CG 4.26Å; F2-L177 HydrophobicContact CZ-CB 4.33Å; F2-L177 HydrophobicContact CZ-CD2 3.85Å; F2-L177 HydrophobicContact CZ-CG 4.04Å; F2-A178 HydrophobicContact CD1-CB 3.61Å; F2-A178 HydrophobicContact CD2-CB 4.38Å; F2-A178 HydrophobicContact CE1-CB 3.58Å; F2-A178 HydrophobicContact CE2-CB 4.38Å; F2-A178 HydrophobicContact CG-CB 4Å; F2-A178 HydrophobicContact CZ-CB 3.98Å; F2-L183 HydrophobicContact CE2-CD1 3.67Å; F2-L183 HydrophobicContact CZ-CD1 3.64Å
3	W	96.6	Very high	70.4	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.2	-173.4	-53.2	89.7	0	0	0	109.1	I30 F31 H32 S34 I42 L56 Y59 L60 M70 V72	W3-I30 CarbonylContact O-C 3.58Å; W3-I30 VanDerWaalsContact O-CA 3.29Å; W3-I30 WeakPolarHBondContact O-CA 3.41Å; W3-F31 HydrophobicContact CB-CE1 4.12Å; W3-F31 HydrophobicContact CB-CE2 4.03Å; W3-F31 HydrophobicContact CB-CZ 3.77Å; W3-F31 WeakPolarHBondContact O-CD1 3.34Å; W3-F31 PolarHBondContact O-N 3.48Å; W3-H32 HydrophobicContact CB-CB 3.93Å; W3-H32 AromaticContact CD1-CD2 3.6Å; W3-H32 AromaticContact CD1-CG 3.88Å; W3-H32 HydrophobicContact CG-CB 4.1Å; W3-H32 PolarHBondContact N-O 2.87Å; W3-H32 AromaticContact NE1-CD2 3.93Å; W3-H32 PolarHBondContact O-N 3.31Å; W3-S34 PolarHBondContact NE1-OG 3.2Å; W3-I42 HydrophobicContact CZ2-CD1 4.46Å; W3-L56 HydrophobicContact CH2-CD1 3.73Å; W3-L56 HydrophobicContact CZ2-CD1 3.95Å; W3-Y59 HydrophobicContact CD2-CE1 4.32Å; W3-Y59 HydrophobicContact CE3-CE1 4.41Å; W3-Y59 AromaticContact CH2-CD1 3.88Å; W3-Y59 HydrophobicContact CH2-CD1 3.88Å; W3-Y59 HydrophobicContact CH2-CE1 4.01Å; W3-Y59 AromaticContact CZ2-CD1 3.96Å; W3-Y59 HydrophobicContact CZ2-CD1 3.96Å; W3-Y59 AromaticContact CZ2-CE1 3.9Å; W3-Y59 HydrophobicContact CZ2-CE1 3.9Å; W3-Y59 HydrophobicContact CZ3-CD1 4.42Å; W3-Y59 HydrophobicContact CZ3-CE1 4.25Å; W3-L60 HydrophobicContact CH2-CD2 3.56Å; W3-L60 HydrophobicContact CH2-CG 3.93Å; W3-L60 HydrophobicContact CZ3-CD2 3.33Å; W3-L60 HydrophobicContact CZ3-CG 4.17Å; W3-M70 HydrophobicContact CE3-CG 4.24Å; W3-M70 HydrophobicContact CE3-SD 3.51Å; W3-M70 VanDerWaalsContact CE3-SD 3.51Å; W3-M70 HydrophobicContact CZ3-CG 4.47Å; W3-M70 HydrophobicContact CZ3-SD 3.59Å; W3-M70 VanDerWaalsContact CZ3-SD 3.59Å; W3-V72 HydrophobicContact CD2-CG1 4.44Å; W3-V72 HydrophobicContact CE3-CB 4.37Å; W3-V72 HydrophobicContact CE3-CG1 4.09Å; W3-V72 HydrophobicContact CE3-CG2 3.57Å; W3-V72 HydrophobicContact CH2-CG1 3.99Å; W3-V72 HydrophobicContact CH2-CG2 4.16Å; W3-V72 HydrophobicContact CZ2-CG1 4.34Å; W3-V72 HydrophobicContact CZ3-CB 4.22Å; W3-V72 HydrophobicContact CZ3-CG1 3.86Å; W3-V72 HydrophobicContact CZ3-CG2 3.3Å
4	S	94.8	Very high	70	Confident	2 Å²	2	66 Å²	66	1%	0.014	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	152.1	-179.4	48.7	0	0	0	0	112	Q28 A29 M70 R71	S4-Q28 WeakPolarHBondContact CB-O 3.3Å; S4-A29 CarbonylContact C-O 3.46Å; S4-A29 WeakPolarHBondContact CA-O 3.44Å; S4-A29 WeakPolarHBondContact CB-O 3.39Å; S4-M70 CarbonylContact O-C 3.33Å; S4-M70 WeakPolarHBondContact O-CA 3.34Å; S4-M70 WeakPolarHBondContact O-CB 3.27Å; S4-R71 PolarHBondContact N-O 3.39Å; S4-R71 PolarHBondContact O-N 3.21Å; S4-R71 VanDerWaalsContact OG-CB 3.26Å; S4-R71 WeakPolarHBondContact OG-CB 3.4Å; S4-R71 PolarHBondContact OG-O 2.88Å
5	K	90.4	Very high	71.1	Confident	15 Å²	15	64.3 Å²	64.3	7%	0.065	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	141	177.2	-52	-163.9	87.8	176.4	0	110.3	I17 D18 A29 F31 R71	K5-I17 HydrophobicContact CD-CG2 4.07Å; K5-I17 HydrophobicContact CG-CG2 4.43Å; K5-D18 IonicContact NZ-OD1 3.2Å; K5-D18 PolarHBondContact NZ-OD1 3.31Å; K5-D18 IonicContact NZ-OD2 2.54Å; K5-A29 HydrophobicContact CB-CB 4.48Å; K5-A29 PolarHBondContact N-O 2.98Å; K5-F31 HydrophobicContact CG-CD1 3.84Å; K5-F31 HydrophobicContact CG-CE1 4.08Å; K5-R71 PolarHBondContact O-NH2 3.47Å
6	L	83.6	Confident	72.4	Confident	51 Å²	51	62.3 Å²	62.3	27%	0.267	37%	0.37	S	S	.	.	S	Bend	trans	-78.5	-39.1	172.9	-95.1	167.2	0	0	0	112.2	E69 M70 R71 R192	L6-E69 HydrophobicContact CB-CB 3.97Å; L6-E69 HydrophobicContact CD1-CB 3.93Å; L6-E69 PolarHBondContact N-O 2.95Å; L6-E69 VanDerWaalsContact N-O 3.12Å; L6-M70 WeakPolarHBondContact CD1-O 3.37Å; L6-R71 HydrophobicContact CD2-CG 3.49Å; L6-R71 VanDerWaalsContact CD2-CG 3.49Å; L6-R71 HydrophobicContact CG-CG 3.86Å; L6-R192 HydrophobicContact CD1-CG 3.56Å
7	A	67.4	Low	73.5	Confident	53 Å²	53	61.5 Å²	61.5	44%	0.438	36%	0.363	S	S	.	.	S	Bend	trans	-132	157.7	-180	0	0	0	0	0	110.4	Q9	A7-Q9 PolarHBondContact O-N 3.48Å
8	K	55.1	Low	74.4	Confident	203 Å²	203	59.8 Å²	59.8	88%	0.883	35%	0.353	S	S	*	.			trans	-66.1	84.4	164.9	-71.5	-176.7	179.2	-179.1	0	107.6	T10	K8-T10 VanDerWaalsContact C-N 3.28Å; K8-T10 PolarHBondContact O-N 3.23Å
9	Q	50.8	Low	75.4	Confident	77 Å²	77	56.7 Å²	56.7	36%	0.36	33%	0.334	S	S	.	.			trans	-67.5	98	164.1	-76.3	-175.5	-11.7	0	0	107.1	A7 S11 G67	A7-Q9 PolarHBondContact O-N 3.48Å; Q9-S11 PolarHBondContact O-N 3Å; Q9-S11 VanDerWaalsContact O-N 3.08Å; Q9-G67 PolarHBondContact NE2-O 2.68Å
10	T	44.7	Very low	76.3	Confident	134 Å²	134	54.5 Å²	54.5	82%	0.822	32%	0.321	S	S	*	.			trans	-74.7	81.8	163.7	49.4	0	0	0	0	107.3	K8	K8-T10 VanDerWaalsContact C-N 3.28Å; K8-T10 PolarHBondContact O-N 3.23Å
11	S	45.2	Very low	77	Confident	63 Å²	63	52.5 Å²	52.5	44%	0.441	31%	0.311	S	S	.	.			trans	-79.1	136.2	160.8	71.7	0	0	0	0	107.7	Q9 N13	Q9-S11 PolarHBondContact O-N 3Å; Q9-S11 VanDerWaalsContact O-N 3.08Å; S11-N13 PolarHBondContact O-N 3.26Å; S11-N13 VanDerWaalsContact O-N 3.13Å; S11-N13 PolarHBondContact OG-O 2.89Å
12	A	43.7	Very low	76.7	Confident	110 Å²	110	53.3 Å²	53.3	91%	0.909	32%	0.318	S	S	*	.	S	Bend	trans	-63.8	-17	-175	0	0	0	0	0	113.3
13	N	49	Very low	76.4	Confident	137 Å²	137	53.3 Å²	53.3	73%	0.733	32%	0.319	S	S	*	.	S	Bend	trans	-108.5	116.2	171.4	-69.5	-20.4	0	0	0	108.2	S11 S15	S11-N13 PolarHBondContact O-N 3.26Å; S11-N13 VanDerWaalsContact O-N 3.13Å; S11-N13 PolarHBondContact OG-O 2.89Å; N13-S15 PolarHBondContact O-N 2.9Å
14	A	65.2	Low	76.1	Confident	56 Å²	56	54.1 Å²	54.1	46%	0.463	33%	0.327	S	S	.	.			trans	-52.9	114.7	173.8	0	0	0	0	0	109.3	Y153	A14-Y153 HydrophobicContact CB-CD2 3.97Å; A14-Y153 WeakPolarHBondContact O-CD2 3.21Å; A14-Y153 WeakPolarHBondContact O-CE2 3.33Å
15	S	86.9	Confident	75.9	Confident	40 Å²	40	56.7 Å²	56.7	28%	0.28	34%	0.34	S	S	.	.			trans	-83.2	159.7	175.9	70.1	0	0	0	0	110.1	N13 I17 D18 A19	N13-S15 PolarHBondContact O-N 2.9Å; S15-I17 PolarHBondContact O-N 3.41Å; S15-D18 PolarHBondContact N-OD2 3.37Å; S15-D18 WeakPolarHBondContact O-CB 3.28Å; S15-D18 PolarHBondContact O-N 3.14Å; S15-D18 PolarHBondContact OG-N 3.11Å; S15-D18 VanDerWaalsContact OG-N 3.15Å; S15-D18 PolarHBondContact OG-OD2 2.94Å; S15-A19 PolarHBondContact O-N 3.46Å
16	F	91.9	Very high	75.6	Confident	33 Å²	33	61.7 Å²	61.7	15%	0.145	36%	0.362	C	S	.	.	H	α-helix	trans	-49.7	-42.5	170	-175.2	-90	0	0	0	111.6	D18 A19 V20 Y100 F104 Y153 W154 Y157	F16-D18 VanDerWaalsContact C-N 3.35Å; F16-D18 PolarHBondContact O-N 3.19Å; F16-A19 PolarHBondContact O-N 2.71Å; F16-V20 HydrophobicContact CD1-CG2 3.95Å; F16-V20 HydrophobicContact CE1-CG2 3.51Å; F16-V20 HydrophobicContact CZ-CG2 3.83Å; F16-V20 WeakPolarHBondContact O-CG2 3.39Å; F16-V20 PolarHBondContact O-N 2.64Å; F16-Y100 HydrophobicContact CZ-CE1 4.16Å; F16-Y100 AromaticContact CZ-CZ 3.99Å; F16-Y100 WeakPolarHBondContact CZ-OH 3.49Å; F16-F104 HydrophobicContact CE2-CZ 4.07Å; F16-F104 HydrophobicContact CZ-CE1 4.42Å; F16-F104 AromaticContact CZ-CZ 3.97Å; F16-F104 HydrophobicContact CZ-CZ 3.97Å; F16-Y153 WeakPolarHBondContact CA-OH 3.33Å; F16-Y153 WeakPolarHBondContact CB-OH 3.26Å; F16-Y153 HydrophobicContact CD2-CE1 4.21Å; F16-Y153 PolarHBondContact N-OH 2.77Å; F16-W154 HydrophobicContact CD2-CH2 4.17Å; F16-W154 HydrophobicContact CD2-CZ3 4.42Å; F16-W154 AromaticContact CE2-CH2 3.71Å; F16-W154 HydrophobicContact CE2-CH2 3.71Å; F16-W154 AromaticContact CE2-CZ3 3.97Å; F16-W154 HydrophobicContact CE2-CZ3 3.97Å; F16-W154 HydrophobicContact CZ-CH2 4.14Å; F16-Y157 HydrophobicContact CD2-CE2 4.15Å; F16-Y157 HydrophobicContact CE2-CE2 4.18Å
17	I	90.6	Very high	75.7	Confident	48 Å²	48	66.5 Å²	66.5	25%	0.246	38%	0.383	C	S	.	.	H	α-helix	trans	-61.1	-42.5	178.2	-69.3	175.3	0	0	0	111.6	K5 S15 A21 F31 M63	K5-I17 HydrophobicContact CD-CG2 4.07Å; K5-I17 HydrophobicContact CG-CG2 4.43Å; S15-I17 PolarHBondContact O-N 3.41Å; I17-A21 WeakPolarHBondContact O-CB 3.37Å; I17-A21 PolarHBondContact O-N 2.94Å; I17-F31 HydrophobicContact CB-CD2 4.49Å; I17-F31 HydrophobicContact CD1-CD2 4.44Å; I17-F31 HydrophobicContact CD1-CE2 4.29Å; I17-F31 HydrophobicContact CG1-CD2 4.11Å; I17-F31 HydrophobicContact CG1-CE2 4.46Å; I17-F31 HydrophobicContact CG2-CB 3.95Å; I17-F31 HydrophobicContact CG2-CD1 3.98Å; I17-F31 HydrophobicContact CG2-CD2 3.84Å; I17-F31 HydrophobicContact CG2-CE1 4.42Å; I17-F31 HydrophobicContact CG2-CE2 4.32Å; I17-F31 HydrophobicContact CG2-CG 3.66Å; I17-M63 HydrophobicContact CD1-CE 4.28Å
18	D	89.7	Confident	76.7	Confident	32 Å²	32	66.4 Å²	66.4	17%	0.171	37%	0.373	C	S	.	.	H	α-helix	trans	-66.8	-43.7	178.6	-67	-46	0	0	0	111.7	K5 S15 F16 A21 S22	K5-D18 IonicContact NZ-OD1 3.2Å; K5-D18 PolarHBondContact NZ-OD1 3.31Å; K5-D18 IonicContact NZ-OD2 2.54Å; S15-D18 PolarHBondContact N-OD2 3.37Å; S15-D18 WeakPolarHBondContact O-CB 3.28Å; S15-D18 PolarHBondContact O-N 3.14Å; S15-D18 PolarHBondContact OG-N 3.11Å; S15-D18 VanDerWaalsContact OG-N 3.15Å; S15-D18 PolarHBondContact OG-OD2 2.94Å; F16-D18 VanDerWaalsContact C-N 3.35Å; F16-D18 PolarHBondContact O-N 3.19Å; D18-A21 PolarHBondContact O-N 3.36Å; D18-S22 WeakPolarHBondContact O-CB 3.47Å; D18-S22 PolarHBondContact O-N 3.07Å
19	A	92.7	Very high	78.5	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.008	34%	0.34	C	S	.	.	H	α-helix	trans	-66.4	-36.3	179.5	0	0	0	0	0	112.3	S15 F16 S22 C23 Y153 W154	S15-A19 PolarHBondContact O-N 3.46Å; F16-A19 PolarHBondContact O-N 2.71Å; A19-S22 PolarHBondContact O-OG 3.49Å; A19-C23 PolarHBondContact O-N 3.4Å; A19-C23 PolarHBondContact O-SG 2.88Å; A19-Y153 HydrophobicContact CB-CD1 3.21Å; A19-Y153 HydrophobicContact CB-CD2 4.32Å; A19-Y153 HydrophobicContact CB-CE1 3.81Å; A19-Y153 HydrophobicContact CB-CG 3.52Å; A19-W154 HydrophobicContact CB-CD2 4.46Å; A19-W154 HydrophobicContact CB-CZ2 3.75Å; A19-W154 PolarHBondContact O-NE1 2.96Å
20	V	93.8	Very high	80.6	Confident	12 Å²	12	54.5 Å²	54.5	7%	0.073	33%	0.325	C	S	.	.	H	α-helix	trans	-68	-47.3	172	176.7	0	0	0	0	110.3	F16 S22 C23 F31 W154 H173 P174	F16-V20 HydrophobicContact CD1-CG2 3.95Å; F16-V20 HydrophobicContact CE1-CG2 3.51Å; F16-V20 HydrophobicContact CZ-CG2 3.83Å; F16-V20 WeakPolarHBondContact O-CG2 3.39Å; F16-V20 PolarHBondContact O-N 2.64Å; V20-S22 VanDerWaalsContact C-N 3.27Å; V20-S22 PolarHBondContact O-N 3.19Å; V20-C23 PolarHBondContact O-N 3.31Å; V20-F31 HydrophobicContact CG1-CB 4.4Å; V20-F31 WeakPolarHBondContact CG1-O 3.49Å; V20-W154 HydrophobicContact CG2-CH2 3.91Å; V20-W154 HydrophobicContact CG2-CZ2 3.84Å; V20-H173 PolarHBondContact O-CE1 2.95Å; V20-H173 PolarHBondContact O-NE2 3.07Å; V20-P174 HydrophobicContact CG1-CG 4.16Å
21	A	92.3	Very high	83	Confident	13 Å²	13	48.7 Å²	48.7	11%	0.107	29%	0.288	C	S	.	.	H	α-helix	trans	-61.3	-35.1	179.8	0	0	0	0	0	112.7	I17 D18 C23 G24 F31	I17-A21 WeakPolarHBondContact O-CB 3.37Å; I17-A21 PolarHBondContact O-N 2.94Å; D18-A21 PolarHBondContact O-N 3.36Å; A21-C23 VanDerWaalsContact C-N 3.33Å; A21-C23 PolarHBondContact O-N 2.82Å; A21-G24 PolarHBondContact O-N 3.38Å; A21-F31 HydrophobicContact CB-CB 4.37Å
22	S	89.6	Confident	85.5	Confident	32 Å²	32	46.3 Å²	46.3	22%	0.224	27%	0.27	C	S	.	.	H	α-helix	trans	-68.3	-29.5	-179.2	72.9	0	0	0	0	113.4	D18 A19 V20 G24 D151	D18-S22 WeakPolarHBondContact O-CB 3.47Å; D18-S22 PolarHBondContact O-N 3.07Å; A19-S22 PolarHBondContact O-OG 3.49Å; V20-S22 VanDerWaalsContact C-N 3.27Å; V20-S22 PolarHBondContact O-N 3.19Å; S22-G24 VanDerWaalsContact C-N 3.33Å; S22-D151 PolarHBondContact OG-OD2 3.47Å; S22-D151 VanDerWaalsContact OG-OD2 3.11Å
23	C	91.1	Very high	88.1	Confident	8 Å²	8	41.1 Å²	41.1	5%	0.054	23%	0.227	C	C	.	.	H	α-helix	trans	-80.8	-13.8	-179.3	-62.9	0	0	0	0	113.9	A19 V20 A21 N142 F143 T144 W154	A19-C23 PolarHBondContact O-N 3.4Å; A19-C23 PolarHBondContact O-SG 2.88Å; V20-C23 PolarHBondContact O-N 3.31Å; A21-C23 VanDerWaalsContact C-N 3.33Å; A21-C23 PolarHBondContact O-N 2.82Å; C23-N142 PolarHBondContact O-ND2 2.94Å; C23-F143 VanDerWaalsContact SG-C 3.52Å; C23-F143 VanDerWaalsContact SG-CA 3.52Å; C23-T144 WeakPolarHBondContact CA-O 3.33Å; C23-W154 PolarHBondContact SG-NE1 3.25Å
24	G	90.1	Very high	90.4	Very high	16 Å²	16	34.8 Å²	34.8	17%	0.165	19%	0.193	C	C	.	.	S	Bend	trans	-90.8	-162.4	-175.9	0	0	0	0	0	115.1	A21 S22 K26 H173 S175	A21-G24 PolarHBondContact O-N 3.38Å; S22-G24 VanDerWaalsContact C-N 3.33Å; G24-K26 PolarHBondContact O-N 2.89Å; G24-H173 WeakPolarHBondContact CA-CE1 3.4Å; G24-S175 VanDerWaalsContact CA-OG 3.22Å; G24-S175 WeakPolarHBondContact CA-OG 3.35Å
25	I	90	Very high	91.9	Very high	56 Å²	56	32.8 Å²	32.8	29%	0.287	18%	0.175	S	C	.	.			trans	-75.2	113	170.8	-60.6	169	0	0	0	107.5	E27 Q28 A29 S175 A179	I25-E27 VanDerWaalsContact C-N 3.29Å; I25-E27 VanDerWaalsContact CG2-OE2 3.3Å; I25-E27 WeakPolarHBondContact CG2-OE2 3.44Å; I25-E27 PolarHBondContact O-N 3.04Å; I25-Q28 HydrophobicContact CB-CB 4.35Å; I25-Q28 HydrophobicContact CB-CG 4.06Å; I25-Q28 HydrophobicContact CG2-CB 4.47Å; I25-Q28 HydrophobicContact CG2-CG 3.83Å; I25-Q28 WeakPolarHBondContact O-CB 3.44Å; I25-Q28 PolarHBondContact O-N 3.24Å; I25-A29 PolarHBondContact O-N 3.39Å; I25-S175 PolarHBondContact N-OG 3.07Å; I25-A179 HydrophobicContact CD1-CB 3.91Å
26	K	84.5	Confident	92.3	Very high	121 Å²	121	32 Å²	32	53%	0.526	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-41.8	-168.1	-67.2	179.9	-178.2	175.1	0	112.9	G24 Q28 A29 A146	G24-K26 PolarHBondContact O-N 2.89Å; K26-Q28 PolarHBondContact O-N 3.4Å; K26-A29 PolarHBondContact O-N 3.1Å; K26-A146 HydrophobicContact CD-CB 4.44Å; K26-A146 VanDerWaalsContact CE-CA 3.44Å; K26-A146 VanDerWaalsContact CE-CB 3.46Å; K26-A146 PolarHBondContact NZ-O 3.01Å
27	E	85.8	Confident	92.3	Very high	152 Å²	152	32 Å²	32	71%	0.71	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-26.9	-176.7	-58.6	70	-149.2	0	0	111.7	I25	I25-E27 VanDerWaalsContact C-N 3.29Å; I25-E27 VanDerWaalsContact CG2-OE2 3.3Å; I25-E27 WeakPolarHBondContact CG2-OE2 3.44Å; I25-E27 PolarHBondContact O-N 3.04Å
28	Q	88.6	Confident	91.7	Very high	50 Å²	50	32.5 Å²	32.5	23%	0.234	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-36.9	178.5	-60.9	-177.8	3.7	0	0	111.4	S4 I25 K26 I30 R71 S175	S4-Q28 WeakPolarHBondContact CB-O 3.3Å; I25-Q28 HydrophobicContact CB-CB 4.35Å; I25-Q28 HydrophobicContact CB-CG 4.06Å; I25-Q28 HydrophobicContact CG2-CB 4.47Å; I25-Q28 HydrophobicContact CG2-CG 3.83Å; I25-Q28 WeakPolarHBondContact O-CB 3.44Å; I25-Q28 PolarHBondContact O-N 3.24Å; K26-Q28 PolarHBondContact O-N 3.4Å; Q28-I30 HydrophobicContact CB-CD1 3.97Å; Q28-I30 HydrophobicContact CB-CG1 3.95Å; Q28-I30 PolarHBondContact O-N 3.04Å; Q28-I30 VanDerWaalsContact O-N 3.13Å; Q28-R71 PolarHBondContact O-NH2 2.88Å; Q28-S175 PolarHBondContact OE1-O 3.29Å
29	A	92.5	Very high	91.1	Very high	22 Å²	22	31.5 Å²	31.5	18%	0.182	18%	0.175	C	C	.	.			trans	49.2	34.5	-175.7	0	0	0	0	0	113.1	S4 K5 I25 K26	S4-A29 CarbonylContact C-O 3.46Å; S4-A29 WeakPolarHBondContact CA-O 3.44Å; S4-A29 WeakPolarHBondContact CB-O 3.39Å; K5-A29 HydrophobicContact CB-CB 4.48Å; K5-A29 PolarHBondContact N-O 2.98Å; I25-A29 PolarHBondContact O-N 3.39Å; K26-A29 PolarHBondContact O-N 3.1Å
30	I	95.2	Very high	91	Very high	9 Å²	9	35.3 Å²	35.3	5%	0.046	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	126.2	-179.6	-71.1	171.9	0	0	0	109.2	F2 W3 Q28 P174 A178	F2-I30 HydrophobicContact CB-CD1 4.17Å; F2-I30 HydrophobicContact CB-CG2 4.48Å; F2-I30 HydrophobicContact CD1-CD1 4.34Å; F2-I30 HydrophobicContact CD1-CG2 4.03Å; F2-I30 HydrophobicContact CG-CD1 4.49Å; W3-I30 CarbonylContact O-C 3.58Å; W3-I30 VanDerWaalsContact O-CA 3.29Å; W3-I30 WeakPolarHBondContact O-CA 3.41Å; Q28-I30 HydrophobicContact CB-CD1 3.97Å; Q28-I30 HydrophobicContact CB-CG1 3.95Å; Q28-I30 PolarHBondContact O-N 3.04Å; Q28-I30 VanDerWaalsContact O-N 3.13Å; I30-P174 HydrophobicContact CG2-CB 3.69Å; I30-P174 HydrophobicContact CG2-CG 4.11Å; I30-A178 HydrophobicContact CD1-CB 3.34Å
31	F	94.6	Very high	91.1	Very high	11 Å²	11	36.6 Å²	36.6	5%	0.048	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	-15.2	-178.4	64.3	-95.2	0	0	0	113.5	W3 K5 I17 V20 A21 M63	W3-F31 HydrophobicContact CB-CE1 4.12Å; W3-F31 HydrophobicContact CB-CE2 4.03Å; W3-F31 HydrophobicContact CB-CZ 3.77Å; W3-F31 WeakPolarHBondContact O-CD1 3.34Å; W3-F31 PolarHBondContact O-N 3.48Å; K5-F31 HydrophobicContact CG-CD1 3.84Å; K5-F31 HydrophobicContact CG-CE1 4.08Å; I17-F31 HydrophobicContact CB-CD2 4.49Å; I17-F31 HydrophobicContact CD1-CD2 4.44Å; I17-F31 HydrophobicContact CD1-CE2 4.29Å; I17-F31 HydrophobicContact CG1-CD2 4.11Å; I17-F31 HydrophobicContact CG1-CE2 4.46Å; I17-F31 HydrophobicContact CG2-CB 3.95Å; I17-F31 HydrophobicContact CG2-CD1 3.98Å; I17-F31 HydrophobicContact CG2-CD2 3.84Å; I17-F31 HydrophobicContact CG2-CE1 4.42Å; I17-F31 HydrophobicContact CG2-CE2 4.32Å; I17-F31 HydrophobicContact CG2-CG 3.66Å; V20-F31 HydrophobicContact CG1-CB 4.4Å; V20-F31 WeakPolarHBondContact CG1-O 3.49Å; A21-F31 HydrophobicContact CB-CB 4.37Å; F31-M63 HydrophobicContact CE2-CE 4.23Å; F31-M63 HydrophobicContact CZ-CE 4.21Å
