A0A5K4F4R6_SCHMA Loading...

16 kDa calcium-binding protein

AlphaFold DB , UniProt , Accession A0A5K4F4R6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 143 aa.

						>A0A5K4F4R6_SCHMA|A0A5K4F4R6
MAVMYVLEREFDSVDKNSDGFLSRAEIIGCLERFGFDKRKAEEVIKLYDEDKDGKISKNEFMKATNKKLSQTDVSCAALRKIFREMDKNKDRTISKQELKNYMKSDCNFIFPIQVDQWVDKYDKNKDGRLNYEEFIEFVSQYL
					

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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	53.2	Low	63.5	Low	179 Å²	179	54.1 Å²	54.1	88%	0.882	26%	0.258	S	S	*	.				0	-57	0	-101.8	-176	-92.5	0	0	112.7	V3 M4 Y5	M1-V3 PolarHBondContact O-N 2.6Å; M1-V3 VanDerWaalsContact O-N 3.16Å; M1-M4 WeakPolarHBondContact O-CB 3.5Å; M1-M4 PolarHBondContact O-N 2.84Å; M1-Y5 HydrophobicContact CB-CE2 4.33Å; M1-Y5 HydrophobicContact CG-CE2 4.17Å; M1-Y5 WeakPolarHBondContact O-CD2 3.34Å; M1-Y5 HydrophobicContact SD-CE2 4.44Å
2	A	56.2	Low	64.2	Low	46 Å²	46	59 Å²	59	38%	0.38	29%	0.287	S	S	.	.	H	α-helix	trans	-52.3	-41.4	-173.6	0	0	0	0	0	116.4	M4 Y5 V6 F36	A2-M4 VanDerWaalsContact C-N 3.31Å; A2-M4 PolarHBondContact O-N 2.9Å; A2-Y5 PolarHBondContact O-N 2.99Å; A2-V6 WeakPolarHBondContact O-CG2 3.23Å; A2-V6 PolarHBondContact O-N 2.88Å; A2-F36 HydrophobicContact CB-CE1 4.1Å; A2-F36 HydrophobicContact CB-CZ 4.12Å
3	V	58.8	Low	65	Low	11 Å²	11	59.3 Å²	59.3	7%	0.067	30%	0.299	C	S	.	.	H	α-helix	trans	-62.7	-36.8	179.6	168.5	0	0	0	0	112.9	M1 V6 L7 L31 F36 K40 V44	M1-V3 PolarHBondContact O-N 2.6Å; M1-V3 VanDerWaalsContact O-N 3.16Å; V3-V6 PolarHBondContact O-N 2.66Å; V3-L7 HydrophobicContact CG1-CD1 4.05Å; V3-L7 WeakPolarHBondContact O-CG 3.47Å; V3-L7 PolarHBondContact O-N 3.12Å; V3-L7 VanDerWaalsContact O-N 3.1Å; V3-L31 HydrophobicContact CB-CD2 4.18Å; V3-L31 HydrophobicContact CG1-CD2 3.47Å; V3-L31 VanDerWaalsContact CG1-CD2 3.47Å; V3-L31 HydrophobicContact CG2-CD2 3.63Å; V3-F36 HydrophobicContact CG2-CB 4.28Å; V3-F36 HydrophobicContact CG2-CD1 3.77Å; V3-F36 HydrophobicContact CG2-CD2 4.28Å; V3-F36 HydrophobicContact CG2-CE1 4.13Å; V3-F36 HydrophobicContact CG2-CG 3.85Å; V3-K40 HydrophobicContact CG2-CB 4.21Å; V3-K40 HydrophobicContact CG2-CD 3.54Å; V3-V44 HydrophobicContact CB-CG2 4.44Å; V3-V44 HydrophobicContact CG1-CG2 3.26Å
4	M	63	Low	65.8	Low	29 Å²	29	55.8 Å²	55.8	14%	0.143	28%	0.282	C	S	.	.	H	α-helix	trans	-64.8	-50.6	-178.5	-63.6	-175.4	174.8	0	0	110.4	M1 A2 V6 L7 E8 L47 Y48 K68	M1-M4 WeakPolarHBondContact O-CB 3.5Å; M1-M4 PolarHBondContact O-N 2.84Å; A2-M4 VanDerWaalsContact C-N 3.31Å; A2-M4 PolarHBondContact O-N 2.9Å; M4-V6 VanDerWaalsContact C-N 3.27Å; M4-V6 PolarHBondContact O-N 3.35Å; M4-L7 CarbonylContact O-C 3.6Å; M4-L7 PolarHBondContact O-N 3.29Å; M4-L7 VanDerWaalsContact O-N 3.12Å; M4-E8 WeakPolarHBondContact O-CG 3.45Å; M4-E8 PolarHBondContact O-N 2.79Å; M4-L47 HydrophobicContact CE-CB 4.11Å; M4-L47 HydrophobicContact CE-CD1 3.15Å; M4-L47 HydrophobicContact CE-CG 4.14Å; M4-Y48 HydrophobicContact CB-CE2 4.33Å; M4-Y48 WeakPolarHBondContact CB-OH 3.48Å; M4-Y48 HydrophobicContact CE-CE2 4.02Å; M4-Y48 HydrophobicContact CG-CE2 3.76Å; M4-Y48 HydrophobicContact SD-CE2 3.95Å; M4-K68 PolarHBondContact SD-NZ 3.29Å
5	Y	62	Low	66.7	Low	128 Å²	128	52.8 Å²	52.8	50%	0.502	27%	0.267	S	S	.	.	H	α-helix	trans	-58.9	-37.2	177.3	-74.3	-74.4	0	0	0	113.2	M1 A2 E8 R9	M1-Y5 HydrophobicContact CB-CE2 4.33Å; M1-Y5 HydrophobicContact CG-CE2 4.17Å; M1-Y5 WeakPolarHBondContact O-CD2 3.34Å; M1-Y5 HydrophobicContact SD-CE2 4.44Å; A2-Y5 PolarHBondContact O-N 2.99Å; Y5-E8 VanDerWaalsContact CD1-OE2 3.31Å; Y5-E8 WeakPolarHBondContact CD1-OE2 3.32Å; Y5-E8 PolarHBondContact O-N 3.38Å; Y5-R9 PolarHBondContact O-N 3.36Å
6	V	64.3	Low	67.2	Low	7 Å²	7	60.3 Å²	60.3	4%	0.042	30%	0.297	C	S	.	.	H	α-helix	trans	-65.6	-45.2	176.9	169.8	0	0	0	0	110.5	A2 V3 M4 E8 R9 E10 F34 F36 F109	A2-V6 WeakPolarHBondContact O-CG2 3.23Å; A2-V6 PolarHBondContact O-N 2.88Å; V3-V6 PolarHBondContact O-N 2.66Å; M4-V6 VanDerWaalsContact C-N 3.27Å; M4-V6 PolarHBondContact O-N 3.35Å; V6-E8 PolarHBondContact O-N 3.46Å; V6-R9 PolarHBondContact O-N 3.21Å; V6-E10 HydrophobicContact CG1-CG 4.45Å; V6-E10 WeakPolarHBondContact O-CB 3.44Å; V6-E10 WeakPolarHBondContact O-CG 3.36Å; V6-E10 PolarHBondContact O-N 2.84Å; V6-F34 HydrophobicContact CG1-CB 4.49Å; V6-F34 HydrophobicContact CG1-CD1 4.43Å; V6-F34 HydrophobicContact CG1-CD2 3.26Å; V6-F34 HydrophobicContact CG1-CE2 3.42Å; V6-F34 VanDerWaalsContact CG1-CE2 3.42Å; V6-F34 HydrophobicContact CG1-CG 3.82Å; V6-F34 HydrophobicContact CG1-CZ 4.07Å; V6-F36 HydrophobicContact CG2-CE2 3.97Å; V6-F36 HydrophobicContact CG2-CZ 4.34Å; V6-F109 HydrophobicContact CG2-CB 3.92Å; V6-F109 HydrophobicContact CG2-CD1 4.37Å; V6-F109 HydrophobicContact CG2-CD2 3.79Å; V6-F109 HydrophobicContact CG2-CE2 4.5Å; V6-F109 HydrophobicContact CG2-CG 3.71Å
7	L	67.5	Low	67.8	Low	1 Å²	1	62.1 Å²	62.1	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-65.2	-29.6	174.1	-67.7	168.4	0	0	0	112.1	V3 M4 F11 V14 L22 I27 C30 V44 F61	V3-L7 HydrophobicContact CG1-CD1 4.05Å; V3-L7 WeakPolarHBondContact O-CG 3.47Å; V3-L7 PolarHBondContact O-N 3.12Å; V3-L7 VanDerWaalsContact O-N 3.1Å; M4-L7 CarbonylContact O-C 3.6Å; M4-L7 PolarHBondContact O-N 3.29Å; M4-L7 VanDerWaalsContact O-N 3.12Å; L7-F11 VanDerWaalsContact O-CA 3.22Å; L7-F11 WeakPolarHBondContact O-CA 3.38Å; L7-F11 VanDerWaalsContact O-CB 3.27Å; L7-F11 WeakPolarHBondContact O-CB 3.27Å; L7-F11 PolarHBondContact O-N 3.39Å; L7-V14 HydrophobicContact CD2-CG1 4.47Å; L7-L22 HydrophobicContact CD2-CD1 4.09Å; L7-I27 HydrophobicContact CD1-CG2 4.13Å; L7-I27 HydrophobicContact CD2-CG1 4.43Å; L7-I27 HydrophobicContact CD2-CG2 4.28Å; L7-C30 HydrophobicContact CD2-CB 4.03Å; L7-V44 HydrophobicContact CD1-CB 4.02Å; L7-V44 HydrophobicContact CD1-CG1 3.21Å; L7-V44 HydrophobicContact CD1-CG2 3.66Å; L7-F61 HydrophobicContact CB-CE2 4.03Å; L7-F61 HydrophobicContact CB-CZ 4.12Å
8	E	65.8	Low	68.3	Low	59 Å²	59	64.2 Å²	64.2	28%	0.276	33%	0.33	S	S	.	.	H	α-helix	trans	-68.3	-44.5	179.6	-73.2	171.9	167.5	0	0	111.6	M4 Y5 V6 F61 T65	M4-E8 WeakPolarHBondContact O-CG 3.45Å; M4-E8 PolarHBondContact O-N 2.79Å; Y5-E8 VanDerWaalsContact CD1-OE2 3.31Å; Y5-E8 WeakPolarHBondContact CD1-OE2 3.32Å; Y5-E8 PolarHBondContact O-N 3.38Å; V6-E8 PolarHBondContact O-N 3.46Å; E8-F61 HydrophobicContact CB-CE1 3.73Å; E8-F61 HydrophobicContact CB-CZ 3.7Å; E8-F61 HydrophobicContact CG-CD1 4.49Å; E8-F61 HydrophobicContact CG-CE1 3.25Å; E8-F61 HydrophobicContact CG-CE2 4.22Å; E8-F61 HydrophobicContact CG-CZ 3.08Å; E8-F61 VanDerWaalsContact N-CZ 3.35Å; E8-T65 WeakPolarHBondContact OE1-CB 3.49Å; E8-T65 WeakPolarHBondContact OE1-CG2 3.31Å; E8-T65 PolarHBondContact OE1-OG1 2.99Å
9	R	65.4	Low	68.9	Low	98 Å²	98	64.8 Å²	64.8	37%	0.37	33%	0.334	S	S	.	.	H	α-helix	trans	-80.1	-34.3	-177.5	-163.6	-168.8	-171.4	-131.1	10.4	112.5	Y5 V6	Y5-R9 PolarHBondContact O-N 3.36Å; V6-R9 PolarHBondContact O-N 3.21Å
10	E	70.5	Confident	69.4	Low	30 Å²	30	62.9 Å²	62.9	14%	0.14	33%	0.33	C	S	.	.	H	α-helix	trans	-101.2	10.7	-176	-57.2	-70.1	140.2	0	0	111.5	V6 D12 S13 V14 F34	V6-E10 HydrophobicContact CG1-CG 4.45Å; V6-E10 WeakPolarHBondContact O-CB 3.44Å; V6-E10 WeakPolarHBondContact O-CG 3.36Å; V6-E10 PolarHBondContact O-N 2.84Å; E10-D12 PolarHBondContact O-N 2.91Å; E10-S13 CarbonylContact O-C 3.57Å; E10-S13 WeakPolarHBondContact O-CA 3.27Å; E10-S13 WeakPolarHBondContact O-CB 3.45Å; E10-S13 PolarHBondContact O-N 3.43Å; E10-S13 WeakPolarHBondContact OE2-CB 3.17Å; E10-S13 PolarHBondContact OE2-OG 2.77Å; E10-V14 HydrophobicContact CB-CG2 3.82Å; E10-V14 VanDerWaalsContact O-CB 3.3Å; E10-V14 WeakPolarHBondContact O-CB 3.35Å; E10-V14 WeakPolarHBondContact O-CG2 3.46Å; E10-V14 PolarHBondContact O-N 3.46Å; E10-F34 HydrophobicContact CB-CE2 4.37Å; E10-F34 HydrophobicContact CG-CE2 3.86Å; E10-F34 HydrophobicContact CG-CZ 3.64Å
11	F	71.7	Confident	70.1	Confident	7 Å²	7	62.9 Å²	62.9	3%	0.031	33%	0.328	C	S	.	.	H	α-helix	trans	-47.7	-51.6	179.8	-170	-79.1	0	0	0	110.3	L7 S13 V14 D15 L22 K58 F61	L7-F11 VanDerWaalsContact O-CA 3.22Å; L7-F11 WeakPolarHBondContact O-CA 3.38Å; L7-F11 VanDerWaalsContact O-CB 3.27Å; L7-F11 WeakPolarHBondContact O-CB 3.27Å; L7-F11 PolarHBondContact O-N 3.39Å; F11-S13 VanDerWaalsContact C-N 3.32Å; F11-S13 PolarHBondContact O-N 3.19Å; F11-V14 PolarHBondContact O-N 3.39Å; F11-D15 VanDerWaalsContact O-CB 3.24Å; F11-D15 WeakPolarHBondContact O-CB 3.27Å; F11-D15 PolarHBondContact O-N 3.06Å; F11-L22 HydrophobicContact CD2-CD1 3.46Å; F11-L22 VanDerWaalsContact CD2-CD1 3.46Å; F11-L22 HydrophobicContact CD2-CD2 4.35Å; F11-L22 HydrophobicContact CD2-CG 3.75Å; F11-L22 HydrophobicContact CE1-CD2 4.42Å; F11-L22 HydrophobicContact CE1-CG 4.41Å; F11-L22 HydrophobicContact CE2-CD1 3.63Å; F11-L22 HydrophobicContact CE2-CD2 4.27Å; F11-L22 HydrophobicContact CE2-CG 3.46Å; F11-L22 VanDerWaalsContact CE2-CG 3.46Å; F11-L22 HydrophobicContact CG-CD1 4.17Å; F11-L22 HydrophobicContact CG-CD2 4.46Å; F11-L22 HydrophobicContact CG-CG 4.34Å; F11-L22 HydrophobicContact CZ-CD1 4.44Å; F11-L22 HydrophobicContact CZ-CD2 4.29Å; F11-L22 HydrophobicContact CZ-CG 3.81Å; F11-K58 HydrophobicContact CE1-CB 3.94Å; F11-K58 HydrophobicContact CE1-CD 4.37Å; F11-K58 HydrophobicContact CE1-CG 4.26Å; F11-K58 HydrophobicContact CE2-CB 4.49Å; F11-K58 HydrophobicContact CZ-CB 3.79Å; F11-K58 HydrophobicContact CZ-CG 4.4Å; F11-F61 HydrophobicContact CD2-CB 4.39Å; F11-F61 AromaticContact CD2-CD1 3.97Å; F11-F61 HydrophobicContact CD2-CD1 3.97Å; F11-F61 HydrophobicContact CD2-CD2 4.33Å; F11-F61 HydrophobicContact CD2-CE1 4.26Å; F11-F61 AromaticContact CD2-CG 3.96Å; F11-F61 HydrophobicContact CD2-CG 3.96Å; F11-F61 HydrophobicContact CE2-CB 3.99Å; F11-F61 HydrophobicContact CE2-CD1 4.39Å; F11-F61 HydrophobicContact CE2-CD2 4.44Å; F11-F61 HydrophobicContact CE2-CG 4.02Å
12	D	71.7	Confident	71.6	Confident	113 Å²	113	54.3 Å²	54.3	60%	0.604	29%	0.286	S	S	*	.	H	α-helix	trans	-69.7	-25.6	179.5	-57	-36.9	0	0	0	113	E10 K58	E10-D12 PolarHBondContact O-N 2.91Å; D12-K58 IonicContact OD1-NZ 2.6Å; D12-K58 PolarHBondContact OD1-NZ 3.12Å
13	S	75.1	Confident	73	Confident	63 Å²	63	54.1 Å²	54.1	44%	0.441	28%	0.281	S	S	.	.	H	α-helix	trans	-79.5	-24.3	174	-68.3	0	0	0	0	113	E10 F11	E10-S13 CarbonylContact O-C 3.57Å; E10-S13 WeakPolarHBondContact O-CA 3.27Å; E10-S13 WeakPolarHBondContact O-CB 3.45Å; E10-S13 PolarHBondContact O-N 3.43Å; E10-S13 WeakPolarHBondContact OE2-CB 3.17Å; E10-S13 PolarHBondContact OE2-OG 2.77Å; F11-S13 VanDerWaalsContact C-N 3.32Å; F11-S13 PolarHBondContact O-N 3.19Å
14	V	75.6	Confident	74.3	Confident	10 Å²	10	59.7 Å²	59.7	6%	0.061	30%	0.301	C	S	.	.	H	α-helix	trans	-95.3	-34.2	-173	177.1	0	0	0	0	110.5	L7 E10 F11 K16 L22 E26 C30	L7-V14 HydrophobicContact CD2-CG1 4.47Å; E10-V14 HydrophobicContact CB-CG2 3.82Å; E10-V14 VanDerWaalsContact O-CB 3.3Å; E10-V14 WeakPolarHBondContact O-CB 3.35Å; E10-V14 WeakPolarHBondContact O-CG2 3.46Å; E10-V14 PolarHBondContact O-N 3.46Å; F11-V14 PolarHBondContact O-N 3.39Å; V14-K16 PolarHBondContact O-N 2.85Å; V14-L22 HydrophobicContact CB-CD2 3.98Å; V14-L22 HydrophobicContact CG1-CD1 4.41Å; V14-L22 HydrophobicContact CG1-CD2 3.82Å; V14-E26 HydrophobicContact CG1-CB 3.88Å; V14-E26 VanDerWaalsContact CG1-O 3.29Å; V14-E26 WeakPolarHBondContact CG1-O 3.12Å; V14-E26 WeakPolarHBondContact O-CB 3.41Å; V14-E26 WeakPolarHBondContact O-CG 3.32Å; V14-C30 HydrophobicContact CB-CB 4.34Å; V14-C30 HydrophobicContact CG1-CB 3.69Å; V14-C30 HydrophobicContact CG2-CB 3.55Å; V14-C30 WeakPolarHBondContact CG2-SG 3.39Å