32	H	97	Very high	91.4	Very high	13 Å²	13	36 Å²	36	6%	0.06	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	158.6	-176.5	-170.4	44.2	0	0	0	112.4	W3 H44 A45 Y59 C119	W3-H32 HydrophobicContact CB-CB 3.93Å; W3-H32 AromaticContact CD1-CD2 3.6Å; W3-H32 AromaticContact CD1-CG 3.88Å; W3-H32 HydrophobicContact CG-CB 4.1Å; W3-H32 PolarHBondContact N-O 2.87Å; W3-H32 AromaticContact NE1-CD2 3.93Å; W3-H32 PolarHBondContact O-N 3.31Å; H32-H44 AromaticContact NE2-CG 3.71Å; H32-H44 AromaticContact NE2-ND1 3.15Å; H32-H44 PolarHBondContact NE2-ND1 3Å; H32-H44 VanDerWaalsContact NE2-ND1 3.15Å; H32-A45 PolarHBondContact CE1-O 2.97Å; H32-A45 VanDerWaalsContact CE1-O 3.24Å; H32-Y59 PolarHBondContact CD2-OH 2.87Å; H32-C119 VanDerWaalsContact CE1-CB 3.41Å; H32-C119 WeakPolarHBondContact CE1-CB 3.2Å; H32-C119 WeakPolarHBondContact ND1-CB 3.24Å; H32-C119 PolarHBondContact ND1-SG 2.97Å
33	V	98.2	Very high	91.8	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	144.5	173.3	64.1	0	0	0	0	110.4	M1 F2 C119 C120 V123 P174 L177	M1-V33 CarbonylContact O-C 3.59Å; M1-V33 WeakPolarHBondContact O-CA 3.28Å; M1-V33 WeakPolarHBondContact O-CG2 3.45Å; F2-V33 HydrophobicContact CD1-CB 3.82Å; F2-V33 HydrophobicContact CD1-CG2 3.69Å; F2-V33 HydrophobicContact CD2-CG2 4.31Å; F2-V33 HydrophobicContact CE1-CB 3.82Å; F2-V33 HydrophobicContact CE1-CG2 3.44Å; F2-V33 VanDerWaalsContact CE1-CG2 3.44Å; F2-V33 HydrophobicContact CE2-CG2 4.07Å; F2-V33 HydrophobicContact CG-CG2 4.15Å; F2-V33 HydrophobicContact CZ-CG2 3.66Å; V33-C119 HydrophobicContact CG1-CB 4.04Å; V33-C120 VanDerWaalsContact CG1-CA 3.42Å; V33-C120 HydrophobicContact CG1-CB 3.6Å; V33-V123 HydrophobicContact CG1-CG2 4.07Å; V33-V123 HydrophobicContact CG2-CG2 4.13Å; V33-P174 HydrophobicContact CB-CB 4.34Å; V33-P174 HydrophobicContact CG1-CB 4.24Å; V33-L177 HydrophobicContact CG1-CD2 4.33Å; V33-L177 HydrophobicContact CG2-CD2 4.29Å
34	S	98	Very high	92.1	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.021	18%	0.182	C	C	.	.			trans	-137.1	159.7	175	60	0	0	0	0	111.5	M1 W3	M1-S34 PolarHBondContact N-O 3.43Å; M1-S34 PolarHBondContact O-N 3.3Å; W3-S34 PolarHBondContact NE1-OG 3.2Å
35	M	97.4	Very high	92.5	Very high	14 Å²	14	33.4 Å²	33.4	7%	0.069	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	137.7	168.8	-65.3	172.4	70.3	0	0	109.4	I42 V43 A88 V89 A92 V123 A126 Y127	M35-I42 CarbonylContact O-C 3.44Å; M35-I42 WeakPolarHBondContact O-CA 3.37Å; M35-V43 HydrophobicContact CB-CG1 3.82Å; M35-V43 PolarHBondContact N-O 2.83Å; M35-V43 PolarHBondContact O-N 3.38Å; M35-A88 HydrophobicContact CE-CB 3.95Å; M35-V89 HydrophobicContact CE-CB 4.43Å; M35-V89 HydrophobicContact CE-CG2 3.78Å; M35-A92 HydrophobicContact SD-CB 3.83Å; M35-V123 HydrophobicContact CG-CB 4.48Å; M35-V123 HydrophobicContact CG-CG1 4.21Å; M35-V123 HydrophobicContact CG-CG2 3.8Å; M35-V123 HydrophobicContact SD-CB 4.4Å; M35-V123 HydrophobicContact SD-CG1 4.26Å; M35-V123 HydrophobicContact SD-CG2 4.18Å; M35-A126 HydrophobicContact CE-CB 4.37Å; M35-A126 HydrophobicContact SD-CB 4.02Å; M35-Y127 HydrophobicContact CE-CD2 4.45Å; M35-Y127 HydrophobicContact CE-CE2 3.87Å
36	L	95	Very high	92.8	Very high	25 Å²	25	31.5 Å²	31.5	13%	0.131	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	129.9	169.4	-165.1	68.6	0	0	0	107.5	M1 S38 I42 L56 A204 F208	M1-L36 HydrophobicContact SD-CD1 4.18Å; L36-S38 WeakPolarHBondContact CD1-O 3.35Å; L36-S38 VanDerWaalsContact CG-O 3.25Å; L36-S38 WeakPolarHBondContact CG-O 3.45Å; L36-I42 HydrophobicContact CD1-CG2 4.01Å; L36-L56 HydrophobicContact CD1-CD2 4.19Å; L36-A204 HydrophobicContact CD2-CB 4.23Å; L36-F208 HydrophobicContact CD2-CB 3.72Å; L36-F208 HydrophobicContact CD2-CD1 4.43Å; L36-F208 HydrophobicContact CD2-CD2 3.3Å; L36-F208 HydrophobicContact CD2-CE2 3.97Å; L36-F208 HydrophobicContact CD2-CG 3.58Å
37	T	91.4	Very high	93.3	Very high	32 Å²	32	28.9 Å²	28.9	20%	0.196	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-39.6	-173.9	57.2	0	0	0	0	111.6	T41 V43 V89 Q93	T37-T41 PolarHBondContact N-O 2.87Å; T37-T41 VanDerWaalsContact OG1-CB 3.26Å; T37-T41 WeakPolarHBondContact OG1-CB 3.27Å; T37-T41 WeakPolarHBondContact OG1-CG2 3.18Å; T37-T41 PolarHBondContact OG1-O 3.35Å; T37-V43 HydrophobicContact CG2-CB 3.71Å; T37-V43 HydrophobicContact CG2-CG1 3.45Å; T37-V43 VanDerWaalsContact CG2-CG1 3.45Å; T37-V89 HydrophobicContact CG2-CG1 3.79Å; T37-Q93 HydrophobicContact CG2-CG 3.85Å
38	S	78.4	Confident	93.7	Very high	58 Å²	58	28.5 Å²	28.5	41%	0.406	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	161	161.6	60.7	0	0	0	0	105.9	L36 H40 T41	L36-S38 WeakPolarHBondContact CD1-O 3.35Å; L36-S38 VanDerWaalsContact CG-O 3.25Å; L36-S38 WeakPolarHBondContact CG-O 3.45Å; S38-H40 PolarHBondContact O-N 2.82Å; S38-T41 PolarHBondContact O-N 3.44Å; S38-T41 VanDerWaalsContact O-O 3.14Å; S38-T41 VanDerWaalsContact OG-CB 3.29Å; S38-T41 WeakPolarHBondContact OG-CB 3.25Å; S38-T41 PolarHBondContact OG-OG1 2.9Å; S38-T41 VanDerWaalsContact OG-OG1 3.11Å
39	G	78	Confident	94.1	Very high	11 Å²	11	30.7 Å²	30.7	11%	0.113	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-13.7	-179.6	0	0	0	0	0	116.7	R205	G39-R205 WeakPolarHBondContact O-CA 3.23Å; G39-R205 PolarHBondContact O-N 2.71Å
40	H	90.1	Very high	94.4	Very high	82 Å²	82	29.8 Å²	29.8	38%	0.38	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-6.9	-179.1	-57.9	-88.6	0	0	0	115.8	S38 S55 L56 R205	S38-H40 PolarHBondContact O-N 2.82Å; H40-S55 WeakPolarHBondContact O-CA 3.25Å; H40-L56 WeakPolarHBondContact O-CB 3.43Å; H40-L56 PolarHBondContact O-N 3.25Å; H40-R205 WeakPolarHBondContact CE1-CD 3.19Å; H40-R205 WeakPolarHBondContact NE2-CD 3.41Å; H40-R205 WeakPolarHBondContact NE2-CG 3.19Å
41	T	95.7	Very high	94.5	Very high	39 Å²	39	29.5 Å²	29.5	24%	0.239	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	134.1	-169.9	-54.3	0	0	0	0	109.7	T37 S38 S53 E54	T37-T41 PolarHBondContact N-O 2.87Å; T37-T41 VanDerWaalsContact OG1-CB 3.26Å; T37-T41 WeakPolarHBondContact OG1-CB 3.27Å; T37-T41 WeakPolarHBondContact OG1-CG2 3.18Å; T37-T41 PolarHBondContact OG1-O 3.35Å; S38-T41 PolarHBondContact O-N 3.44Å; S38-T41 VanDerWaalsContact O-O 3.14Å; S38-T41 VanDerWaalsContact OG-CB 3.29Å; S38-T41 WeakPolarHBondContact OG-CB 3.25Å; S38-T41 PolarHBondContact OG-OG1 2.9Å; S38-T41 VanDerWaalsContact OG-OG1 3.11Å; T41-S53 VanDerWaalsContact CG2-OG 3.25Å; T41-S53 WeakPolarHBondContact CG2-OG 2.98Å; T41-E54 WeakPolarHBondContact CA-O 3.46Å; T41-E54 WeakPolarHBondContact CG2-O 3.4Å
42	I	97.5	Very high	94.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	154.2	174.5	56.5	175.3	0	0	0	110.9	M1 W3 M35 L36 S53 E54 L56 Y59	M1-I42 HydrophobicContact SD-CG2 3.92Å; W3-I42 HydrophobicContact CZ2-CD1 4.46Å; M35-I42 CarbonylContact O-C 3.44Å; M35-I42 WeakPolarHBondContact O-CA 3.37Å; L36-I42 HydrophobicContact CD1-CG2 4.01Å; I42-S53 CarbonylContact O-C 3.49Å; I42-S53 WeakPolarHBondContact O-CA 3.34Å; I42-S53 PolarHBondContact O-OG 2.81Å; I42-E54 HydrophobicContact CG1-CG 4.26Å; I42-E54 PolarHBondContact N-O 2.68Å; I42-E54 PolarHBondContact O-N 2.92Å; I42-L56 HydrophobicContact CD1-CD1 4.44Å; I42-L56 HydrophobicContact CG2-CB 4.22Å; I42-L56 HydrophobicContact CG2-CD1 3.98Å; I42-Y59 HydrophobicContact CD1-CD1 3.92Å; I42-Y59 HydrophobicContact CD1-CG 4.01Å
43	V	98.4	Very high	94.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.9	160.7	64.6	0	0	0	0	108.5	M35 T37 V51 I52 A92 V96 L122	M35-V43 HydrophobicContact CB-CG1 3.82Å; M35-V43 PolarHBondContact N-O 2.83Å; M35-V43 PolarHBondContact O-N 3.38Å; T37-V43 HydrophobicContact CG2-CB 3.71Å; T37-V43 HydrophobicContact CG2-CG1 3.45Å; T37-V43 VanDerWaalsContact CG2-CG1 3.45Å; V43-V51 HydrophobicContact CG2-CG1 4.12Å; V43-I52 WeakPolarHBondContact CA-O 3.25Å; V43-A92 HydrophobicContact CG1-CB 3.74Å; V43-A92 HydrophobicContact CG2-CB 4.4Å; V43-V96 HydrophobicContact CG2-CG2 4.04Å; V43-L122 HydrophobicContact CG2-CD2 4.44Å
44	H	98.5	Very high	94.7	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	169.4	-177.7	59.3	-175	0	0	0	111.3	H32 V51 I52 E54 Y59	H32-H44 AromaticContact NE2-CG 3.71Å; H32-H44 AromaticContact NE2-ND1 3.15Å; H32-H44 PolarHBondContact NE2-ND1 3Å; H32-H44 VanDerWaalsContact NE2-ND1 3.15Å; H44-V51 WeakPolarHBondContact O-CA 3.21Å; H44-I52 VanDerWaalsContact CD2-CG2 3.48Å; H44-I52 WeakPolarHBondContact CD2-CG2 2.98Å; H44-I52 PolarHBondContact N-O 2.84Å; H44-I52 VanDerWaalsContact N-O 3.08Å; H44-I52 WeakPolarHBondContact NE2-CG2 3.47Å; H44-I52 PolarHBondContact O-N 2.87Å; H44-E54 IonicContact CE1-OE1 3.7Å; H44-E54 PolarHBondContact CE1-OE1 3.22Å; H44-E54 IonicContact NE2-OE1 2.82Å; H44-E54 PolarHBondContact NE2-OE1 3.31Å; H44-Y59 AromaticContact CE1-CD2 3.63Å; H44-Y59 AromaticContact CE1-CE2 3.52Å; H44-Y59 AromaticContact CE1-CZ 3.92Å
45	A	98.5	Very high	94.7	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.5	172.5	0	0	0	0	0	110.8	H32 G50 V51 Y100 Y117 L122	H32-A45 PolarHBondContact CE1-O 2.97Å; H32-A45 VanDerWaalsContact CE1-O 3.24Å; A45-G50 CarbonylContact C-O 3.55Å; A45-G50 VanDerWaalsContact CA-O 3.27Å; A45-G50 WeakPolarHBondContact CA-O 3.29Å; A45-V51 HydrophobicContact CB-CG2 4.11Å; A45-Y100 HydrophobicContact CB-CD2 4.34Å; A45-Y117 WeakPolarHBondContact CB-O 3.47Å; A45-L122 HydrophobicContact CB-CD2 4.46Å
46	T	96.7	Very high	94.7	Very high	15 Å²	15	34.9 Å²	34.9	9%	0.092	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	152.1	179.1	63.8	0	0	0	0	110.5	Q48 N49 G50 Y100	T46-Q48 PolarHBondContact O-N 3.26Å; T46-N49 PolarHBondContact O-N 2.9Å; T46-N49 WeakPolarHBondContact OG1-CB 3.36Å; T46-N49 PolarHBondContact OG1-N 3.03Å; T46-N49 PolarHBondContact OG1-ND2 3.11Å; T46-G50 PolarHBondContact N-O 2.59Å; T46-G50 WeakPolarHBondContact O-CA 3.26Å; T46-G50 PolarHBondContact O-N 2.82Å; T46-Y100 WeakPolarHBondContact O-CB 3.48Å; T46-Y100 WeakPolarHBondContact O-CD2 3.41Å
47	E	94.3	Very high	94.8	Very high	66 Å²	66	35.7 Å²	35.7	31%	0.308	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-39	-179.9	-177.3	-178.6	-156.8	0	0	111.7	Y100	E47-Y100 HydrophobicContact CB-CD1 4.43Å; E47-Y100 HydrophobicContact CB-CE1 4.48Å
48	Q	93.7	Very high	95	Very high	145 Å²	145	37.9 Å²	37.9	68%	0.678	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-37.6	-174	-62.5	73.6	23.7	0	0	113.1	T46	T46-Q48 PolarHBondContact O-N 3.26Å
49	N	96.8	Very high	95.9	Very high	96 Å²	96	36 Å²	36	51%	0.513	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-2.2	-169.3	-55.1	-66.2	0	0	0	114.1	T46 I52	T46-N49 PolarHBondContact O-N 2.9Å; T46-N49 WeakPolarHBondContact OG1-CB 3.36Å; T46-N49 PolarHBondContact OG1-N 3.03Å; T46-N49 PolarHBondContact OG1-ND2 3.11Å; N49-I52 HydrophobicContact CB-CB 4.4Å; N49-I52 HydrophobicContact CB-CD1 4.3Å; N49-I52 HydrophobicContact CB-CG2 4.34Å
50	G	98.4	Very high	96.7	Very high	3 Å²	3	35.5 Å²	35.5	3%	0.031	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.7	-142.2	-167.6	0	0	0	0	0	111	A45 T46 I52 C98	A45-G50 CarbonylContact C-O 3.55Å; A45-G50 VanDerWaalsContact CA-O 3.27Å; A45-G50 WeakPolarHBondContact CA-O 3.29Å; T46-G50 PolarHBondContact N-O 2.59Å; T46-G50 WeakPolarHBondContact O-CA 3.26Å; T46-G50 PolarHBondContact O-N 2.82Å; G50-I52 PolarHBondContact O-N 3.18Å; G50-C98 CarbonylContact C-O 3.57Å; G50-C98 WeakPolarHBondContact CA-O 3.42Å
51	V	98.8	Very high	97	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	118.1	177.5	-174.2	0	0	0	0	110	V43 H44 A45 K95 V96 G97 C98 Y117 L122	V43-V51 HydrophobicContact CG2-CG1 4.12Å; H44-V51 WeakPolarHBondContact O-CA 3.21Å; A45-V51 HydrophobicContact CB-CG2 4.11Å; V51-K95 WeakPolarHBondContact CB-O 3.31Å; V51-K95 HydrophobicContact CG1-CB 4.14Å; V51-K95 WeakPolarHBondContact CG1-O 3.47Å; V51-K95 HydrophobicContact CG2-CB 4.44Å; V51-V96 HydrophobicContact CG1-CG2 4.28Å; V51-V96 WeakPolarHBondContact O-CA 3.15Å; V51-G97 PolarHBondContact O-N 2.72Å; V51-C98 HydrophobicContact CB-CB 4.4Å; V51-C98 HydrophobicContact CG2-CB 3.97Å; V51-C98 PolarHBondContact N-O 2.96Å; V51-Y117 HydrophobicContact CG2-CD2 3.86Å; V51-Y117 HydrophobicContact CG2-CG 4.26Å; V51-L122 HydrophobicContact CG1-CD1 4.2Å; V51-L122 HydrophobicContact CG1-CD2 3.9Å; V51-L122 HydrophobicContact CG2-CD1 4.15Å; V51-L122 HydrophobicContact CG2-CD2 4.43Å
52	I	98.6	Very high	96.9	Very high	49 Å²	49	38 Å²	38	25%	0.251	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	152.4	179.8	-169.1	167.8	0	0	0	110.5	V43 H44 N49 G50	V43-I52 WeakPolarHBondContact CA-O 3.25Å; H44-I52 VanDerWaalsContact CD2-CG2 3.48Å; H44-I52 WeakPolarHBondContact CD2-CG2 2.98Å; H44-I52 PolarHBondContact N-O 2.84Å; H44-I52 VanDerWaalsContact N-O 3.08Å; H44-I52 WeakPolarHBondContact NE2-CG2 3.47Å; H44-I52 PolarHBondContact O-N 2.87Å; N49-I52 HydrophobicContact CB-CB 4.4Å; N49-I52 HydrophobicContact CB-CD1 4.3Å; N49-I52 HydrophobicContact CB-CG2 4.34Å; G50-I52 PolarHBondContact O-N 3.18Å
53	S	98	Very high	96.7	Very high	42 Å²	42	39.1 Å²	39.1	29%	0.294	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.6	165.3	-171.5	0	0	0	0	110.2	T41 I42	T41-S53 VanDerWaalsContact CG2-OG 3.25Å; T41-S53 WeakPolarHBondContact CG2-OG 2.98Å; I42-S53 CarbonylContact O-C 3.49Å; I42-S53 WeakPolarHBondContact O-CA 3.34Å; I42-S53 PolarHBondContact O-OG 2.81Å
54	E	97.5	Very high	96.4	Very high	25 Å²	25	40.1 Å²	40.1	12%	0.117	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	166.7	-176.4	63.4	169.3	151.5	0	0	113.5	T41 I42 H44 L56 Y59 R62	T41-E54 WeakPolarHBondContact CA-O 3.46Å; T41-E54 WeakPolarHBondContact CG2-O 3.4Å; I42-E54 HydrophobicContact CG1-CG 4.26Å; I42-E54 PolarHBondContact N-O 2.68Å; I42-E54 PolarHBondContact O-N 2.92Å; H44-E54 IonicContact CE1-OE1 3.7Å; H44-E54 PolarHBondContact CE1-OE1 3.22Å; H44-E54 IonicContact NE2-OE1 2.82Å; H44-E54 PolarHBondContact NE2-OE1 3.31Å; E54-L56 PolarHBondContact O-N 3.26Å; E54-Y59 WeakPolarHBondContact OE1-CD2 3.38Å; E54-R62 IonicContact OE1-CZ 3.49Å; E54-R62 IonicContact OE1-NH2 3.21Å; E54-R62 PolarHBondContact OE1-NH2 3.16Å; E54-R62 IonicContact OE2-CZ 2.77Å; E54-R62 IonicContact OE2-NH1 2.68Å; E54-R62 PolarHBondContact OE2-NH1 2.84Å; E54-R62 IonicContact OE2-NH2 2.84Å; E54-R62 PolarHBondContact OE2-NH2 2.8Å
55	S	97.1	Very high	96.2	Very high	40 Å²	40	46.7 Å²	46.7	28%	0.28	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	126.3	176.2	168.6	0	0	0	0	111.3	H40 F57 N58 Y59	H40-S55 WeakPolarHBondContact O-CA 3.25Å; S55-F57 VanDerWaalsContact C-N 3.32Å; S55-F57 PolarHBondContact O-N 3.01Å; S55-F57 PolarHBondContact OG-N 3.3Å; S55-N58 PolarHBondContact O-N 2.94Å; S55-N58 PolarHBondContact OG-N 3.42Å; S55-Y59 PolarHBondContact O-N 3.28Å
56	L	97	Very high	95.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-54.9	-47.4	175.5	174.5	57	0	0	0	111.3	M1 W3 L36 H40 I42 E54 Y59 L60 A204	M1-L56 HydrophobicContact CE-CD1 3.87Å; M1-L56 HydrophobicContact CE-CD2 3.76Å; M1-L56 HydrophobicContact CE-CG 4.48Å; M1-L56 HydrophobicContact SD-CD1 3.81Å; M1-L56 HydrophobicContact SD-CD2 3.89Å; W3-L56 HydrophobicContact CH2-CD1 3.73Å; W3-L56 HydrophobicContact CZ2-CD1 3.95Å; L36-L56 HydrophobicContact CD1-CD2 4.19Å; H40-L56 WeakPolarHBondContact O-CB 3.43Å; H40-L56 PolarHBondContact O-N 3.25Å; I42-L56 HydrophobicContact CD1-CD1 4.44Å; I42-L56 HydrophobicContact CG2-CB 4.22Å; I42-L56 HydrophobicContact CG2-CD1 3.98Å; E54-L56 PolarHBondContact O-N 3.26Å; L56-Y59 PolarHBondContact O-N 2.98Å; L56-L60 HydrophobicContact CD1-CD1 3.81Å; L56-L60 HydrophobicContact CD1-CG 4.11Å; L56-L60 HydrophobicContact CG-CD1 3.81Å; L56-L60 WeakPolarHBondContact O-CB 3.47Å; L56-L60 WeakPolarHBondContact O-CD1 3.49Å; L56-L60 VanDerWaalsContact O-CG 3.27Å; L56-L60 WeakPolarHBondContact O-CG 3.19Å; L56-L60 PolarHBondContact O-N 2.88Å; L56-A204 HydrophobicContact CD2-CB 3.57Å
57	F	97	Very high	95.3	Very high	42 Å²	42	54.1 Å²	54.1	18%	0.184	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-43.8	178.7	177	-114.2	0	0	0	112.3	S55 Y59 L60 K61 I194 A197 M198	S55-F57 VanDerWaalsContact C-N 3.32Å; S55-F57 PolarHBondContact O-N 3.01Å; S55-F57 PolarHBondContact OG-N 3.3Å; F57-Y59 VanDerWaalsContact C-N 3.34Å; F57-Y59 PolarHBondContact O-N 3.47Å; F57-L60 PolarHBondContact O-N 3.27Å; F57-K61 HydrophobicContact CE1-CD 4.23Å; F57-K61 HydrophobicContact CZ-CD 4.31Å; F57-K61 WeakPolarHBondContact O-CB 3.37Å; F57-K61 PolarHBondContact O-N 3.13Å; F57-I194 HydrophobicContact CE2-CG2 4.3Å; F57-I194 HydrophobicContact CZ-CG2 4.06Å; F57-A197 HydrophobicContact CD2-CB 4.33Å; F57-A197 HydrophobicContact CE2-CB 4.2Å; F57-M198 HydrophobicContact CD2-CB 4.25Å; F57-M198 HydrophobicContact CE2-CB 3.77Å; F57-M198 HydrophobicContact CE2-CE 4.42Å; F57-M198 HydrophobicContact CZ-CE 4.14Å
58	N	96.8	Very high	95	Very high	79 Å²	79	51.5 Å²	51.5	42%	0.422	27%	0.267	S	S	.	.	H	α-helix	trans	-65.2	-40	178.7	-72.8	-22.1	0	0	0	111.6	S55 K61 R62	S55-N58 PolarHBondContact O-N 2.94Å; S55-N58 PolarHBondContact OG-N 3.42Å; N58-K61 PolarHBondContact O-N 3.46Å; N58-R62 WeakPolarHBondContact O-CG 3.45Å; N58-R62 PolarHBondContact O-N 3.49Å