15	D	79.7	Confident	75.5	Confident	11 Å²	11	61.9 Å²	61.9	6%	0.059	32%	0.324	C	S	.	.			trans	-65.5	76.5	168	-176.4	1.8	0	0	0	110	F11 N17 S18 D19 G20 L22	F11-D15 VanDerWaalsContact O-CB 3.24Å; F11-D15 WeakPolarHBondContact O-CB 3.27Å; F11-D15 PolarHBondContact O-N 3.06Å; D15-N17 VanDerWaalsContact C-N 3.26Å; D15-N17 PolarHBondContact O-N 3.31Å; D15-N17 PolarHBondContact OD1-OD1 2.88Å; D15-S18 VanDerWaalsContact CG-CA 3.47Å; D15-S18 PolarHBondContact O-N 2.89Å; D15-S18 VanDerWaalsContact O-N 3.14Å; D15-S18 WeakPolarHBondContact OD1-CA 3.43Å; D15-S18 PolarHBondContact OD1-N 3.3Å; D15-S18 WeakPolarHBondContact OD2-CA 3.09Å; D15-D19 PolarHBondContact OD1-N 2.83Å; D15-D19 PolarHBondContact OD2-N 2.87Å; D15-G20 VanDerWaalsContact OD2-CA 3.22Å; D15-G20 WeakPolarHBondContact OD2-CA 2.86Å; D15-G20 PolarHBondContact OD2-N 3.22Å; D15-L22 HydrophobicContact CB-CD2 3.83Å
16	K	75	Confident	76.6	Confident	172 Å²	172	56.6 Å²	56.6	75%	0.748	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-29.8	-172	-77.9	-175.6	179.5	178.4	0	111.7	V14 S18 E26	V14-K16 PolarHBondContact O-N 2.85Å; K16-S18 VanDerWaalsContact C-N 3.34Å; K16-E26 PolarHBondContact N-OE1 3.03Å
17	N	77.6	Confident	77.5	Confident	92 Å²	92	56.3 Å²	56.3	49%	0.492	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-3.8	177.4	65.6	-2.1	0	0	0	112.3	D15 D19	D15-N17 VanDerWaalsContact C-N 3.26Å; D15-N17 PolarHBondContact O-N 3.31Å; D15-N17 PolarHBondContact OD1-OD1 2.88Å; N17-D19 VanDerWaalsContact CG-CG 3.45Å; N17-D19 PolarHBondContact ND2-OD2 2.99Å; N17-D19 PolarHBondContact O-N 2.72Å; N17-D19 WeakPolarHBondContact OD1-CB 3.24Å; N17-D19 PolarHBondContact OD1-N 2.99Å; N17-D19 PolarHBondContact OD1-OD1 2.76Å
18	S	76.3	Confident	78.4	Confident	100 Å²	100	57.7 Å²	57.7	70%	0.699	31%	0.309	S	S	*	.			trans	52.8	33.9	-178.8	-57.4	0	0	0	0	112	D15 K16 G20	D15-S18 VanDerWaalsContact CG-CA 3.47Å; D15-S18 PolarHBondContact O-N 2.89Å; D15-S18 VanDerWaalsContact O-N 3.14Å; D15-S18 WeakPolarHBondContact OD1-CA 3.43Å; D15-S18 PolarHBondContact OD1-N 3.3Å; D15-S18 WeakPolarHBondContact OD2-CA 3.09Å; K16-S18 VanDerWaalsContact C-N 3.34Å; S18-G20 VanDerWaalsContact C-N 3.29Å
19	D	80.4	Confident	79.3	Confident	76 Å²	76	56.2 Å²	56.2	41%	0.406	31%	0.309	S	S	.	.	S	Bend	trans	-84.8	-7.8	-179.4	77.9	4.3	0	0	0	112.2	D15 N17 F21	D15-D19 PolarHBondContact OD1-N 2.83Å; D15-D19 PolarHBondContact OD2-N 2.87Å; N17-D19 VanDerWaalsContact CG-CG 3.45Å; N17-D19 PolarHBondContact ND2-OD2 2.99Å; N17-D19 PolarHBondContact O-N 2.72Å; N17-D19 WeakPolarHBondContact OD1-CB 3.24Å; N17-D19 PolarHBondContact OD1-N 2.99Å; N17-D19 PolarHBondContact OD1-OD1 2.76Å; D19-F21 HydrophobicContact CB-CD2 4.39Å; D19-F21 WeakPolarHBondContact O-CD2 3.26Å; D19-F21 WeakPolarHBondContact O-CE2 3.47Å; D19-F21 VanDerWaalsContact OD1-CA 3.31Å; D19-F21 WeakPolarHBondContact OD1-CA 3.43Å; D19-F21 VanDerWaalsContact OD1-CB 3.24Å; D19-F21 WeakPolarHBondContact OD1-CB 3.12Å; D19-F21 WeakPolarHBondContact OD1-CD2 3.04Å; D19-F21 PolarHBondContact OD1-N 2.7Å; D19-F21 VanDerWaalsContact OD1-O 3.09Å
20	G	78.1	Confident	80	Confident	25 Å²	25	51.8 Å²	51.8	26%	0.258	29%	0.293	S	S	.	.	S	Bend	trans	85.9	8.1	-177.9	0	0	0	0	0	114.1	D15 S18 K58	D15-G20 VanDerWaalsContact OD2-CA 3.22Å; D15-G20 WeakPolarHBondContact OD2-CA 2.86Å; D15-G20 PolarHBondContact OD2-N 3.22Å; S18-G20 VanDerWaalsContact C-N 3.29Å; G20-K58 PolarHBondContact O-N 3.46Å
21	F	84.1	Confident	80.5	Confident	63 Å²	63	50.4 Å²	50.4	28%	0.276	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	139	-179	-54.9	-97.6	0	0	0	110.9	D19 K55 I56	D19-F21 HydrophobicContact CB-CD2 4.39Å; D19-F21 WeakPolarHBondContact O-CD2 3.26Å; D19-F21 WeakPolarHBondContact O-CE2 3.47Å; D19-F21 VanDerWaalsContact OD1-CA 3.31Å; D19-F21 WeakPolarHBondContact OD1-CA 3.43Å; D19-F21 VanDerWaalsContact OD1-CB 3.24Å; D19-F21 WeakPolarHBondContact OD1-CB 3.12Å; D19-F21 WeakPolarHBondContact OD1-CD2 3.04Å; D19-F21 PolarHBondContact OD1-N 2.7Å; D19-F21 VanDerWaalsContact OD1-O 3.09Å; F21-K55 HydrophobicContact CB-CB 4.28Å; F21-K55 HydrophobicContact CB-CD 3.83Å; F21-K55 HydrophobicContact CB-CG 4.35Å; F21-K55 HydrophobicContact CD1-CD 3.62Å; F21-K55 HydrophobicContact CD1-CG 4.11Å; F21-K55 HydrophobicContact CE1-CD 4.37Å; F21-K55 HydrophobicContact CG-CD 3.81Å; F21-I56 CarbonylContact C-O 3.51Å; F21-I56 WeakPolarHBondContact CA-O 3.21Å
22	L	84.4	Confident	81	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	104.5	169.5	-59.4	-173.9	0	0	0	109.6	L7 F11 V14 D15 I27 K55 I56	L7-L22 HydrophobicContact CD2-CD1 4.09Å; F11-L22 HydrophobicContact CD2-CD1 3.46Å; F11-L22 VanDerWaalsContact CD2-CD1 3.46Å; F11-L22 HydrophobicContact CD2-CD2 4.35Å; F11-L22 HydrophobicContact CD2-CG 3.75Å; F11-L22 HydrophobicContact CE1-CD2 4.42Å; F11-L22 HydrophobicContact CE1-CG 4.41Å; F11-L22 HydrophobicContact CE2-CD1 3.63Å; F11-L22 HydrophobicContact CE2-CD2 4.27Å; F11-L22 HydrophobicContact CE2-CG 3.46Å; F11-L22 VanDerWaalsContact CE2-CG 3.46Å; F11-L22 HydrophobicContact CG-CD1 4.17Å; F11-L22 HydrophobicContact CG-CD2 4.46Å; F11-L22 HydrophobicContact CG-CG 4.34Å; F11-L22 HydrophobicContact CZ-CD1 4.44Å; F11-L22 HydrophobicContact CZ-CD2 4.29Å; F11-L22 HydrophobicContact CZ-CG 3.81Å; V14-L22 HydrophobicContact CB-CD2 3.98Å; V14-L22 HydrophobicContact CG1-CD1 4.41Å; V14-L22 HydrophobicContact CG1-CD2 3.82Å; D15-L22 HydrophobicContact CB-CD2 3.83Å; L22-I27 HydrophobicContact CB-CD1 4.2Å; L22-I27 HydrophobicContact CB-CG1 3.86Å; L22-K55 CarbonylContact O-C 3.51Å; L22-K55 WeakPolarHBondContact O-CA 3.32Å; L22-I56 HydrophobicContact CB-CB 4.36Å; L22-I56 PolarHBondContact N-O 2.9Å; L22-I56 PolarHBondContact O-N 3.41Å
23	S	86.5	Confident	81.3	Confident	41 Å²	41	59.2 Å²	59.2	29%	0.287	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	157.3	170.4	67.9	0	0	0	0	111.1	A25 E26 I27	S23-A25 PolarHBondContact O-N 2.97Å; S23-A25 VanDerWaalsContact O-N 3.11Å; S23-E26 VanDerWaalsContact CB-OE2 3.3Å; S23-E26 WeakPolarHBondContact CB-OE2 3.31Å; S23-E26 PolarHBondContact N-OE2 3.11Å; S23-E26 PolarHBondContact O-N 2.99Å; S23-E26 WeakPolarHBondContact OG-CG 3.13Å; S23-E26 PolarHBondContact OG-N 2.78Å; S23-E26 PolarHBondContact OG-OE2 2.8Å; S23-I27 WeakPolarHBondContact O-CG1 3.34Å; S23-I27 PolarHBondContact O-N 3.11Å
24	R	86.7	Confident	81	Confident	129 Å²	129	58 Å²	58	49%	0.487	30%	0.304	S	S	.	.	H	α-helix	trans	-49.7	-38.9	172.7	-179.7	176.1	-176	-108.7	8.2	113	I28 E42 I45	R24-I28 HydrophobicContact CG-CD1 3.86Å; R24-I28 HydrophobicContact CG-CG1 4.48Å; R24-I28 WeakPolarHBondContact O-CB 3.44Å; R24-I28 VanDerWaalsContact O-CG1 3.23Å; R24-I28 WeakPolarHBondContact O-CG1 3Å; R24-I28 PolarHBondContact O-N 2.85Å; R24-E42 IonicContact NH2-OE1 3.09Å; R24-E42 PolarHBondContact NH2-OE1 2.81Å; R24-E42 VanDerWaalsContact NH2-OE1 3.09Å; R24-I45 HydrophobicContact CB-CD1 3.69Å; R24-I45 HydrophobicContact CG-CD1 3.74Å
25	A	86.6	Confident	81	Confident	74 Å²	74	60.9 Å²	60.9	61%	0.612	34%	0.335	S	S	*	.	H	α-helix	trans	-67	-38.4	-179.7	0	0	0	0	0	112	S23 G29	S23-A25 PolarHBondContact O-N 2.97Å; S23-A25 VanDerWaalsContact O-N 3.11Å; A25-G29 PolarHBondContact O-N 3.42Å
26	E	85.9	Confident	80.8	Confident	18 Å²	18	62 Å²	62	8%	0.084	34%	0.34	C	S	.	.	H	α-helix	trans	-70.4	-42.1	177.4	-72.5	165.1	133.9	0	0	111.7	V14 K16 S23 I28 G29 C30	V14-E26 HydrophobicContact CG1-CB 3.88Å; V14-E26 VanDerWaalsContact CG1-O 3.29Å; V14-E26 WeakPolarHBondContact CG1-O 3.12Å; V14-E26 WeakPolarHBondContact O-CB 3.41Å; V14-E26 WeakPolarHBondContact O-CG 3.32Å; K16-E26 PolarHBondContact N-OE1 3.03Å; S23-E26 VanDerWaalsContact CB-OE2 3.3Å; S23-E26 WeakPolarHBondContact CB-OE2 3.31Å; S23-E26 PolarHBondContact N-OE2 3.11Å; S23-E26 PolarHBondContact O-N 2.99Å; S23-E26 WeakPolarHBondContact OG-CG 3.13Å; S23-E26 PolarHBondContact OG-N 2.78Å; S23-E26 PolarHBondContact OG-OE2 2.8Å; E26-I28 VanDerWaalsContact C-N 3.35Å; E26-I28 PolarHBondContact O-N 3.37Å; E26-G29 PolarHBondContact O-N 2.76Å; E26-C30 WeakPolarHBondContact O-CB 3.2Å; E26-C30 PolarHBondContact O-N 3.36Å
27	I	83.4	Confident	80.9	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.6	-45.6	174.2	-60.7	165.8	0	0	0	110.3	L7 L22 S23 C30 L31 A41 V44 I45 I56	L7-I27 HydrophobicContact CD1-CG2 4.13Å; L7-I27 HydrophobicContact CD2-CG1 4.43Å; L7-I27 HydrophobicContact CD2-CG2 4.28Å; L22-I27 HydrophobicContact CB-CD1 4.2Å; L22-I27 HydrophobicContact CB-CG1 3.86Å; S23-I27 WeakPolarHBondContact O-CG1 3.34Å; S23-I27 PolarHBondContact O-N 3.11Å; I27-C30 WeakPolarHBondContact O-CB 3.41Å; I27-C30 PolarHBondContact O-N 3.4Å; I27-L31 HydrophobicContact CG2-CD1 4.12Å; I27-L31 HydrophobicContact CG2-CG 4.48Å; I27-L31 VanDerWaalsContact O-CG 3.25Å; I27-L31 WeakPolarHBondContact O-CG 3.17Å; I27-L31 PolarHBondContact O-N 3.35Å; I27-A41 HydrophobicContact CB-CB 4.44Å; I27-A41 HydrophobicContact CG2-CB 3.78Å; I27-V44 HydrophobicContact CD1-CG1 4.48Å; I27-V44 HydrophobicContact CG2-CB 4.4Å; I27-V44 HydrophobicContact CG2-CG1 4.43Å; I27-I45 HydrophobicContact CD1-CD1 4.15Å; I27-I45 HydrophobicContact CD1-CG1 3.6Å; I27-I56 HydrophobicContact CD1-CD1 3.46Å; I27-I56 VanDerWaalsContact CD1-CD1 3.46Å; I27-I56 HydrophobicContact CD1-CG1 4.12Å
28	I	85.7	Confident	81.1	Confident	31 Å²	31	58.2 Å²	58.2	16%	0.159	32%	0.321	C	S	.	.	H	α-helix	trans	-60.9	-46.6	175.8	-70.7	169.6	0	0	0	110.4	R24 E26 C30 L31 E32 K38 A41	R24-I28 HydrophobicContact CG-CD1 3.86Å; R24-I28 HydrophobicContact CG-CG1 4.48Å; R24-I28 WeakPolarHBondContact O-CB 3.44Å; R24-I28 VanDerWaalsContact O-CG1 3.23Å; R24-I28 WeakPolarHBondContact O-CG1 3Å; R24-I28 PolarHBondContact O-N 2.85Å; E26-I28 VanDerWaalsContact C-N 3.35Å; E26-I28 PolarHBondContact O-N 3.37Å; I28-C30 VanDerWaalsContact C-N 3.27Å; I28-C30 PolarHBondContact O-N 2.96Å; I28-L31 WeakPolarHBondContact O-CB 3.36Å; I28-L31 PolarHBondContact O-N 2.86Å; I28-L31 VanDerWaalsContact O-N 3.15Å; I28-E32 HydrophobicContact CG2-CG 4.29Å; I28-E32 WeakPolarHBondContact O-CG 3.48Å; I28-E32 PolarHBondContact O-N 3.39Å; I28-K38 HydrophobicContact CG2-CB 4.05Å; I28-A41 HydrophobicContact CD1-CB 4.42Å; I28-A41 HydrophobicContact CG1-CB 3.56Å
29	G	84.4	Confident	81.3	Confident	27 Å²	27	62 Å²	62	28%	0.278	32%	0.32	S	S	.	.	H	α-helix	trans	-60.8	-36.4	177.9	0	0	0	0	0	112.9	A25 E26 R33	A25-G29 PolarHBondContact O-N 3.42Å; E26-G29 PolarHBondContact O-N 2.76Å; G29-R33 VanDerWaalsContact O-CB 3.22Å; G29-R33 WeakPolarHBondContact O-CB 3.24Å; G29-R33 PolarHBondContact O-N 2.83Å