59	Y	96	Very high	94.9	Very high	19 Å²	19	48.4 Å²	48.4	8%	0.075	25%	0.252	C	S	.	.	H	α-helix	trans	-60.4	-52.1	174	179.8	-104.8	0	0	0	111.7	W3 H32 I42 H44 E54 S55 L56 F57 K61 R62 M63	W3-Y59 HydrophobicContact CD2-CE1 4.32Å; W3-Y59 HydrophobicContact CE3-CE1 4.41Å; W3-Y59 AromaticContact CH2-CD1 3.88Å; W3-Y59 HydrophobicContact CH2-CD1 3.88Å; W3-Y59 HydrophobicContact CH2-CE1 4.01Å; W3-Y59 AromaticContact CZ2-CD1 3.96Å; W3-Y59 HydrophobicContact CZ2-CD1 3.96Å; W3-Y59 AromaticContact CZ2-CE1 3.9Å; W3-Y59 HydrophobicContact CZ2-CE1 3.9Å; W3-Y59 HydrophobicContact CZ3-CD1 4.42Å; W3-Y59 HydrophobicContact CZ3-CE1 4.25Å; H32-Y59 PolarHBondContact CD2-OH 2.87Å; I42-Y59 HydrophobicContact CD1-CD1 3.92Å; I42-Y59 HydrophobicContact CD1-CG 4.01Å; H44-Y59 AromaticContact CE1-CD2 3.63Å; H44-Y59 AromaticContact CE1-CE2 3.52Å; H44-Y59 AromaticContact CE1-CZ 3.92Å; E54-Y59 WeakPolarHBondContact OE1-CD2 3.38Å; S55-Y59 PolarHBondContact O-N 3.28Å; L56-Y59 PolarHBondContact O-N 2.98Å; F57-Y59 VanDerWaalsContact C-N 3.34Å; F57-Y59 PolarHBondContact O-N 3.47Å; Y59-K61 VanDerWaalsContact C-N 3.31Å; Y59-K61 PolarHBondContact O-N 3.49Å; Y59-R62 PolarHBondContact O-N 2.77Å; Y59-M63 HydrophobicContact CD1-CG 4.37Å; Y59-M63 HydrophobicContact CE1-CG 3.97Å; Y59-M63 HydrophobicContact CE2-CG 4.26Å; Y59-M63 HydrophobicContact CE2-SD 4.29Å; Y59-M63 WeakPolarHBondContact O-CG 3.35Å; Y59-M63 PolarHBondContact O-N 3.42Å
60	L	95.8	Very high	94.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-55.2	-45.9	176.3	-74.6	162.5	0	0	0	112.1	W3 L56 F57 R62 M63 V64 M70 V72 V191 A197 C200	W3-L60 HydrophobicContact CH2-CD2 3.56Å; W3-L60 HydrophobicContact CH2-CG 3.93Å; W3-L60 HydrophobicContact CZ3-CD2 3.33Å; W3-L60 HydrophobicContact CZ3-CG 4.17Å; L56-L60 HydrophobicContact CD1-CD1 3.81Å; L56-L60 HydrophobicContact CD1-CG 4.11Å; L56-L60 HydrophobicContact CG-CD1 3.81Å; L56-L60 WeakPolarHBondContact O-CB 3.47Å; L56-L60 WeakPolarHBondContact O-CD1 3.49Å; L56-L60 VanDerWaalsContact O-CG 3.27Å; L56-L60 WeakPolarHBondContact O-CG 3.19Å; L56-L60 PolarHBondContact O-N 2.88Å; F57-L60 PolarHBondContact O-N 3.27Å; L60-R62 VanDerWaalsContact C-N 3.35Å; L60-R62 PolarHBondContact O-N 3.38Å; L60-M63 PolarHBondContact O-N 3.41Å; L60-V64 WeakPolarHBondContact O-CG2 3.08Å; L60-V64 PolarHBondContact O-N 2.93Å; L60-M70 HydrophobicContact CD2-SD 4.31Å; L60-V72 HydrophobicContact CD2-CG2 4.1Å; L60-V191 HydrophobicContact CD2-CB 4.38Å; L60-V191 HydrophobicContact CD2-CG1 4.04Å; L60-V191 HydrophobicContact CD2-CG2 4.05Å; L60-A197 HydrophobicContact CB-CB 3.65Å; L60-A197 HydrophobicContact CD1-CB 4.48Å; L60-A197 WeakPolarHBondContact CD1-O 3.21Å; L60-C200 HydrophobicContact CD1-CB 4.06Å
61	K	96	Very high	94.7	Very high	69 Å²	69	47.4 Å²	47.4	30%	0.3	24%	0.24	S	C	.	.	H	α-helix	trans	-62.2	-39.6	179.5	-179	179.7	179.9	179.7	0	112	F57 N58 Y59 K65 I194	F57-K61 HydrophobicContact CE1-CD 4.23Å; F57-K61 HydrophobicContact CZ-CD 4.31Å; F57-K61 WeakPolarHBondContact O-CB 3.37Å; F57-K61 PolarHBondContact O-N 3.13Å; N58-K61 PolarHBondContact O-N 3.46Å; Y59-K61 VanDerWaalsContact C-N 3.31Å; Y59-K61 PolarHBondContact O-N 3.49Å; K61-K65 HydrophobicContact CG-CD 4.47Å; K61-K65 WeakPolarHBondContact O-CB 3.49Å; K61-K65 VanDerWaalsContact O-CG 3.28Å; K61-K65 WeakPolarHBondContact O-CG 3.38Å; K61-K65 PolarHBondContact O-N 3.43Å; K61-K65 VanDerWaalsContact O-N 3.12Å; K61-I194 HydrophobicContact CG-CD1 4.45Å; K61-I194 HydrophobicContact CG-CG1 4.4Å
62	R	94.6	Very high	94.6	Very high	104 Å²	104	47.3 Å²	47.3	39%	0.392	24%	0.24	S	C	.	.	H	α-helix	trans	-65.4	-49.8	175.2	-71.3	-166.9	-47	-93.1	0.6	110.8	E54 N58 Y59 L60 V64 K65 D66	E54-R62 IonicContact OE1-CZ 3.49Å; E54-R62 IonicContact OE1-NH2 3.21Å; E54-R62 PolarHBondContact OE1-NH2 3.16Å; E54-R62 IonicContact OE2-CZ 2.77Å; E54-R62 IonicContact OE2-NH1 2.68Å; E54-R62 PolarHBondContact OE2-NH1 2.84Å; E54-R62 IonicContact OE2-NH2 2.84Å; E54-R62 PolarHBondContact OE2-NH2 2.8Å; N58-R62 WeakPolarHBondContact O-CG 3.45Å; N58-R62 PolarHBondContact O-N 3.49Å; Y59-R62 PolarHBondContact O-N 2.77Å; L60-R62 VanDerWaalsContact C-N 3.35Å; L60-R62 PolarHBondContact O-N 3.38Å; R62-V64 VanDerWaalsContact C-N 3.31Å; R62-V64 PolarHBondContact O-N 3.21Å; R62-K65 WeakPolarHBondContact O-CB 3.42Å; R62-K65 PolarHBondContact O-N 3.48Å; R62-D66 VanDerWaalsContact O-CG 3.29Å; R62-D66 PolarHBondContact O-N 2.79Å
63	M	92.3	Very high	94.5	Very high	23 Å²	23	45.3 Å²	45.3	11%	0.113	23%	0.23	C	C	.	.	H	α-helix	trans	-57	-43.1	179.7	-66.3	-67.7	-62.9	0	0	112.9	I17 F31 Y59 L60 D66 G67 C68 M70	I17-M63 HydrophobicContact CD1-CE 4.28Å; F31-M63 HydrophobicContact CE2-CE 4.23Å; F31-M63 HydrophobicContact CZ-CE 4.21Å; Y59-M63 HydrophobicContact CD1-CG 4.37Å; Y59-M63 HydrophobicContact CE1-CG 3.97Å; Y59-M63 HydrophobicContact CE2-CG 4.26Å; Y59-M63 HydrophobicContact CE2-SD 4.29Å; Y59-M63 WeakPolarHBondContact O-CG 3.35Å; Y59-M63 PolarHBondContact O-N 3.42Å; L60-M63 PolarHBondContact O-N 3.41Å; M63-D66 PolarHBondContact O-N 2.87Å; M63-G67 PolarHBondContact O-N 3.08Å; M63-C68 HydrophobicContact CB-CB 4.36Å; M63-C68 HydrophobicContact CE-CB 3.85Å; M63-C68 VanDerWaalsContact CE-SG 3.58Å; M63-C68 WeakPolarHBondContact O-CA 3.43Å; M63-C68 WeakPolarHBondContact O-CB 3.15Å; M63-C68 PolarHBondContact O-N 2.98Å; M63-M70 HydrophobicContact CB-CE 3.28Å; M63-M70 HydrophobicContact CB-SD 4.21Å; M63-M70 HydrophobicContact CE-CE 4.09Å; M63-M70 HydrophobicContact CG-CE 4.07Å
64	V	92.6	Very high	94.4	Very high	22 Å²	22	43.3 Å²	43.3	13%	0.133	22%	0.216	C	C	.	.	H	α-helix	trans	-63.6	-42.5	175.2	165	0	0	0	0	111.9	L60 R62 D66 G67 V191 I194	L60-V64 WeakPolarHBondContact O-CG2 3.08Å; L60-V64 PolarHBondContact O-N 2.93Å; R62-V64 VanDerWaalsContact C-N 3.31Å; R62-V64 PolarHBondContact O-N 3.21Å; V64-D66 PolarHBondContact O-N 3.49Å; V64-G67 WeakPolarHBondContact O-CA 3.45Å; V64-G67 PolarHBondContact O-N 2.95Å; V64-V191 HydrophobicContact CG2-CG1 3.63Å; V64-I194 HydrophobicContact CG1-CG1 4.49Å
65	K	93.1	Very high	94.3	Very high	138 Å²	138	43.2 Å²	43.2	60%	0.6	22%	0.216	S	C	*	.	H	α-helix	trans	-64.2	-31.3	177.9	-79.5	-179.9	170.7	-161.2	0	112.5	K61 R62 G67	K61-K65 HydrophobicContact CG-CD 4.47Å; K61-K65 WeakPolarHBondContact O-CB 3.49Å; K61-K65 VanDerWaalsContact O-CG 3.28Å; K61-K65 WeakPolarHBondContact O-CG 3.38Å; K61-K65 PolarHBondContact O-N 3.43Å; K61-K65 VanDerWaalsContact O-N 3.12Å; R62-K65 WeakPolarHBondContact O-CB 3.42Å; R62-K65 PolarHBondContact O-N 3.48Å; K65-G67 PolarHBondContact O-N 2.86Å
66	D	89.4	Confident	94.2	Very high	131 Å²	131	42.9 Å²	42.9	70%	0.701	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	8.8	174.5	-59.1	-20.1	0	0	0	112.1	R62 M63 V64 C68	R62-D66 VanDerWaalsContact O-CG 3.29Å; R62-D66 PolarHBondContact O-N 2.79Å; M63-D66 PolarHBondContact O-N 2.87Å; V64-D66 PolarHBondContact O-N 3.49Å; D66-C68 VanDerWaalsContact C-N 3.31Å; D66-C68 PolarHBondContact O-N 3.21Å
67	G	87.8	Confident	94.1	Very high	42 Å²	42	43.6 Å²	43.6	43%	0.433	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	12.8	177.2	0	0	0	0	0	114	Q9 M63 V64 K65 E69	Q9-G67 PolarHBondContact NE2-O 2.68Å; M63-G67 PolarHBondContact O-N 3.08Å; V64-G67 WeakPolarHBondContact O-CA 3.45Å; V64-G67 PolarHBondContact O-N 2.95Å; K65-G67 PolarHBondContact O-N 2.86Å; G67-E69 PolarHBondContact O-N 3.35Å
68	C	87.6	Confident	94.1	Very high	11 Å²	11	44 Å²	44	7%	0.074	22%	0.219	C	C	.	.			trans	-84.3	112.4	178.4	-167.8	0	0	0	0	110.8	M63 D66 M70	M63-C68 HydrophobicContact CB-CB 4.36Å; M63-C68 HydrophobicContact CE-CB 3.85Å; M63-C68 VanDerWaalsContact CE-SG 3.58Å; M63-C68 WeakPolarHBondContact O-CA 3.43Å; M63-C68 WeakPolarHBondContact O-CB 3.15Å; M63-C68 PolarHBondContact O-N 2.98Å; D66-C68 VanDerWaalsContact C-N 3.31Å; D66-C68 PolarHBondContact O-N 3.21Å; C68-M70 HydrophobicContact CB-CE 3.94Å; C68-M70 WeakPolarHBondContact O-CE 3.48Å
69	E	91.9	Very high	94	Very high	79 Å²	79	47.5 Å²	47.5	37%	0.369	23%	0.233	S	C	.	.			trans	-90.4	126	167.9	-62.5	-169.5	166.4	0	0	110.5	L6 G67 R192	L6-E69 HydrophobicContact CB-CB 3.97Å; L6-E69 HydrophobicContact CD1-CB 3.93Å; L6-E69 PolarHBondContact N-O 2.95Å; L6-E69 VanDerWaalsContact N-O 3.12Å; G67-E69 PolarHBondContact O-N 3.35Å; E69-R192 HydrophobicContact CB-CG 4.45Å; E69-R192 HydrophobicContact CG-CB 4.22Å; E69-R192 HydrophobicContact CG-CG 4.27Å
70	M	94.1	Very high	93.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	157	-174.1	68.6	-153.9	70	0	0	114.3	W3 S4 L6 L60 M63 C68 V72 V191	W3-M70 HydrophobicContact CE3-CG 4.24Å; W3-M70 HydrophobicContact CE3-SD 3.51Å; W3-M70 VanDerWaalsContact CE3-SD 3.51Å; W3-M70 HydrophobicContact CZ3-CG 4.47Å; W3-M70 HydrophobicContact CZ3-SD 3.59Å; W3-M70 VanDerWaalsContact CZ3-SD 3.59Å; S4-M70 CarbonylContact O-C 3.33Å; S4-M70 WeakPolarHBondContact O-CA 3.34Å; S4-M70 WeakPolarHBondContact O-CB 3.27Å; L6-M70 WeakPolarHBondContact CD1-O 3.37Å; L60-M70 HydrophobicContact CD2-SD 4.31Å; M63-M70 HydrophobicContact CB-CE 3.28Å; M63-M70 HydrophobicContact CB-SD 4.21Å; M63-M70 HydrophobicContact CE-CE 4.09Å; M63-M70 HydrophobicContact CG-CE 4.07Å; C68-M70 HydrophobicContact CB-CE 3.94Å; C68-M70 WeakPolarHBondContact O-CE 3.48Å; M70-V72 HydrophobicContact CG-CG2 3.95Å; M70-V72 HydrophobicContact SD-CG2 4.46Å; M70-V191 HydrophobicContact CG-CB 4.02Å; M70-V191 PolarHBondContact N-O 3.34Å; M70-V191 PolarHBondContact O-N 3.37Å
71	R	96.1	Very high	93.9	Very high	78 Å²	78	52.3 Å²	52.3	29%	0.294	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	131.5	160.7	-76.3	174.3	-69.3	136.6	2.1	108.6	S4 K5 L6 Q28 T188 L189	S4-R71 PolarHBondContact N-O 3.39Å; S4-R71 PolarHBondContact O-N 3.21Å; S4-R71 VanDerWaalsContact OG-CB 3.26Å; S4-R71 WeakPolarHBondContact OG-CB 3.4Å; S4-R71 PolarHBondContact OG-O 2.88Å; K5-R71 PolarHBondContact O-NH2 3.47Å; L6-R71 HydrophobicContact CD2-CG 3.49Å; L6-R71 VanDerWaalsContact CD2-CG 3.49Å; L6-R71 HydrophobicContact CG-CG 3.86Å; Q28-R71 PolarHBondContact O-NH2 2.88Å; R71-T188 HydrophobicContact CB-CG2 4.05Å; R71-T188 HydrophobicContact CG-CG2 4.33Å; R71-L189 CarbonylContact C-O 3.44Å; R71-L189 WeakPolarHBondContact CA-O 3.42Å
72	V	96.8	Very high	93.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	113.7	178.4	-167.7	0	0	0	0	108.5	M1 F2 W3 L60 M70 L74 T188 L189 V191	M1-V72 HydrophobicContact CB-CG1 4.48Å; M1-V72 HydrophobicContact CE-CG1 3.54Å; F2-V72 CarbonylContact O-C 3.45Å; F2-V72 WeakPolarHBondContact O-CA 3.4Å; W3-V72 HydrophobicContact CD2-CG1 4.44Å; W3-V72 HydrophobicContact CE3-CB 4.37Å; W3-V72 HydrophobicContact CE3-CG1 4.09Å; W3-V72 HydrophobicContact CE3-CG2 3.57Å; W3-V72 HydrophobicContact CH2-CG1 3.99Å; W3-V72 HydrophobicContact CH2-CG2 4.16Å; W3-V72 HydrophobicContact CZ2-CG1 4.34Å; W3-V72 HydrophobicContact CZ3-CB 4.22Å; W3-V72 HydrophobicContact CZ3-CG1 3.86Å; W3-V72 HydrophobicContact CZ3-CG2 3.3Å; L60-V72 HydrophobicContact CD2-CG2 4.1Å; M70-V72 HydrophobicContact CG-CG2 3.95Å; M70-V72 HydrophobicContact SD-CG2 4.46Å; V72-L74 HydrophobicContact CG1-CD1 4.19Å; V72-T188 WeakPolarHBondContact O-CA 3.26Å; V72-L189 PolarHBondContact N-O 3.38Å; V72-L189 PolarHBondContact O-N 3.01Å; V72-V191 HydrophobicContact CG2-CG2 3.86Å
73	S	97	Very high	93.7	Very high	7 Å²	7	50.1 Å²	50.1	5%	0.049	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	124.1	175.6	-62.5	0	0	0	0	110.5	M1 F2 C187 T188	M1-S73 CarbonylContact C-O 3.59Å; M1-S73 VanDerWaalsContact CA-O 3.27Å; M1-S73 WeakPolarHBondContact CA-O 3.34Å; F2-S73 PolarHBondContact N-O 3.15Å; F2-S73 PolarHBondContact O-N 3.22Å; S73-C187 WeakPolarHBondContact CA-O 3.37Å; S73-T188 PolarHBondContact OG-OG1 3.47Å
74	L	95.9	Very high	94	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.3	172.5	-74.7	68.4	0	0	0	107.4	M1 V72 L186 C187 L189 A204 L207 F208	M1-L74 HydrophobicContact CE-CD1 3.76Å; M1-L74 HydrophobicContact CE-CG 4.04Å; M1-L74 HydrophobicContact CG-CG 4.46Å; V72-L74 HydrophobicContact CG1-CD1 4.19Å; L74-L186 HydrophobicContact CB-CB 4.43Å; L74-L186 PolarHBondContact O-N 2.98Å; L74-C187 PolarHBondContact N-O 2.84Å; L74-C187 PolarHBondContact O-N 2.92Å; L74-L189 HydrophobicContact CD1-CD1 4.17Å; L74-A204 HydrophobicContact CD2-CB 3.88Å; L74-L207 HydrophobicContact CD2-CD1 3.77Å; L74-F208 HydrophobicContact CD2-CE2 4.18Å
75	M	95.9	Very high	94.1	Very high	23 Å²	23	50.4 Å²	50.4	11%	0.113	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	144.8	-175.8	-54.8	-74	-162.4	0	0	109.2	F2 A178 L183 E184 K185	F2-M75 HydrophobicContact CD2-CB 4.38Å; F2-M75 HydrophobicContact CD2-CE 4.07Å; F2-M75 HydrophobicContact CD2-CG 3.45Å; F2-M75 VanDerWaalsContact CD2-CG 3.45Å; F2-M75 HydrophobicContact CE2-CB 4.22Å; F2-M75 HydrophobicContact CE2-CG 3.63Å; M75-A178 HydrophobicContact CE-CB 4.49Å; M75-L183 HydrophobicContact CB-CD2 4.38Å; M75-E184 CarbonylContact C-O 3.53Å; M75-E184 WeakPolarHBondContact CA-O 3.24Å; M75-K185 HydrophobicContact CE-CB 4.29Å; M75-K185 HydrophobicContact CE-CG 4.27Å; M75-K185 WeakPolarHBondContact SD-CA 3.45Å; M75-K185 HydrophobicContact SD-CB 3.46Å; M75-K185 WeakPolarHBondContact SD-CB 3.48Å; M75-K185 HydrophobicContact SD-CG 3.75Å
76	N	94.3	Very high	94.2	Very high	34 Å²	34	48.6 Å²	48.6	18%	0.182	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	146.6	165.5	-171.7	21.8	0	0	0	109.8	R85 L183 E184 L186	N76-R85 PolarHBondContact OD1-NH1 2.87Å; N76-L183 WeakPolarHBondContact O-CA 3.24Å; N76-E184 PolarHBondContact N-O 2.84Å; N76-E184 PolarHBondContact O-N 3.39Å; N76-L186 HydrophobicContact CB-CD1 4.25Å; N76-L186 HydrophobicContact CB-CD2 4.08Å; N76-L186 HydrophobicContact CB-CG 4.2Å
77	V	95.9	Very high	94.6	Very high	15 Å²	15	48.3 Å²	48.3	9%	0.091	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	112.5	171.6	-173.9	0	0	0	0	108.6	Q80 Y127 V135 F136 N182 L183	V77-Q80 HydrophobicContact CG1-CB 4.31Å; V77-Q80 HydrophobicContact CG1-CG 3.74Å; V77-Y127 HydrophobicContact CB-CE1 3.98Å; V77-Y127 HydrophobicContact CG1-CD1 4.22Å; V77-Y127 HydrophobicContact CG1-CE1 3.78Å; V77-Y127 HydrophobicContact CG2-CE1 4.01Å; V77-Y127 HydrophobicContact CG2-CE2 3.83Å; V77-Y127 VanDerWaalsContact CG2-CZ 3.41Å; V77-Y127 WeakPolarHBondContact CG2-OH 3.42Å; V77-V135 HydrophobicContact CG1-CG1 4.31Å; V77-F136 HydrophobicContact CG1-CZ 4.09Å; V77-F136 HydrophobicContact CG2-CZ 4.26Å; V77-N182 CarbonylContact C-O 3.45Å; V77-N182 WeakPolarHBondContact CA-O 3.43Å; V77-L183 HydrophobicContact CB-CD2 4.38Å; V77-L183 HydrophobicContact CG2-CD2 3.74Å
78	L	95.8	Very high	95.1	Very high	49 Å²	49	46.3 Å²	46.3	26%	0.257	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	157.5	-179.7	-63.3	177.9	0	0	0	111.1	Q80 N182 E184	L78-Q80 PolarHBondContact O-N 2.93Å; L78-N182 PolarHBondContact N-O 3Å; L78-E184 HydrophobicContact CD1-CB 4.11Å; L78-E184 HydrophobicContact CD2-CB 3.86Å; L78-E184 HydrophobicContact CG-CB 4.02Å
79	H	94.7	Very high	95.5	Very high	154 Å²	154	46.9 Å²	46.9	71%	0.713	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	15.5	174.8	-46.9	-62.5	0	0	0	115.6
80	Q	95.2	Very high	95.8	Very high	39 Å²	39	46.4 Å²	46.4	18%	0.182	24%	0.235	C	C	.	.			trans	-116.8	115.6	175.5	-60.5	-53.9	-41.9	0	0	110.1	V77 L78 V84 R85 Y127 V135	V77-Q80 HydrophobicContact CG1-CB 4.31Å; V77-Q80 HydrophobicContact CG1-CG 3.74Å; L78-Q80 PolarHBondContact O-N 2.93Å; Q80-V84 HydrophobicContact CB-CB 4.5Å; Q80-V84 HydrophobicContact CB-CG1 4.35Å; Q80-V84 VanDerWaalsContact OE1-CG1 3.3Å; Q80-R85 HydrophobicContact CB-CG 3.94Å; Q80-R85 PolarHBondContact O-NE 3.45Å; Q80-Y127 HydrophobicContact CB-CE1 4.45Å; Q80-Y127 HydrophobicContact CG-CD1 4.27Å; Q80-Y127 HydrophobicContact CG-CE1 4.28Å; Q80-V135 HydrophobicContact CG-CG1 4.38Å
81	P	94.5	Very high	96	Very high	80 Å²	80	49.3 Å²	49.3	52%	0.519	25%	0.246	S	C	.	.			trans	-65.3	155.5	179	29.4	-35.6	0	0	0	110.6	P83 V84 R85	P81-P83 VanDerWaalsContact C-CD 3.46Å; P81-P83 VanDerWaalsContact C-N 3.32Å; P81-P83 VanDerWaalsContact O-N 3.15Å; P81-V84 HydrophobicContact CG-CB 4.29Å; P81-V84 HydrophobicContact CG-CG2 3.72Å; P81-V84 WeakPolarHBondContact O-CB 3.39Å; P81-V84 PolarHBondContact O-N 3.17Å; P81-R85 PolarHBondContact O-N 2.92Å
82	L	92.5	Very high	96.1	Very high	59 Å²	59	45.6 Å²	45.6	31%	0.309	23%	0.232	S	C	.	.	H	α-helix	trans	-48.3	-43.9	-176.3	179.6	65.6	0	0	0	113.9	V84 R85 Q86 E211	L82-V84 VanDerWaalsContact C-N 3.28Å; L82-V84 PolarHBondContact O-N 2.91Å; L82-R85 PolarHBondContact O-N 3.45Å; L82-R85 VanDerWaalsContact O-N 3.14Å; L82-Q86 HydrophobicContact CD1-CG 4.17Å; L82-Q86 HydrophobicContact CG-CG 4.32Å; L82-Q86 WeakPolarHBondContact O-CG 3.16Å; L82-Q86 PolarHBondContact O-N 3.22Å; L82-E211 HydrophobicContact CD1-CB 4.06Å; L82-E211 WeakPolarHBondContact CD2-O 3.17Å
83	P	95.5	Very high	96.1	Very high	69 Å²	69	49.4 Å²	49.4	45%	0.448	25%	0.25	S	C	.	.	H	α-helix	trans	-61.1	-31.9	177	-25.9	36.5	0	0	0	114.4	P81 R87	P81-P83 VanDerWaalsContact C-CD 3.46Å; P81-P83 VanDerWaalsContact C-N 3.32Å; P81-P83 VanDerWaalsContact O-N 3.15Å; P83-R87 WeakPolarHBondContact O-CB 3.37Å; P83-R87 WeakPolarHBondContact O-CG 3.17Å; P83-R87 PolarHBondContact O-N 2.92Å; P83-R87 PolarHBondContact O-NH1 2.85Å