30	C	81.5	Confident	81.2	Confident	5 Å²	5	62.1 Å²	62.1	3%	0.034	32%	0.317	C	S	.	.	H	α-helix	trans	-62.6	-52.5	171.6	-176.4	0	0	0	0	111.1	L7 V14 E26 I27 I28 E32 R33 F34	L7-C30 HydrophobicContact CD2-CB 4.03Å; V14-C30 HydrophobicContact CB-CB 4.34Å; V14-C30 HydrophobicContact CG1-CB 3.69Å; V14-C30 HydrophobicContact CG2-CB 3.55Å; V14-C30 WeakPolarHBondContact CG2-SG 3.39Å; E26-C30 WeakPolarHBondContact O-CB 3.2Å; E26-C30 PolarHBondContact O-N 3.36Å; I27-C30 WeakPolarHBondContact O-CB 3.41Å; I27-C30 PolarHBondContact O-N 3.4Å; I28-C30 VanDerWaalsContact C-N 3.27Å; I28-C30 PolarHBondContact O-N 2.96Å; C30-E32 VanDerWaalsContact C-N 3.33Å; C30-E32 PolarHBondContact O-N 2.75Å; C30-R33 WeakPolarHBondContact O-CB 3.32Å; C30-R33 PolarHBondContact O-N 3.44Å; C30-R33 VanDerWaalsContact O-N 3.16Å; C30-F34 WeakPolarHBondContact O-CD2 3.21Å; C30-F34 PolarHBondContact O-N 2.82Å; C30-F34 VanDerWaalsContact SG-CD2 3.57Å
31	L	80.6	Confident	81.4	Confident	2 Å²	2	61 Å²	61	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-57.1	-47	179.6	-69.5	169.4	0	0	0	111.6	V3 I27 I28 R33 F34 G35 F36 K40 A41	V3-L31 HydrophobicContact CB-CD2 4.18Å; V3-L31 HydrophobicContact CG1-CD2 3.47Å; V3-L31 VanDerWaalsContact CG1-CD2 3.47Å; V3-L31 HydrophobicContact CG2-CD2 3.63Å; I27-L31 HydrophobicContact CG2-CD1 4.12Å; I27-L31 HydrophobicContact CG2-CG 4.48Å; I27-L31 VanDerWaalsContact O-CG 3.25Å; I27-L31 WeakPolarHBondContact O-CG 3.17Å; I27-L31 PolarHBondContact O-N 3.35Å; I28-L31 WeakPolarHBondContact O-CB 3.36Å; I28-L31 PolarHBondContact O-N 2.86Å; I28-L31 VanDerWaalsContact O-N 3.15Å; L31-R33 PolarHBondContact O-N 3.15Å; L31-F34 CarbonylContact O-C 2.84Å; L31-F34 PolarHBondContact O-N 2.96Å; L31-G35 PolarHBondContact O-N 3.37Å; L31-F36 HydrophobicContact CB-CB 4.02Å; L31-F36 HydrophobicContact CD2-CB 3.51Å; L31-F36 HydrophobicContact CD2-CD2 4.21Å; L31-F36 HydrophobicContact CD2-CG 4.08Å; L31-F36 HydrophobicContact CG-CB 4.37Å; L31-F36 PolarHBondContact O-N 2.57Å; L31-K40 HydrophobicContact CD1-CB 4.19Å; L31-K40 HydrophobicContact CD2-CB 4.27Å; L31-A41 HydrophobicContact CD1-CB 3.63Å
32	E	81.5	Confident	81.4	Confident	121 Å²	121	63.3 Å²	63.3	57%	0.565	32%	0.317	S	S	*	.	H	α-helix	trans	-63.2	-41.9	178	-70.9	-174.8	127.6	0	0	111.7	I28 C30 F34 G35	I28-E32 HydrophobicContact CG2-CG 4.29Å; I28-E32 WeakPolarHBondContact O-CG 3.48Å; I28-E32 PolarHBondContact O-N 3.39Å; C30-E32 VanDerWaalsContact C-N 3.33Å; C30-E32 PolarHBondContact O-N 2.75Å; E32-F34 PolarHBondContact O-N 3.36Å; E32-G35 PolarHBondContact O-N 2.85Å; E32-G35 VanDerWaalsContact O-N 3.14Å
33	R	77.5	Confident	81.2	Confident	183 Å²	183	68.9 Å²	68.9	69%	0.691	34%	0.343	S	S	*	.	H	α-helix	trans	-60.1	-35.2	176.5	-175.7	177.7	-175.4	-177.9	-0.1	112.6	G29 C30 L31	G29-R33 VanDerWaalsContact O-CB 3.22Å; G29-R33 WeakPolarHBondContact O-CB 3.24Å; G29-R33 PolarHBondContact O-N 2.83Å; C30-R33 WeakPolarHBondContact O-CB 3.32Å; C30-R33 PolarHBondContact O-N 3.44Å; C30-R33 VanDerWaalsContact O-N 3.16Å; L31-R33 PolarHBondContact O-N 3.15Å
34	F	70.5	Confident	80.8	Confident	39 Å²	39	67.1 Å²	67.1	17%	0.171	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	4.3	179.9	-70.4	-67	0	0	0	113.9	V6 E10 C30 L31 E32 F36 F109	V6-F34 HydrophobicContact CG1-CB 4.49Å; V6-F34 HydrophobicContact CG1-CD1 4.43Å; V6-F34 HydrophobicContact CG1-CD2 3.26Å; V6-F34 HydrophobicContact CG1-CE2 3.42Å; V6-F34 VanDerWaalsContact CG1-CE2 3.42Å; V6-F34 HydrophobicContact CG1-CG 3.82Å; V6-F34 HydrophobicContact CG1-CZ 4.07Å; E10-F34 HydrophobicContact CB-CE2 4.37Å; E10-F34 HydrophobicContact CG-CE2 3.86Å; E10-F34 HydrophobicContact CG-CZ 3.64Å; C30-F34 WeakPolarHBondContact O-CD2 3.21Å; C30-F34 PolarHBondContact O-N 2.82Å; C30-F34 VanDerWaalsContact SG-CD2 3.57Å; L31-F34 CarbonylContact O-C 2.84Å; L31-F34 PolarHBondContact O-N 2.96Å; E32-F34 PolarHBondContact O-N 3.36Å; F34-F36 VanDerWaalsContact C-N 3.32Å; F34-F36 HydrophobicContact CB-CD2 3.56Å; F34-F36 HydrophobicContact CB-CE2 3.62Å; F34-F36 PolarHBondContact O-N 2.79Å; F34-F109 HydrophobicContact CB-CE1 4.41Å; F34-F109 HydrophobicContact CB-CE2 4.39Å; F34-F109 HydrophobicContact CB-CZ 3.88Å; F34-F109 AromaticContact CD1-CD1 3.87Å; F34-F109 HydrophobicContact CD1-CD1 3.87Å; F34-F109 AromaticContact CD1-CE1 3.15Å; F34-F109 HydrophobicContact CD1-CE1 3.15Å; F34-F109 HydrophobicContact CD1-CE2 4.48Å; F34-F109 AromaticContact CD1-CZ 3.51Å; F34-F109 HydrophobicContact CD1-CZ 3.51Å; F34-F109 HydrophobicContact CE1-CD1 4.02Å; F34-F109 AromaticContact CE1-CE1 3.65Å; F34-F109 HydrophobicContact CE1-CE1 3.65Å; F34-F109 HydrophobicContact CE1-CZ 4.42Å; F34-F109 HydrophobicContact CG-CE1 4.12Å; F34-F109 HydrophobicContact CG-CZ 4.1Å
35	G	75.2	Confident	80.6	Confident	70 Å²	70	62 Å²	62	72%	0.722	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	18.4	178.1	0	0	0	0	0	114.6	L31 E32	L31-G35 PolarHBondContact O-N 3.37Å; E32-G35 PolarHBondContact O-N 2.85Å; E32-G35 VanDerWaalsContact O-N 3.14Å
36	F	75	Confident	80.4	Confident	35 Å²	35	67.2 Å²	67.2	15%	0.154	32%	0.322	C	S	.	.			trans	-84.6	153.7	172.8	-65.2	-73.5	0	0	0	112	A2 V3 V6 L31 F34 K38 F109	A2-F36 HydrophobicContact CB-CE1 4.1Å; A2-F36 HydrophobicContact CB-CZ 4.12Å; V3-F36 HydrophobicContact CG2-CB 4.28Å; V3-F36 HydrophobicContact CG2-CD1 3.77Å; V3-F36 HydrophobicContact CG2-CD2 4.28Å; V3-F36 HydrophobicContact CG2-CE1 4.13Å; V3-F36 HydrophobicContact CG2-CG 3.85Å; V6-F36 HydrophobicContact CG2-CE2 3.97Å; V6-F36 HydrophobicContact CG2-CZ 4.34Å; L31-F36 HydrophobicContact CB-CB 4.02Å; L31-F36 HydrophobicContact CD2-CB 3.51Å; L31-F36 HydrophobicContact CD2-CD2 4.21Å; L31-F36 HydrophobicContact CD2-CG 4.08Å; L31-F36 HydrophobicContact CG-CB 4.37Å; L31-F36 PolarHBondContact O-N 2.57Å; F34-F36 VanDerWaalsContact C-N 3.32Å; F34-F36 HydrophobicContact CB-CD2 3.56Å; F34-F36 HydrophobicContact CB-CE2 3.62Å; F34-F36 PolarHBondContact O-N 2.79Å; F36-K38 PolarHBondContact O-N 2.98Å; F36-F109 HydrophobicContact CE2-CD2 4.08Å; F36-F109 AromaticContact CE2-CE2 3.63Å; F36-F109 HydrophobicContact CE2-CE2 3.63Å; F36-F109 HydrophobicContact CE2-CZ 4.37Å; F36-F109 AromaticContact CZ-CD2 3.83Å; F36-F109 HydrophobicContact CZ-CD2 3.83Å; F36-F109 AromaticContact CZ-CE2 3.57Å; F36-F109 HydrophobicContact CZ-CE2 3.57Å
37	D	76.8	Confident	79.9	Confident	60 Å²	60	70.5 Å²	70.5	32%	0.321	34%	0.339	S	S	.	.			trans	-65.2	123.4	174.1	-167	-40.4	0	0	0	110.9	R39 K40	D37-R39 PolarHBondContact O-N 3.03Å; D37-R39 VanDerWaalsContact OD1-CB 3.25Å; D37-R39 WeakPolarHBondContact OD1-CB 3.39Å; D37-R39 VanDerWaalsContact OD1-CG 3.28Å; D37-R39 WeakPolarHBondContact OD1-CG 3.23Å; D37-R39 PolarHBondContact OD1-N 2.91Å; D37-R39 IonicContact OD1-NE 3.1Å; D37-R39 PolarHBondContact OD1-NE 2.79Å; D37-R39 VanDerWaalsContact OD1-NE 3.1Å; D37-R39 IonicContact OD2-CZ 3.2Å; D37-R39 IonicContact OD2-NE 2.96Å; D37-R39 PolarHBondContact OD2-NE 2.62Å; D37-R39 IonicContact OD2-NH2 2.65Å; D37-R39 PolarHBondContact OD2-NH2 3.26Å; D37-K40 HydrophobicContact CB-CG 4.4Å; D37-K40 VanDerWaalsContact O-CB 3.27Å; D37-K40 WeakPolarHBondContact O-CB 3.49Å; D37-K40 WeakPolarHBondContact O-CG 3.45Å; D37-K40 PolarHBondContact O-N 3.34Å
38	K	81.9	Confident	79.6	Confident	123 Å²	123	70.7 Å²	70.7	54%	0.535	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-24.8	177.3	64.9	-177.3	177.9	-174.2	0	114	I28 F36 K40 A41	I28-K38 HydrophobicContact CG2-CB 4.05Å; F36-K38 PolarHBondContact O-N 2.98Å; K38-K40 PolarHBondContact O-N 2.84Å; K38-A41 WeakPolarHBondContact O-CB 3.43Å; K38-A41 PolarHBondContact O-N 3.26Å
39	R	81.3	Confident	79.6	Confident	179 Å²	179	70 Å²	70	68%	0.675	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.3	174.9	-66.8	178.2	-73.8	-179.3	-1.4	112.4	D37 A41 E42	D37-R39 PolarHBondContact O-N 3.03Å; D37-R39 VanDerWaalsContact OD1-CB 3.25Å; D37-R39 WeakPolarHBondContact OD1-CB 3.39Å; D37-R39 VanDerWaalsContact OD1-CG 3.28Å; D37-R39 WeakPolarHBondContact OD1-CG 3.23Å; D37-R39 PolarHBondContact OD1-N 2.91Å; D37-R39 IonicContact OD1-NE 3.1Å; D37-R39 PolarHBondContact OD1-NE 2.79Å; D37-R39 VanDerWaalsContact OD1-NE 3.1Å; D37-R39 IonicContact OD2-CZ 3.2Å; D37-R39 IonicContact OD2-NE 2.96Å; D37-R39 PolarHBondContact OD2-NE 2.62Å; D37-R39 IonicContact OD2-NH2 2.65Å; D37-R39 PolarHBondContact OD2-NH2 3.26Å; R39-A41 PolarHBondContact O-N 3.16Å; R39-E42 PolarHBondContact O-N 2.88Å
40	K	77.6	Confident	79.4	Confident	80 Å²	80	74 Å²	74	35%	0.348	35%	0.348	S	S	.	.	H	α-helix	trans	-66.4	-18.2	174.6	-62.1	-171.5	178.3	179.8	0	112.7	V3 L31 D37 K38 E42 E43 V44	V3-K40 HydrophobicContact CG2-CB 4.21Å; V3-K40 HydrophobicContact CG2-CD 3.54Å; L31-K40 HydrophobicContact CD1-CB 4.19Å; L31-K40 HydrophobicContact CD2-CB 4.27Å; D37-K40 HydrophobicContact CB-CG 4.4Å; D37-K40 VanDerWaalsContact O-CB 3.27Å; D37-K40 WeakPolarHBondContact O-CB 3.49Å; D37-K40 WeakPolarHBondContact O-CG 3.45Å; D37-K40 PolarHBondContact O-N 3.34Å; K38-K40 PolarHBondContact O-N 2.84Å; K40-E42 PolarHBondContact O-N 2.88Å; K40-E43 WeakPolarHBondContact O-CB 3.42Å; K40-E43 PolarHBondContact O-N 3.46Å; K40-V44 WeakPolarHBondContact O-CG2 3.46Å; K40-V44 PolarHBondContact O-N 3.33Å
41	A	83.3	Confident	79.5	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-59.5	-40.3	175.6	0	0	0	0	0	111.1	I27 I28 L31 K38 R39 E43 V44 I45	I27-A41 HydrophobicContact CB-CB 4.44Å; I27-A41 HydrophobicContact CG2-CB 3.78Å; I28-A41 HydrophobicContact CD1-CB 4.42Å; I28-A41 HydrophobicContact CG1-CB 3.56Å; L31-A41 HydrophobicContact CD1-CB 3.63Å; K38-A41 WeakPolarHBondContact O-CB 3.43Å; K38-A41 PolarHBondContact O-N 3.26Å; R39-A41 PolarHBondContact O-N 3.16Å; A41-E43 VanDerWaalsContact C-N 3.33Å; A41-V44 PolarHBondContact O-N 2.88Å; A41-I45 VanDerWaalsContact O-CG1 3.26Å; A41-I45 WeakPolarHBondContact O-CG1 3.35Å; A41-I45 PolarHBondContact O-N 3.28Å
42	E	82.3	Confident	79.7	Confident	113 Å²	113	86.8 Å²	86.8	53%	0.528	41%	0.408	S	S	.	.	H	α-helix	trans	-68.4	-36.3	179.2	-66.1	179.5	-178.8	0	0	111.4	R24 R39 K40 K46	R24-E42 IonicContact NH2-OE1 3.09Å; R24-E42 PolarHBondContact NH2-OE1 2.81Å; R24-E42 VanDerWaalsContact NH2-OE1 3.09Å; R39-E42 PolarHBondContact O-N 2.88Å; K40-E42 PolarHBondContact O-N 2.88Å; E42-K46 WeakPolarHBondContact O-CB 3.39Å; E42-K46 PolarHBondContact O-N 3.26Å
43	E	80.3	Confident	79.8	Confident	116 Å²	116	84.5 Å²	84.5	54%	0.542	40%	0.399	S	S	.	.	H	α-helix	trans	-64.1	-42.3	172.7	-62	-174.3	93.7	0	0	111.4	K40 A41 L47	K40-E43 WeakPolarHBondContact O-CB 3.42Å; K40-E43 PolarHBondContact O-N 3.46Å; A41-E43 VanDerWaalsContact C-N 3.33Å; E43-L47 VanDerWaalsContact O-CB 3.27Å; E43-L47 WeakPolarHBondContact O-CB 3.26Å; E43-L47 WeakPolarHBondContact O-CD1 3.12Å; E43-L47 WeakPolarHBondContact O-CG 3.23Å; E43-L47 PolarHBondContact O-N 2.71Å; E43-L47 VanDerWaalsContact O-N 3.1Å
44	V	78.4	Confident	80	Confident	4 Å²	4	77.5 Å²	77.5	2%	0.024	38%	0.384	C	S	.	.	H	α-helix	trans	-62.7	-55	176.2	175	0	0	0	0	110.1	V3 L7 I27 K40 A41 K46 L47 Y48 I56	V3-V44 HydrophobicContact CB-CG2 4.44Å; V3-V44 HydrophobicContact CG1-CG2 3.26Å; L7-V44 HydrophobicContact CD1-CB 4.02Å; L7-V44 HydrophobicContact CD1-CG1 3.21Å; L7-V44 HydrophobicContact CD1-CG2 3.66Å; I27-V44 HydrophobicContact CD1-CG1 4.48Å; I27-V44 HydrophobicContact CG2-CB 4.4Å; I27-V44 HydrophobicContact CG2-CG1 4.43Å; K40-V44 WeakPolarHBondContact O-CG2 3.46Å; K40-V44 PolarHBondContact O-N 3.33Å; A41-V44 PolarHBondContact O-N 2.88Å; V44-K46 VanDerWaalsContact C-N 3.31Å; V44-K46 PolarHBondContact O-N 3.12Å; V44-L47 WeakPolarHBondContact O-CA 3.49Å; V44-L47 PolarHBondContact O-N 2.73Å; V44-Y48 HydrophobicContact CG1-CD2 3.82Å; V44-Y48 HydrophobicContact CG1-CE2 4.36Å; V44-Y48 WeakPolarHBondContact O-CB 3.18Å; V44-Y48 VanDerWaalsContact O-CD2 3.28Å; V44-Y48 WeakPolarHBondContact O-CD2 3.07Å; V44-Y48 PolarHBondContact O-N 2.56Å; V44-I56 HydrophobicContact CG1-CD1 3.53Å
45	I	83.9	Confident	80.7	Confident	21 Å²	21	78.9 Å²	78.9	11%	0.108	39%	0.39	C	S	.	.	H	α-helix	trans	-54.3	-52.9	-179.2	-66.9	165.4	0	0	0	108.7	R24 I27 A41 L47 Y48 D49 I56	R24-I45 HydrophobicContact CB-CD1 3.69Å; R24-I45 HydrophobicContact CG-CD1 3.74Å; I27-I45 HydrophobicContact CD1-CD1 4.15Å; I27-I45 HydrophobicContact CD1-CG1 3.6Å; A41-I45 VanDerWaalsContact O-CG1 3.26Å; A41-I45 WeakPolarHBondContact O-CG1 3.35Å; A41-I45 PolarHBondContact O-N 3.28Å; I45-L47 PolarHBondContact O-N 3.33Å; I45-Y48 PolarHBondContact O-N 3.06Å; I45-D49 HydrophobicContact CG2-CB 3.65Å; I45-D49 WeakPolarHBondContact CG2-OD2 3.33Å; I45-D49 WeakPolarHBondContact O-CA 3.46Å; I45-D49 WeakPolarHBondContact O-CB 3.16Å; I45-D49 PolarHBondContact O-N 2.85Å; I45-I56 HydrophobicContact CG1-CD1 4.37Å
46	K	81	Confident	81.1	Confident	185 Å²	185	75.5 Å²	75.5	80%	0.804	36%	0.356	S	S	*	.	H	α-helix	trans	-56.8	-25.5	178.4	-172.9	176.4	179.1	-177.3	0	114.7	E42 V44	E42-K46 WeakPolarHBondContact O-CB 3.39Å; E42-K46 PolarHBondContact O-N 3.26Å; V44-K46 VanDerWaalsContact C-N 3.31Å; V44-K46 PolarHBondContact O-N 3.12Å
47	L	76	Confident	81.5	Confident	86 Å²	86	74.7 Å²	74.7	45%	0.45	35%	0.354	S	S	.	.	H	α-helix	trans	-91.3	-21	-178.5	-72.8	163.9	0	0	0	113.7	M4 E43 V44 I45	M4-L47 HydrophobicContact CE-CB 4.11Å; M4-L47 HydrophobicContact CE-CD1 3.15Å; M4-L47 HydrophobicContact CE-CG 4.14Å; E43-L47 VanDerWaalsContact O-CB 3.27Å; E43-L47 WeakPolarHBondContact O-CB 3.26Å; E43-L47 WeakPolarHBondContact O-CD1 3.12Å; E43-L47 WeakPolarHBondContact O-CG 3.23Å; E43-L47 PolarHBondContact O-N 2.71Å; E43-L47 VanDerWaalsContact O-N 3.1Å; V44-L47 WeakPolarHBondContact O-CA 3.49Å; V44-L47 PolarHBondContact O-N 2.73Å; I45-L47 PolarHBondContact O-N 3.33Å
48	Y	77.3	Confident	81.3	Confident	4 Å²	4	76.9 Å²	76.9	2%	0.016	36%	0.361	C	S	.	.	H	α-helix	trans	-119.2	-39.5	-171.1	-78.2	-86.4	0	0	0	113.1	M4 V44 I45 E50 I56 E60 F61 A64	M4-Y48 HydrophobicContact CB-CE2 4.33Å; M4-Y48 WeakPolarHBondContact CB-OH 3.48Å; M4-Y48 HydrophobicContact CE-CE2 4.02Å; M4-Y48 HydrophobicContact CG-CE2 3.76Å; M4-Y48 HydrophobicContact SD-CE2 3.95Å; V44-Y48 HydrophobicContact CG1-CD2 3.82Å; V44-Y48 HydrophobicContact CG1-CE2 4.36Å; V44-Y48 WeakPolarHBondContact O-CB 3.18Å; V44-Y48 VanDerWaalsContact O-CD2 3.28Å; V44-Y48 WeakPolarHBondContact O-CD2 3.07Å; V44-Y48 PolarHBondContact O-N 2.56Å; I45-Y48 PolarHBondContact O-N 3.06Å; Y48-E50 PolarHBondContact O-N 3.44Å; Y48-I56 HydrophobicContact CG-CD1 4.37Å; Y48-E60 WeakPolarHBondContact O-CB 3.09Å; Y48-F61 AromaticContact CD1-CD2 3.47Å; Y48-F61 HydrophobicContact CD1-CD2 3.47Å; Y48-F61 VanDerWaalsContact CD1-CD2 3.47Å; Y48-F61 AromaticContact CD1-CE2 3.94Å; Y48-F61 HydrophobicContact CD1-CE2 3.94Å; Y48-F61 HydrophobicContact CD1-CG 4.23Å; Y48-F61 AromaticContact CE1-CD2 3.52Å; Y48-F61 HydrophobicContact CE1-CD2 3.52Å; Y48-F61 AromaticContact CE1-CE2 3.6Å; Y48-F61 HydrophobicContact CE1-CE2 3.6Å; Y48-F61 HydrophobicContact CE1-CG 4.24Å; Y48-F61 HydrophobicContact CE1-CZ 4.36Å; Y48-F61 HydrophobicContact CG-CD2 4.16Å; Y48-F61 AromaticContact CZ-CE2 3.95Å; Y48-A64 HydrophobicContact CD1-CB 3.27Å; Y48-A64 HydrophobicContact CE1-CB 3.59Å; Y48-A64 HydrophobicContact CG-CB 4Å
49	D	84.7	Confident	80.8	Confident	17 Å²	17	75.8 Å²	75.8	9%	0.091	36%	0.361	C	S	.	.			trans	-69	90.2	176.4	-176.7	5.6	0	0	0	109.4	I45 K52 D53 G54 I56	I45-D49 HydrophobicContact CG2-CB 3.65Å; I45-D49 WeakPolarHBondContact CG2-OD2 3.33Å; I45-D49 WeakPolarHBondContact O-CA 3.46Å; I45-D49 WeakPolarHBondContact O-CB 3.16Å; I45-D49 PolarHBondContact O-N 2.85Å; D49-K52 VanDerWaalsContact CG-CA 3.46Å; D49-K52 WeakPolarHBondContact OD1-CA 3.31Å; D49-K52 PolarHBondContact OD1-N 3.18Å; D49-K52 WeakPolarHBondContact OD2-CA 3.18Å; D49-D53 PolarHBondContact OD1-N 2.69Å; D49-D53 VanDerWaalsContact OD1-N 3.11Å; D49-G54 VanDerWaalsContact OD2-CA 3.3Å; D49-G54 WeakPolarHBondContact OD2-CA 3.37Å; D49-G54 PolarHBondContact OD2-N 2.69Å; D49-I56 HydrophobicContact CB-CG1 4.43Å
50	E	80.7	Confident	80.8	Confident	110 Å²	110	67.8 Å²	67.8	51%	0.514	33%	0.331	S	S	.	.	S	Bend	trans	-81.1	-35.7	-175.3	-173.9	171.3	102.8	0	0	109.9	Y48 E60	Y48-E50 PolarHBondContact O-N 3.44Å; E50-E60 HydrophobicContact CB-CG 4.46Å; E50-E60 PolarHBondContact N-OE1 3.39Å
51	D	84.1	Confident	80.6	Confident	100 Å²	100	64.4 Å²	64.4	54%	0.535	32%	0.316	S	S	.	.	S	Bend	trans	-85.3	-10.7	179.1	73	16	0	0	0	114	D53 E60	D51-D53 VanDerWaalsContact C-N 3.27Å; D51-D53 PolarHBondContact O-N 2.94Å; D51-D53 WeakPolarHBondContact OD1-CB 3.42Å; D51-D53 PolarHBondContact OD1-N 3.16Å; D51-E60 PolarHBondContact N-OE1 3.09Å; D51-E60 VanDerWaalsContact N-OE1 3.12Å
52	K	83.4	Confident	79.7	Confident	177 Å²	177	69 Å²	69	77%	0.77	34%	0.339	S	S	*	.			trans	63.1	31	178.2	-57.6	179.4	-177.7	173.2	0	113	D49 G54	D49-K52 VanDerWaalsContact CG-CA 3.46Å; D49-K52 WeakPolarHBondContact OD1-CA 3.31Å; D49-K52 PolarHBondContact OD1-N 3.18Å; D49-K52 WeakPolarHBondContact OD2-CA 3.18Å; K52-G54 PolarHBondContact O-N 3.47Å
53	D	85.4	Confident	79.1	Confident	72 Å²	72	68.1 Å²	68.1	39%	0.385	33%	0.333	S	S	.	.	S	Bend	trans	-77.7	-7.9	175.9	79.6	-0.2	0	0	0	113	D49 D51 K55	D49-D53 PolarHBondContact OD1-N 2.69Å; D49-D53 VanDerWaalsContact OD1-N 3.11Å; D51-D53 VanDerWaalsContact C-N 3.27Å; D51-D53 PolarHBondContact O-N 2.94Å; D51-D53 WeakPolarHBondContact OD1-CB 3.42Å; D51-D53 PolarHBondContact OD1-N 3.16Å; D53-K55 WeakPolarHBondContact OD1-CG 3.5Å; D53-K55 PolarHBondContact OD1-N 2.82Å; D53-K55 WeakPolarHBondContact OD2-CE 3.22Å; D53-K55 VanDerWaalsContact OD2-CG 3.24Å; D53-K55 WeakPolarHBondContact OD2-CG 3.48Å; D53-K55 IonicContact OD2-NZ 3.92Å
54	G	81.7	Confident	78.5	Confident	36 Å²	36	63.2 Å²	63.2	37%	0.371	31%	0.313	S	S	.	.	S	Bend	trans	87.6	4.8	177.4	0	0	0	0	0	114.6	D49 K52	D49-G54 VanDerWaalsContact OD2-CA 3.3Å; D49-G54 WeakPolarHBondContact OD2-CA 3.37Å; D49-G54 PolarHBondContact OD2-N 2.69Å; K52-G54 PolarHBondContact O-N 3.47Å
55	K	85.1	Confident	77.5	Confident	68 Å²	68	64 Å²	64	30%	0.296	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	165.5	170.1	53.3	179.5	-174.1	167.6	0	108.9	F21 L22 D53	F21-K55 HydrophobicContact CB-CB 4.28Å; F21-K55 HydrophobicContact CB-CD 3.83Å; F21-K55 HydrophobicContact CB-CG 4.35Å; F21-K55 HydrophobicContact CD1-CD 3.62Å; F21-K55 HydrophobicContact CD1-CG 4.11Å; F21-K55 HydrophobicContact CE1-CD 4.37Å; F21-K55 HydrophobicContact CG-CD 3.81Å; L22-K55 CarbonylContact O-C 3.51Å; L22-K55 WeakPolarHBondContact O-CA 3.32Å; D53-K55 WeakPolarHBondContact OD1-CG 3.5Å; D53-K55 PolarHBondContact OD1-N 2.82Å; D53-K55 WeakPolarHBondContact OD2-CE 3.22Å; D53-K55 VanDerWaalsContact OD2-CG 3.24Å; D53-K55 WeakPolarHBondContact OD2-CG 3.48Å; D53-K55 IonicContact OD2-NZ 3.92Å
56	I	83.5	Confident	76	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	107.7	178	-57.9	168.6	0	0	0	107.6	F21 L22 I27 V44 I45 Y48 D49 E60 F61	F21-I56 CarbonylContact C-O 3.51Å; F21-I56 WeakPolarHBondContact CA-O 3.21Å; L22-I56 HydrophobicContact CB-CB 4.36Å; L22-I56 PolarHBondContact N-O 2.9Å; L22-I56 PolarHBondContact O-N 3.41Å; I27-I56 HydrophobicContact CD1-CD1 3.46Å; I27-I56 VanDerWaalsContact CD1-CD1 3.46Å; I27-I56 HydrophobicContact CD1-CG1 4.12Å; V44-I56 HydrophobicContact CG1-CD1 3.53Å; I45-I56 HydrophobicContact CG1-CD1 4.37Å; Y48-I56 HydrophobicContact CG-CD1 4.37Å; D49-I56 HydrophobicContact CB-CG1 4.43Å; I56-E60 HydrophobicContact CG2-CB 4.43Å; I56-F61 HydrophobicContact CG2-CB 3.84Å; I56-F61 HydrophobicContact CG2-CD2 3.93Å; I56-F61 HydrophobicContact CG2-CG 4.37Å
57	S	82.5	Confident	74.5	Confident	18 Å²	18	63 Å²	63	13%	0.126	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	151.6	172.7	66.5	0	0	0	0	111.1	N59 E60 F61	S57-N59 PolarHBondContact O-N 2.95Å; S57-N59 VanDerWaalsContact O-N 3.08Å; S57-E60 WeakPolarHBondContact CB-OE2 3.43Å; S57-E60 PolarHBondContact N-OE2 2.87Å; S57-E60 PolarHBondContact O-N 3.2Å; S57-E60 VanDerWaalsContact O-N 3.11Å; S57-E60 WeakPolarHBondContact OG-CB 3.27Å; S57-E60 WeakPolarHBondContact OG-CG 3.21Å; S57-E60 PolarHBondContact OG-N 2.99Å; S57-E60 VanDerWaalsContact OG-N 3.07Å; S57-E60 PolarHBondContact OG-OE2 3.43Å; S57-F61 VanDerWaalsContact O-CB 3.27Å; S57-F61 WeakPolarHBondContact O-CB 3.35Å; S57-F61 PolarHBondContact O-N 3.25Å
58	K	73.3	Confident	73.1	Confident	105 Å²	105	62.6 Å²	62.6	46%	0.457	31%	0.311	S	S	.	.	H	α-helix	trans	-52.6	-33.2	172.4	-168.9	166.4	-171.2	152.8	0	112.4	F11 D12 G20 F61 M62	F11-K58 HydrophobicContact CE1-CB 3.94Å; F11-K58 HydrophobicContact CE1-CD 4.37Å; F11-K58 HydrophobicContact CE1-CG 4.26Å; F11-K58 HydrophobicContact CE2-CB 4.49Å; F11-K58 HydrophobicContact CZ-CB 3.79Å; F11-K58 HydrophobicContact CZ-CG 4.4Å; D12-K58 IonicContact OD1-NZ 2.6Å; D12-K58 PolarHBondContact OD1-NZ 3.12Å; G20-K58 PolarHBondContact O-N 3.46Å; K58-F61 WeakPolarHBondContact O-CB 3.43Å; K58-M62 WeakPolarHBondContact O-CB 3.44Å; K58-M62 WeakPolarHBondContact O-CG 3.02Å; K58-M62 PolarHBondContact O-N 2.85Å
59	N	71.7	Confident	71.2	Confident	101 Å²	101	64.4 Å²	64.4	54%	0.54	32%	0.321	S	S	.	.	H	α-helix	trans	-71.8	-45.1	177.8	-176.5	61.1	0	0	0	112.8	S57 F61 M62 K63	S57-N59 PolarHBondContact O-N 2.95Å; S57-N59 VanDerWaalsContact O-N 3.08Å; N59-F61 VanDerWaalsContact C-N 3.26Å; N59-F61 PolarHBondContact O-N 3.4Å; N59-M62 PolarHBondContact O-N 3.23Å; N59-K63 WeakPolarHBondContact ND2-CE 3.43Å; N59-K63 VanDerWaalsContact O-CB 3.31Å; N59-K63 WeakPolarHBondContact O-CB 3.46Å; N59-K63 VanDerWaalsContact O-CG 3.29Å; N59-K63 WeakPolarHBondContact O-CG 3.12Å; N59-K63 PolarHBondContact O-N 2.82Å
60	E	81.3	Confident	69.1	Low	10 Å²	10	68 Å²	68	5%	0.047	35%	0.347	C	S	.	.	H	α-helix	trans	-62.3	-39.2	173.2	-76.4	172.1	119.9	0	0	111.9	Y48 E50 D51 I56 S57 K63 A64	Y48-E60 WeakPolarHBondContact O-CB 3.09Å; E50-E60 HydrophobicContact CB-CG 4.46Å; E50-E60 PolarHBondContact N-OE1 3.39Å; D51-E60 PolarHBondContact N-OE1 3.09Å; D51-E60 VanDerWaalsContact N-OE1 3.12Å; I56-E60 HydrophobicContact CG2-CB 4.43Å; S57-E60 WeakPolarHBondContact CB-OE2 3.43Å; S57-E60 PolarHBondContact N-OE2 2.87Å; S57-E60 PolarHBondContact O-N 3.2Å; S57-E60 VanDerWaalsContact O-N 3.11Å; S57-E60 WeakPolarHBondContact OG-CB 3.27Å; S57-E60 WeakPolarHBondContact OG-CG 3.21Å; S57-E60 PolarHBondContact OG-N 2.99Å; S57-E60 VanDerWaalsContact OG-N 3.07Å; S57-E60 PolarHBondContact OG-OE2 3.43Å; E60-K63 PolarHBondContact O-N 3.45Å; E60-A64 WeakPolarHBondContact O-CB 3.34Å; E60-A64 PolarHBondContact O-N 3.31Å