84	V	97	Very high	96.2	Very high	13 Å²	13	53 Å²	53	8%	0.079	28%	0.275	C	S	.	.	H	α-helix	trans	-71.1	-44.5	175.3	175.2	0	0	0	0	110.1	Q80 P81 L82 Q86 R87 A88 A130 A131	Q80-V84 HydrophobicContact CB-CB 4.5Å; Q80-V84 HydrophobicContact CB-CG1 4.35Å; Q80-V84 VanDerWaalsContact OE1-CG1 3.3Å; P81-V84 HydrophobicContact CG-CB 4.29Å; P81-V84 HydrophobicContact CG-CG2 3.72Å; P81-V84 WeakPolarHBondContact O-CB 3.39Å; P81-V84 PolarHBondContact O-N 3.17Å; L82-V84 VanDerWaalsContact C-N 3.28Å; L82-V84 PolarHBondContact O-N 2.91Å; V84-Q86 VanDerWaalsContact C-N 3.32Å; V84-Q86 PolarHBondContact O-N 3.18Å; V84-R87 VanDerWaalsContact CG2-NH2 3.3Å; V84-R87 PolarHBondContact O-N 3.3Å; V84-A88 PolarHBondContact O-N 3.41Å; V84-A130 HydrophobicContact CG1-CB 4.04Å; V84-A130 WeakPolarHBondContact O-CB 3.19Å; V84-A131 HydrophobicContact CG1-CB 4.08Å
85	R	95.1	Very high	96.3	Very high	38 Å²	38	54.7 Å²	54.7	14%	0.143	28%	0.282	C	S	.	.	H	α-helix	trans	-60.1	-43.4	177.2	-62.7	-172.3	-72.1	156.1	9.9	111.2	N76 Q80 P81 L82 A88 V89 Y127 E211	N76-R85 PolarHBondContact OD1-NH1 2.87Å; Q80-R85 HydrophobicContact CB-CG 3.94Å; Q80-R85 PolarHBondContact O-NE 3.45Å; P81-R85 PolarHBondContact O-N 2.92Å; L82-R85 PolarHBondContact O-N 3.45Å; L82-R85 VanDerWaalsContact O-N 3.14Å; R85-A88 PolarHBondContact O-N 3.09Å; R85-V89 WeakPolarHBondContact O-CG2 3.3Å; R85-V89 PolarHBondContact O-N 3.42Å; R85-Y127 HydrophobicContact CG-CE1 4.16Å; R85-E211 IonicContact CZ-OE1 2.79Å; R85-E211 IonicContact CZ-OE2 2.62Å; R85-E211 IonicContact NH1-OE1 3.14Å; R85-E211 PolarHBondContact NH1-OE1 2.93Å; R85-E211 IonicContact NH1-OE2 3.92Å; R85-E211 PolarHBondContact NH1-OE2 2.74Å; R85-E211 IonicContact NH2-OE1 3.93Å; R85-E211 PolarHBondContact NH2-OE1 3.14Å; R85-E211 IonicContact NH2-OE2 2.81Å
86	Q	94.8	Very high	96.5	Very high	99 Å²	99	57 Å²	57	46%	0.463	30%	0.297	S	S	.	.	H	α-helix	trans	-62.4	-45.9	174.3	-72.2	173	-21	0	0	112.1	L82 V84 A88 V89 S90	L82-Q86 HydrophobicContact CD1-CG 4.17Å; L82-Q86 HydrophobicContact CG-CG 4.32Å; L82-Q86 WeakPolarHBondContact O-CG 3.16Å; L82-Q86 PolarHBondContact O-N 3.22Å; V84-Q86 VanDerWaalsContact C-N 3.32Å; V84-Q86 PolarHBondContact O-N 3.18Å; Q86-A88 VanDerWaalsContact C-N 3.31Å; Q86-A88 PolarHBondContact O-N 3.47Å; Q86-V89 WeakPolarHBondContact O-CB 3.32Å; Q86-V89 PolarHBondContact O-N 3.18Å; Q86-S90 PolarHBondContact O-N 2.72Å; Q86-S90 PolarHBondContact O-OG 3.48Å
87	R	97.5	Very high	96.7	Very high	126 Å²	126	58.7 Å²	58.7	48%	0.475	32%	0.323	S	S	.	.	H	α-helix	trans	-61.8	-37.2	175.1	-77.8	-165.9	-53.3	-89.5	6.9	112.8	P83 V84 S90 W91 A130	P83-R87 WeakPolarHBondContact O-CB 3.37Å; P83-R87 WeakPolarHBondContact O-CG 3.17Å; P83-R87 PolarHBondContact O-N 2.92Å; P83-R87 PolarHBondContact O-NH1 2.85Å; V84-R87 VanDerWaalsContact CG2-NH2 3.3Å; V84-R87 PolarHBondContact O-N 3.3Å; R87-S90 PolarHBondContact O-N 3.02Å; R87-W91 WeakPolarHBondContact O-CB 3.27Å; R87-W91 PolarHBondContact O-N 3.4Å; R87-A130 HydrophobicContact CB-CB 3.76Å; R87-A130 PolarHBondContact NE-O 3.06Å; R87-A130 PolarHBondContact NH2-O 3.21Å
88	A	98.2	Very high	96.8	Very high	0 Å²	0	59 Å²	59	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-63.5	-45	176.1	0	0	0	0	0	110.6	M35 V84 R85 Q86 W91 A92 A126 Y127 A130	M35-A88 HydrophobicContact CE-CB 3.95Å; V84-A88 PolarHBondContact O-N 3.41Å; R85-A88 PolarHBondContact O-N 3.09Å; Q86-A88 VanDerWaalsContact C-N 3.31Å; Q86-A88 PolarHBondContact O-N 3.47Å; A88-W91 PolarHBondContact O-N 3.18Å; A88-A92 PolarHBondContact O-N 3.02Å; A88-A126 HydrophobicContact CB-CB 4.3Å; A88-A126 WeakPolarHBondContact O-CB 3.28Å; A88-Y127 HydrophobicContact CB-CD1 3.97Å; A88-Y127 HydrophobicContact CB-CD2 4.09Å; A88-Y127 HydrophobicContact CB-CE1 4.01Å; A88-Y127 HydrophobicContact CB-CE2 4.14Å; A88-Y127 HydrophobicContact CB-CG 4.01Å; A88-A130 HydrophobicContact CB-CB 3.77Å; A88-A130 VanDerWaalsContact N-CB 3.34Å
89	V	96.8	Very high	96.9	Very high	22 Å²	22	58.1 Å²	58.1	13%	0.133	33%	0.325	C	S	.	.	H	α-helix	trans	-58.6	-50.3	173.7	170.4	0	0	0	0	111	M35 T37 R85 Q86 W91 A92 Q93	M35-V89 HydrophobicContact CE-CB 4.43Å; M35-V89 HydrophobicContact CE-CG2 3.78Å; T37-V89 HydrophobicContact CG2-CG1 3.79Å; R85-V89 WeakPolarHBondContact O-CG2 3.3Å; R85-V89 PolarHBondContact O-N 3.42Å; Q86-V89 WeakPolarHBondContact O-CB 3.32Å; Q86-V89 PolarHBondContact O-N 3.18Å; V89-W91 VanDerWaalsContact C-N 3.29Å; V89-W91 PolarHBondContact O-N 2.91Å; V89-A92 PolarHBondContact O-N 3.49Å; V89-Q93 HydrophobicContact CG1-CG 4.45Å; V89-Q93 WeakPolarHBondContact O-CG 3.49Å; V89-Q93 PolarHBondContact O-N 2.87Å
90	S	97.2	Very high	97.1	Very high	69 Å²	69	51.8 Å²	51.8	48%	0.483	30%	0.295	S	S	.	.	H	α-helix	trans	-60.2	-39	178.1	-60.2	0	0	0	0	112.4	Q86 R87 Q93 S94	Q86-S90 PolarHBondContact O-N 2.72Å; Q86-S90 PolarHBondContact O-OG 3.48Å; R87-S90 PolarHBondContact O-N 3.02Å; S90-Q93 PolarHBondContact O-N 2.99Å; S90-S94 PolarHBondContact O-N 3.21Å
91	W	98.5	Very high	97.3	Very high	61 Å²	61	49.9 Å²	49.9	23%	0.231	29%	0.286	C	S	.	.	H	α-helix	trans	-63.2	-48.9	175.9	-172.4	97.9	0	0	0	110.5	R87 A88 V89 Q93 S94 K95 Y117 L122 K125 A126 A129	R87-W91 WeakPolarHBondContact O-CB 3.27Å; R87-W91 PolarHBondContact O-N 3.4Å; A88-W91 PolarHBondContact O-N 3.18Å; V89-W91 VanDerWaalsContact C-N 3.29Å; V89-W91 PolarHBondContact O-N 2.91Å; W91-Q93 VanDerWaalsContact C-N 3.3Å; W91-Q93 PolarHBondContact O-N 2.62Å; W91-S94 WeakPolarHBondContact O-CB 3.46Å; W91-S94 PolarHBondContact O-N 2.81Å; W91-S94 PolarHBondContact O-OG 3.1Å; W91-K95 HydrophobicContact CD2-CG 4.48Å; W91-K95 HydrophobicContact CE3-CG 4.01Å; W91-K95 HydrophobicContact CH2-CD 4.36Å; W91-K95 HydrophobicContact CH2-CG 3.92Å; W91-K95 HydrophobicContact CZ2-CD 4.44Å; W91-K95 HydrophobicContact CZ2-CG 4.38Å; W91-K95 HydrophobicContact CZ3-CG 3.73Å; W91-K95 PolarHBondContact O-N 2.79Å; W91-Y117 AromaticContact CH2-CE1 3.63Å; W91-Y117 HydrophobicContact CH2-CE1 3.63Å; W91-Y117 AromaticContact CH2-CZ 3.77Å; W91-Y117 HydrophobicContact CZ3-CE1 4.28Å; W91-L122 HydrophobicContact CZ3-CD1 4.1Å; W91-K125 HydrophobicContact CH2-CB 3.58Å; W91-K125 HydrophobicContact CZ2-CB 4.34Å; W91-K125 HydrophobicContact CZ3-CB 3.92Å; W91-A126 HydrophobicContact CD2-CB 4.41Å; W91-A126 HydrophobicContact CE3-CB 3.59Å; W91-A126 HydrophobicContact CZ3-CB 4.14Å; W91-A129 VanDerWaalsContact CD1-CB 3.48Å; W91-A129 HydrophobicContact CD2-CB 4.15Å; W91-A129 HydrophobicContact CG-CB 3.95Å
92	A	98.6	Very high	97.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.3	-39.1	177.8	0	0	0	0	0	112	M35 V43 A88 V89 S94 K95 L122 A126	M35-A92 HydrophobicContact SD-CB 3.83Å; V43-A92 HydrophobicContact CG1-CB 3.74Å; V43-A92 HydrophobicContact CG2-CB 4.4Å; A88-A92 PolarHBondContact O-N 3.02Å; V89-A92 PolarHBondContact O-N 3.49Å; A92-S94 VanDerWaalsContact C-N 3.33Å; A92-S94 PolarHBondContact O-N 3.32Å; A92-K95 PolarHBondContact O-N 3.19Å; A92-L122 HydrophobicContact CB-CD1 4.45Å; A92-L122 HydrophobicContact CB-CG 4.38Å; A92-A126 HydrophobicContact CB-CB 4.07Å
93	Q	98	Very high	97.6	Very high	80 Å²	80	44.9 Å²	44.9	37%	0.374	26%	0.255	S	S	.	.	H	α-helix	trans	-64.3	-35.3	174	-73.4	178.4	-52.5	0	0	112.6	T37 V89 S90 W91 K95 V96	T37-Q93 HydrophobicContact CG2-CG 3.85Å; V89-Q93 HydrophobicContact CG1-CG 4.45Å; V89-Q93 WeakPolarHBondContact O-CG 3.49Å; V89-Q93 PolarHBondContact O-N 2.87Å; S90-Q93 PolarHBondContact O-N 2.99Å; W91-Q93 VanDerWaalsContact C-N 3.3Å; W91-Q93 PolarHBondContact O-N 2.62Å; Q93-K95 PolarHBondContact O-N 2.81Å; Q93-V96 WeakPolarHBondContact O-CB 3.4Å; Q93-V96 VanDerWaalsContact O-CG2 3.3Å; Q93-V96 WeakPolarHBondContact O-CG2 3.38Å; Q93-V96 PolarHBondContact O-N 3.46Å; Q93-V96 VanDerWaalsContact O-N 3.11Å
94	S	98.4	Very high	97.7	Very high	82 Å²	82	42.3 Å²	42.3	57%	0.573	24%	0.237	S	C	*	.	H	α-helix	trans	-66.8	-15	176	77.2	0	0	0	0	113.6	S90 W91 A92	S90-S94 PolarHBondContact O-N 3.21Å; W91-S94 WeakPolarHBondContact O-CB 3.46Å; W91-S94 PolarHBondContact O-N 2.81Å; W91-S94 PolarHBondContact O-OG 3.1Å; A92-S94 VanDerWaalsContact C-N 3.33Å; A92-S94 PolarHBondContact O-N 3.32Å
95	K	98.6	Very high	97.7	Very high	37 Å²	37	43.3 Å²	43.3	16%	0.161	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-2.3	174.9	-57.2	-49.8	-176.3	172.2	0	113.9	V51 W91 A92 Q93 G97 C98 E115 Y117 L122	V51-K95 WeakPolarHBondContact CB-O 3.31Å; V51-K95 HydrophobicContact CG1-CB 4.14Å; V51-K95 WeakPolarHBondContact CG1-O 3.47Å; V51-K95 HydrophobicContact CG2-CB 4.44Å; W91-K95 HydrophobicContact CD2-CG 4.48Å; W91-K95 HydrophobicContact CE3-CG 4.01Å; W91-K95 HydrophobicContact CH2-CD 4.36Å; W91-K95 HydrophobicContact CH2-CG 3.92Å; W91-K95 HydrophobicContact CZ2-CD 4.44Å; W91-K95 HydrophobicContact CZ2-CG 4.38Å; W91-K95 HydrophobicContact CZ3-CG 3.73Å; W91-K95 PolarHBondContact O-N 2.79Å; A92-K95 PolarHBondContact O-N 3.19Å; Q93-K95 PolarHBondContact O-N 2.81Å; K95-G97 PolarHBondContact O-N 2.96Å; K95-C98 VanDerWaalsContact O-CB 3.25Å; K95-C98 WeakPolarHBondContact O-CB 3.37Å; K95-C98 PolarHBondContact O-N 3.19Å; K95-C98 PolarHBondContact O-SG 3.01Å; K95-E115 WeakPolarHBondContact CE-OE1 3.1Å; K95-E115 IonicContact NZ-OE1 2.71Å; K95-E115 PolarHBondContact NZ-OE1 3.49Å; K95-E115 IonicContact NZ-OE2 3.97Å; K95-Y117 HydrophobicContact CB-CD2 4.35Å; K95-Y117 HydrophobicContact CB-CE2 4.07Å; K95-Y117 HydrophobicContact CD-CE2 3.89Å; K95-Y117 VanDerWaalsContact CE-OH 3.28Å; K95-Y117 WeakPolarHBondContact CE-OH 3.37Å; K95-Y117 HydrophobicContact CG-CE2 3.87Å; K95-L122 HydrophobicContact CB-CD1 4.01Å; K95-L122 HydrophobicContact CG-CD1 4.27Å
96	V	98.6	Very high	97.7	Very high	70 Å²	70	43 Å²	43	42%	0.424	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	128	175.2	170.9	0	0	0	0	109.9	V43 V51 Q93	V43-V96 HydrophobicContact CG2-CG2 4.04Å; V51-V96 HydrophobicContact CG1-CG2 4.28Å; V51-V96 WeakPolarHBondContact O-CA 3.15Å; Q93-V96 WeakPolarHBondContact O-CB 3.4Å; Q93-V96 VanDerWaalsContact O-CG2 3.3Å; Q93-V96 WeakPolarHBondContact O-CG2 3.38Å; Q93-V96 PolarHBondContact O-N 3.46Å; Q93-V96 VanDerWaalsContact O-N 3.11Å
97	G	98.4	Very high	97.9	Very high	70 Å²	70	44.2 Å²	44.2	72%	0.722	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.6	-15.3	-173	0	0	0	0	0	114.8	V51 K95	V51-G97 PolarHBondContact O-N 2.72Å; K95-G97 PolarHBondContact O-N 2.96Å
98	C	98.7	Very high	97.9	Very high	23 Å²	23	38.8 Å²	38.8	16%	0.155	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-64.4	149.8	170.5	-67.6	0	0	0	0	111.1	G50 V51 K95 Y117	G50-C98 CarbonylContact C-O 3.57Å; G50-C98 WeakPolarHBondContact CA-O 3.42Å; V51-C98 HydrophobicContact CB-CB 4.4Å; V51-C98 HydrophobicContact CG2-CB 3.97Å; V51-C98 PolarHBondContact N-O 2.96Å; K95-C98 VanDerWaalsContact O-CB 3.25Å; K95-C98 WeakPolarHBondContact O-CB 3.37Å; K95-C98 PolarHBondContact O-N 3.19Å; K95-C98 PolarHBondContact O-SG 3.01Å; C98-Y117 HydrophobicContact CB-CD2 3.88Å; C98-Y117 HydrophobicContact CB-CE2 4.07Å
99	A	98.5	Very high	97.9	Very high	29 Å²	29	41.7 Å²	41.7	24%	0.24	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	169	-177.6	0	0	0	0	0	112.4	N110 E115 A116 Y117	A99-N110 WeakPolarHBondContact CB-ND2 3.27Å; A99-E115 PolarHBondContact N-O 3.4Å; A99-A116 HydrophobicContact CB-CB 4Å; A99-A116 CarbonylContact O-C 3.51Å; A99-A116 WeakPolarHBondContact O-CA 3.35Å; A99-A116 WeakPolarHBondContact O-CB 3.39Å; A99-Y117 PolarHBondContact O-N 3.33Å
100	Y	98.5	Very high	97.9	Very high	21 Å²	21	41.3 Å²	41.3	8%	0.082	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	133.4	166.8	-168.1	-102.9	0	0	0	110.2	F16 A45 T46 E47 D102 N110 Y117	F16-Y100 HydrophobicContact CZ-CE1 4.16Å; F16-Y100 AromaticContact CZ-CZ 3.99Å; F16-Y100 WeakPolarHBondContact CZ-OH 3.49Å; A45-Y100 HydrophobicContact CB-CD2 4.34Å; T46-Y100 WeakPolarHBondContact O-CB 3.48Å; T46-Y100 WeakPolarHBondContact O-CD2 3.41Å; E47-Y100 HydrophobicContact CB-CD1 4.43Å; E47-Y100 HydrophobicContact CB-CE1 4.48Å; Y100-D102 VanDerWaalsContact C-N 3.31Å; Y100-D102 HydrophobicContact CD1-CB 4.26Å; Y100-D102 PolarHBondContact O-N 3.02Å; Y100-N110 WeakPolarHBondContact O-CB 3.21Å; Y100-Y117 WeakPolarHBondContact CA-O 3.41Å
101	N	98.4	Very high	97.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.241	C	C	.	.			trans	-78.7	85.9	173.6	-178.1	-9.4	0	0	0	109	I103 F104 N105 I109 A116 Y117 Y118 Q121	N101-I103 PolarHBondContact O-N 3.46Å; N101-I103 WeakPolarHBondContact OD1-CG1 3.16Å; N101-I103 PolarHBondContact OD1-N 3.26Å; N101-F104 PolarHBondContact O-N 3.25Å; N101-F104 WeakPolarHBondContact OD1-CA 3.11Å; N101-F104 PolarHBondContact OD1-N 2.81Å; N101-N105 PolarHBondContact ND2-N 2.94Å; N101-N105 PolarHBondContact ND2-O 3.04Å; N101-N105 PolarHBondContact OD1-N 3.48Å; N101-I109 VanDerWaalsContact CG-O 3.28Å; N101-I109 PolarHBondContact OD1-O 2.82Å; N101-A116 HydrophobicContact CB-CB 3.92Å; N101-Y117 VanDerWaalsContact CB-C 3.48Å; N101-Y117 PolarHBondContact N-O 2.91Å; N101-Y118 HydrophobicContact CB-CD1 3.98Å; N101-Q121 PolarHBondContact ND2-OE1 2.91Å
102	D	96.9	Very high	97.7	Very high	21 Å²	21	45.7 Å²	45.7	11%	0.112	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	2.3	-176.1	71.6	-33.5	0	0	0	114	Y100 N110 S111 Y157 R161	Y100-D102 VanDerWaalsContact C-N 3.31Å; Y100-D102 HydrophobicContact CD1-CB 4.26Å; Y100-D102 PolarHBondContact O-N 3.02Å; D102-N110 WeakPolarHBondContact OD1-CA 3.45Å; D102-N110 VanDerWaalsContact OD1-CB 3.27Å; D102-N110 WeakPolarHBondContact OD1-CB 3.48Å; D102-S111 PolarHBondContact OD1-N 2.92Å; D102-S111 PolarHBondContact OD1-OG 3.38Å; D102-S111 WeakPolarHBondContact OD2-CB 3.43Å; D102-S111 PolarHBondContact OD2-OG 2.87Å; D102-Y157 WeakPolarHBondContact O-CE1 3.47Å; D102-Y157 PolarHBondContact O-OH 3.45Å; D102-R161 IonicContact OD2-CZ 3.67Å; D102-R161 IonicContact OD2-NE 3.55Å; D102-R161 PolarHBondContact OD2-NE 3.45Å; D102-R161 IonicContact OD2-NH2 3.66Å
103	I	97	Very high	97.6	Very high	12 Å²	12	48.4 Å²	48.4	6%	0.062	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	2.7	176	58.7	166.8	0	0	0	112	N101 N105 I109 M163	N101-I103 PolarHBondContact O-N 3.46Å; N101-I103 WeakPolarHBondContact OD1-CG1 3.16Å; N101-I103 PolarHBondContact OD1-N 3.26Å; I103-N105 HydrophobicContact CD1-CB 3.78Å; I103-N105 HydrophobicContact CG1-CB 3.85Å; I103-N105 PolarHBondContact O-N 3.41Å; I103-N105 VanDerWaalsContact O-N 3.15Å; I103-I109 WeakPolarHBondContact CG1-O 3.27Å; I103-M163 HydrophobicContact CB-CE 4.02Å; I103-M163 HydrophobicContact CB-SD 4.26Å; I103-M163 HydrophobicContact CD1-CE 4.38Å; I103-M163 HydrophobicContact CG2-CE 3.87Å; I103-M163 HydrophobicContact CG2-SD 3.44Å; I103-M163 WeakPolarHBondContact CG2-SD 3.39Å
104	F	97.3	Very high	97.6	Very high	15 Å²	15	49.6 Å²	49.6	7%	0.066	30%	0.298	C	S	.	.			trans	53.3	29.4	-179.5	-51.9	-86.8	0	0	0	114.4	F16 N101 Y118 L141 F143 W154 Y157 F158	F16-F104 HydrophobicContact CE2-CZ 4.07Å; F16-F104 HydrophobicContact CZ-CE1 4.42Å; F16-F104 AromaticContact CZ-CZ 3.97Å; F16-F104 HydrophobicContact CZ-CZ 3.97Å; N101-F104 PolarHBondContact O-N 3.25Å; N101-F104 WeakPolarHBondContact OD1-CA 3.11Å; N101-F104 PolarHBondContact OD1-N 2.81Å; F104-Y118 HydrophobicContact CB-CD1 4.39Å; F104-Y118 HydrophobicContact CB-CE1 4.17Å; F104-Y118 AromaticContact CD1-CD1 3.96Å; F104-Y118 HydrophobicContact CD1-CD1 3.96Å; F104-Y118 HydrophobicContact CD1-CD2 4.13Å; F104-Y118 HydrophobicContact CD1-CE1 4.33Å; F104-Y118 HydrophobicContact CD1-CE2 4.48Å; F104-Y118 AromaticContact CD1-CG 3.87Å; F104-Y118 HydrophobicContact CD1-CG 3.87Å; F104-Y118 HydrophobicContact CE1-CG 4.42Å; F104-L141 HydrophobicContact CB-CD1 4.02Å; F104-F143 HydrophobicContact CB-CZ 4.26Å; F104-F143 AromaticContact CD2-CE1 3.83Å; F104-F143 HydrophobicContact CD2-CE1 3.83Å; F104-F143 AromaticContact CD2-CZ 3.79Å; F104-F143 HydrophobicContact CD2-CZ 3.79Å; F104-F143 AromaticContact CE2-CE1 3.95Å; F104-F143 HydrophobicContact CE2-CE1 3.95Å; F104-F143 HydrophobicContact CE2-CZ 4.38Å; F104-F143 HydrophobicContact CG-CE1 4.36Å; F104-F143 HydrophobicContact CG-CZ 4.1Å; F104-W154 HydrophobicContact CE2-CE3 4.45Å; F104-W154 HydrophobicContact CE2-CH2 4.11Å; F104-W154 AromaticContact CE2-CZ3 3.68Å; F104-W154 HydrophobicContact CE2-CZ3 3.68Å; F104-W154 AromaticContact CZ-CH2 3.74Å; F104-W154 HydrophobicContact CZ-CH2 3.74Å; F104-W154 AromaticContact CZ-CZ3 3.76Å; F104-W154 HydrophobicContact CZ-CZ3 3.76Å; F104-Y157 HydrophobicContact CE2-CE1 4.08Å; F104-F158 HydrophobicContact CD2-CE1 4.43Å; F104-F158 AromaticContact CD2-CZ 3.73Å; F104-F158 HydrophobicContact CD2-CZ 3.73Å; F104-F158 HydrophobicContact CE2-CZ 4.05Å
105	N	96.8	Very high	97.6	Very high	35 Å²	35	49.9 Å²	49.9	19%	0.187	29%	0.29	C	S	.	.			trans	-72.8	133.5	-175.6	-169.7	-69.6	0	0	0	111.6	N101 I103 N107 C108 I109 Q121	N101-N105 PolarHBondContact ND2-N 2.94Å; N101-N105 PolarHBondContact ND2-O 3.04Å; N101-N105 PolarHBondContact OD1-N 3.48Å; I103-N105 HydrophobicContact CD1-CB 3.78Å; I103-N105 HydrophobicContact CG1-CB 3.85Å; I103-N105 PolarHBondContact O-N 3.41Å; I103-N105 VanDerWaalsContact O-N 3.15Å; N105-N107 PolarHBondContact O-N 3.17Å; N105-N107 VanDerWaalsContact OD1-CB 3.28Å; N105-N107 WeakPolarHBondContact OD1-CB 3.45Å; N105-N107 PolarHBondContact OD1-N 3.35Å; N105-N107 PolarHBondContact OD1-ND2 3.36Å; N105-C108 PolarHBondContact O-N 3.49Å; N105-I109 HydrophobicContact CB-CG1 4.16Å; N105-Q121 PolarHBondContact O-NE2 3.26Å