61	F	72	Confident	67.2	Low	9 Å²	9	69.9 Å²	69.9	4%	0.039	36%	0.356	C	S	.	.	H	α-helix	trans	-57.1	-55.8	174.2	-165.8	-102.5	0	0	0	111.9	L7 E8 F11 Y48 I56 S57 K58 N59 K63 A64 T65	L7-F61 HydrophobicContact CB-CE2 4.03Å; L7-F61 HydrophobicContact CB-CZ 4.12Å; E8-F61 HydrophobicContact CB-CE1 3.73Å; E8-F61 HydrophobicContact CB-CZ 3.7Å; E8-F61 HydrophobicContact CG-CD1 4.49Å; E8-F61 HydrophobicContact CG-CE1 3.25Å; E8-F61 HydrophobicContact CG-CE2 4.22Å; E8-F61 HydrophobicContact CG-CZ 3.08Å; E8-F61 VanDerWaalsContact N-CZ 3.35Å; F11-F61 HydrophobicContact CD2-CB 4.39Å; F11-F61 AromaticContact CD2-CD1 3.97Å; F11-F61 HydrophobicContact CD2-CD1 3.97Å; F11-F61 HydrophobicContact CD2-CD2 4.33Å; F11-F61 HydrophobicContact CD2-CE1 4.26Å; F11-F61 AromaticContact CD2-CG 3.96Å; F11-F61 HydrophobicContact CD2-CG 3.96Å; F11-F61 HydrophobicContact CE2-CB 3.99Å; F11-F61 HydrophobicContact CE2-CD1 4.39Å; F11-F61 HydrophobicContact CE2-CD2 4.44Å; F11-F61 HydrophobicContact CE2-CG 4.02Å; Y48-F61 AromaticContact CD1-CD2 3.47Å; Y48-F61 HydrophobicContact CD1-CD2 3.47Å; Y48-F61 VanDerWaalsContact CD1-CD2 3.47Å; Y48-F61 AromaticContact CD1-CE2 3.94Å; Y48-F61 HydrophobicContact CD1-CE2 3.94Å; Y48-F61 HydrophobicContact CD1-CG 4.23Å; Y48-F61 AromaticContact CE1-CD2 3.52Å; Y48-F61 HydrophobicContact CE1-CD2 3.52Å; Y48-F61 AromaticContact CE1-CE2 3.6Å; Y48-F61 HydrophobicContact CE1-CE2 3.6Å; Y48-F61 HydrophobicContact CE1-CG 4.24Å; Y48-F61 HydrophobicContact CE1-CZ 4.36Å; Y48-F61 HydrophobicContact CG-CD2 4.16Å; Y48-F61 AromaticContact CZ-CE2 3.95Å; I56-F61 HydrophobicContact CG2-CB 3.84Å; I56-F61 HydrophobicContact CG2-CD2 3.93Å; I56-F61 HydrophobicContact CG2-CG 4.37Å; S57-F61 VanDerWaalsContact O-CB 3.27Å; S57-F61 WeakPolarHBondContact O-CB 3.35Å; S57-F61 PolarHBondContact O-N 3.25Å; K58-F61 WeakPolarHBondContact O-CB 3.43Å; N59-F61 VanDerWaalsContact C-N 3.26Å; N59-F61 PolarHBondContact O-N 3.4Å; F61-K63 VanDerWaalsContact C-N 3.29Å; F61-K63 PolarHBondContact O-N 2.93Å; F61-A64 PolarHBondContact O-N 3.47Å; F61-T65 WeakPolarHBondContact O-CB 3.29Å; F61-T65 PolarHBondContact O-N 2.9Å; F61-T65 PolarHBondContact O-OG1 3.14Å; F61-T65 VanDerWaalsContact O-OG1 3.12Å
62	M	65.7	Low	64.9	Low	98 Å²	98	68.4 Å²	68.4	48%	0.483	35%	0.35	S	S	.	.	H	α-helix	trans	-61.5	-35.9	175.2	-69	-70.6	-70.3	0	0	112	K58 N59 N66	K58-M62 WeakPolarHBondContact O-CB 3.44Å; K58-M62 WeakPolarHBondContact O-CG 3.02Å; K58-M62 PolarHBondContact O-N 2.85Å; N59-M62 PolarHBondContact O-N 3.23Å; M62-N66 WeakPolarHBondContact O-CA 3.35Å; M62-N66 WeakPolarHBondContact O-CB 3.39Å; M62-N66 PolarHBondContact O-N 2.82Å; M62-N66 PolarHBondContact O-ND2 3.37Å
63	K	69.5	Low	62.9	Low	93 Å²	93	66.1 Å²	66.1	40%	0.404	35%	0.347	S	S	.	.	H	α-helix	trans	-67.4	-44.7	177	-83.9	177.7	173.1	-175.4	0	111.9	N59 E60 F61 N66 K67	N59-K63 WeakPolarHBondContact ND2-CE 3.43Å; N59-K63 VanDerWaalsContact O-CB 3.31Å; N59-K63 WeakPolarHBondContact O-CB 3.46Å; N59-K63 VanDerWaalsContact O-CG 3.29Å; N59-K63 WeakPolarHBondContact O-CG 3.12Å; N59-K63 PolarHBondContact O-N 2.82Å; E60-K63 PolarHBondContact O-N 3.45Å; F61-K63 VanDerWaalsContact C-N 3.29Å; F61-K63 PolarHBondContact O-N 2.93Å; K63-N66 PolarHBondContact O-N 2.84Å; K63-K67 WeakPolarHBondContact O-CA 3.08Å; K63-K67 WeakPolarHBondContact O-CB 3.34Å; K63-K67 PolarHBondContact O-N 3.45Å
64	A	67.2	Low	61.2	Low	13 Å²	13	64.1 Å²	64.1	11%	0.107	34%	0.337	C	S	.	.	H	α-helix	trans	-71.5	-36.2	-179.4	0	0	0	0	0	111.5	Y48 E60 F61 K68	Y48-A64 HydrophobicContact CD1-CB 3.27Å; Y48-A64 HydrophobicContact CE1-CB 3.59Å; Y48-A64 HydrophobicContact CG-CB 4Å; E60-A64 WeakPolarHBondContact O-CB 3.34Å; E60-A64 PolarHBondContact O-N 3.31Å; F61-A64 PolarHBondContact O-N 3.47Å; A64-K68 WeakPolarHBondContact O-CB 3.46Å; A64-K68 PolarHBondContact O-N 2.66Å
65	T	57.3	Low	59.8	Low	20 Å²	20	65 Å²	65	12%	0.123	34%	0.338	C	S	.	.	H	α-helix	trans	-64.7	-52.1	170.6	-64.4	0	0	0	0	110	E8 F61 K67 K68 L69	E8-T65 WeakPolarHBondContact OE1-CB 3.49Å; E8-T65 WeakPolarHBondContact OE1-CG2 3.31Å; E8-T65 PolarHBondContact OE1-OG1 2.99Å; F61-T65 WeakPolarHBondContact O-CB 3.29Å; F61-T65 PolarHBondContact O-N 2.9Å; F61-T65 PolarHBondContact O-OG1 3.14Å; F61-T65 VanDerWaalsContact O-OG1 3.12Å; T65-K67 PolarHBondContact O-N 3.06Å; T65-K68 CarbonylContact O-C 3.58Å; T65-K68 PolarHBondContact O-N 2.92Å; T65-L69 HydrophobicContact CG2-CD1 3.44Å; T65-L69 VanDerWaalsContact CG2-CD1 3.44Å; T65-L69 HydrophobicContact CG2-CG 4.49Å; T65-L69 WeakPolarHBondContact O-CB 3.01Å; T65-L69 VanDerWaalsContact O-CD1 3.31Å; T65-L69 WeakPolarHBondContact O-CD1 3.36Å; T65-L69 WeakPolarHBondContact O-CG 3.31Å; T65-L69 PolarHBondContact O-N 2.87Å
66	N	51.9	Low	58.4	Low	83 Å²	83	65.1 Å²	65.1	44%	0.444	35%	0.346	S	S	.	.	H	α-helix	trans	-62.6	-36.4	176.1	-80.2	-47.4	0	0	0	113.5	M62 K63 K68 L69 S70	M62-N66 WeakPolarHBondContact O-CA 3.35Å; M62-N66 WeakPolarHBondContact O-CB 3.39Å; M62-N66 PolarHBondContact O-N 2.82Å; M62-N66 PolarHBondContact O-ND2 3.37Å; K63-N66 PolarHBondContact O-N 2.84Å; N66-K68 VanDerWaalsContact C-N 3.33Å; N66-L69 CarbonylContact O-C 3.43Å; N66-L69 PolarHBondContact O-N 3.48Å; N66-L69 VanDerWaalsContact O-N 3.16Å; N66-S70 WeakPolarHBondContact O-CB 3.15Å; N66-S70 PolarHBondContact O-N 2.72Å; N66-S70 PolarHBondContact O-OG 2.81Å
67	K	50.5	Low	57.2	Low	104 Å²	104	67.8 Å²	67.8	45%	0.452	37%	0.368	S	S	.	.	H	α-helix	trans	-70.9	-32.2	178.2	-171.4	175.9	-174.6	176.9	0	110.9	K63 T65 Q71	K63-K67 WeakPolarHBondContact O-CA 3.08Å; K63-K67 WeakPolarHBondContact O-CB 3.34Å; K63-K67 PolarHBondContact O-N 3.45Å; T65-K67 PolarHBondContact O-N 3.06Å; K67-Q71 WeakPolarHBondContact O-CB 3.35Å; K67-Q71 WeakPolarHBondContact O-CG 3.27Å; K67-Q71 PolarHBondContact O-N 3.18Å
68	K	46.2	Very low	56.1	Low	76 Å²	76	68.7 Å²	68.7	33%	0.33	38%	0.377	S	S	.	.	H	α-helix	trans	-72.4	-35.3	167.2	-81.2	173.2	-178.5	153.9	0	111.4	M4 A64 T65 N66 S70 T72	M4-K68 PolarHBondContact SD-NZ 3.29Å; A64-K68 WeakPolarHBondContact O-CB 3.46Å; A64-K68 PolarHBondContact O-N 2.66Å; T65-K68 CarbonylContact O-C 3.58Å; T65-K68 PolarHBondContact O-N 2.92Å; N66-K68 VanDerWaalsContact C-N 3.33Å; K68-S70 VanDerWaalsContact C-N 3.33Å; K68-T72 WeakPolarHBondContact O-CA 3.35Å; K68-T72 WeakPolarHBondContact O-CB 3.28Å; K68-T72 PolarHBondContact O-N 3.02Å; K68-T72 PolarHBondContact O-OG1 2.71Å
69	L	37.9	Very low	55.7	Low	43 Å²	43	64.2 Å²	64.2	23%	0.225	36%	0.358	C	S	.	.	H	α-helix	trans	-75.8	-20.9	176.8	-68.5	159	0	0	0	113.4	T65 N66 T72 L143	T65-L69 HydrophobicContact CG2-CD1 3.44Å; T65-L69 VanDerWaalsContact CG2-CD1 3.44Å; T65-L69 HydrophobicContact CG2-CG 4.49Å; T65-L69 WeakPolarHBondContact O-CB 3.01Å; T65-L69 VanDerWaalsContact O-CD1 3.31Å; T65-L69 WeakPolarHBondContact O-CD1 3.36Å; T65-L69 WeakPolarHBondContact O-CG 3.31Å; T65-L69 PolarHBondContact O-N 2.87Å; N66-L69 CarbonylContact O-C 3.43Å; N66-L69 PolarHBondContact O-N 3.48Å; N66-L69 VanDerWaalsContact O-N 3.16Å; L69-T72 CarbonylContact C-O 3.51Å; L69-L143 WeakPolarHBondContact CD1-O 3.28Å; L69-L143 VanDerWaalsContact CD2-CA 3.45Å; L69-L143 HydrophobicContact CD2-CB 3.73Å; L69-L143 HydrophobicContact CD2-CD2 3.19Å; L69-L143 HydrophobicContact CD2-CG 4.02Å; L69-L143 WeakPolarHBondContact CD2-O 3.25Å
70	S	39.4	Very low	55.5	Low	91 Å²	91	64.8 Å²	64.8	64%	0.636	35%	0.352	S	S	*	.	H	α-helix	trans	-99.1	-21.7	177.6	80	0	0	0	0	113	N66 K68	N66-S70 WeakPolarHBondContact O-CB 3.15Å; N66-S70 PolarHBondContact O-N 2.72Å; N66-S70 PolarHBondContact O-OG 2.81Å; K68-S70 VanDerWaalsContact C-N 3.33Å
71	Q	40.7	Very low	54.9	Low	150 Å²	150	70.3 Å²	70.3	70%	0.701	38%	0.376	S	S	*	.	H	α-helix	trans	-94.5	-23.3	170	-70.7	-171.8	13.8	0	0	113.1	K67 D73	K67-Q71 WeakPolarHBondContact O-CB 3.35Å; K67-Q71 WeakPolarHBondContact O-CG 3.27Å; K67-Q71 PolarHBondContact O-N 3.18Å; Q71-D73 VanDerWaalsContact C-N 3.27Å; Q71-D73 PolarHBondContact O-N 2.53Å
72	T	36.5	Very low	54.9	Low	69 Å²	69	72.5 Å²	72.5	42%	0.423	39%	0.387	S	S	.	.	S	Bend	trans	-87.4	85.3	155	-26.1	0	0	0	0	104.1	K68 L69 V74	K68-T72 WeakPolarHBondContact O-CA 3.35Å; K68-T72 WeakPolarHBondContact O-CB 3.28Å; K68-T72 PolarHBondContact O-N 3.02Å; K68-T72 PolarHBondContact O-OG1 2.71Å; L69-T72 CarbonylContact C-O 3.51Å; T72-V74 HydrophobicContact CG2-CG2 4.26Å; T72-V74 WeakPolarHBondContact O-CG2 3.36Å; T72-V74 PolarHBondContact O-N 3.37Å
73	D	41.2	Very low	55.3	Low	130 Å²	130	68.4 Å²	68.4	70%	0.695	37%	0.367	S	S	*	.			trans	-45.1	99.3	140.9	-152.2	-15.6	0	0	0	101.9	Q71 S75	Q71-D73 VanDerWaalsContact C-N 3.27Å; Q71-D73 PolarHBondContact O-N 2.53Å; D73-S75 WeakPolarHBondContact O-CA 3.44Å; D73-S75 PolarHBondContact O-N 2.81Å; D73-S75 PolarHBondContact O-OG 3.23Å; D73-S75 VanDerWaalsContact O-OG 3.06Å
74	V	51	Low	55.6	Low	30 Å²	30	73 Å²	73	18%	0.182	38%	0.382	C	S	.	.			trans	-71.4	80.5	-179.7	-170.3	0	0	0	0	101.9	T72 C76 A78 L79 L143	T72-V74 HydrophobicContact CG2-CG2 4.26Å; T72-V74 WeakPolarHBondContact O-CG2 3.36Å; T72-V74 PolarHBondContact O-N 3.37Å; V74-C76 PolarHBondContact O-N 2.78Å; V74-A78 HydrophobicContact CG1-CB 3.95Å; V74-L79 HydrophobicContact CB-CD1 4.36Å; V74-L79 HydrophobicContact CB-CG 4.39Å; V74-L79 HydrophobicContact CG1-CD1 4Å; V74-L79 HydrophobicContact CG1-CD2 3.72Å; V74-L79 HydrophobicContact CG1-CG 3.51Å; V74-L143 HydrophobicContact CB-CD1 3.62Å; V74-L143 HydrophobicContact CG1-CD1 4.02Å; V74-L143 HydrophobicContact CG2-CD1 3.47Å; V74-L143 VanDerWaalsContact CG2-CD1 3.47Å; V74-L143 HydrophobicContact CG2-CD2 3.63Å; V74-L143 HydrophobicContact CG2-CG 4.14Å
75	S	52.2	Low	55.9	Low	54 Å²	54	76.6 Å²	76.6	38%	0.378	40%	0.396	S	S	.	.			trans	-58.8	144.8	-163.6	-68.5	0	0	0	0	102.1	D73 A77 A78 L79	D73-S75 WeakPolarHBondContact O-CA 3.44Å; D73-S75 PolarHBondContact O-N 2.81Å; D73-S75 PolarHBondContact O-OG 3.23Å; D73-S75 VanDerWaalsContact O-OG 3.06Å; S75-A77 CarbonylContact O-C 3.38Å; S75-A77 WeakPolarHBondContact O-CA 3.28Å; S75-A77 PolarHBondContact O-N 2.81Å; S75-A78 PolarHBondContact O-N 3.3Å; S75-L79 PolarHBondContact O-N 3.49Å
76	C	55	Low	56.7	Low	71 Å²	71	76 Å²	76	48%	0.48	39%	0.392	S	S	.	.	H	α-helix	trans	-48.4	-24.2	173.8	-54.4	0	0	0	0	110.3	V74 R80 Y132	V74-C76 PolarHBondContact O-N 2.78Å; C76-R80 VanDerWaalsContact C-NE 3.31Å; C76-R80 WeakPolarHBondContact O-CA 3.37Å; C76-R80 WeakPolarHBondContact O-CB 3.39Å; C76-R80 WeakPolarHBondContact O-CG 3.17Å; C76-R80 PolarHBondContact O-N 3.36Å; C76-R80 PolarHBondContact O-NE 3.08Å; C76-Y132 PolarHBondContact O-OH 2.77Å
77	A	57.8	Low	58.1	Low	55 Å²	55	72.5 Å²	72.5	46%	0.455	37%	0.374	S	S	.	.	H	α-helix	trans	-56.1	-50.4	165.1	0	0	0	0	0	117	S75 R80 K81	S75-A77 CarbonylContact O-C 3.38Å; S75-A77 WeakPolarHBondContact O-CA 3.28Å; S75-A77 PolarHBondContact O-N 2.81Å; A77-R80 VanDerWaalsContact N-NH2 3.18Å; A77-R80 PolarHBondContact O-N 2.94Å; A77-K81 WeakPolarHBondContact O-CB 3.34Å; A77-K81 PolarHBondContact O-N 3.41Å
78	A	59.7	Low	59.3	Low	37 Å²	37	74.1 Å²	74.1	31%	0.306	38%	0.381	S	S	.	.	H	α-helix	trans	-67.6	-44.3	178.6	0	0	0	0	0	111.3	V74 S75 R80 K81 I82	V74-A78 HydrophobicContact CG1-CB 3.95Å; S75-A78 PolarHBondContact O-N 3.3Å; A78-R80 VanDerWaalsContact C-N 3.34Å; A78-R80 PolarHBondContact O-N 3.47Å; A78-K81 WeakPolarHBondContact O-CB 3.48Å; A78-K81 PolarHBondContact O-N 3.12Å; A78-K81 VanDerWaalsContact O-N 3.09Å; A78-I82 WeakPolarHBondContact O-CG1 3.27Å; A78-I82 PolarHBondContact O-N 2.93Å
79	L	64.9	Low	60.9	Low	11 Å²	11	74.4 Å²	74.4	6%	0.058	39%	0.386	C	S	.	.	H	α-helix	trans	-63	-41.7	173.6	-66.6	165.6	0	0	0	111.3	V74 S75 K81 I82 F83 F135 I136 V139 L143	V74-L79 HydrophobicContact CB-CD1 4.36Å; V74-L79 HydrophobicContact CB-CG 4.39Å; V74-L79 HydrophobicContact CG1-CD1 4Å; V74-L79 HydrophobicContact CG1-CD2 3.72Å; V74-L79 HydrophobicContact CG1-CG 3.51Å; S75-L79 PolarHBondContact O-N 3.49Å; L79-K81 VanDerWaalsContact C-N 3.28Å; L79-K81 PolarHBondContact O-N 2.6Å; L79-I82 PolarHBondContact O-N 3.11Å; L79-F83 WeakPolarHBondContact O-CB 3.44Å; L79-F83 PolarHBondContact O-N 3.07Å; L79-F135 HydrophobicContact CD2-CE1 4.35Å; L79-I136 HydrophobicContact CB-CD1 3.37Å; L79-I136 HydrophobicContact CD1-CD1 3.24Å; L79-I136 HydrophobicContact CD2-CD1 4.29Å; L79-I136 HydrophobicContact CG-CD1 3.73Å; L79-V139 HydrophobicContact CD2-CB 3.78Å; L79-V139 HydrophobicContact CD2-CG1 3.38Å; L79-V139 HydrophobicContact CD2-CG2 4.1Å; L79-L143 HydrophobicContact CD2-CD1 4.47Å
80	R	67.8	Low	62.9	Low	114 Å²	114	80.7 Å²	80.7	43%	0.43	41%	0.411	S	S	.	.	H	α-helix	trans	-60.3	-37.5	172.4	-82.1	178.1	-66.5	-116.9	9.4	111.9	C76 A77 A78 R84 Y132	C76-R80 VanDerWaalsContact C-NE 3.31Å; C76-R80 WeakPolarHBondContact O-CA 3.37Å; C76-R80 WeakPolarHBondContact O-CB 3.39Å; C76-R80 WeakPolarHBondContact O-CG 3.17Å; C76-R80 PolarHBondContact O-N 3.36Å; C76-R80 PolarHBondContact O-NE 3.08Å; A77-R80 VanDerWaalsContact N-NH2 3.18Å; A77-R80 PolarHBondContact O-N 2.94Å; A78-R80 VanDerWaalsContact C-N 3.34Å; A78-R80 PolarHBondContact O-N 3.47Å; R80-R84 VanDerWaalsContact O-CB 3.26Å; R80-R84 WeakPolarHBondContact O-CB 3.4Å; R80-R84 WeakPolarHBondContact O-CD 3.31Å; R80-R84 WeakPolarHBondContact O-CG 3.39Å; R80-R84 PolarHBondContact O-N 2.8Å; R80-Y132 HydrophobicContact CG-CE2 3.71Å; R80-Y132 WeakPolarHBondContact CG-OH 3.4Å
81	K	69.6	Low	65.1	Low	125 Å²	125	79.2 Å²	79.2	54%	0.543	40%	0.397	S	S	.	.	H	α-helix	trans	-67.7	-51.3	178.4	-171.2	-172.6	173.4	-167.2	0	110.4	A77 A78 L79 F83 R84 E85	A77-K81 WeakPolarHBondContact O-CB 3.34Å; A77-K81 PolarHBondContact O-N 3.41Å; A78-K81 WeakPolarHBondContact O-CB 3.48Å; A78-K81 PolarHBondContact O-N 3.12Å; A78-K81 VanDerWaalsContact O-N 3.09Å; L79-K81 VanDerWaalsContact C-N 3.28Å; L79-K81 PolarHBondContact O-N 2.6Å; K81-F83 VanDerWaalsContact C-N 3.31Å; K81-F83 PolarHBondContact O-N 3.48Å; K81-R84 CarbonylContact O-C 3.59Å; K81-R84 WeakPolarHBondContact O-CB 3.35Å; K81-R84 PolarHBondContact O-N 3.22Å; K81-R84 VanDerWaalsContact O-N 3.12Å; K81-E85 WeakPolarHBondContact CE-OE1 3.16Å; K81-E85 IonicContact NZ-OE1 2.66Å; K81-E85 WeakPolarHBondContact O-CG 3.43Å; K81-E85 PolarHBondContact O-N 2.88Å
82	I	71.2	Confident	67	Low	55 Å²	55	81.7 Å²	81.7	28%	0.282	40%	0.399	S	S	.	.	H	α-helix	trans	-58	-46	177.9	-68.4	168.9	0	0	0	110.4	A78 L79 R84 E85 M86 F135	A78-I82 WeakPolarHBondContact O-CG1 3.27Å; A78-I82 PolarHBondContact O-N 2.93Å; L79-I82 PolarHBondContact O-N 3.11Å; I82-R84 PolarHBondContact O-N 2.83Å; I82-E85 PolarHBondContact O-N 3.32Å; I82-M86 HydrophobicContact CB-CE 4.48Å; I82-M86 HydrophobicContact CG2-CE 3.16Å; I82-M86 PolarHBondContact O-N 2.82Å; I82-F135 HydrophobicContact CG2-CE1 4.23Å; I82-F135 HydrophobicContact CG2-CZ 3.65Å
83	F	73.4	Confident	69.3	Low	13 Å²	13	79.4 Å²	79.4	6%	0.057	39%	0.386	C	S	.	.	H	α-helix	trans	-58.9	-45.7	175.5	-173.1	-87.7	0	0	0	111.9	L79 K81 E85 M86 D87 R92 I94 Y132 F135	L79-F83 WeakPolarHBondContact O-CB 3.44Å; L79-F83 PolarHBondContact O-N 3.07Å; K81-F83 VanDerWaalsContact C-N 3.31Å; K81-F83 PolarHBondContact O-N 3.48Å; F83-E85 VanDerWaalsContact C-N 3.31Å; F83-E85 PolarHBondContact O-N 3.29Å; F83-M86 PolarHBondContact O-N 3.42Å; F83-D87 HydrophobicContact CD1-CB 4.39Å; F83-D87 HydrophobicContact CE1-CB 4.16Å; F83-D87 VanDerWaalsContact O-CB 3.23Å; F83-D87 WeakPolarHBondContact O-CB 3.22Å; F83-D87 PolarHBondContact O-N 3.38Å; F83-R92 VanDerWaalsContact CZ-O 3.27Å; F83-R92 WeakPolarHBondContact CZ-O 3.47Å; F83-I94 HydrophobicContact CD2-CD1 3.37Å; F83-I94 HydrophobicContact CD2-CG1 3.88Å; F83-I94 HydrophobicContact CE2-CD1 3.57Å; F83-I94 HydrophobicContact CE2-CG1 3.61Å; F83-I94 HydrophobicContact CG-CD1 4.18Å; F83-I94 HydrophobicContact CZ-CD1 4.5Å; F83-I94 HydrophobicContact CZ-CG1 4.13Å; F83-Y132 HydrophobicContact CB-CD2 4.19Å; F83-Y132 HydrophobicContact CB-CE2 4.38Å; F83-Y132 HydrophobicContact CD1-CD2 4.15Å; F83-Y132 AromaticContact CD2-CD2 3.94Å; F83-Y132 HydrophobicContact CD2-CD2 3.94Å; F83-Y132 HydrophobicContact CE2-CD2 4.39Å; F83-Y132 AromaticContact CG-CD2 3.82Å; F83-Y132 HydrophobicContact CG-CD2 3.82Å; F83-Y132 HydrophobicContact CG-CE2 4.48Å; F83-F135 HydrophobicContact CB-CD1 4.18Å; F83-F135 HydrophobicContact CB-CE1 4.18Å; F83-F135 HydrophobicContact CD2-CB 3.88Å; F83-F135 AromaticContact CD2-CD1 3.68Å; F83-F135 HydrophobicContact CD2-CD1 3.68Å; F83-F135 HydrophobicContact CD2-CE1 4.4Å; F83-F135 AromaticContact CD2-CG 3.77Å; F83-F135 HydrophobicContact CD2-CG 3.77Å; F83-F135 HydrophobicContact CE2-CB 4.03Å; F83-F135 HydrophobicContact CE2-CG 4.37Å; F83-F135 HydrophobicContact CG-CD1 4.43Å
84	R	76.8	Confident	71.2	Confident	188 Å²	188	73.2 Å²	73.2	71%	0.709	35%	0.353	S	S	*	.	H	α-helix	trans	-66.5	-29.4	176.6	-77.1	171.1	-179.1	-175.1	0.4	113.8	R80 K81 I82	R80-R84 VanDerWaalsContact O-CB 3.26Å; R80-R84 WeakPolarHBondContact O-CB 3.4Å; R80-R84 WeakPolarHBondContact O-CD 3.31Å; R80-R84 WeakPolarHBondContact O-CG 3.39Å; R80-R84 PolarHBondContact O-N 2.8Å; K81-R84 CarbonylContact O-C 3.59Å; K81-R84 WeakPolarHBondContact O-CB 3.35Å; K81-R84 PolarHBondContact O-N 3.22Å; K81-R84 VanDerWaalsContact O-N 3.12Å; I82-R84 PolarHBondContact O-N 2.83Å
85	E	72.5	Confident	72.7	Confident	89 Å²	89	72.8 Å²	72.8	42%	0.416	35%	0.351	S	S	.	.	H	α-helix	trans	-75.2	-31.8	175.7	-73.7	175.4	141	0	0	111.2	K81 I82 F83 Y102	K81-E85 WeakPolarHBondContact CE-OE1 3.16Å; K81-E85 IonicContact NZ-OE1 2.66Å; K81-E85 WeakPolarHBondContact O-CG 3.43Å; K81-E85 PolarHBondContact O-N 2.88Å; I82-E85 PolarHBondContact O-N 3.32Å; F83-E85 VanDerWaalsContact C-N 3.31Å; F83-E85 PolarHBondContact O-N 3.29Å; E85-Y102 HydrophobicContact CB-CE2 3.95Å
86	M	74.7	Confident	74.1	Confident	7 Å²	7	73.5 Å²	73.5	3%	0.034	35%	0.347	C	S	.	.	H	α-helix	trans	-75.8	-45.7	173.8	-88.8	-173.3	-89.6	0	0	113.7	I82 F83 K88 I94 L99 Y102 F135	I82-M86 HydrophobicContact CB-CE 4.48Å; I82-M86 HydrophobicContact CG2-CE 3.16Å; I82-M86 PolarHBondContact O-N 2.82Å; F83-M86 PolarHBondContact O-N 3.42Å; M86-K88 PolarHBondContact O-N 3.17Å; M86-I94 HydrophobicContact CB-CD1 3.74Å; M86-I94 HydrophobicContact CB-CG1 3.93Å; M86-I94 HydrophobicContact CB-CG2 4.28Å; M86-I94 HydrophobicContact CE-CD1 4.15Å; M86-I94 HydrophobicContact CG-CD1 4.39Å; M86-I94 HydrophobicContact SD-CD1 3.89Å; M86-I94 HydrophobicContact SD-CG2 4.28Å; M86-L99 HydrophobicContact SD-CD1 3.55Å; M86-L99 VanDerWaalsContact SD-CD1 3.55Å; M86-Y102 HydrophobicContact CB-CD2 4.47Å; M86-Y102 HydrophobicContact CB-CG 4.4Å; M86-Y102 HydrophobicContact CE-CD1 3.95Å; M86-Y102 HydrophobicContact CE-CE1 3.81Å; M86-Y102 VanDerWaalsContact CG-CB 3.42Å; M86-Y102 HydrophobicContact CG-CD1 3.38Å; M86-Y102 HydrophobicContact CG-CD2 3.47Å; M86-Y102 VanDerWaalsContact CG-CD2 3.47Å; M86-Y102 HydrophobicContact CG-CE1 3.92Å; M86-Y102 HydrophobicContact CG-CE2 4.01Å; M86-Y102 HydrophobicContact CG-CG 3.12Å; M86-Y102 HydrophobicContact SD-CD1 3.5Å; M86-Y102 WeakPolarHBondContact SD-CD1 3.27Å; M86-Y102 HydrophobicContact SD-CE1 4.01Å; M86-Y102 HydrophobicContact SD-CG 3.87Å; M86-F135 HydrophobicContact CE-CD2 4.38Å; M86-F135 HydrophobicContact CE-CE1 4.41Å; M86-F135 HydrophobicContact CE-CE2 3.29Å; M86-F135 HydrophobicContact CE-CZ 3.31Å; M86-F135 HydrophobicContact SD-CE2 4.15Å
87	D	81.6	Confident	75.2	Confident	11 Å²	11	75.5 Å²	75.5	6%	0.059	35%	0.349	C	S	.	.			trans	-72.9	71.8	-179.7	-179.7	13.5	0	0	0	110.7	F83 N89 K90 D91 R92	F83-D87 HydrophobicContact CD1-CB 4.39Å; F83-D87 HydrophobicContact CE1-CB 4.16Å; F83-D87 VanDerWaalsContact O-CB 3.23Å; F83-D87 WeakPolarHBondContact O-CB 3.22Å; F83-D87 PolarHBondContact O-N 3.38Å; D87-N89 VanDerWaalsContact C-N 3.29Å; D87-N89 PolarHBondContact O-N 3.21Å; D87-N89 PolarHBondContact OD1-OD1 3.36Å; D87-K90 VanDerWaalsContact CG-CA 3.45Å; D87-K90 PolarHBondContact O-N 3.26Å; D87-K90 WeakPolarHBondContact OD1-CA 3.17Å; D87-K90 PolarHBondContact OD1-N 3.19Å; D87-K90 VanDerWaalsContact OD2-CA 3.32Å; D87-K90 WeakPolarHBondContact OD2-CA 3.36Å; D87-D91 PolarHBondContact OD1-N 2.84Å; D87-R92 WeakPolarHBondContact OD2-CA 3.22Å; D87-R92 PolarHBondContact OD2-N 3.46Å
88	K	76	Confident	76.4	Confident	138 Å²	138	73.5 Å²	73.5	60%	0.6	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-35.7	-177.2	-74.3	-169.4	178.6	-176.4	0	111.7	M86 K90 E98	M86-K88 PolarHBondContact O-N 3.17Å; K88-K90 VanDerWaalsContact C-N 3.29Å; K88-E98 PolarHBondContact N-OE1 2.83Å
89	N	80.3	Confident	77.1	Confident	82 Å²	82	71.8 Å²	71.8	44%	0.439	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-8.8	179.7	69.6	25.2	0	0	0	112.6	D87 D91 E98	D87-N89 VanDerWaalsContact C-N 3.29Å; D87-N89 PolarHBondContact O-N 3.21Å; D87-N89 PolarHBondContact OD1-OD1 3.36Å; N89-D91 VanDerWaalsContact CG-CG 3.47Å; N89-D91 VanDerWaalsContact CG-OD2 3.24Å; N89-D91 PolarHBondContact ND2-OD2 2.84Å; N89-D91 PolarHBondContact O-N 3Å; N89-D91 WeakPolarHBondContact OD1-CB 3.48Å; N89-D91 PolarHBondContact OD1-N 3.22Å; N89-D91 PolarHBondContact OD1-OD1 2.88Å; N89-D91 PolarHBondContact OD1-OD2 3.49Å; N89-E98 PolarHBondContact N-OE1 3.38Å; N89-E98 PolarHBondContact ND2-OE1 3.05Å; N89-E98 PolarHBondContact OD1-OE1 2.96Å
90	K	79.4	Confident	77.4	Confident	174 Å²	174	74 Å²	74	76%	0.757	33%	0.326	S	S	*	.			trans	61.1	28.1	-179.7	-59	-179.9	-178.8	174.9	0	113.6	D87 K88 R92	D87-K90 VanDerWaalsContact CG-CA 3.45Å; D87-K90 PolarHBondContact O-N 3.26Å; D87-K90 WeakPolarHBondContact OD1-CA 3.17Å; D87-K90 PolarHBondContact OD1-N 3.19Å; D87-K90 VanDerWaalsContact OD2-CA 3.32Å; D87-K90 WeakPolarHBondContact OD2-CA 3.36Å; K88-K90 VanDerWaalsContact C-N 3.29Å; K90-R92 PolarHBondContact O-N 3.12Å
91	D	84.2	Confident	77.7	Confident	61 Å²	61	71.3 Å²	71.3	33%	0.326	32%	0.32	S	S	.	.	S	Bend	trans	-81.3	2.9	178.2	73	22.2	0	0	0	113.1	D87 N89 T93 R129	D87-D91 PolarHBondContact OD1-N 2.84Å; N89-D91 VanDerWaalsContact CG-CG 3.47Å; N89-D91 VanDerWaalsContact CG-OD2 3.24Å; N89-D91 PolarHBondContact ND2-OD2 2.84Å; N89-D91 PolarHBondContact O-N 3Å; N89-D91 WeakPolarHBondContact OD1-CB 3.48Å; N89-D91 PolarHBondContact OD1-N 3.22Å; N89-D91 PolarHBondContact OD1-OD1 2.88Å; N89-D91 PolarHBondContact OD1-OD2 3.49Å; D91-T93 VanDerWaalsContact CG-OG1 3.32Å; D91-T93 PolarHBondContact O-N 2.77Å; D91-T93 WeakPolarHBondContact OD1-CA 3.12Å; D91-T93 WeakPolarHBondContact OD1-CB 3.24Å; D91-T93 PolarHBondContact OD1-N 3.29Å; D91-T93 PolarHBondContact OD1-OG1 3.39Å; D91-R129 IonicContact OD1-NH1 2.72Å; D91-R129 IonicContact OD2-CZ 2.62Å; D91-R129 IonicContact OD2-NH1 3.28Å; D91-R129 PolarHBondContact OD2-NH1 2.86Å; D91-R129 IonicContact OD2-NH2 3.69Å