106	E	96.9	Very high	97.6	Very high	30 Å²	30	48.1 Å²	48.1	14%	0.14	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-23.7	-177.7	-178.3	49.4	-153	0	0	114.1	C108 Q121 R124 K125 L138	E106-C108 PolarHBondContact O-N 3.01Å; E106-Q121 PolarHBondContact O-NE2 3.48Å; E106-R124 IonicContact OE1-CZ 3.36Å; E106-R124 IonicContact OE1-NH1 3.47Å; E106-R124 PolarHBondContact OE1-NH1 3.23Å; E106-R124 IonicContact OE1-NH2 3.84Å; E106-R124 PolarHBondContact OE1-NH2 3.45Å; E106-R124 IonicContact OE2-CZ 2.71Å; E106-R124 IonicContact OE2-NH1 3.01Å; E106-R124 IonicContact OE2-NH2 2.8Å; E106-R124 PolarHBondContact OE2-NH2 2.95Å; E106-K125 WeakPolarHBondContact OE1-CE 3.36Å; E106-K125 IonicContact OE1-NZ 3.21Å; E106-K125 PolarHBondContact OE1-NZ 3.24Å; E106-L138 WeakPolarHBondContact OE2-CD2 3.41Å
107	N	97.2	Very high	97.6	Very high	125 Å²	125	45.2 Å²	45.2	67%	0.668	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	11	179.5	-60.3	-40.2	0	0	0	113.7	N105 I109	N105-N107 PolarHBondContact O-N 3.17Å; N105-N107 VanDerWaalsContact OD1-CB 3.28Å; N105-N107 WeakPolarHBondContact OD1-CB 3.45Å; N105-N107 PolarHBondContact OD1-N 3.35Å; N105-N107 PolarHBondContact OD1-ND2 3.36Å; N107-I109 PolarHBondContact O-N 2.87Å
108	C	98.2	Very high	97.6	Very high	13 Å²	13	42.1 Å²	42.1	9%	0.088	23%	0.23	C	C	.	.	S	Bend	trans	58.2	47.3	177.1	-56.7	0	0	0	0	113.2	N105 E106 E115 A116 Y117	N105-C108 PolarHBondContact O-N 3.49Å; E106-C108 PolarHBondContact O-N 3.01Å; C108-E115 CarbonylContact O-C 3.59Å; C108-E115 WeakPolarHBondContact O-CA 3.4Å; C108-A116 CarbonylContact C-O 3.6Å; C108-A116 WeakPolarHBondContact CA-O 3.31Å; C108-A116 WeakPolarHBondContact CB-O 3.37Å; C108-A116 PolarHBondContact O-N 3.43Å; C108-A116 VanDerWaalsContact O-O 3.14Å; C108-Y117 HydrophobicContact CB-CD1 4.19Å; C108-Y117 HydrophobicContact CB-CE1 3.72Å; C108-Y117 WeakPolarHBondContact SG-CE1 3.37Å
109	I	98	Very high	97.6	Very high	61 Å²	61	41.3 Å²	41.3	31%	0.313	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-128	149.7	175.6	57.9	170.1	0	0	0	111.2	N101 I103 N105 N107 Q114	N101-I109 VanDerWaalsContact CG-O 3.28Å; N101-I109 PolarHBondContact OD1-O 2.82Å; I103-I109 WeakPolarHBondContact CG1-O 3.27Å; N105-I109 HydrophobicContact CB-CG1 4.16Å; N107-I109 PolarHBondContact O-N 2.87Å; I109-Q114 CarbonylContact C-O 3.59Å; I109-Q114 VanDerWaalsContact CA-O 3.24Å; I109-Q114 WeakPolarHBondContact CA-O 3.41Å
110	N	97.7	Very high	97.6	Very high	13 Å²	13	40 Å²	40	7%	0.07	21%	0.214	C	C	.	.			trans	-92.4	179.7	172	70.1	6.8	0	0	0	112	A99 Y100 D102 K112 G113 Q114 A116	A99-N110 WeakPolarHBondContact CB-ND2 3.27Å; Y100-N110 WeakPolarHBondContact O-CB 3.21Å; D102-N110 WeakPolarHBondContact OD1-CA 3.45Å; D102-N110 VanDerWaalsContact OD1-CB 3.27Å; D102-N110 WeakPolarHBondContact OD1-CB 3.48Å; N110-K112 PolarHBondContact O-N 3.05Å; N110-K112 WeakPolarHBondContact OD1-CA 3.49Å; N110-K112 WeakPolarHBondContact OD1-CB 3.48Å; N110-K112 PolarHBondContact OD1-N 3.29Å; N110-G113 PolarHBondContact O-N 3.04Å; N110-G113 PolarHBondContact OD1-N 3.24Å; N110-Q114 PolarHBondContact N-O 3.32Å; N110-Q114 PolarHBondContact ND2-OE1 3.19Å; N110-Q114 VanDerWaalsContact ND2-OE1 3.16Å; N110-Q114 WeakPolarHBondContact OD1-CB 3.38Å; N110-Q114 PolarHBondContact OD1-N 3.15Å; N110-A116 HydrophobicContact CB-CB 3.63Å
111	S	96.5	Very high	97.6	Very high	55 Å²	55	39 Å²	39	39%	0.385	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-14.9	175	57.3	0	0	0	0	115.1	D102	D102-S111 PolarHBondContact OD1-N 2.92Å; D102-S111 PolarHBondContact OD1-OG 3.38Å; D102-S111 WeakPolarHBondContact OD2-CB 3.43Å; D102-S111 PolarHBondContact OD2-OG 2.87Å
112	K	95.8	Very high	97.6	Very high	167 Å²	167	39 Å²	39	73%	0.726	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.2	5.4	177.8	-59.3	179.1	-178.6	176.2	0	113.1	N110 Q114	N110-K112 PolarHBondContact O-N 3.05Å; N110-K112 WeakPolarHBondContact OD1-CA 3.49Å; N110-K112 WeakPolarHBondContact OD1-CB 3.48Å; N110-K112 PolarHBondContact OD1-N 3.29Å; K112-Q114 VanDerWaalsContact C-N 3.27Å; K112-Q114 HydrophobicContact CB-CG 4.17Å; K112-Q114 PolarHBondContact O-N 3.38Å
113	G	96.3	Very high	97.7	Very high	57 Å²	57	38.5 Å²	38.5	59%	0.588	21%	0.208	S	C	*	.	S	Bend	trans	72	16.4	-177.9	0	0	0	0	0	114.6	N110	N110-G113 PolarHBondContact O-N 3.04Å; N110-G113 PolarHBondContact OD1-N 3.24Å
114	Q	97.8	Very high	97.7	Very high	105 Å²	105	38.1 Å²	38.1	49%	0.491	21%	0.206	S	C	.	.			trans	-90.7	148.3	177.9	-55.2	174.5	-62.9	0	0	110.2	I109 N110 K112 A116	I109-Q114 CarbonylContact C-O 3.59Å; I109-Q114 VanDerWaalsContact CA-O 3.24Å; I109-Q114 WeakPolarHBondContact CA-O 3.41Å; N110-Q114 PolarHBondContact N-O 3.32Å; N110-Q114 PolarHBondContact ND2-OE1 3.19Å; N110-Q114 VanDerWaalsContact ND2-OE1 3.16Å; N110-Q114 WeakPolarHBondContact OD1-CB 3.38Å; N110-Q114 PolarHBondContact OD1-N 3.15Å; K112-Q114 VanDerWaalsContact C-N 3.27Å; K112-Q114 HydrophobicContact CB-CG 4.17Å; K112-Q114 PolarHBondContact O-N 3.38Å; Q114-A116 PolarHBondContact O-N 3.04Å
115	E	98.6	Very high	97.7	Very high	88 Å²	88	39.4 Å²	39.4	41%	0.411	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-55	125.5	171.9	-176.3	179	-176.7	0	0	110.4	K95 A99 C108 Y117	K95-E115 WeakPolarHBondContact CE-OE1 3.1Å; K95-E115 IonicContact NZ-OE1 2.71Å; K95-E115 PolarHBondContact NZ-OE1 3.49Å; K95-E115 IonicContact NZ-OE2 3.97Å; A99-E115 PolarHBondContact N-O 3.4Å; C108-E115 CarbonylContact O-C 3.59Å; C108-E115 WeakPolarHBondContact O-CA 3.4Å; E115-Y117 HydrophobicContact CG-CE2 3.76Å; E115-Y117 WeakPolarHBondContact OE1-CE2 3.17Å; E115-Y117 PolarHBondContact OE1-OH 2.89Å
116	A	98.7	Very high	97.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	150.6	-170.2	0	0	0	0	0	112.3	A99 N101 C108 N110 Q114	A99-A116 HydrophobicContact CB-CB 4Å; A99-A116 CarbonylContact O-C 3.51Å; A99-A116 WeakPolarHBondContact O-CA 3.35Å; A99-A116 WeakPolarHBondContact O-CB 3.39Å; N101-A116 HydrophobicContact CB-CB 3.92Å; C108-A116 CarbonylContact C-O 3.6Å; C108-A116 WeakPolarHBondContact CA-O 3.31Å; C108-A116 WeakPolarHBondContact CB-O 3.37Å; C108-A116 PolarHBondContact O-N 3.43Å; C108-A116 VanDerWaalsContact O-O 3.14Å; N110-A116 HydrophobicContact CB-CB 3.63Å; Q114-A116 PolarHBondContact O-N 3.04Å
117	Y	98.7	Very high	97.9	Very high	9 Å²	9	37.1 Å²	37.1	4%	0.035	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	147.7	179.9	-60.9	-89	0	0	0	111.1	A45 V51 W91 K95 C98 A99 Y100 N101 C108 E115 Q121 L122 K125	A45-Y117 WeakPolarHBondContact CB-O 3.47Å; V51-Y117 HydrophobicContact CG2-CD2 3.86Å; V51-Y117 HydrophobicContact CG2-CG 4.26Å; W91-Y117 AromaticContact CH2-CE1 3.63Å; W91-Y117 HydrophobicContact CH2-CE1 3.63Å; W91-Y117 AromaticContact CH2-CZ 3.77Å; W91-Y117 HydrophobicContact CZ3-CE1 4.28Å; K95-Y117 HydrophobicContact CB-CD2 4.35Å; K95-Y117 HydrophobicContact CB-CE2 4.07Å; K95-Y117 HydrophobicContact CD-CE2 3.89Å; K95-Y117 VanDerWaalsContact CE-OH 3.28Å; K95-Y117 WeakPolarHBondContact CE-OH 3.37Å; K95-Y117 HydrophobicContact CG-CE2 3.87Å; C98-Y117 HydrophobicContact CB-CD2 3.88Å; C98-Y117 HydrophobicContact CB-CE2 4.07Å; A99-Y117 PolarHBondContact O-N 3.33Å; Y100-Y117 WeakPolarHBondContact CA-O 3.41Å; N101-Y117 VanDerWaalsContact CB-C 3.48Å; N101-Y117 PolarHBondContact N-O 2.91Å; C108-Y117 HydrophobicContact CB-CD1 4.19Å; C108-Y117 HydrophobicContact CB-CE1 3.72Å; C108-Y117 WeakPolarHBondContact SG-CE1 3.37Å; E115-Y117 HydrophobicContact CG-CE2 3.76Å; E115-Y117 WeakPolarHBondContact OE1-CE2 3.17Å; E115-Y117 PolarHBondContact OE1-OH 2.89Å; Y117-Q121 HydrophobicContact CD1-CG 4.37Å; Y117-L122 HydrophobicContact CD1-CD1 4.25Å; Y117-L122 HydrophobicContact CD2-CD1 4.36Å; Y117-L122 HydrophobicContact CG-CD1 4.01Å; Y117-K125 HydrophobicContact CE1-CB 4.47Å; Y117-K125 HydrophobicContact CE1-CG 4.48Å
118	Y	98.2	Very high	97.9	Very high	5 Å²	5	33.8 Å²	33.8	2%	0.02	18%	0.179	C	C	.	.			trans	-105.9	163.1	160.4	63.7	-88.1	0	0	0	109.6	N101 F104 C120 Q121 L122 S172	N101-Y118 HydrophobicContact CB-CD1 3.98Å; F104-Y118 HydrophobicContact CB-CD1 4.39Å; F104-Y118 HydrophobicContact CB-CE1 4.17Å; F104-Y118 AromaticContact CD1-CD1 3.96Å; F104-Y118 HydrophobicContact CD1-CD1 3.96Å; F104-Y118 HydrophobicContact CD1-CD2 4.13Å; F104-Y118 HydrophobicContact CD1-CE1 4.33Å; F104-Y118 HydrophobicContact CD1-CE2 4.48Å; F104-Y118 AromaticContact CD1-CG 3.87Å; F104-Y118 HydrophobicContact CD1-CG 3.87Å; F104-Y118 HydrophobicContact CE1-CG 4.42Å; Y118-C120 WeakPolarHBondContact CE2-SG 3.33Å; Y118-C120 PolarHBondContact O-N 3.22Å; Y118-Q121 HydrophobicContact CD1-CB 3.71Å; Y118-Q121 HydrophobicContact CD1-CG 4.39Å; Y118-Q121 HydrophobicContact CD2-CB 3.98Å; Y118-Q121 HydrophobicContact CE1-CB 3.44Å; Y118-Q121 VanDerWaalsContact CE1-CB 3.44Å; Y118-Q121 HydrophobicContact CE1-CG 3.98Å; Y118-Q121 HydrophobicContact CE2-CB 3.72Å; Y118-Q121 HydrophobicContact CG-CB 3.96Å; Y118-Q121 VanDerWaalsContact CZ-CB 3.42Å; Y118-Q121 PolarHBondContact O-N 3.47Å; Y118-Q121 VanDerWaalsContact O-N 3.09Å; Y118-L122 PolarHBondContact O-N 2.96Å; Y118-S172 WeakPolarHBondContact CE2-O 3.4Å; Y118-S172 VanDerWaalsContact CE2-OG 3.31Å; Y118-S172 WeakPolarHBondContact CE2-OG 3.36Å; Y118-S172 PolarHBondContact OH-N 3.44Å; Y118-S172 PolarHBondContact OH-OG 3.4Å
119	C	98.1	Very high	97.9	Very high	7 Å²	7	35.7 Å²	35.7	5%	0.047	20%	0.196	C	C	.	.	H	α-helix	trans	-54.5	-50.7	-160.1	59.5	0	0	0	0	114.7	H32 V33 V123	H32-C119 VanDerWaalsContact CE1-CB 3.41Å; H32-C119 WeakPolarHBondContact CE1-CB 3.2Å; H32-C119 WeakPolarHBondContact ND1-CB 3.24Å; H32-C119 PolarHBondContact ND1-SG 2.97Å; V33-C119 HydrophobicContact CG1-CB 4.04Å; C119-V123 PolarHBondContact O-N 2.95Å
120	C	97.8	Very high	97.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-78.8	-24.6	-179.7	59.2	0	0	0	0	113.9	V33 Y118 R124 S172 H173 P174 L177	V33-C120 VanDerWaalsContact CG1-CA 3.42Å; V33-C120 HydrophobicContact CG1-CB 3.6Å; Y118-C120 WeakPolarHBondContact CE2-SG 3.33Å; Y118-C120 PolarHBondContact O-N 3.22Å; C120-R124 WeakPolarHBondContact O-CB 3.46Å; C120-R124 PolarHBondContact O-N 2.88Å; C120-S172 VanDerWaalsContact SG-C 3.56Å; C120-S172 PolarHBondContact SG-O 2.95Å; C120-S172 PolarHBondContact SG-OG 3.45Å; C120-H173 VanDerWaalsContact SG-C 3.57Å; C120-P174 HydrophobicContact CB-CB 4.24Å; C120-L177 HydrophobicContact CB-CD2 3.95Å
121	Q	98.3	Very high	98	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.4	-41.9	170.2	177.4	179.7	65.4	0	0	111.1	N101 N105 E106 Y117 Y118 V123 R124 K125	N101-Q121 PolarHBondContact ND2-OE1 2.91Å; N105-Q121 PolarHBondContact O-NE2 3.26Å; E106-Q121 PolarHBondContact O-NE2 3.48Å; Y117-Q121 HydrophobicContact CD1-CG 4.37Å; Y118-Q121 HydrophobicContact CD1-CB 3.71Å; Y118-Q121 HydrophobicContact CD1-CG 4.39Å; Y118-Q121 HydrophobicContact CD2-CB 3.98Å; Y118-Q121 HydrophobicContact CE1-CB 3.44Å; Y118-Q121 VanDerWaalsContact CE1-CB 3.44Å; Y118-Q121 HydrophobicContact CE1-CG 3.98Å; Y118-Q121 HydrophobicContact CE2-CB 3.72Å; Y118-Q121 HydrophobicContact CG-CB 3.96Å; Y118-Q121 VanDerWaalsContact CZ-CB 3.42Å; Y118-Q121 PolarHBondContact O-N 3.47Å; Y118-Q121 VanDerWaalsContact O-N 3.09Å; Q121-V123 VanDerWaalsContact C-N 3.33Å; Q121-V123 PolarHBondContact O-N 2.79Å; Q121-R124 PolarHBondContact O-N 3.15Å; Q121-K125 HydrophobicContact CG-CG 4.01Å; Q121-K125 VanDerWaalsContact O-CB 3.32Å; Q121-K125 WeakPolarHBondContact O-CB 3.38Å; Q121-K125 VanDerWaalsContact O-CG 3.3Å; Q121-K125 WeakPolarHBondContact O-CG 3.34Å; Q121-K125 PolarHBondContact O-N 3.22Å
122	L	98.7	Very high	98	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-54.7	-50	174.8	-178.4	70.6	0	0	0	111	V43 A45 V51 W91 A92 K95 Y117 Y118 A126	V43-L122 HydrophobicContact CG2-CD2 4.44Å; A45-L122 HydrophobicContact CB-CD2 4.46Å; V51-L122 HydrophobicContact CG1-CD1 4.2Å; V51-L122 HydrophobicContact CG1-CD2 3.9Å; V51-L122 HydrophobicContact CG2-CD1 4.15Å; V51-L122 HydrophobicContact CG2-CD2 4.43Å; W91-L122 HydrophobicContact CZ3-CD1 4.1Å; A92-L122 HydrophobicContact CB-CD1 4.45Å; A92-L122 HydrophobicContact CB-CG 4.38Å; K95-L122 HydrophobicContact CB-CD1 4.01Å; K95-L122 HydrophobicContact CG-CD1 4.27Å; Y117-L122 HydrophobicContact CD1-CD1 4.25Å; Y117-L122 HydrophobicContact CD2-CD1 4.36Å; Y117-L122 HydrophobicContact CG-CD1 4.01Å; Y118-L122 PolarHBondContact O-N 2.96Å; L122-A126 WeakPolarHBondContact O-CB 3.17Å; L122-A126 PolarHBondContact O-N 2.94Å
123	V	98.4	Very high	98	Very high	11 Å²	11	31 Å²	31	7%	0.067	20%	0.199	C	C	.	.	H	α-helix	trans	-62.9	-47.2	179.5	-178.1	0	0	0	0	111.5	V33 M35 C119 Q121 A126 Y127 F136 L177	V33-V123 HydrophobicContact CG1-CG2 4.07Å; V33-V123 HydrophobicContact CG2-CG2 4.13Å; M35-V123 HydrophobicContact CG-CB 4.48Å; M35-V123 HydrophobicContact CG-CG1 4.21Å; M35-V123 HydrophobicContact CG-CG2 3.8Å; M35-V123 HydrophobicContact SD-CB 4.4Å; M35-V123 HydrophobicContact SD-CG1 4.26Å; M35-V123 HydrophobicContact SD-CG2 4.18Å; C119-V123 PolarHBondContact O-N 2.95Å; Q121-V123 VanDerWaalsContact C-N 3.33Å; Q121-V123 PolarHBondContact O-N 2.79Å; V123-A126 WeakPolarHBondContact O-CB 3.4Å; V123-A126 PolarHBondContact O-N 3.03Å; V123-Y127 HydrophobicContact CG1-CD2 4.09Å; V123-Y127 HydrophobicContact CG1-CE2 4.26Å; V123-Y127 WeakPolarHBondContact O-CD2 3.45Å; V123-Y127 PolarHBondContact O-N 2.84Å; V123-Y127 VanDerWaalsContact O-N 3.13Å; V123-F136 HydrophobicContact CG1-CE2 4.38Å; V123-L177 HydrophobicContact CB-CD2 4.19Å; V123-L177 HydrophobicContact CG1-CD2 4.16Å
124	R	98	Very high	98	Very high	3 Å²	3	32.7 Å²	32.7	1%	0.011	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-49.1	-179.7	176.4	-179.8	57.1	80	3.8	111.9	E106 C120 Q121 A126 Y127 E128 F136	E106-R124 IonicContact OE1-CZ 3.36Å; E106-R124 IonicContact OE1-NH1 3.47Å; E106-R124 PolarHBondContact OE1-NH1 3.23Å; E106-R124 IonicContact OE1-NH2 3.84Å; E106-R124 PolarHBondContact OE1-NH2 3.45Å; E106-R124 IonicContact OE2-CZ 2.71Å; E106-R124 IonicContact OE2-NH1 3.01Å; E106-R124 IonicContact OE2-NH2 2.8Å; E106-R124 PolarHBondContact OE2-NH2 2.95Å; C120-R124 WeakPolarHBondContact O-CB 3.46Å; C120-R124 PolarHBondContact O-N 2.88Å; Q121-R124 PolarHBondContact O-N 3.15Å; R124-A126 VanDerWaalsContact C-N 3.3Å; R124-A126 PolarHBondContact O-N 2.94Å; R124-Y127 PolarHBondContact O-N 3.01Å; R124-E128 IonicContact NH1-OE2 3.48Å; R124-E128 PolarHBondContact NH1-OE2 2.86Å; R124-E128 WeakPolarHBondContact O-CB 3.38Å; R124-E128 PolarHBondContact O-N 2.86Å; R124-F136 HydrophobicContact CB-CB 4.46Å; R124-F136 HydrophobicContact CB-CD2 4.35Å; R124-F136 WeakPolarHBondContact CD-O 3.49Å; R124-F136 HydrophobicContact CG-CB 4.07Å; R124-F136 HydrophobicContact CG-CD2 4.49Å
125	K	98.3	Very high	98	Very high	42 Å²	42	28.1 Å²	28.1	18%	0.183	18%	0.179	C	C	.	.	H	α-helix	trans	-63.2	-36.2	179.1	-69.5	-67.3	-177.6	-167	0	112	W91 E106 Y117 Q121 E128 A129	W91-K125 HydrophobicContact CH2-CB 3.58Å; W91-K125 HydrophobicContact CZ2-CB 4.34Å; W91-K125 HydrophobicContact CZ3-CB 3.92Å; E106-K125 WeakPolarHBondContact OE1-CE 3.36Å; E106-K125 IonicContact OE1-NZ 3.21Å; E106-K125 PolarHBondContact OE1-NZ 3.24Å; Y117-K125 HydrophobicContact CE1-CB 4.47Å; Y117-K125 HydrophobicContact CE1-CG 4.48Å; Q121-K125 HydrophobicContact CG-CG 4.01Å; Q121-K125 VanDerWaalsContact O-CB 3.32Å; Q121-K125 WeakPolarHBondContact O-CB 3.38Å; Q121-K125 VanDerWaalsContact O-CG 3.3Å; Q121-K125 WeakPolarHBondContact O-CG 3.34Å; Q121-K125 PolarHBondContact O-N 3.22Å; K125-E128 IonicContact NZ-OE2 2.81Å; K125-E128 PolarHBondContact NZ-OE2 3.39Å; K125-E128 PolarHBondContact O-N 2.92Å; K125-A129 VanDerWaalsContact O-CB 3.28Å; K125-A129 WeakPolarHBondContact O-CB 3.44Å; K125-A129 PolarHBondContact O-N 3.33Å
126	A	98.5	Very high	97.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.9	-48	174.3	0	0	0	0	0	112.5	M35 A88 W91 A92 L122 V123 R124 A130	M35-A126 HydrophobicContact CE-CB 4.37Å; M35-A126 HydrophobicContact SD-CB 4.02Å; A88-A126 HydrophobicContact CB-CB 4.3Å; A88-A126 WeakPolarHBondContact O-CB 3.28Å; W91-A126 HydrophobicContact CD2-CB 4.41Å; W91-A126 HydrophobicContact CE3-CB 3.59Å; W91-A126 HydrophobicContact CZ3-CB 4.14Å; A92-A126 HydrophobicContact CB-CB 4.07Å; L122-A126 WeakPolarHBondContact O-CB 3.17Å; L122-A126 PolarHBondContact O-N 2.94Å; V123-A126 WeakPolarHBondContact O-CB 3.4Å; V123-A126 PolarHBondContact O-N 3.03Å; R124-A126 VanDerWaalsContact C-N 3.3Å; R124-A126 PolarHBondContact O-N 2.94Å; A126-A130 VanDerWaalsContact O-CB 3.27Å; A126-A130 WeakPolarHBondContact O-CB 3.28Å; A126-A130 PolarHBondContact O-N 3.31Å