92	R	80.6	Confident	77.7	Confident	201 Å²	201	66.9 Å²	66.9	76%	0.758	30%	0.3	S	S	*	.	S	Bend	trans	64.9	21.2	-179.7	-50.2	179	-179.2	-176.8	0.6	113.3	F83 D87 K90	F83-R92 VanDerWaalsContact CZ-O 3.27Å; F83-R92 WeakPolarHBondContact CZ-O 3.47Å; D87-R92 WeakPolarHBondContact OD2-CA 3.22Å; D87-R92 PolarHBondContact OD2-N 3.46Å; K90-R92 PolarHBondContact O-N 3.12Å
93	T	84.6	Confident	77.4	Confident	22 Å²	22	64.9 Å²	64.9	14%	0.135	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	157.1	170	70.6	0	0	0	0	109.1	D91 R129 L130 N131	D91-T93 VanDerWaalsContact CG-OG1 3.32Å; D91-T93 PolarHBondContact O-N 2.77Å; D91-T93 WeakPolarHBondContact OD1-CA 3.12Å; D91-T93 WeakPolarHBondContact OD1-CB 3.24Å; D91-T93 PolarHBondContact OD1-N 3.29Å; D91-T93 PolarHBondContact OD1-OG1 3.39Å; T93-R129 PolarHBondContact OG1-NH1 3.06Å; T93-L130 CarbonylContact C-O 3.57Å; T93-L130 WeakPolarHBondContact CA-O 3.16Å; T93-N131 HydrophobicContact CG2-CB 4.48Å
94	I	82.2	Confident	76.9	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	105.1	172.5	-61	169.5	0	0	0	106.7	F83 M86 E98 L99 R129 L130 F135	F83-I94 HydrophobicContact CD2-CD1 3.37Å; F83-I94 HydrophobicContact CD2-CG1 3.88Å; F83-I94 HydrophobicContact CE2-CD1 3.57Å; F83-I94 HydrophobicContact CE2-CG1 3.61Å; F83-I94 HydrophobicContact CG-CD1 4.18Å; F83-I94 HydrophobicContact CZ-CD1 4.5Å; F83-I94 HydrophobicContact CZ-CG1 4.13Å; M86-I94 HydrophobicContact CB-CD1 3.74Å; M86-I94 HydrophobicContact CB-CG1 3.93Å; M86-I94 HydrophobicContact CB-CG2 4.28Å; M86-I94 HydrophobicContact CE-CD1 4.15Å; M86-I94 HydrophobicContact CG-CD1 4.39Å; M86-I94 HydrophobicContact SD-CD1 3.89Å; M86-I94 HydrophobicContact SD-CG2 4.28Å; I94-E98 HydrophobicContact CG2-CB 4.07Å; I94-L99 HydrophobicContact CG2-CB 3.78Å; I94-L99 HydrophobicContact CG2-CD1 4.28Å; I94-R129 WeakPolarHBondContact O-CA 3.29Å; I94-L130 PolarHBondContact N-O 3.45Å; I94-L130 PolarHBondContact O-N 3.19Å; I94-F135 HydrophobicContact CD1-CB 4.37Å; I94-F135 HydrophobicContact CD1-CD2 3.51Å; I94-F135 HydrophobicContact CD1-CE2 3.89Å; I94-F135 HydrophobicContact CD1-CG 3.88Å
95	S	82.9	Confident	76.2	Confident	20 Å²	20	67.2 Å²	67.2	14%	0.14	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	156.7	172.9	63.8	0	0	0	0	111.6	Q97 E98 L99	S95-Q97 PolarHBondContact O-N 3.16Å; S95-E98 VanDerWaalsContact CB-OE2 3.32Å; S95-E98 WeakPolarHBondContact CB-OE2 3.22Å; S95-E98 PolarHBondContact N-OE2 3.21Å; S95-E98 PolarHBondContact O-N 3.47Å; S95-E98 WeakPolarHBondContact OG-CB 3.37Å; S95-E98 WeakPolarHBondContact OG-CG 3.3Å; S95-E98 PolarHBondContact OG-N 3.05Å; S95-E98 VanDerWaalsContact OG-N 3.14Å; S95-E98 PolarHBondContact OG-OE2 3.23Å; S95-L99 PolarHBondContact O-N 2.89Å
96	K	80.3	Confident	75.3	Confident	69 Å²	69	68.5 Å²	68.5	30%	0.3	32%	0.324	S	S	.	.	H	α-helix	trans	-48	-38	170.8	-67.2	-179.9	-177.7	-172.8	0	112.1	K100 V119	K96-K100 VanDerWaalsContact O-CB 3.27Å; K96-K100 WeakPolarHBondContact O-CB 3.37Å; K96-K100 WeakPolarHBondContact O-CG 3.04Å; K96-K100 PolarHBondContact O-N 3.26Å; K96-V119 HydrophobicContact CD-CB 4.42Å; K96-V119 HydrophobicContact CD-CG1 4.25Å; K96-V119 VanDerWaalsContact CE-CG1 3.41Å; K96-V119 HydrophobicContact CG-CB 3.92Å; K96-V119 HydrophobicContact CG-CG1 3.77Å; K96-V119 HydrophobicContact CG-CG2 3.71Å
97	Q	79.3	Confident	74	Confident	113 Å²	113	70.5 Å²	70.5	53%	0.528	34%	0.338	S	S	.	.	H	α-helix	trans	-73.2	-39.4	-179.7	-168.8	60.6	57	0	0	112.4	S95 K100 N101	S95-Q97 PolarHBondContact O-N 3.16Å; Q97-K100 PolarHBondContact O-N 3.34Å; Q97-N101 PolarHBondContact NE2-OD1 2.96Å; Q97-N101 VanDerWaalsContact O-CB 3.22Å; Q97-N101 WeakPolarHBondContact O-CB 3.08Å; Q97-N101 PolarHBondContact O-N 2.66Å; Q97-N101 PolarHBondContact O-ND2 3.25Å; Q97-N101 PolarHBondContact O-OD1 2.86Å
98	E	81.7	Confident	72.4	Confident	14 Å²	14	75.5 Å²	75.5	7%	0.065	37%	0.365	C	S	.	.	H	α-helix	trans	-65.1	-43.9	174.2	-79.7	159.8	147.9	0	0	111.5	K88 N89 I94 S95 N101 Y102	K88-E98 PolarHBondContact N-OE1 2.83Å; N89-E98 PolarHBondContact N-OE1 3.38Å; N89-E98 PolarHBondContact ND2-OE1 3.05Å; N89-E98 PolarHBondContact OD1-OE1 2.96Å; I94-E98 HydrophobicContact CG2-CB 4.07Å; S95-E98 VanDerWaalsContact CB-OE2 3.32Å; S95-E98 WeakPolarHBondContact CB-OE2 3.22Å; S95-E98 PolarHBondContact N-OE2 3.21Å; S95-E98 PolarHBondContact O-N 3.47Å; S95-E98 WeakPolarHBondContact OG-CB 3.37Å; S95-E98 WeakPolarHBondContact OG-CG 3.3Å; S95-E98 PolarHBondContact OG-N 3.05Å; S95-E98 VanDerWaalsContact OG-N 3.14Å; S95-E98 PolarHBondContact OG-OE2 3.23Å; E98-N101 PolarHBondContact O-N 2.74Å; E98-Y102 WeakPolarHBondContact O-CB 3.49Å; E98-Y102 PolarHBondContact O-N 2.83Å
99	L	75.3	Confident	70.9	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-61	-48.4	175	-167.2	54.5	0	0	0	110.7	M86 I94 S95 N101 Y102 M103 V115 V119 L130	M86-L99 HydrophobicContact SD-CD1 3.55Å; M86-L99 VanDerWaalsContact SD-CD1 3.55Å; I94-L99 HydrophobicContact CG2-CB 3.78Å; I94-L99 HydrophobicContact CG2-CD1 4.28Å; S95-L99 PolarHBondContact O-N 2.89Å; L99-N101 VanDerWaalsContact C-N 3.31Å; L99-N101 PolarHBondContact O-N 2.9Å; L99-Y102 PolarHBondContact O-N 2.84Å; L99-M103 HydrophobicContact CD1-CE 3.53Å; L99-M103 HydrophobicContact CD1-SD 4.25Å; L99-M103 HydrophobicContact CD2-CE 4.33Å; L99-M103 HydrophobicContact CG-CE 3.73Å; L99-M103 HydrophobicContact CG-SD 3.98Å; L99-M103 VanDerWaalsContact O-CB 3.27Å; L99-M103 WeakPolarHBondContact O-CB 3.45Å; L99-M103 WeakPolarHBondContact O-CG 3.48Å; L99-M103 PolarHBondContact O-N 3.39Å; L99-V115 HydrophobicContact CB-CG1 3.92Å; L99-V115 HydrophobicContact CD2-CG1 3.6Å; L99-V115 HydrophobicContact CG-CG1 3.71Å; L99-V119 HydrophobicContact CD2-CG2 3.9Å; L99-L130 HydrophobicContact CD2-CD1 4.18Å
100	K	72.2	Confident	69.3	Low	58 Å²	58	69.8 Å²	69.8	25%	0.252	34%	0.339	S	S	.	.	H	α-helix	trans	-58.6	-41	174.3	-79.1	175.3	-179.9	174.2	0	112.2	K96 Q97 K104 V115 D116	K96-K100 VanDerWaalsContact O-CB 3.27Å; K96-K100 WeakPolarHBondContact O-CB 3.37Å; K96-K100 WeakPolarHBondContact O-CG 3.04Å; K96-K100 PolarHBondContact O-N 3.26Å; Q97-K100 PolarHBondContact O-N 3.34Å; K100-K104 VanDerWaalsContact O-CB 3.28Å; K100-K104 WeakPolarHBondContact O-CB 3.04Å; K100-K104 PolarHBondContact O-N 2.91Å; K100-V115 HydrophobicContact CG-CB 4Å; K100-V115 HydrophobicContact CG-CG1 3.88Å; K100-V115 HydrophobicContact CG-CG2 4.05Å; K100-D116 WeakPolarHBondContact CE-OD2 3.24Å; K100-D116 IonicContact NZ-OD1 3.26Å; K100-D116 PolarHBondContact NZ-OD1 3.04Å; K100-D116 IonicContact NZ-OD2 3.93Å; K100-D116 PolarHBondContact NZ-OD2 2.97Å
101	N	73.8	Confident	67.6	Low	57 Å²	57	66.2 Å²	66.2	31%	0.305	32%	0.323	S	S	.	.	H	α-helix	trans	-71.1	-44.3	-179.2	-75.8	-12	0	0	0	112	Q97 E98 L99 M103 K104 S105	Q97-N101 PolarHBondContact NE2-OD1 2.96Å; Q97-N101 VanDerWaalsContact O-CB 3.22Å; Q97-N101 WeakPolarHBondContact O-CB 3.08Å; Q97-N101 PolarHBondContact O-N 2.66Å; Q97-N101 PolarHBondContact O-ND2 3.25Å; Q97-N101 PolarHBondContact O-OD1 2.86Å; E98-N101 PolarHBondContact O-N 2.74Å; L99-N101 VanDerWaalsContact C-N 3.31Å; L99-N101 PolarHBondContact O-N 2.9Å; N101-M103 VanDerWaalsContact C-N 3.31Å; N101-K104 CarbonylContact O-C 3.55Å; N101-K104 PolarHBondContact O-N 3.23Å; N101-S105 WeakPolarHBondContact O-CB 3.27Å; N101-S105 PolarHBondContact O-N 3.2Å; N101-S105 PolarHBondContact O-OG 3.5Å
102	Y	68.7	Low	65.9	Low	31 Å²	31	67.4 Å²	67.4	12%	0.122	33%	0.334	C	S	.	.	H	α-helix	trans	-64.2	-40	175.9	-177.5	-99.9	0	0	0	111.2	E85 M86 E98 L99 K104 S105 D106 C107	E85-Y102 HydrophobicContact CB-CE2 3.95Å; M86-Y102 HydrophobicContact CB-CD2 4.47Å; M86-Y102 HydrophobicContact CB-CG 4.4Å; M86-Y102 HydrophobicContact CE-CD1 3.95Å; M86-Y102 HydrophobicContact CE-CE1 3.81Å; M86-Y102 VanDerWaalsContact CG-CB 3.42Å; M86-Y102 HydrophobicContact CG-CD1 3.38Å; M86-Y102 HydrophobicContact CG-CD2 3.47Å; M86-Y102 VanDerWaalsContact CG-CD2 3.47Å; M86-Y102 HydrophobicContact CG-CE1 3.92Å; M86-Y102 HydrophobicContact CG-CE2 4.01Å; M86-Y102 HydrophobicContact CG-CG 3.12Å; M86-Y102 HydrophobicContact SD-CD1 3.5Å; M86-Y102 WeakPolarHBondContact SD-CD1 3.27Å; M86-Y102 HydrophobicContact SD-CE1 4.01Å; M86-Y102 HydrophobicContact SD-CG 3.87Å; E98-Y102 WeakPolarHBondContact O-CB 3.49Å; E98-Y102 PolarHBondContact O-N 2.83Å; L99-Y102 PolarHBondContact O-N 2.84Å; Y102-K104 VanDerWaalsContact C-N 3.33Å; Y102-K104 PolarHBondContact O-N 2.85Å; Y102-S105 PolarHBondContact O-N 2.89Å; Y102-D106 HydrophobicContact CD2-CB 4.47Å; Y102-D106 HydrophobicContact CE2-CB 4.19Å; Y102-D106 PolarHBondContact O-N 3.19Å; Y102-C107 PolarHBondContact O-N 2.77Å
103	M	64.3	Low	64.5	Low	13 Å²	13	63.8 Å²	63.8	6%	0.064	33%	0.329	C	S	.	.	H	α-helix	trans	-63.1	-40.6	171.5	-71	172.3	171.6	0	0	111.7	L99 N101 S105 C107 N108 I110 V115 W118	L99-M103 HydrophobicContact CD1-CE 3.53Å; L99-M103 HydrophobicContact CD1-SD 4.25Å; L99-M103 HydrophobicContact CD2-CE 4.33Å; L99-M103 HydrophobicContact CG-CE 3.73Å; L99-M103 HydrophobicContact CG-SD 3.98Å; L99-M103 VanDerWaalsContact O-CB 3.27Å; L99-M103 WeakPolarHBondContact O-CB 3.45Å; L99-M103 WeakPolarHBondContact O-CG 3.48Å; L99-M103 PolarHBondContact O-N 3.39Å; N101-M103 VanDerWaalsContact C-N 3.31Å; M103-S105 PolarHBondContact O-N 2.85Å; M103-C107 CarbonylContact C-O 3.58Å; M103-C107 CarbonylContact O-C 3.46Å; M103-C107 WeakPolarHBondContact O-CA 3.09Å; M103-C107 PolarHBondContact O-N 3.14Å; M103-N108 PolarHBondContact O-N 2.74Å; M103-I110 HydrophobicContact CE-CB 3.88Å; M103-I110 HydrophobicContact CE-CD1 3.76Å; M103-I110 HydrophobicContact CE-CG1 4.37Å; M103-I110 HydrophobicContact CE-CG2 3.64Å; M103-I110 HydrophobicContact CG-CB 4.2Å; M103-I110 HydrophobicContact SD-CB 3.7Å; M103-I110 HydrophobicContact SD-CG2 3.5Å; M103-I110 VanDerWaalsContact SD-CG2 3.5Å; M103-V115 HydrophobicContact CE-CG2 4.45Å; M103-V115 HydrophobicContact SD-CG2 3.32Å; M103-V115 WeakPolarHBondContact SD-CG2 2.75Å; M103-W118 HydrophobicContact CE-CE3 3.81Å; M103-W118 HydrophobicContact CE-CH2 4.45Å; M103-W118 HydrophobicContact CE-CZ3 3.39Å
104	K	64.1	Low	63.4	Low	169 Å²	169	65.4 Å²	65.4	74%	0.735	34%	0.335	S	S	*	.	H	α-helix	trans	-67.5	-35.2	175.8	-169	175.5	-179.2	-179	0	113.2	K100 N101 Y102	K100-K104 VanDerWaalsContact O-CB 3.28Å; K100-K104 WeakPolarHBondContact O-CB 3.04Å; K100-K104 PolarHBondContact O-N 2.91Å; N101-K104 CarbonylContact O-C 3.55Å; N101-K104 PolarHBondContact O-N 3.23Å; Y102-K104 VanDerWaalsContact C-N 3.33Å; Y102-K104 PolarHBondContact O-N 2.85Å
105	S	60.9	Low	62.6	Low	81 Å²	81	65.4 Å²	65.4	57%	0.566	34%	0.335	S	S	*	.	H	α-helix	trans	-88.8	-42.6	-173.1	-70	0	0	0	0	113.8	N101 Y102 M103	N101-S105 WeakPolarHBondContact O-CB 3.27Å; N101-S105 PolarHBondContact O-N 3.2Å; N101-S105 PolarHBondContact O-OG 3.5Å; Y102-S105 PolarHBondContact O-N 2.89Å; M103-S105 PolarHBondContact O-N 2.85Å
106	D	55.2	Low	62.1	Low	116 Å²	116	67.5 Å²	67.5	62%	0.62	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	-26.7	-171.7	-73.4	-49.6	0	0	0	113.3	Y102	Y102-D106 HydrophobicContact CD2-CB 4.47Å; Y102-D106 HydrophobicContact CE2-CB 4.19Å; Y102-D106 PolarHBondContact O-N 3.19Å