127	Y	98.3	Very high	97.6	Very high	18 Å²	18	28.9 Å²	28.9	7%	0.071	19%	0.189	C	C	.	.	H	α-helix	trans	-70.4	-38.5	177.3	-86.7	-81.4	0	0	0	112.8	M35 V77 Q80 R85 A88 V123 R124 A130 A131 F136	M35-Y127 HydrophobicContact CE-CD2 4.45Å; M35-Y127 HydrophobicContact CE-CE2 3.87Å; V77-Y127 HydrophobicContact CB-CE1 3.98Å; V77-Y127 HydrophobicContact CG1-CD1 4.22Å; V77-Y127 HydrophobicContact CG1-CE1 3.78Å; V77-Y127 HydrophobicContact CG2-CE1 4.01Å; V77-Y127 HydrophobicContact CG2-CE2 3.83Å; V77-Y127 VanDerWaalsContact CG2-CZ 3.41Å; V77-Y127 WeakPolarHBondContact CG2-OH 3.42Å; Q80-Y127 HydrophobicContact CB-CE1 4.45Å; Q80-Y127 HydrophobicContact CG-CD1 4.27Å; Q80-Y127 HydrophobicContact CG-CE1 4.28Å; R85-Y127 HydrophobicContact CG-CE1 4.16Å; A88-Y127 HydrophobicContact CB-CD1 3.97Å; A88-Y127 HydrophobicContact CB-CD2 4.09Å; A88-Y127 HydrophobicContact CB-CE1 4.01Å; A88-Y127 HydrophobicContact CB-CE2 4.14Å; A88-Y127 HydrophobicContact CB-CG 4.01Å; V123-Y127 HydrophobicContact CG1-CD2 4.09Å; V123-Y127 HydrophobicContact CG1-CE2 4.26Å; V123-Y127 WeakPolarHBondContact O-CD2 3.45Å; V123-Y127 PolarHBondContact O-N 2.84Å; V123-Y127 VanDerWaalsContact O-N 3.13Å; R124-Y127 PolarHBondContact O-N 3.01Å; Y127-A130 PolarHBondContact O-N 3.42Å; Y127-A131 VanDerWaalsContact O-CB 3.23Å; Y127-A131 WeakPolarHBondContact O-CB 3.22Å; Y127-A131 PolarHBondContact O-N 3.37Å; Y127-F136 AromaticContact CD2-CE2 3.71Å; Y127-F136 HydrophobicContact CD2-CE2 3.71Å; Y127-F136 HydrophobicContact CD2-CZ 4.4Å; Y127-F136 HydrophobicContact CE2-CE2 4.44Å; Y127-F136 AromaticContact CG-CE2 3.89Å; Y127-F136 HydrophobicContact CG-CE2 3.89Å
128	E	98	Very high	97.4	Very high	55 Å²	55	31.6 Å²	31.6	26%	0.257	20%	0.204	S	C	.	.	H	α-helix	trans	-58.7	-47.7	174.2	-176.5	177.6	-176.6	0	0	111.4	R124 K125 A130 G132 V133 P134	R124-E128 IonicContact NH1-OE2 3.48Å; R124-E128 PolarHBondContact NH1-OE2 2.86Å; R124-E128 WeakPolarHBondContact O-CB 3.38Å; R124-E128 PolarHBondContact O-N 2.86Å; K125-E128 IonicContact NZ-OE2 2.81Å; K125-E128 PolarHBondContact NZ-OE2 3.39Å; K125-E128 PolarHBondContact O-N 2.92Å; E128-A130 PolarHBondContact O-N 3.45Å; E128-G132 WeakPolarHBondContact O-CA 3.11Å; E128-G132 PolarHBondContact O-N 3.25Å; E128-V133 WeakPolarHBondContact CA-O 3.44Å; E128-V133 PolarHBondContact O-N 2.84Å; E128-P134 HydrophobicContact CG-CG 4.49Å
129	A	98.1	Very high	97.1	Very high	52 Å²	52	34 Å²	34	43%	0.43	22%	0.215	S	C	.	.	H	α-helix	trans	-65.4	-37.8	177.4	0	0	0	0	0	112.8	W91 K125	W91-A129 VanDerWaalsContact CD1-CB 3.48Å; W91-A129 HydrophobicContact CD2-CB 4.15Å; W91-A129 HydrophobicContact CG-CB 3.95Å; K125-A129 VanDerWaalsContact O-CB 3.28Å; K125-A129 WeakPolarHBondContact O-CB 3.44Å; K125-A129 PolarHBondContact O-N 3.33Å
130	A	98.2	Very high	96.9	Very high	9 Å²	9	37.1 Å²	37.1	7%	0.074	24%	0.236	C	C	.	.	H	α-helix	trans	-77.3	-34.5	-177	0	0	0	0	0	114.1	V84 R87 A88 A126 Y127 E128	V84-A130 HydrophobicContact CG1-CB 4.04Å; V84-A130 WeakPolarHBondContact O-CB 3.19Å; R87-A130 HydrophobicContact CB-CB 3.76Å; R87-A130 PolarHBondContact NE-O 3.06Å; R87-A130 PolarHBondContact NH2-O 3.21Å; A88-A130 HydrophobicContact CB-CB 3.77Å; A88-A130 VanDerWaalsContact N-CB 3.34Å; A126-A130 VanDerWaalsContact O-CB 3.27Å; A126-A130 WeakPolarHBondContact O-CB 3.28Å; A126-A130 PolarHBondContact O-N 3.31Å; Y127-A130 PolarHBondContact O-N 3.42Å; E128-A130 PolarHBondContact O-N 3.45Å
131	A	97.9	Very high	96.8	Very high	33 Å²	33	37.9 Å²	37.9	27%	0.273	24%	0.24	S	C	.	.	H	α-helix	trans	-87.8	-22.6	178	0	0	0	0	0	112.6	V84 Y127 V133 V135	V84-A131 HydrophobicContact CG1-CB 4.08Å; Y127-A131 VanDerWaalsContact O-CB 3.23Å; Y127-A131 WeakPolarHBondContact O-CB 3.22Å; Y127-A131 PolarHBondContact O-N 3.37Å; A131-V133 HydrophobicContact CB-CG2 4.31Å; A131-V133 PolarHBondContact O-N 3.09Å; A131-V135 HydrophobicContact CB-CG2 3.81Å
132	G	97.4	Very high	96.5	Very high	64 Å²	64	39.9 Å²	39.9	66%	0.66	25%	0.25	S	S	*	.	S	Bend	trans	78.9	1.5	-174.1	0	0	0	0	0	114	E128	E128-G132 WeakPolarHBondContact O-CA 3.11Å; E128-G132 PolarHBondContact O-N 3.25Å
133	V	96.7	Very high	96.4	Very high	91 Å²	91	40.3 Å²	40.3	55%	0.552	25%	0.252	S	S	*	.	S	Bend	trans	-144.5	154.4	178.5	-65.7	0	0	0	0	110	E128 A131 V135	E128-V133 WeakPolarHBondContact CA-O 3.44Å; E128-V133 PolarHBondContact O-N 2.84Å; A131-V133 HydrophobicContact CB-CG2 4.31Å; A131-V133 PolarHBondContact O-N 3.09Å; V133-V135 PolarHBondContact O-N 2.69Å
134	P	96.2	Very high	96.1	Very high	93 Å²	93	41.4 Å²	41.4	60%	0.604	26%	0.259	S	S	*	.			trans	-59.3	122.7	175.4	-25.1	35.2	0	0	0	112.5	E128	E128-P134 HydrophobicContact CG-CG 4.49Å
135	V	97.3	Very high	95.6	Very high	10 Å²	10	42.9 Å²	42.9	6%	0.061	27%	0.267	C	S	.	.			trans	-94.2	-29.6	175.2	177.5	0	0	0	0	111.9	V77 Q80 A131 V133 N182	V77-V135 HydrophobicContact CG1-CG1 4.31Å; Q80-V135 HydrophobicContact CG-CG1 4.38Å; A131-V135 HydrophobicContact CB-CG2 3.81Å; V133-V135 PolarHBondContact O-N 2.69Å; V135-N182 HydrophobicContact CG1-CB 4.47Å; V135-N182 PolarHBondContact O-ND2 3.2Å
136	F	97	Very high	94.9	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.026	28%	0.279	C	S	.	.	S	Bend	trans	-122.1	138.7	179.6	-55.6	-77.7	0	0	0	110.9	V77 V123 R124 Y127 L177 N182 L183	V77-F136 HydrophobicContact CG1-CZ 4.09Å; V77-F136 HydrophobicContact CG2-CZ 4.26Å; V123-F136 HydrophobicContact CG1-CE2 4.38Å; R124-F136 HydrophobicContact CB-CB 4.46Å; R124-F136 HydrophobicContact CB-CD2 4.35Å; R124-F136 WeakPolarHBondContact CD-O 3.49Å; R124-F136 HydrophobicContact CG-CB 4.07Å; R124-F136 HydrophobicContact CG-CD2 4.49Å; Y127-F136 AromaticContact CD2-CE2 3.71Å; Y127-F136 HydrophobicContact CD2-CE2 3.71Å; Y127-F136 HydrophobicContact CD2-CZ 4.4Å; Y127-F136 HydrophobicContact CE2-CE2 4.44Å; Y127-F136 AromaticContact CG-CE2 3.89Å; Y127-F136 HydrophobicContact CG-CE2 3.89Å; F136-L177 HydrophobicContact CB-CD1 3.49Å; F136-L177 VanDerWaalsContact CB-CD1 3.49Å; F136-L177 HydrophobicContact CD1-CD1 3.5Å; F136-L177 VanDerWaalsContact CD1-CD1 3.5Å; F136-L177 HydrophobicContact CD1-CG 4.35Å; F136-L177 HydrophobicContact CD2-CD1 3.8Å; F136-L177 HydrophobicContact CE1-CD1 4.12Å; F136-L177 HydrophobicContact CE2-CD1 4.36Å; F136-L177 HydrophobicContact CG-CD1 3.3Å; F136-N182 HydrophobicContact CE1-CB 4.36Å; F136-L183 HydrophobicContact CE1-CD1 4.33Å; F136-L183 HydrophobicContact CE1-CD2 3.9Å; F136-L183 HydrophobicContact CE1-CG 3.92Å; F136-L183 HydrophobicContact CZ-CD2 4.07Å
137	T	92.3	Very high	94.3	Very high	98 Å²	98	49.5 Å²	49.5	60%	0.601	31%	0.312	S	S	*	.			trans	-70.7	140.1	-176.1	-48	0	0	0	0	111.7	H139	T137-H139 PolarHBondContact O-CD2 3.35Å; T137-H139 VanDerWaalsContact O-CD2 3.31Å; T137-H139 PolarHBondContact O-NE2 3.27Å
138	L	94	Very high	93.8	Very high	65 Å²	65	51.1 Å²	51.1	34%	0.34	33%	0.334	S	S	.	.			trans	-78.5	151.1	168.4	-75.8	166.1	0	0	0	110.4	E106 C170 G171	E106-L138 WeakPolarHBondContact OE2-CD2 3.41Å; L138-C170 VanDerWaalsContact CB-SG 3.56Å; L138-C170 VanDerWaalsContact CD1-SG 3.55Å; L138-G171 VanDerWaalsContact CD2-O 3.31Å; L138-G171 WeakPolarHBondContact CD2-O 3.48Å
139	H	91.6	Very high	93.6	Very high	55 Å²	55	55.5 Å²	55.5	26%	0.255	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	153.4	177.9	-50.9	-82.6	0	0	0	111.7	T137 L141 G171	T137-H139 PolarHBondContact O-CD2 3.35Å; T137-H139 VanDerWaalsContact O-CD2 3.31Å; T137-H139 PolarHBondContact O-NE2 3.27Å; H139-L141 PolarHBondContact O-N 3.23Å; H139-G171 PolarHBondContact N-O 3.35Å; H139-G171 CarbonylContact O-C 3.55Å; H139-G171 PolarHBondContact O-N 3.2Å; H139-G171 VanDerWaalsContact O-O 3.1Å
140	P	94.3	Very high	93.4	Very high	74 Å²	74	55.6 Å²	55.6	48%	0.481	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	128.9	172	-20.1	32	0	0	0	111.1	E169 R176	P140-E169 WeakPolarHBondContact CA-O 3.48Å; P140-R176 PolarHBondContact O-NH1 3Å
141	L	94.9	Very high	93.1	Very high	16 Å²	16	56.2 Å²	56.2	8%	0.084	35%	0.347	C	S	.	.			trans	-69.1	139.9	171.3	-60.4	175.1	0	0	0	109.9	F104 H139 F143 N168 E169	F104-L141 HydrophobicContact CB-CD1 4.02Å; H139-L141 PolarHBondContact O-N 3.23Å; L141-F143 HydrophobicContact CB-CD2 4.09Å; L141-F143 HydrophobicContact CB-CE2 3.51Å; L141-F143 HydrophobicContact CB-CZ 4.26Å; L141-F143 HydrophobicContact CD1-CE2 3.87Å; L141-F143 HydrophobicContact CD1-CZ 4.02Å; L141-F143 HydrophobicContact CG-CE2 4.21Å; L141-N168 PolarHBondContact O-N 3.4Å; L141-E169 HydrophobicContact CD1-CB 4.47Å; L141-E169 PolarHBondContact N-O 3.47Å
142	N	93.3	Very high	92.9	Very high	42 Å²	42	59 Å²	59	23%	0.225	36%	0.362	C	S	.	.			trans	-118.7	-37.2	-177	62.2	8.6	0	0	0	113.4	C23 T144 R176	C23-N142 PolarHBondContact O-ND2 2.94Å; N142-T144 HydrophobicContact CB-CG2 4.1Å; N142-T144 PolarHBondContact ND2-OG1 3.02Å; N142-T144 WeakPolarHBondContact O-CG2 3.16Å; N142-T144 PolarHBondContact O-N 3.34Å; N142-R176 PolarHBondContact ND2-NH2 2.76Å
143	F	94.7	Very high	92.8	Very high	10 Å²	10	58.2 Å²	58.2	4%	0.044	34%	0.34	C	S	.	.			trans	52.1	26.1	-175	-59.9	-82.4	0	0	0	113.6	C23 F104 L141 I150 D151 W154 F158 V165 P166	C23-F143 VanDerWaalsContact SG-C 3.52Å; C23-F143 VanDerWaalsContact SG-CA 3.52Å; F104-F143 HydrophobicContact CB-CZ 4.26Å; F104-F143 AromaticContact CD2-CE1 3.83Å; F104-F143 HydrophobicContact CD2-CE1 3.83Å; F104-F143 AromaticContact CD2-CZ 3.79Å; F104-F143 HydrophobicContact CD2-CZ 3.79Å; F104-F143 AromaticContact CE2-CE1 3.95Å; F104-F143 HydrophobicContact CE2-CE1 3.95Å; F104-F143 HydrophobicContact CE2-CZ 4.38Å; F104-F143 HydrophobicContact CG-CE1 4.36Å; F104-F143 HydrophobicContact CG-CZ 4.1Å; L141-F143 HydrophobicContact CB-CD2 4.09Å; L141-F143 HydrophobicContact CB-CE2 3.51Å; L141-F143 HydrophobicContact CB-CZ 4.26Å; L141-F143 HydrophobicContact CD1-CE2 3.87Å; L141-F143 HydrophobicContact CD1-CZ 4.02Å; L141-F143 HydrophobicContact CG-CE2 4.21Å; F143-I150 WeakPolarHBondContact O-CA 3.32Å; F143-D151 PolarHBondContact O-N 2.95Å; F143-W154 HydrophobicContact CB-CB 4.09Å; F143-W154 HydrophobicContact CB-CG 3.9Å; F143-W154 HydrophobicContact CD1-CB 4.27Å; F143-W154 AromaticContact CD1-CD1 3.8Å; F143-W154 AromaticContact CD1-CD2 3.54Å; F143-W154 HydrophobicContact CD1-CD2 3.54Å; F143-W154 AromaticContact CD1-CE2 3.74Å; F143-W154 AromaticContact CD1-CE3 4Å; F143-W154 HydrophobicContact CD1-CE3 4Å; F143-W154 AromaticContact CD1-CG 3.64Å; F143-W154 HydrophobicContact CD1-CG 3.64Å; F143-W154 HydrophobicContact CD1-CZ2 4.36Å; F143-W154 AromaticContact CD1-NE1 3.9Å; F143-W154 HydrophobicContact CE1-CD2 4.16Å; F143-W154 HydrophobicContact CE1-CE3 4.18Å; F143-W154 HydrophobicContact CE1-CZ3 4.42Å; F143-W154 HydrophobicContact CG-CG 4.21Å; F143-F158 HydrophobicContact CD1-CE2 4Å; F143-F158 AromaticContact CE1-CE2 3.74Å; F143-F158 HydrophobicContact CE1-CE2 3.74Å; F143-F158 AromaticContact CE1-CZ 3.9Å; F143-F158 HydrophobicContact CE1-CZ 3.9Å; F143-F158 HydrophobicContact CE2-CE2 4.49Å; F143-F158 HydrophobicContact CE2-CZ 4.42Å; F143-F158 HydrophobicContact CG-CE2 4.47Å; F143-F158 HydrophobicContact CZ-CE2 4Å; F143-F158 AromaticContact CZ-CZ 3.8Å; F143-F158 HydrophobicContact CZ-CZ 3.8Å; F143-V165 HydrophobicContact CB-CG1 3.51Å; F143-V165 HydrophobicContact CD1-CG1 4.4Å; F143-V165 HydrophobicContact CD2-CG1 3.51Å; F143-V165 HydrophobicContact CE2-CG1 4.31Å; F143-V165 HydrophobicContact CG-CG1 3.55Å; F143-P166 HydrophobicContact CE2-CG 3.62Å; F143-P166 HydrophobicContact CZ-CG 3.92Å
144	T	92.5	Very high	92.8	Very high	33 Å²	33	54.1 Å²	54.1	20%	0.202	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-91.8	142.2	-175.1	53.8	0	0	0	0	111.4	C23 N142 G148 F149	C23-T144 WeakPolarHBondContact CA-O 3.33Å; N142-T144 HydrophobicContact CB-CG2 4.1Å; N142-T144 PolarHBondContact ND2-OG1 3.02Å; N142-T144 WeakPolarHBondContact O-CG2 3.16Å; N142-T144 PolarHBondContact O-N 3.34Å; T144-G148 WeakPolarHBondContact CG2-O 3.29Å; T144-F149 CarbonylContact C-O 3.09Å; T144-F149 WeakPolarHBondContact CA-O 3.38Å
145	N	88.1	Confident	92.8	Very high	35 Å²	35	55.6 Å²	55.6	19%	0.187	31%	0.311	C	S	.	.			trans	-71.2	-175.5	166.4	71.2	11.6	0	0	0	111.7	D147 G148 F149 D151	N145-D147 PolarHBondContact O-N 3.46Å; N145-D147 VanDerWaalsContact O-N 3.15Å; N145-D147 WeakPolarHBondContact OD1-CA 3.41Å; N145-D147 PolarHBondContact OD1-N 3.03Å; N145-G148 PolarHBondContact O-N 3.12Å; N145-G148 VanDerWaalsContact O-N 3.12Å; N145-G148 PolarHBondContact OD1-N 3.38Å; N145-F149 VanDerWaalsContact CG-O 3.31Å; N145-F149 PolarHBondContact N-O 3.4Å; N145-F149 PolarHBondContact OD1-N 3.37Å; N145-F149 VanDerWaalsContact OD1-N 3.14Å; N145-F149 PolarHBondContact OD1-O 3Å; N145-D151 HydrophobicContact CB-CB 4.34Å
146	A	83.1	Confident	92.7	Very high	53 Å²	53	61.9 Å²	61.9	44%	0.438	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.1	-179.5	0	0	0	0	0	114.7	K26	K26-A146 HydrophobicContact CD-CB 4.44Å; K26-A146 VanDerWaalsContact CE-CA 3.44Å; K26-A146 VanDerWaalsContact CE-CB 3.46Å; K26-A146 PolarHBondContact NZ-O 3.01Å
147	D	86.1	Confident	92.7	Very high	127 Å²	127	62 Å²	62	68%	0.679	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	0.8	-177.4	-55	-42.4	0	0	0	112.2	N145 F149	N145-D147 PolarHBondContact O-N 3.46Å; N145-D147 VanDerWaalsContact O-N 3.15Å; N145-D147 WeakPolarHBondContact OD1-CA 3.41Å; N145-D147 PolarHBondContact OD1-N 3.03Å; D147-F149 HydrophobicContact CB-CD2 3.84Å; D147-F149 HydrophobicContact CB-CE2 4.19Å
148	G	88.9	Confident	92.9	Very high	52 Å²	52	57.3 Å²	57.3	54%	0.536	31%	0.309	S	S	.	.	S	Bend	trans	85.6	3.7	178.8	0	0	0	0	0	114.6	T144 N145	T144-G148 WeakPolarHBondContact CG2-O 3.29Å; N145-G148 PolarHBondContact O-N 3.12Å; N145-G148 VanDerWaalsContact O-N 3.12Å; N145-G148 PolarHBondContact OD1-N 3.38Å
149	F	92.7	Very high	93	Very high	147 Å²	147	56.1 Å²	56.1	65%	0.645	31%	0.313	S	S	*	.	S	Bend	trans	-91.2	149.1	174.3	-61.5	-77	0	0	0	110.7	T144 N145 D147 D151	T144-F149 CarbonylContact C-O 3.09Å; T144-F149 WeakPolarHBondContact CA-O 3.38Å; N145-F149 VanDerWaalsContact CG-O 3.31Å; N145-F149 PolarHBondContact N-O 3.4Å; N145-F149 PolarHBondContact OD1-N 3.37Å; N145-F149 VanDerWaalsContact OD1-N 3.14Å; N145-F149 PolarHBondContact OD1-O 3Å; D147-F149 HydrophobicContact CB-CD2 3.84Å; D147-F149 HydrophobicContact CB-CE2 4.19Å; F149-D151 PolarHBondContact O-N 3.34Å; F149-D151 VanDerWaalsContact O-N 3.15Å
150	I	93.9	Very high	93.2	Very high	55 Å²	55	59.6 Å²	59.6	28%	0.282	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-55.1	123.5	172.1	-59.5	175.5	0	0	0	109.1	F143 K155 V165 V167	F143-I150 WeakPolarHBondContact O-CA 3.32Å; I150-K155 HydrophobicContact CB-CG 4.49Å; I150-K155 HydrophobicContact CG2-CD 4.46Å; I150-K155 HydrophobicContact CG2-CG 3.7Å; I150-V165 HydrophobicContact CG2-CB 4.43Å; I150-V165 HydrophobicContact CG2-CG1 4.19Å; I150-V165 HydrophobicContact CG2-CG2 4.02Å; I150-V167 HydrophobicContact CD1-CG2 3.88Å; I150-V167 HydrophobicContact CG1-CG2 4.28Å
151	D	93	Very high	93.2	Very high	22 Å²	22	59 Å²	59	12%	0.118	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-59.3	129.8	-178.8	-162.1	-55.3	0	0	0	109.9	S22 F143 N145 F149 Y153 W154 K155	S22-D151 PolarHBondContact OG-OD2 3.47Å; S22-D151 VanDerWaalsContact OG-OD2 3.11Å; F143-D151 PolarHBondContact O-N 2.95Å; N145-D151 HydrophobicContact CB-CB 4.34Å; F149-D151 PolarHBondContact O-N 3.34Å; F149-D151 VanDerWaalsContact O-N 3.15Å; D151-Y153 PolarHBondContact O-N 2.82Å; D151-Y153 VanDerWaalsContact O-N 3.11Å; D151-Y153 VanDerWaalsContact OD1-CB 3.29Å; D151-Y153 WeakPolarHBondContact OD1-CB 3.35Å; D151-Y153 PolarHBondContact OD1-N 2.89Å; D151-W154 HydrophobicContact CB-CG 4.4Å; D151-W154 PolarHBondContact O-N 2.79Å; D151-K155 PolarHBondContact O-N 3.35Å
152	P	93.6	Very high	93.2	Very high	91 Å²	91	65.8 Å²	65.8	59%	0.591	35%	0.354	S	S	*	.	H	α-helix	trans	-53.5	-30.3	176.2	-27.5	35.5	0	0	0	113.7	K155 K156	P152-K155 PolarHBondContact O-N 2.93Å; P152-K156 PolarHBondContact O-N 2.85Å; P152-K156 VanDerWaalsContact O-N 3.12Å
153	Y	94.9	Very high	93.3	Very high	48 Å²	48	67.3 Å²	67.3	19%	0.188	36%	0.36	C	S	.	.	H	α-helix	trans	-56.9	-50.5	173.4	-178.9	-87.8	0	0	0	111.1	A14 F16 A19 D151 K155 K156 Y157	A14-Y153 HydrophobicContact CB-CD2 3.97Å; A14-Y153 WeakPolarHBondContact O-CD2 3.21Å; A14-Y153 WeakPolarHBondContact O-CE2 3.33Å; F16-Y153 WeakPolarHBondContact CA-OH 3.33Å; F16-Y153 WeakPolarHBondContact CB-OH 3.26Å; F16-Y153 HydrophobicContact CD2-CE1 4.21Å; F16-Y153 PolarHBondContact N-OH 2.77Å; A19-Y153 HydrophobicContact CB-CD1 3.21Å; A19-Y153 HydrophobicContact CB-CD2 4.32Å; A19-Y153 HydrophobicContact CB-CE1 3.81Å; A19-Y153 HydrophobicContact CB-CG 3.52Å; D151-Y153 PolarHBondContact O-N 2.82Å; D151-Y153 VanDerWaalsContact O-N 3.11Å; D151-Y153 VanDerWaalsContact OD1-CB 3.29Å; D151-Y153 WeakPolarHBondContact OD1-CB 3.35Å; D151-Y153 PolarHBondContact OD1-N 2.89Å; Y153-K155 PolarHBondContact O-N 3.15Å; Y153-K156 PolarHBondContact O-N 2.83Å; Y153-Y157 AromaticContact CE1-CD2 3.98Å; Y153-Y157 HydrophobicContact CE1-CD2 3.98Å; Y153-Y157 HydrophobicContact CE1-CG 4.31Å; Y153-Y157 VanDerWaalsContact O-CB 3.3Å; Y153-Y157 WeakPolarHBondContact O-CB 3.34Å; Y153-Y157 PolarHBondContact O-N 3.19Å
154	W	96.3	Very high	93.4	Very high	4 Å²	4	74 Å²	74	2%	0.015	40%	0.397	C	S	.	.	H	α-helix	trans	-67.3	-38.7	-178	-65.5	124.4	0	0	0	112	F16 A19 V20 C23 F104 F143 D151 K156 Y157 F158 V165	F16-W154 HydrophobicContact CD2-CH2 4.17Å; F16-W154 HydrophobicContact CD2-CZ3 4.42Å; F16-W154 AromaticContact CE2-CH2 3.71Å; F16-W154 HydrophobicContact CE2-CH2 3.71Å; F16-W154 AromaticContact CE2-CZ3 3.97Å; F16-W154 HydrophobicContact CE2-CZ3 3.97Å; F16-W154 HydrophobicContact CZ-CH2 4.14Å; A19-W154 HydrophobicContact CB-CD2 4.46Å; A19-W154 HydrophobicContact CB-CZ2 3.75Å; A19-W154 PolarHBondContact O-NE1 2.96Å; V20-W154 HydrophobicContact CG2-CH2 3.91Å; V20-W154 HydrophobicContact CG2-CZ2 3.84Å; C23-W154 PolarHBondContact SG-NE1 3.25Å; F104-W154 HydrophobicContact CE2-CE3 4.45Å; F104-W154 HydrophobicContact CE2-CH2 4.11Å; F104-W154 AromaticContact CE2-CZ3 3.68Å; F104-W154 HydrophobicContact CE2-CZ3 3.68Å; F104-W154 AromaticContact CZ-CH2 3.74Å; F104-W154 HydrophobicContact CZ-CH2 3.74Å; F104-W154 AromaticContact CZ-CZ3 3.76Å; F104-W154 HydrophobicContact CZ-CZ3 3.76Å; F143-W154 HydrophobicContact CB-CB 4.09Å; F143-W154 HydrophobicContact CB-CG 3.9Å; F143-W154 HydrophobicContact CD1-CB 4.27Å; F143-W154 AromaticContact CD1-CD1 3.8Å; F143-W154 AromaticContact CD1-CD2 3.54Å; F143-W154 HydrophobicContact CD1-CD2 3.54Å; F143-W154 AromaticContact CD1-CE2 3.74Å; F143-W154 AromaticContact CD1-CE3 4Å; F143-W154 HydrophobicContact CD1-CE3 4Å; F143-W154 AromaticContact CD1-CG 3.64Å; F143-W154 HydrophobicContact CD1-CG 3.64Å; F143-W154 HydrophobicContact CD1-CZ2 4.36Å; F143-W154 AromaticContact CD1-NE1 3.9Å; F143-W154 HydrophobicContact CE1-CD2 4.16Å; F143-W154 HydrophobicContact CE1-CE3 4.18Å; F143-W154 HydrophobicContact CE1-CZ3 4.42Å; F143-W154 HydrophobicContact CG-CG 4.21Å; D151-W154 HydrophobicContact CB-CG 4.4Å; D151-W154 PolarHBondContact O-N 2.79Å; W154-K156 VanDerWaalsContact C-N 3.3Å; W154-K156 PolarHBondContact O-N 2.89Å; W154-Y157 AromaticContact CE3-CD1 3.92Å; W154-Y157 HydrophobicContact CE3-CD1 3.92Å; W154-Y157 HydrophobicContact CE3-CG 4.05Å; W154-Y157 AromaticContact CZ3-CD1 3.97Å; W154-Y157 HydrophobicContact CZ3-CD1 3.97Å; W154-Y157 HydrophobicContact CZ3-CE1 4.14Å; W154-Y157 HydrophobicContact CZ3-CG 4.15Å; W154-Y157 PolarHBondContact O-N 2.77Å; W154-F158 HydrophobicContact CB-CD2 4.33Å; W154-F158 HydrophobicContact CB-CE2 4.45Å; W154-F158 HydrophobicContact CE3-CD2 4.5Å; W154-F158 AromaticContact CE3-CE2 3.98Å; W154-F158 HydrophobicContact CE3-CE2 3.98Å; W154-F158 VanDerWaalsContact O-CD2 3.26Å; W154-F158 WeakPolarHBondContact O-CD2 3.05Å; W154-F158 PolarHBondContact O-N 3.03Å; W154-V165 HydrophobicContact CB-CG1 4.49Å
155	K	95.4	Very high	93.6	Very high	125 Å²	125	73.7 Å²	73.7	54%	0.543	40%	0.395	S	S	.	.	H	α-helix	trans	-56.4	-45.5	173.8	-65.9	-173.2	-178.6	-179	0	111.8	I150 D151 P152 Y153 G159 V165	I150-K155 HydrophobicContact CB-CG 4.49Å; I150-K155 HydrophobicContact CG2-CD 4.46Å; I150-K155 HydrophobicContact CG2-CG 3.7Å; D151-K155 PolarHBondContact O-N 3.35Å; P152-K155 PolarHBondContact O-N 2.93Å; Y153-K155 PolarHBondContact O-N 3.15Å; K155-G159 PolarHBondContact O-N 3.26Å; K155-V165 HydrophobicContact CG-CG2 4.49Å
156	K	96	Very high	94	Very high	141 Å²	141	72.3 Å²	72.3	61%	0.613	39%	0.388	S	S	*	.	H	α-helix	trans	-66	-47.5	176.1	-178.3	179.2	171.8	-176.7	0	111.4	P152 Y153 W154 F158 G159 E160	P152-K156 PolarHBondContact O-N 2.85Å; P152-K156 VanDerWaalsContact O-N 3.12Å; Y153-K156 PolarHBondContact O-N 2.83Å; W154-K156 VanDerWaalsContact C-N 3.3Å; W154-K156 PolarHBondContact O-N 2.89Å; K156-F158 PolarHBondContact O-N 2.98Å; K156-G159 PolarHBondContact O-N 3Å; K156-E160 WeakPolarHBondContact CE-OE1 3.22Å; K156-E160 IonicContact NZ-OE1 3.85Å; K156-E160 WeakPolarHBondContact O-CG 3.4Å; K156-E160 PolarHBondContact O-N 3.22Å
157	Y	96.2	Very high	94.5	Very high	8 Å²	8	72.5 Å²	72.5	3%	0.031	38%	0.383	C	S	.	.	H	α-helix	trans	-57.5	-45.2	-177.4	-177.7	-89.6	0	0	0	113.1	F16 D102 F104 Y153 W154 R161	F16-Y157 HydrophobicContact CD2-CE2 4.15Å; F16-Y157 HydrophobicContact CE2-CE2 4.18Å; D102-Y157 WeakPolarHBondContact O-CE1 3.47Å; D102-Y157 PolarHBondContact O-OH 3.45Å; F104-Y157 HydrophobicContact CE2-CE1 4.08Å; Y153-Y157 AromaticContact CE1-CD2 3.98Å; Y153-Y157 HydrophobicContact CE1-CD2 3.98Å; Y153-Y157 HydrophobicContact CE1-CG 4.31Å; Y153-Y157 VanDerWaalsContact O-CB 3.3Å; Y153-Y157 WeakPolarHBondContact O-CB 3.34Å; Y153-Y157 PolarHBondContact O-N 3.19Å; W154-Y157 AromaticContact CE3-CD1 3.92Å; W154-Y157 HydrophobicContact CE3-CD1 3.92Å; W154-Y157 HydrophobicContact CE3-CG 4.05Å; W154-Y157 AromaticContact CZ3-CD1 3.97Å; W154-Y157 HydrophobicContact CZ3-CD1 3.97Å; W154-Y157 HydrophobicContact CZ3-CE1 4.14Å; W154-Y157 HydrophobicContact CZ3-CG 4.15Å; W154-Y157 PolarHBondContact O-N 2.77Å; Y157-R161 VanDerWaalsContact CZ-CZ 3.45Å; Y157-R161 PolarHBondContact O-NH1 2.91Å; Y157-R161 PolarHBondContact OH-NH2 3.48Å
158	F	97	Very high	94.9	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-78.5	-32.4	176.5	-74	-77.5	0	0	0	112.3	F104 F143 W154 K156 E160 R161 N162 M163 V165 P166	F104-F158 HydrophobicContact CD2-CE1 4.43Å; F104-F158 AromaticContact CD2-CZ 3.73Å; F104-F158 HydrophobicContact CD2-CZ 3.73Å; F104-F158 HydrophobicContact CE2-CZ 4.05Å; F143-F158 HydrophobicContact CD1-CE2 4Å; F143-F158 AromaticContact CE1-CE2 3.74Å; F143-F158 HydrophobicContact CE1-CE2 3.74Å; F143-F158 AromaticContact CE1-CZ 3.9Å; F143-F158 HydrophobicContact CE1-CZ 3.9Å; F143-F158 HydrophobicContact CE2-CE2 4.49Å; F143-F158 HydrophobicContact CE2-CZ 4.42Å; F143-F158 HydrophobicContact CG-CE2 4.47Å; F143-F158 HydrophobicContact CZ-CE2 4Å; F143-F158 AromaticContact CZ-CZ 3.8Å; F143-F158 HydrophobicContact CZ-CZ 3.8Å; W154-F158 HydrophobicContact CB-CD2 4.33Å; W154-F158 HydrophobicContact CB-CE2 4.45Å; W154-F158 HydrophobicContact CE3-CD2 4.5Å; W154-F158 AromaticContact CE3-CE2 3.98Å; W154-F158 HydrophobicContact CE3-CE2 3.98Å; W154-F158 VanDerWaalsContact O-CD2 3.26Å; W154-F158 WeakPolarHBondContact O-CD2 3.05Å; W154-F158 PolarHBondContact O-N 3.03Å; K156-F158 PolarHBondContact O-N 2.98Å; F158-E160 VanDerWaalsContact C-N 3.34Å; F158-E160 PolarHBondContact O-N 3.41Å; F158-R161 CarbonylContact O-C 3.59Å; F158-R161 WeakPolarHBondContact O-CA 3.44Å; F158-R161 WeakPolarHBondContact O-CB 3.45Å; F158-R161 PolarHBondContact O-N 2.96Å; F158-N162 PolarHBondContact O-N 2.99Å; F158-M163 CarbonylContact C-O 3.59Å; F158-M163 WeakPolarHBondContact CB-O 3.43Å; F158-M163 HydrophobicContact CD1-CB 4.32Å; F158-M163 PolarHBondContact O-N 3.39Å; F158-V165 HydrophobicContact CB-CG2 4.25Å; F158-V165 HydrophobicContact CD2-CB 4.17Å; F158-V165 HydrophobicContact CD2-CG1 4.04Å; F158-V165 HydrophobicContact CD2-CG2 3.86Å; F158-V165 HydrophobicContact CE2-CG1 4.04Å; F158-V165 HydrophobicContact CG-CG2 4.36Å; F158-P166 HydrophobicContact CE1-CG 3.76Å; F158-P166 HydrophobicContact CE2-CG 4.41Å; F158-P166 HydrophobicContact CZ-CG 3.6Å
159	G	96.8	Very high	95.2	Very high	40 Å²	40	74.4 Å²	74.4	41%	0.412	38%	0.378	S	S	.	.	H	α-helix	trans	-59.4	-41	173.2	0	0	0	0	0	113.2	K155 K156 R161 N162	K155-G159 PolarHBondContact O-N 3.26Å; K156-G159 PolarHBondContact O-N 3Å; G159-R161 PolarHBondContact O-N 3.12Å; G159-R161 VanDerWaalsContact O-N 3.12Å; G159-N162 PolarHBondContact O-N 3.34Å
160	E	95	Very high	95.3	Very high	128 Å²	128	70.4 Å²	70.4	60%	0.598	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-17.1	173.5	-72.9	172.2	178.8	0	0	113.3	K156 F158	K156-E160 WeakPolarHBondContact CE-OE1 3.22Å; K156-E160 IonicContact NZ-OE1 3.85Å; K156-E160 WeakPolarHBondContact O-CG 3.4Å; K156-E160 PolarHBondContact O-N 3.22Å; F158-E160 VanDerWaalsContact C-N 3.34Å; F158-E160 PolarHBondContact O-N 3.41Å
161	R	94.5	Very high	95.4	Very high	63 Å²	63	67.8 Å²	67.8	24%	0.238	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	4.6	177.1	-67.5	169.1	174.1	73.6	0.4	113	D102 Y157 F158 G159 M163	D102-R161 IonicContact OD2-CZ 3.67Å; D102-R161 IonicContact OD2-NE 3.55Å; D102-R161 PolarHBondContact OD2-NE 3.45Å; D102-R161 IonicContact OD2-NH2 3.66Å; Y157-R161 VanDerWaalsContact CZ-CZ 3.45Å; Y157-R161 PolarHBondContact O-NH1 2.91Å; Y157-R161 PolarHBondContact OH-NH2 3.48Å; F158-R161 CarbonylContact O-C 3.59Å; F158-R161 WeakPolarHBondContact O-CA 3.44Å; F158-R161 WeakPolarHBondContact O-CB 3.45Å; F158-R161 PolarHBondContact O-N 2.96Å; G159-R161 PolarHBondContact O-N 3.12Å; G159-R161 VanDerWaalsContact O-N 3.12Å; R161-M163 VanDerWaalsContact C-N 3.25Å; R161-M163 HydrophobicContact CB-CG 4.43Å; R161-M163 HydrophobicContact CB-SD 4.46Å; R161-M163 PolarHBondContact O-N 2.83Å
162	N	95.7	Very high	95.6	Very high	158 Å²	158	67.1 Å²	67.1	85%	0.845	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	40.1	-173.3	-54.6	-63.2	0	0	0	112.8	F158 G159	F158-N162 PolarHBondContact O-N 2.99Å; G159-N162 PolarHBondContact O-N 3.34Å
163	M	95.6	Very high	95.7	Very high	73 Å²	73	63.8 Å²	63.8	36%	0.36	33%	0.328	S	S	.	.			trans	-126.8	150.3	-179.9	-68.8	179.1	67.1	0	0	111.1	I103 F158 R161	I103-M163 HydrophobicContact CB-CE 4.02Å; I103-M163 HydrophobicContact CB-SD 4.26Å; I103-M163 HydrophobicContact CD1-CE 4.38Å; I103-M163 HydrophobicContact CG2-CE 3.87Å; I103-M163 HydrophobicContact CG2-SD 3.44Å; I103-M163 WeakPolarHBondContact CG2-SD 3.39Å; F158-M163 CarbonylContact C-O 3.59Å; F158-M163 WeakPolarHBondContact CB-O 3.43Å; F158-M163 HydrophobicContact CD1-CB 4.32Å; F158-M163 PolarHBondContact O-N 3.39Å; R161-M163 VanDerWaalsContact C-N 3.25Å; R161-M163 HydrophobicContact CB-CG 4.43Å; R161-M163 HydrophobicContact CB-SD 4.46Å; R161-M163 PolarHBondContact O-N 2.83Å
164	D	95.9	Very high	95.8	Very high	151 Å²	151	61.8 Å²	61.8	81%	0.807	32%	0.321	S	S	*	.			trans	-72	156.7	163.5	-70.6	-40.5	0	0	0	110.3	P166	D164-P166 WeakPolarHBondContact O-CD 3.19Å
165	V	96.9	Very high	95.8	Very high	26 Å²	26	61.6 Å²	61.6	16%	0.158	32%	0.32	C	S	.	.			trans	-68.7	124.8	173	-175.2	0	0	0	0	108.1	F143 I150 W154 K155 F158 V167	F143-V165 HydrophobicContact CB-CG1 3.51Å; F143-V165 HydrophobicContact CD1-CG1 4.4Å; F143-V165 HydrophobicContact CD2-CG1 3.51Å; F143-V165 HydrophobicContact CE2-CG1 4.31Å; F143-V165 HydrophobicContact CG-CG1 3.55Å; I150-V165 HydrophobicContact CG2-CB 4.43Å; I150-V165 HydrophobicContact CG2-CG1 4.19Å; I150-V165 HydrophobicContact CG2-CG2 4.02Å; W154-V165 HydrophobicContact CB-CG1 4.49Å; K155-V165 HydrophobicContact CG-CG2 4.49Å; F158-V165 HydrophobicContact CB-CG2 4.25Å; F158-V165 HydrophobicContact CD2-CB 4.17Å; F158-V165 HydrophobicContact CD2-CG1 4.04Å; F158-V165 HydrophobicContact CD2-CG2 3.86Å; F158-V165 HydrophobicContact CE2-CG1 4.04Å; F158-V165 HydrophobicContact CG-CG2 4.36Å; V165-V167 HydrophobicContact CB-CG2 4.25Å; V165-V167 HydrophobicContact CG1-CG2 3.92Å; V165-V167 PolarHBondContact O-N 3.03Å
166	P	96	Very high	95.7	Very high	7 Å²	7	58.9 Å²	58.9	5%	0.045	31%	0.306	C	S	.	.			trans	-77.9	63.5	-172.5	27.9	-29	0	0	0	111.7	F143 F158 D164 E169	F143-P166 HydrophobicContact CE2-CG 3.62Å; F143-P166 HydrophobicContact CZ-CG 3.92Å; F158-P166 HydrophobicContact CE1-CG 3.76Å; F158-P166 HydrophobicContact CE2-CG 4.41Å; F158-P166 HydrophobicContact CZ-CG 3.6Å; D164-P166 WeakPolarHBondContact O-CD 3.19Å; P166-E169 HydrophobicContact CB-CB 4.16Å; P166-E169 HydrophobicContact CB-CG 3.85Å; P166-E169 WeakPolarHBondContact CB-OE1 3.49Å
167	V	94.7	Very high	95.8	Very high	56 Å²	56	52.6 Å²	52.6	34%	0.339	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	137.6	179.1	-177.9	0	0	0	0	109.6	I150 V165 E169	I150-V167 HydrophobicContact CD1-CG2 3.88Å; I150-V167 HydrophobicContact CG1-CG2 4.28Å; V165-V167 HydrophobicContact CB-CG2 4.25Å; V165-V167 HydrophobicContact CG1-CG2 3.92Å; V165-V167 PolarHBondContact O-N 3.03Å; V167-E169 PolarHBondContact O-N 2.93Å
168	N	94.7	Very high	95.8	Very high	130 Å²	130	52.9 Å²	52.9	70%	0.695	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	1.2	-176	-55.8	-48.3	0	0	0	115.7	L141	L141-N168 PolarHBondContact O-N 3.4Å
169	E	95.6	Very high	95.7	Very high	90 Å²	90	55.7 Å²	55.7	42%	0.421	31%	0.306	S	S	.	.			trans	-66.7	153.3	169.2	-67.5	-167.7	-158.2	0	0	111.2	P140 L141 P166 V167	P140-E169 WeakPolarHBondContact CA-O 3.48Å; L141-E169 HydrophobicContact CD1-CB 4.47Å; L141-E169 PolarHBondContact N-O 3.47Å; P166-E169 HydrophobicContact CB-CB 4.16Å; P166-E169 HydrophobicContact CB-CG 3.85Å; P166-E169 WeakPolarHBondContact CB-OE1 3.49Å; V167-E169 PolarHBondContact O-N 2.93Å
170	C	94.6	Very high	95.7	Very high	63 Å²	63	54.7 Å²	54.7	43%	0.426	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	131.5	179.1	-151.9	0	0	0	0	110	L138	L138-C170 VanDerWaalsContact CB-SG 3.56Å; L138-C170 VanDerWaalsContact CD1-SG 3.55Å
171	G	96.1	Very high	95.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	-153.8	176.1	0	0	0	0	0	113	L138 H139	L138-G171 VanDerWaalsContact CD2-O 3.31Å; L138-G171 WeakPolarHBondContact CD2-O 3.48Å; H139-G171 PolarHBondContact N-O 3.35Å; H139-G171 CarbonylContact O-C 3.55Å; H139-G171 PolarHBondContact O-N 3.2Å; H139-G171 VanDerWaalsContact O-O 3.1Å
172	S	96.1	Very high	95.9	Very high	8 Å²	8	55.1 Å²	55.1	6%	0.056	30%	0.299	C	S	.	.			trans	-148	156.1	-178.6	60.7	0	0	0	0	111.1	Y118 C120	Y118-S172 WeakPolarHBondContact CE2-O 3.4Å; Y118-S172 VanDerWaalsContact CE2-OG 3.31Å; Y118-S172 WeakPolarHBondContact CE2-OG 3.36Å; Y118-S172 PolarHBondContact OH-N 3.44Å; Y118-S172 PolarHBondContact OH-OG 3.4Å; C120-S172 VanDerWaalsContact SG-C 3.56Å; C120-S172 PolarHBondContact SG-O 2.95Å; C120-S172 PolarHBondContact SG-OG 3.45Å
173	H	96.1	Very high	95.9	Very high	21 Å²	21	48.8 Å²	48.8	10%	0.097	27%	0.265	C	S	.	.			trans	-132.1	138.6	176.8	-167.7	-88.7	0	0	0	109.4	V20 G24 C120 S175 R176 L177	V20-H173 PolarHBondContact O-CE1 2.95Å; V20-H173 PolarHBondContact O-NE2 3.07Å; G24-H173 WeakPolarHBondContact CA-CE1 3.4Å; C120-H173 VanDerWaalsContact SG-C 3.57Å; H173-S175 VanDerWaalsContact C-N 3.26Å; H173-S175 PolarHBondContact ND1-N 2.99Å; H173-S175 PolarHBondContact ND1-OG 3.14Å; H173-S175 PolarHBondContact O-N 2.69Å; H173-R176 HydrophobicContact CB-CB 4.31Å; H173-R176 HydrophobicContact CB-CG 4.16Å; H173-R176 PolarHBondContact O-N 2.99Å; H173-L177 PolarHBondContact O-N 3.27Å
174	P	96.9	Very high	96	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.032	27%	0.271	C	S	.	.	H	α-helix	trans	-61.8	-33.2	-175	27.2	-37.6	0	0	0	112.6	F2 V20 I30 V33 C120 A178	F2-P174 VanDerWaalsContact CE1-O 3.24Å; F2-P174 WeakPolarHBondContact CE1-O 3.3Å; V20-P174 HydrophobicContact CG1-CG 4.16Å; I30-P174 HydrophobicContact CG2-CB 3.69Å; I30-P174 HydrophobicContact CG2-CG 4.11Å; V33-P174 HydrophobicContact CB-CB 4.34Å; V33-P174 HydrophobicContact CG1-CB 4.24Å; C120-P174 HydrophobicContact CB-CB 4.24Å; P174-A178 WeakPolarHBondContact O-CB 3.35Å; P174-A178 PolarHBondContact O-N 3.5Å
175	S	95.3	Very high	96	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-67.7	-35.8	174.1	75	0	0	0	0	113.4	G24 I25 Q28 H173 A178 A179	G24-S175 VanDerWaalsContact CA-OG 3.22Å; G24-S175 WeakPolarHBondContact CA-OG 3.35Å; I25-S175 PolarHBondContact N-OG 3.07Å; Q28-S175 PolarHBondContact OE1-O 3.29Å; H173-S175 VanDerWaalsContact C-N 3.26Å; H173-S175 PolarHBondContact ND1-N 2.99Å; H173-S175 PolarHBondContact ND1-OG 3.14Å; H173-S175 PolarHBondContact O-N 2.69Å; S175-A178 PolarHBondContact O-N 3.28Å; S175-A179 PolarHBondContact O-N 3.3Å
176	R	95	Very high	95.9	Very high	69 Å²	69	51 Å²	51	26%	0.26	27%	0.268	S	S	.	.	H	α-helix	trans	-72.7	-40.6	177.9	-67.4	-174	-177.8	163.4	1	110.5	P140 N142 H173 A178 A179 S180	P140-R176 PolarHBondContact O-NH1 3Å; N142-R176 PolarHBondContact ND2-NH2 2.76Å; H173-R176 HydrophobicContact CB-CB 4.31Å; H173-R176 HydrophobicContact CB-CG 4.16Å; H173-R176 PolarHBondContact O-N 2.99Å; R176-A178 VanDerWaalsContact C-N 3.3Å; R176-A178 PolarHBondContact O-N 3.43Å; R176-A179 PolarHBondContact O-N 3.12Å; R176-A179 VanDerWaalsContact O-N 3.09Å; R176-S180 PolarHBondContact O-N 2.77Å
177	L	96.6	Very high	95.9	Very high	8 Å²	8	51.7 Å²	51.7	4%	0.042	27%	0.273	C	S	.	.	H	α-helix	trans	-56.5	-46.2	171.4	-168.1	77.3	0	0	0	110.8	F2 V33 C120 V123 F136 H173 A179 S180 L183	F2-L177 HydrophobicContact CE1-CB 4.12Å; F2-L177 HydrophobicContact CE1-CD2 3.97Å; F2-L177 HydrophobicContact CE1-CG 4.26Å; F2-L177 HydrophobicContact CZ-CB 4.33Å; F2-L177 HydrophobicContact CZ-CD2 3.85Å; F2-L177 HydrophobicContact CZ-CG 4.04Å; V33-L177 HydrophobicContact CG1-CD2 4.33Å; V33-L177 HydrophobicContact CG2-CD2 4.29Å; C120-L177 HydrophobicContact CB-CD2 3.95Å; V123-L177 HydrophobicContact CB-CD2 4.19Å; V123-L177 HydrophobicContact CG1-CD2 4.16Å; F136-L177 HydrophobicContact CB-CD1 3.49Å; F136-L177 VanDerWaalsContact CB-CD1 3.49Å; F136-L177 HydrophobicContact CD1-CD1 3.5Å; F136-L177 VanDerWaalsContact CD1-CD1 3.5Å; F136-L177 HydrophobicContact CD1-CG 4.35Å; F136-L177 HydrophobicContact CD2-CD1 3.8Å; F136-L177 HydrophobicContact CE1-CD1 4.12Å; F136-L177 HydrophobicContact CE2-CD1 4.36Å; F136-L177 HydrophobicContact CG-CD1 3.3Å; H173-L177 PolarHBondContact O-N 3.27Å; L177-A179 PolarHBondContact O-N 3.07Å; L177-S180 WeakPolarHBondContact O-CB 3.33Å; L177-S180 PolarHBondContact O-N 3.48Å; L177-L183 WeakPolarHBondContact O-CD1 3.37Å
178	A	96.6	Very high	96	Very high	14 Å²	14	51.9 Å²	51.9	12%	0.116	27%	0.274	C	S	.	.	H	α-helix	trans	-63.7	-19.7	178.2	0	0	0	0	0	114.7	F2 I30 M75 P174 S175 R176	F2-A178 HydrophobicContact CD1-CB 3.61Å; F2-A178 HydrophobicContact CD2-CB 4.38Å; F2-A178 HydrophobicContact CE1-CB 3.58Å; F2-A178 HydrophobicContact CE2-CB 4.38Å; F2-A178 HydrophobicContact CG-CB 4Å; F2-A178 HydrophobicContact CZ-CB 3.98Å; I30-A178 HydrophobicContact CD1-CB 3.34Å; M75-A178 HydrophobicContact CE-CB 4.49Å; P174-A178 WeakPolarHBondContact O-CB 3.35Å; P174-A178 PolarHBondContact O-N 3.5Å; S175-A178 PolarHBondContact O-N 3.28Å; R176-A178 VanDerWaalsContact C-N 3.3Å; R176-A178 PolarHBondContact O-N 3.43Å
179	A	95.4	Very high	96.1	Very high	59 Å²	59	47.7 Å²	47.7	49%	0.488	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	2.7	177.3	0	0	0	0	0	112.9	I25 S175 R176 L177	I25-A179 HydrophobicContact CD1-CB 3.91Å; S175-A179 PolarHBondContact O-N 3.3Å; R176-A179 PolarHBondContact O-N 3.12Å; R176-A179 VanDerWaalsContact O-N 3.09Å; L177-A179 PolarHBondContact O-N 3.07Å
180	S	96.1	Very high	96.1	Very high	20 Å²	20	44.7 Å²	44.7	14%	0.14	25%	0.245	C	C	.	.			trans	-62.4	138.4	177.3	179.7	0	0	0	0	111.2	R176 L177 N182 L183	R176-S180 PolarHBondContact O-N 2.77Å; L177-S180 WeakPolarHBondContact O-CB 3.33Å; L177-S180 PolarHBondContact O-N 3.48Å; S180-N182 PolarHBondContact O-N 3.33Å; S180-N182 PolarHBondContact OG-N 3.13Å; S180-L183 PolarHBondContact O-N 3.5Å; S180-L183 VanDerWaalsContact O-N 3.1Å
181	E	96.3	Very high	96.2	Very high	167 Å²	167	41.7 Å²	41.7	78%	0.78	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.6	171.2	66.1	-173.1	168.5	0	0	113.3	L183	E181-L183 PolarHBondContact O-N 3.05Å
182	N	96.9	Very high	96.1	Very high	33 Å²	33	47.6 Å²	47.6	18%	0.176	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	9.3	176	-66	-39.6	0	0	0	112.9	V77 L78 V135 F136 S180	V77-N182 CarbonylContact C-O 3.45Å; V77-N182 WeakPolarHBondContact CA-O 3.43Å; L78-N182 PolarHBondContact N-O 3Å; V135-N182 HydrophobicContact CG1-CB 4.47Å; V135-N182 PolarHBondContact O-ND2 3.2Å; F136-N182 HydrophobicContact CE1-CB 4.36Å; S180-N182 PolarHBondContact O-N 3.33Å; S180-N182 PolarHBondContact OG-N 3.13Å
183	L	97.3	Very high	96.1	Very high	25 Å²	25	50.4 Å²	50.4	13%	0.131	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	136.3	176	-65.8	-179.4	0	0	0	112	F2 M75 N76 V77 F136 L177 S180 E181	F2-L183 HydrophobicContact CE2-CD1 3.67Å; F2-L183 HydrophobicContact CZ-CD1 3.64Å; M75-L183 HydrophobicContact CB-CD2 4.38Å; N76-L183 WeakPolarHBondContact O-CA 3.24Å; V77-L183 HydrophobicContact CB-CD2 4.38Å; V77-L183 HydrophobicContact CG2-CD2 3.74Å; F136-L183 HydrophobicContact CE1-CD1 4.33Å; F136-L183 HydrophobicContact CE1-CD2 3.9Å; F136-L183 HydrophobicContact CE1-CG 3.92Å; F136-L183 HydrophobicContact CZ-CD2 4.07Å; L177-L183 WeakPolarHBondContact O-CD1 3.37Å; S180-L183 PolarHBondContact O-N 3.5Å; S180-L183 VanDerWaalsContact O-N 3.1Å; E181-L183 PolarHBondContact O-N 3.05Å
184	E	96.4	Very high	96.1	Very high	101 Å²	101	52.9 Å²	52.9	47%	0.472	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.1	168.4	-179.9	-179.4	-129	0	0	110.1	M75 N76 L78 L186	M75-E184 CarbonylContact C-O 3.53Å; M75-E184 WeakPolarHBondContact CA-O 3.24Å; N76-E184 PolarHBondContact N-O 2.84Å; N76-E184 PolarHBondContact O-N 3.39Å; L78-E184 HydrophobicContact CD1-CB 4.11Å; L78-E184 HydrophobicContact CD2-CB 3.86Å; L78-E184 HydrophobicContact CG-CB 4.02Å; E184-L186 PolarHBondContact O-N 3.47Å
185	K	96.7	Very high	96.2	Very high	126 Å²	126	55.5 Å²	55.5	55%	0.548	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	115.7	176.8	-172.1	-179	-66.4	178.2	0	110.9	M75	M75-K185 HydrophobicContact CE-CB 4.29Å; M75-K185 HydrophobicContact CE-CG 4.27Å; M75-K185 WeakPolarHBondContact SD-CA 3.45Å; M75-K185 HydrophobicContact SD-CB 3.46Å; M75-K185 WeakPolarHBondContact SD-CB 3.48Å; M75-K185 HydrophobicContact SD-CG 3.75Å
186	L	95.4	Very high	96.3	Very high	68 Å²	68	57.2 Å²	57.2	36%	0.356	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-47.1	177.3	-60.3	178.1	0	0	0	111.8	L74 N76 E184 L207 F208	L74-L186 HydrophobicContact CB-CB 4.43Å; L74-L186 PolarHBondContact O-N 2.98Å; N76-L186 HydrophobicContact CB-CD1 4.25Å; N76-L186 HydrophobicContact CB-CD2 4.08Å; N76-L186 HydrophobicContact CB-CG 4.2Å; E184-L186 PolarHBondContact O-N 3.47Å; L186-L207 HydrophobicContact CB-CD1 4.45Å; L186-F208 HydrophobicContact CD1-CE2 4.19Å; L186-F208 HydrophobicContact CD1-CZ 3.79Å
187	C	95.6	Very high	96.4	Very high	23 Å²	23	54 Å²	54	16%	0.155	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	169.9	175.4	68.6	0	0	0	0	111.8	S73 L74	S73-C187 WeakPolarHBondContact CA-O 3.37Å; L74-C187 PolarHBondContact N-O 2.84Å; L74-C187 PolarHBondContact O-N 2.92Å
188	T	96.3	Very high	96.4	Very high	60 Å²	60	58.6 Å²	58.6	37%	0.368	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	136.4	168	-64.1	0	0	0	0	109.6	R71 V72 S73	R71-T188 HydrophobicContact CB-CG2 4.05Å; R71-T188 HydrophobicContact CG-CG2 4.33Å; V72-T188 WeakPolarHBondContact O-CA 3.26Å; S73-T188 PolarHBondContact OG-OG1 3.47Å
189	L	96.1	Very high	96.3	Very high	42 Å²	42	64.1 Å²	64.1	22%	0.22	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.7	-176	-64.9	154.6	0	0	0	109	R71 V72 L74 C200 R203	R71-L189 CarbonylContact C-O 3.44Å; R71-L189 WeakPolarHBondContact CA-O 3.42Å; V72-L189 PolarHBondContact N-O 3.38Å; V72-L189 PolarHBondContact O-N 3.01Å; L74-L189 HydrophobicContact CD1-CD1 4.17Å; L189-C200 HydrophobicContact CD1-CB 4.07Å; L189-R203 HydrophobicContact CD1-CB 3.95Å; L189-R203 HydrophobicContact CD1-CG 4.01Å
190	G	96.1	Very high	96.3	Very high	27 Å²	27	61.3 Å²	61.3	28%	0.278	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	140	167.1	0	0	0	0	0	110.1
191	V	96.3	Very high	96.3	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	107.2	175.8	-177.5	0	0	0	0	109.1	L60 V64 M70 V72 E196 A197 C200	L60-V191 HydrophobicContact CD2-CB 4.38Å; L60-V191 HydrophobicContact CD2-CG1 4.04Å; L60-V191 HydrophobicContact CD2-CG2 4.05Å; V64-V191 HydrophobicContact CG2-CG1 3.63Å; M70-V191 HydrophobicContact CG-CB 4.02Å; M70-V191 PolarHBondContact N-O 3.34Å; M70-V191 PolarHBondContact O-N 3.37Å; V72-V191 HydrophobicContact CG2-CG2 3.86Å; V191-E196 WeakPolarHBondContact CA-OE2 3.36Å; V191-E196 HydrophobicContact CG1-CB 4.5Å; V191-A197 HydrophobicContact CG1-CB 3.9Å; V191-C200 HydrophobicContact CG2-CB 3.79Å
192	R	95.3	Very high	96.2	Very high	124 Å²	124	56.1 Å²	56.1	47%	0.468	29%	0.289	S	S	.	.	S	Bend	trans	-122.8	-20.9	-177.1	-51.7	169	-162.2	110.2	-5.2	112.1	L6 E69 E196	L6-R192 HydrophobicContact CD1-CG 3.56Å; E69-R192 HydrophobicContact CB-CG 4.45Å; E69-R192 HydrophobicContact CG-CB 4.22Å; E69-R192 HydrophobicContact CG-CG 4.27Å; R192-E196 WeakPolarHBondContact CA-OE2 3.16Å; R192-E196 VanDerWaalsContact CB-OE2 3.24Å; R192-E196 WeakPolarHBondContact CB-OE2 3.45Å; R192-E196 WeakPolarHBondContact CG-OE2 3.4Å; R192-E196 IonicContact CZ-OE1 2.77Å; R192-E196 PolarHBondContact N-OE2 3.02Å; R192-E196 IonicContact NH1-OE1 3.95Å; R192-E196 PolarHBondContact NH1-OE1 3.12Å; R192-E196 IonicContact NH1-OE2 3.92Å
193	N	96	Very high	96	Very high	66 Å²	66	60.3 Å²	60.3	35%	0.353	30%	0.303	S	S	.	.	S	Bend	trans	-144.3	173	-178.2	63.4	60.9	0	0	0	111.5	A195 E196 A197	N193-A195 VanDerWaalsContact C-N 3.31Å; N193-A195 PolarHBondContact O-N 2.94Å; N193-A195 WeakPolarHBondContact OD1-CB 3.46Å; N193-A195 PolarHBondContact OD1-N 3.42Å; N193-E196 PolarHBondContact O-N 2.98Å; N193-E196 PolarHBondContact OD1-N 3.36Å; N193-A197 PolarHBondContact O-N 3.26Å
194	I	96.7	Very high	95.8	Very high	74 Å²	74	59.1 Å²	59.1	38%	0.379	30%	0.296	S	S	.	.	H	α-helix	trans	-65.2	-32.5	-176.1	-62.3	177	0	0	0	112.2	F57 K61 V64 A197 M198	F57-I194 HydrophobicContact CE2-CG2 4.3Å; F57-I194 HydrophobicContact CZ-CG2 4.06Å; K61-I194 HydrophobicContact CG-CD1 4.45Å; K61-I194 HydrophobicContact CG-CG1 4.4Å; V64-I194 HydrophobicContact CG1-CG1 4.49Å; I194-A197 WeakPolarHBondContact O-CB 3.3Å; I194-A197 PolarHBondContact O-N 3.35Å; I194-M198 PolarHBondContact O-N 3.23Å
195	A	97.5	Very high	95.6	Very high	60 Å²	60	58.1 Å²	58.1	50%	0.496	29%	0.288	S	S	.	.	H	α-helix	trans	-68	-43.6	178.2	0	0	0	0	0	111	N193 A197 M198 Q199	N193-A195 VanDerWaalsContact C-N 3.31Å; N193-A195 PolarHBondContact O-N 2.94Å; N193-A195 WeakPolarHBondContact OD1-CB 3.46Å; N193-A195 PolarHBondContact OD1-N 3.42Å; A195-A197 VanDerWaalsContact C-N 3.32Å; A195-A197 PolarHBondContact O-N 3.19Å; A195-M198 WeakPolarHBondContact O-CB 3.19Å; A195-M198 PolarHBondContact O-N 3.22Å; A195-Q199 WeakPolarHBondContact O-CG 3.44Å; A195-Q199 PolarHBondContact O-N 3.5Å
196	E	97.4	Very high	95.3	Very high	36 Å²	36	56.5 Å²	56.5	17%	0.168	29%	0.285	C	S	.	.	H	α-helix	trans	-65.4	-34.7	173.9	-68.1	176.6	175.3	0	0	112	V191 R192 N193 Q199 C200	V191-E196 WeakPolarHBondContact CA-OE2 3.36Å; V191-E196 HydrophobicContact CG1-CB 4.5Å; R192-E196 WeakPolarHBondContact CA-OE2 3.16Å; R192-E196 VanDerWaalsContact CB-OE2 3.24Å; R192-E196 WeakPolarHBondContact CB-OE2 3.45Å; R192-E196 WeakPolarHBondContact CG-OE2 3.4Å; R192-E196 IonicContact CZ-OE1 2.77Å; R192-E196 PolarHBondContact N-OE2 3.02Å; R192-E196 IonicContact NH1-OE1 3.95Å; R192-E196 PolarHBondContact NH1-OE1 3.12Å; R192-E196 IonicContact NH1-OE2 3.92Å; N193-E196 PolarHBondContact O-N 2.98Å; N193-E196 PolarHBondContact OD1-N 3.36Å; E196-Q199 PolarHBondContact O-N 2.66Å; E196-C200 WeakPolarHBondContact O-CB 2.97Å; E196-C200 PolarHBondContact O-N 3.39Å
197	A	96.7	Very high	94.9	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.4	-42.6	172	0	0	0	0	0	112	F57 L60 V191 N193 I194 A195 C200 S201	F57-A197 HydrophobicContact CD2-CB 4.33Å; F57-A197 HydrophobicContact CE2-CB 4.2Å; L60-A197 HydrophobicContact CB-CB 3.65Å; L60-A197 HydrophobicContact CD1-CB 4.48Å; L60-A197 WeakPolarHBondContact CD1-O 3.21Å; V191-A197 HydrophobicContact CG1-CB 3.9Å; N193-A197 PolarHBondContact O-N 3.26Å; I194-A197 WeakPolarHBondContact O-CB 3.3Å; I194-A197 PolarHBondContact O-N 3.35Å; A195-A197 VanDerWaalsContact C-N 3.32Å; A195-A197 PolarHBondContact O-N 3.19Å; A197-C200 PolarHBondContact O-N 2.85Å; A197-S201 PolarHBondContact O-N 3Å
198	M	96.5	Very high	94.1	Very high	106 Å²	106	57 Å²	57	52%	0.522	28%	0.284	S	S	.	.	H	α-helix	trans	-64.5	-47.3	175.7	-176.6	175.4	-77.5	0	0	111.3	F57 I194 A195 C200 S201 E202	F57-M198 HydrophobicContact CD2-CB 4.25Å; F57-M198 HydrophobicContact CE2-CB 3.77Å; F57-M198 HydrophobicContact CE2-CE 4.42Å; F57-M198 HydrophobicContact CZ-CE 4.14Å; I194-M198 PolarHBondContact O-N 3.23Å; A195-M198 WeakPolarHBondContact O-CB 3.19Å; A195-M198 PolarHBondContact O-N 3.22Å; M198-C200 VanDerWaalsContact C-N 3.26Å; M198-C200 PolarHBondContact O-N 3.15Å; M198-S201 PolarHBondContact O-N 2.99Å; M198-E202 PolarHBondContact O-N 3.21Å
199	Q	95.8	Very high	92.8	Very high	129 Å²	129	57.3 Å²	57.3	60%	0.603	29%	0.289	S	S	*	.	H	α-helix	trans	-58.2	-39.7	176.2	-70.4	174	7.2	0	0	112	A195 E196 E202 R203	A195-Q199 WeakPolarHBondContact O-CG 3.44Å; A195-Q199 PolarHBondContact O-N 3.5Å; E196-Q199 PolarHBondContact O-N 2.66Å; Q199-E202 PolarHBondContact O-N 2.97Å; Q199-R203 WeakPolarHBondContact O-CB 3.29Å; Q199-R203 PolarHBondContact O-N 2.94Å
200	C	95.5	Very high	90.7	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.007	32%	0.319	C	S	.	.	H	α-helix	trans	-65.5	-43.9	177.1	-179.5	0	0	0	0	112.6	L60 L189 V191 E196 A197 M198 R203 A204	L60-C200 HydrophobicContact CD1-CB 4.06Å; L189-C200 HydrophobicContact CD1-CB 4.07Å; V191-C200 HydrophobicContact CG2-CB 3.79Å; E196-C200 WeakPolarHBondContact O-CB 2.97Å; E196-C200 PolarHBondContact O-N 3.39Å; A197-C200 PolarHBondContact O-N 2.85Å; M198-C200 VanDerWaalsContact C-N 3.26Å; M198-C200 PolarHBondContact O-N 3.15Å; C200-R203 PolarHBondContact O-N 2.99Å; C200-A204 PolarHBondContact O-N 2.87Å
201	S	95	Very high	88.7	Confident	5 Å²	5	68.1 Å²	68.1	4%	0.035	33%	0.331	C	S	.	.	H	α-helix	trans	-63.1	-42.2	175.4	-169.2	0	0	0	0	112.1	A197 M198 A204 R205	A197-S201 PolarHBondContact O-N 3Å; M198-S201 PolarHBondContact O-N 2.99Å; S201-A204 PolarHBondContact O-N 2.54Å; S201-R205 PolarHBondContact O-N 2.74Å
202	E	94.5	Very high	88.3	Confident	73 Å²	73	71.6 Å²	71.6	34%	0.341	35%	0.348	S	S	.	.	H	α-helix	trans	-67.4	-38.7	177.7	-75.6	-55.2	122.1	0	0	112.3	M198 Q199 A204 R205 L206	M198-E202 PolarHBondContact O-N 3.21Å; Q199-E202 PolarHBondContact O-N 2.97Å; E202-A204 VanDerWaalsContact C-N 3.34Å; E202-A204 PolarHBondContact O-N 2.81Å; E202-R205 WeakPolarHBondContact O-CB 3.45Å; E202-R205 PolarHBondContact O-N 2.78Å; E202-R205 IonicContact OE1-NE 3.35Å; E202-R205 IonicContact OE2-CZ 3.7Å; E202-R205 IonicContact OE2-NE 3.63Å; E202-R205 PolarHBondContact OE2-NE 3.13Å; E202-R205 IonicContact OE2-NH2 2.72Å; E202-R205 PolarHBondContact OE2-NH2 3.11Å; E202-L206 WeakPolarHBondContact O-CG 3.33Å; E202-L206 PolarHBondContact O-N 3.44Å
203	R	93.6	Very high	87.9	Confident	121 Å²	121	68.8 Å²	68.8	46%	0.457	34%	0.342	S	S	.	.	H	α-helix	trans	-64.4	-39.8	175.5	-174.5	60.7	176.6	-156.8	2.1	111.8	L189 Q199 C200 R205 L207	L189-R203 HydrophobicContact CD1-CB 3.95Å; L189-R203 HydrophobicContact CD1-CG 4.01Å; Q199-R203 WeakPolarHBondContact O-CB 3.29Å; Q199-R203 PolarHBondContact O-N 2.94Å; C200-R203 PolarHBondContact O-N 2.99Å; R203-R205 VanDerWaalsContact C-N 3.35Å; R203-L207 HydrophobicContact CG-CD1 4.14Å; R203-L207 WeakPolarHBondContact O-CG 3.49Å; R203-L207 PolarHBondContact O-N 3.11Å
204	A	92.9	Very high	87.5	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-62.3	-43.7	173.9	0	0	0	0	0	111.3	M1 L36 L56 L74 C200 S201 E202 L206 L207 F208	M1-A204 HydrophobicContact CE-CB 4.26Å; L36-A204 HydrophobicContact CD2-CB 4.23Å; L56-A204 HydrophobicContact CD2-CB 3.57Å; L74-A204 HydrophobicContact CD2-CB 3.88Å; C200-A204 PolarHBondContact O-N 2.87Å; S201-A204 PolarHBondContact O-N 2.54Å; E202-A204 VanDerWaalsContact C-N 3.34Å; E202-A204 PolarHBondContact O-N 2.81Å; A204-L206 PolarHBondContact O-N 3.15Å; A204-L207 PolarHBondContact O-N 2.9Å; A204-F208 WeakPolarHBondContact O-CD2 3.4Å; A204-F208 PolarHBondContact O-N 3.17Å
205	R	91.2	Very high	86.9	Confident	79 Å²	79	68.6 Å²	68.6	30%	0.298	34%	0.339	S	S	.	.	H	α-helix	trans	-57.8	-51.2	175.9	-178.5	-172.3	77.8	84.8	-9.6	112.5	G39 H40 S201 E202 R203 L207 F208 S209	G39-R205 WeakPolarHBondContact O-CA 3.23Å; G39-R205 PolarHBondContact O-N 2.71Å; H40-R205 WeakPolarHBondContact CE1-CD 3.19Å; H40-R205 WeakPolarHBondContact NE2-CD 3.41Å; H40-R205 WeakPolarHBondContact NE2-CG 3.19Å; S201-R205 PolarHBondContact O-N 2.74Å; E202-R205 WeakPolarHBondContact O-CB 3.45Å; E202-R205 PolarHBondContact O-N 2.78Å; E202-R205 IonicContact OE1-NE 3.35Å; E202-R205 IonicContact OE2-CZ 3.7Å; E202-R205 IonicContact OE2-NE 3.63Å; E202-R205 PolarHBondContact OE2-NE 3.13Å; E202-R205 IonicContact OE2-NH2 2.72Å; E202-R205 PolarHBondContact OE2-NH2 3.11Å; R203-R205 VanDerWaalsContact C-N 3.35Å; R205-L207 VanDerWaalsContact C-N 3.34Å; R205-L207 PolarHBondContact O-N 3.12Å; R205-F208 CarbonylContact O-C 3.57Å; R205-F208 PolarHBondContact O-N 3.15Å; R205-S209 WeakPolarHBondContact O-CB 3.45Å; R205-S209 PolarHBondContact O-N 3.08Å; R205-S209 PolarHBondContact O-OG 2.94Å; R205-S209 VanDerWaalsContact O-OG 3.1Å
206	L	90.9	Very high	86.3	Confident	92 Å²	92	69.2 Å²	69.2	48%	0.482	33%	0.329	S	S	.	.	H	α-helix	trans	-63.8	-36.8	-176.5	-70.1	170.9	0	0	0	113.1	E202 A204 F208 S209	E202-L206 WeakPolarHBondContact O-CG 3.33Å; E202-L206 PolarHBondContact O-N 3.44Å; A204-L206 PolarHBondContact O-N 3.15Å; L206-F208 VanDerWaalsContact C-N 3.3Å; L206-F208 PolarHBondContact O-N 2.92Å; L206-S209 PolarHBondContact O-OG 3.21Å
207	L	86.9	Confident	85.5	Confident	57 Å²	57	71.4 Å²	71.4	30%	0.298	34%	0.339	S	S	.	.	H	α-helix	trans	-73.1	-22.5	180	-73.7	172	0	0	0	113.6	L74 L186 R203 A204 R205	L74-L207 HydrophobicContact CD2-CD1 3.77Å; L186-L207 HydrophobicContact CB-CD1 4.45Å; R203-L207 HydrophobicContact CG-CD1 4.14Å; R203-L207 WeakPolarHBondContact O-CG 3.49Å; R203-L207 PolarHBondContact O-N 3.11Å; A204-L207 PolarHBondContact O-N 2.9Å; R205-L207 VanDerWaalsContact C-N 3.34Å; R205-L207 PolarHBondContact O-N 3.12Å
208	F	79.6	Confident	84.7	Confident	44 Å²	44	76.5 Å²	76.5	19%	0.193	36%	0.364	C	S	.	.	H	α-helix	trans	-124	11.4	-173.3	-67.3	-84	0	0	0	113.2	L36 L74 L186 A204 R205 L206	L36-F208 HydrophobicContact CD2-CB 3.72Å; L36-F208 HydrophobicContact CD2-CD1 4.43Å; L36-F208 HydrophobicContact CD2-CD2 3.3Å; L36-F208 HydrophobicContact CD2-CE2 3.97Å; L36-F208 HydrophobicContact CD2-CG 3.58Å; L74-F208 HydrophobicContact CD2-CE2 4.18Å; L186-F208 HydrophobicContact CD1-CE2 4.19Å; L186-F208 HydrophobicContact CD1-CZ 3.79Å; A204-F208 WeakPolarHBondContact O-CD2 3.4Å; A204-F208 PolarHBondContact O-N 3.17Å; R205-F208 CarbonylContact O-C 3.57Å; R205-F208 PolarHBondContact O-N 3.15Å; L206-F208 VanDerWaalsContact C-N 3.3Å; L206-F208 PolarHBondContact O-N 2.92Å
209	S	67.7	Low	83.8	Confident	67 Å²	67	74.2 Å²	74.2	47%	0.469	35%	0.352	S	S	.	.	S	Bend	trans	-86.3	-8.8	171	55.2	0	0	0	0	113.3	R205 L206	R205-S209 WeakPolarHBondContact O-CB 3.45Å; R205-S209 PolarHBondContact O-N 3.08Å; R205-S209 PolarHBondContact O-OG 2.94Å; R205-S209 VanDerWaalsContact O-OG 3.1Å; L206-S209 PolarHBondContact O-OG 3.21Å
210	E	53.4	Low	82.8	Confident	181 Å²	181	69.7 Å²	69.7	85%	0.846	33%	0.331	S	S	*	.			trans	-105.8	8.9	-179.2	-62.6	-171.2	169.1	0	0	113.3
211	E	52.6	Low	81.7	Confident	116 Å²	116	75.9 Å²	75.9	54%	0.542	36%	0.36	S	S	.	.			trans	-107.3	0	172.7	-62.4	-164.1	142.1	0	0	111.8	L82 R85	L82-E211 HydrophobicContact CD1-CB 4.06Å; L82-E211 WeakPolarHBondContact CD2-O 3.17Å; R85-E211 IonicContact CZ-OE1 2.79Å; R85-E211 IonicContact CZ-OE2 2.62Å; R85-E211 IonicContact NH1-OE1 3.14Å; R85-E211 PolarHBondContact NH1-OE1 2.93Å; R85-E211 IonicContact NH1-OE2 3.92Å; R85-E211 PolarHBondContact NH1-OE2 2.74Å; R85-E211 IonicContact NH2-OE1 3.93Å; R85-E211 PolarHBondContact NH2-OE1 3.14Å; R85-E211 IonicContact NH2-OE2 2.81Å

Retrieved 211 of 211 residues in 220 ms (Link to these results)

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