107	C	46.6	Very low	61.7	Low	49 Å²	49	70.1 Å²	70.1	33%	0.331	36%	0.358	S	S	.	.			trans	-123	70.8	-176.9	-59.9	0	0	0	0	112.2	Y102 M103 F109	Y102-C107 PolarHBondContact O-N 2.77Å; M103-C107 CarbonylContact C-O 3.58Å; M103-C107 CarbonylContact O-C 3.46Å; M103-C107 WeakPolarHBondContact O-CA 3.09Å; M103-C107 PolarHBondContact O-N 3.14Å; C107-F109 PolarHBondContact O-N 3.39Å
108	N	48	Very low	61.3	Low	117 Å²	117	65.7 Å²	65.7	63%	0.626	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	10.3	-173.1	-155.1	31.1	0	0	0	117.3	M103	M103-N108 PolarHBondContact O-N 2.74Å
109	F	45.2	Very low	61.1	Low	50 Å²	50	65 Å²	65	22%	0.219	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141	8.3	-170	-83.4	-68.9	0	0	0	118.4	V6 F34 F36 C107 F111	V6-F109 HydrophobicContact CG2-CB 3.92Å; V6-F109 HydrophobicContact CG2-CD1 4.37Å; V6-F109 HydrophobicContact CG2-CD2 3.79Å; V6-F109 HydrophobicContact CG2-CE2 4.5Å; V6-F109 HydrophobicContact CG2-CG 3.71Å; F34-F109 HydrophobicContact CB-CE1 4.41Å; F34-F109 HydrophobicContact CB-CE2 4.39Å; F34-F109 HydrophobicContact CB-CZ 3.88Å; F34-F109 AromaticContact CD1-CD1 3.87Å; F34-F109 HydrophobicContact CD1-CD1 3.87Å; F34-F109 AromaticContact CD1-CE1 3.15Å; F34-F109 HydrophobicContact CD1-CE1 3.15Å; F34-F109 HydrophobicContact CD1-CE2 4.48Å; F34-F109 AromaticContact CD1-CZ 3.51Å; F34-F109 HydrophobicContact CD1-CZ 3.51Å; F34-F109 HydrophobicContact CE1-CD1 4.02Å; F34-F109 AromaticContact CE1-CE1 3.65Å; F34-F109 HydrophobicContact CE1-CE1 3.65Å; F34-F109 HydrophobicContact CE1-CZ 4.42Å; F34-F109 HydrophobicContact CG-CE1 4.12Å; F34-F109 HydrophobicContact CG-CZ 4.1Å; F36-F109 HydrophobicContact CE2-CD2 4.08Å; F36-F109 AromaticContact CE2-CE2 3.63Å; F36-F109 HydrophobicContact CE2-CE2 3.63Å; F36-F109 HydrophobicContact CE2-CZ 4.37Å; F36-F109 AromaticContact CZ-CD2 3.83Å; F36-F109 HydrophobicContact CZ-CD2 3.83Å; F36-F109 AromaticContact CZ-CE2 3.57Å; F36-F109 HydrophobicContact CZ-CE2 3.57Å; C107-F109 PolarHBondContact O-N 3.39Å; F109-F111 PolarHBondContact O-N 3.48Å
110	I	45.6	Very low	61.3	Low	50 Å²	50	71.1 Å²	71.1	26%	0.256	37%	0.365	S	S	.	.	S	Bend	trans	-91.5	100.6	161.5	-65.9	159.1	0	0	0	107	M103 V115 W118	M103-I110 HydrophobicContact CE-CB 3.88Å; M103-I110 HydrophobicContact CE-CD1 3.76Å; M103-I110 HydrophobicContact CE-CG1 4.37Å; M103-I110 HydrophobicContact CE-CG2 3.64Å; M103-I110 HydrophobicContact CG-CB 4.2Å; M103-I110 HydrophobicContact SD-CB 3.7Å; M103-I110 HydrophobicContact SD-CG2 3.5Å; M103-I110 VanDerWaalsContact SD-CG2 3.5Å; I110-V115 HydrophobicContact CG2-CG2 4.29Å; I110-W118 HydrophobicContact CB-CH2 3.86Å; I110-W118 HydrophobicContact CB-CZ3 4.09Å; I110-W118 HydrophobicContact CD1-CH2 3.47Å; I110-W118 VanDerWaalsContact CD1-CH2 3.47Å; I110-W118 HydrophobicContact CD1-CZ3 3.62Å; I110-W118 HydrophobicContact CG1-CH2 3.48Å; I110-W118 VanDerWaalsContact CG1-CH2 3.48Å; I110-W118 HydrophobicContact CG1-CZ2 4.47Å; I110-W118 HydrophobicContact CG1-CZ3 3.98Å; I110-W118 HydrophobicContact CG2-CD2 4.49Å; I110-W118 HydrophobicContact CG2-CE3 3.9Å; I110-W118 HydrophobicContact CG2-CH2 3.1Å; I110-W118 HydrophobicContact CG2-CZ2 3.7Å; I110-W118 HydrophobicContact CG2-CZ3 3.22Å
111	F	43.8	Very low	61.6	Low	98 Å²	98	74.2 Å²	74.2	43%	0.43	38%	0.379	S	S	.	.			trans	-45.8	131	179.9	-85.8	-98.3	0	0	0	109.8	F109 I113 Q114	F109-F111 PolarHBondContact O-N 3.48Å; F111-I113 HydrophobicContact CB-CB 4.45Å; F111-I113 PolarHBondContact O-N 3.12Å; F111-Q114 PolarHBondContact O-N 2.94Å
112	P	48.3	Very low	61.8	Low	87 Å²	87	72.2 Å²	72.2	57%	0.565	37%	0.367	S	S	*	.	H	α-helix	trans	-49.4	-24.8	177.2	-27	32.2	0	0	0	113.7	Q114	P112-Q114 VanDerWaalsContact C-N 3.34Å
113	I	50.6	Low	62.6	Low	125 Å²	125	71.4 Å²	71.4	64%	0.641	37%	0.365	S	S	*	.	H	α-helix	trans	-64	-33	178.2	-67.4	169.6	0	0	0	112.7	F111	F111-I113 HydrophobicContact CB-CB 4.45Å; F111-I113 PolarHBondContact O-N 3.12Å
114	Q	62.3	Low	63.4	Low	56 Å²	56	77.2 Å²	77.2	26%	0.262	39%	0.39	S	S	.	.	H	α-helix	trans	-89.7	-20.6	-178	-71.5	-164.7	-6.3	0	0	113.2	F111 P112 D116 Q117 W118	F111-Q114 PolarHBondContact O-N 2.94Å; P112-Q114 VanDerWaalsContact C-N 3.34Å; Q114-D116 VanDerWaalsContact C-N 3.26Å; Q114-D116 PolarHBondContact O-N 2.77Å; Q114-Q117 PolarHBondContact O-N 3Å; Q114-Q117 VanDerWaalsContact O-N 3.12Å; Q114-W118 HydrophobicContact CB-CD2 4.27Å; Q114-W118 HydrophobicContact CB-CZ2 4.04Å; Q114-W118 WeakPolarHBondContact O-CB 2.92Å; Q114-W118 PolarHBondContact O-N 2.93Å
115	V	66.3	Low	64.3	Low	0 Å²	0	73 Å²	73	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-58.9	-41.4	179.9	-172.7	0	0	0	0	111.5	L99 K100 M103 I110 W118 V119	L99-V115 HydrophobicContact CB-CG1 3.92Å; L99-V115 HydrophobicContact CD2-CG1 3.6Å; L99-V115 HydrophobicContact CG-CG1 3.71Å; K100-V115 HydrophobicContact CG-CB 4Å; K100-V115 HydrophobicContact CG-CG1 3.88Å; K100-V115 HydrophobicContact CG-CG2 4.05Å; M103-V115 HydrophobicContact CE-CG2 4.45Å; M103-V115 HydrophobicContact SD-CG2 3.32Å; M103-V115 WeakPolarHBondContact SD-CG2 2.75Å; I110-V115 HydrophobicContact CG2-CG2 4.29Å; V115-W118 PolarHBondContact O-N 3.1Å; V115-V119 HydrophobicContact CG1-CG2 4.25Å; V115-V119 VanDerWaalsContact O-CG2 3.23Å; V115-V119 WeakPolarHBondContact O-CG2 3.2Å; V115-V119 PolarHBondContact O-N 2.84Å
116	D	70.9	Confident	65.3	Low	63 Å²	63	77.8 Å²	77.8	34%	0.337	39%	0.386	S	S	.	.	H	α-helix	trans	-64.9	-43	177.5	-69.2	-64.4	0	0	0	111.7	K100 Q114 W118 D120	K100-D116 WeakPolarHBondContact CE-OD2 3.24Å; K100-D116 IonicContact NZ-OD1 3.26Å; K100-D116 PolarHBondContact NZ-OD1 3.04Å; K100-D116 IonicContact NZ-OD2 3.93Å; K100-D116 PolarHBondContact NZ-OD2 2.97Å; Q114-D116 VanDerWaalsContact C-N 3.26Å; Q114-D116 PolarHBondContact O-N 2.77Å; D116-W118 VanDerWaalsContact C-N 3.3Å; D116-W118 PolarHBondContact O-N 3.34Å; D116-D120 VanDerWaalsContact O-CB 3.26Å; D116-D120 WeakPolarHBondContact O-CB 3.33Å; D116-D120 PolarHBondContact O-N 2.95Å
117	Q	71.6	Confident	66.6	Low	125 Å²	125	75.9 Å²	75.9	58%	0.584	38%	0.376	S	S	*	.	H	α-helix	trans	-65.2	-35.2	175.8	-66.6	-176.4	-30.7	0	0	112.3	Q114 K121	Q114-Q117 PolarHBondContact O-N 3Å; Q114-Q117 VanDerWaalsContact O-N 3.12Å; Q117-K121 VanDerWaalsContact O-CB 3.24Å; Q117-K121 WeakPolarHBondContact O-CB 3.44Å; Q117-K121 PolarHBondContact O-N 2.87Å
118	W	72.6	Confident	68.3	Low	20 Å²	20	74.7 Å²	74.7	8%	0.076	37%	0.372	C	S	.	.	H	α-helix	trans	-72.9	-48.3	-179.5	-64.9	-5.1	0	0	0	111.1	M103 I110 Q114 V115 D116 D120 K121 Y122 F138	M103-W118 HydrophobicContact CE-CE3 3.81Å; M103-W118 HydrophobicContact CE-CH2 4.45Å; M103-W118 HydrophobicContact CE-CZ3 3.39Å; I110-W118 HydrophobicContact CB-CH2 3.86Å; I110-W118 HydrophobicContact CB-CZ3 4.09Å; I110-W118 HydrophobicContact CD1-CH2 3.47Å; I110-W118 VanDerWaalsContact CD1-CH2 3.47Å; I110-W118 HydrophobicContact CD1-CZ3 3.62Å; I110-W118 HydrophobicContact CG1-CH2 3.48Å; I110-W118 VanDerWaalsContact CG1-CH2 3.48Å; I110-W118 HydrophobicContact CG1-CZ2 4.47Å; I110-W118 HydrophobicContact CG1-CZ3 3.98Å; I110-W118 HydrophobicContact CG2-CD2 4.49Å; I110-W118 HydrophobicContact CG2-CE3 3.9Å; I110-W118 HydrophobicContact CG2-CH2 3.1Å; I110-W118 HydrophobicContact CG2-CZ2 3.7Å; I110-W118 HydrophobicContact CG2-CZ3 3.22Å; Q114-W118 HydrophobicContact CB-CD2 4.27Å; Q114-W118 HydrophobicContact CB-CZ2 4.04Å; Q114-W118 WeakPolarHBondContact O-CB 2.92Å; Q114-W118 PolarHBondContact O-N 2.93Å; V115-W118 PolarHBondContact O-N 3.1Å; D116-W118 VanDerWaalsContact C-N 3.3Å; D116-W118 PolarHBondContact O-N 3.34Å; W118-D120 VanDerWaalsContact C-N 3.29Å; W118-D120 PolarHBondContact O-N 3.11Å; W118-K121 PolarHBondContact O-N 3.1Å; W118-K121 VanDerWaalsContact O-N 3.11Å; W118-Y122 WeakPolarHBondContact O-CD2 3.24Å; W118-Y122 PolarHBondContact O-N 2.91Å; W118-F138 AromaticContact CD2-CE2 3.98Å; W118-F138 HydrophobicContact CD2-CE2 3.98Å; W118-F138 AromaticContact CE3-CE2 3.45Å; W118-F138 HydrophobicContact CE3-CE2 3.45Å; W118-F138 VanDerWaalsContact CE3-CE2 3.45Å; W118-F138 AromaticContact CE3-CZ 3.69Å; W118-F138 HydrophobicContact CE3-CZ 3.69Å; W118-F138 HydrophobicContact CG-CE2 4.47Å; W118-F138 HydrophobicContact CH2-CE2 4.38Å; W118-F138 HydrophobicContact CH2-CZ 4.4Å; W118-F138 AromaticContact CZ3-CE2 3.61Å; W118-F138 HydrophobicContact CZ3-CE2 3.61Å; W118-F138 AromaticContact CZ3-CZ 3.49Å; W118-F138 HydrophobicContact CZ3-CZ 3.49Å; W118-F138 VanDerWaalsContact CZ3-CZ 3.49Å
119	V	76.8	Confident	70	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-57.5	-49.8	174.5	178.6	0	0	0	0	108.4	K96 L99 V115 K121 Y122 D123 L130	K96-V119 HydrophobicContact CD-CB 4.42Å; K96-V119 HydrophobicContact CD-CG1 4.25Å; K96-V119 VanDerWaalsContact CE-CG1 3.41Å; K96-V119 HydrophobicContact CG-CB 3.92Å; K96-V119 HydrophobicContact CG-CG1 3.77Å; K96-V119 HydrophobicContact CG-CG2 3.71Å; L99-V119 HydrophobicContact CD2-CG2 3.9Å; V115-V119 HydrophobicContact CG1-CG2 4.25Å; V115-V119 VanDerWaalsContact O-CG2 3.23Å; V115-V119 WeakPolarHBondContact O-CG2 3.2Å; V115-V119 PolarHBondContact O-N 2.84Å; V119-K121 PolarHBondContact O-N 3.41Å; V119-K121 VanDerWaalsContact O-N 3.11Å; V119-Y122 PolarHBondContact O-N 2.84Å; V119-D123 HydrophobicContact CG1-CB 4.04Å; V119-D123 WeakPolarHBondContact O-CA 3.35Å; V119-D123 WeakPolarHBondContact O-CB 3.44Å; V119-D123 PolarHBondContact O-N 3.5Å; V119-L130 HydrophobicContact CG2-CD1 4.41Å; V119-L130 HydrophobicContact CG2-CG 4.43Å
120	D	79.7	Confident	71.8	Confident	128 Å²	128	70.8 Å²	70.8	68%	0.684	35%	0.347	S	S	*	.	H	α-helix	trans	-58.8	-29.5	178.7	-160.7	57.6	0	0	0	114.4	D116 W118	D116-D120 VanDerWaalsContact O-CB 3.26Å; D116-D120 WeakPolarHBondContact O-CB 3.33Å; D116-D120 PolarHBondContact O-N 2.95Å; W118-D120 VanDerWaalsContact C-N 3.29Å; W118-D120 PolarHBondContact O-N 3.11Å
121	K	78.7	Confident	73.6	Confident	123 Å²	123	70.2 Å²	70.2	54%	0.535	34%	0.344	S	S	.	.	H	α-helix	trans	-79.2	-39.1	178.9	-171.5	-174.7	179.2	-151.1	0	113.5	Q117 W118 V119	Q117-K121 VanDerWaalsContact O-CB 3.24Å; Q117-K121 WeakPolarHBondContact O-CB 3.44Å; Q117-K121 PolarHBondContact O-N 2.87Å; W118-K121 PolarHBondContact O-N 3.1Å; W118-K121 VanDerWaalsContact O-N 3.11Å; V119-K121 PolarHBondContact O-N 3.41Å; V119-K121 VanDerWaalsContact O-N 3.11Å
122	Y	78.2	Confident	75.3	Confident	16 Å²	16	68.8 Å²	68.8	6%	0.063	34%	0.336	C	S	.	.	H	α-helix	trans	-104.6	-13	-173.5	-62.2	-82.2	0	0	0	113.8	W118 V119 K124 E134 E137 F138 Q141	W118-Y122 WeakPolarHBondContact O-CD2 3.24Å; W118-Y122 PolarHBondContact O-N 2.91Å; V119-Y122 PolarHBondContact O-N 2.84Å; Y122-K124 PolarHBondContact O-N 2.81Å; Y122-E134 WeakPolarHBondContact O-CB 3.14Å; Y122-E134 VanDerWaalsContact O-CG 3.27Å; Y122-E134 WeakPolarHBondContact O-CG 3.3Å; Y122-E137 HydrophobicContact CD1-CB 4.49Å; Y122-F138 HydrophobicContact CD1-CB 4.17Å; Y122-F138 HydrophobicContact CD2-CB 4.01Å; Y122-F138 AromaticContact CD2-CD2 3.84Å; Y122-F138 HydrophobicContact CD2-CD2 3.84Å; Y122-F138 HydrophobicContact CD2-CG 4.39Å; Y122-F138 HydrophobicContact CE1-CB 4.42Å; Y122-F138 HydrophobicContact CE2-CB 4.3Å; Y122-F138 AromaticContact CE2-CD2 3.63Å; Y122-F138 HydrophobicContact CE2-CD2 3.63Å; Y122-F138 HydrophobicContact CE2-CG 4.46Å; Y122-F138 HydrophobicContact CG-CB 3.96Å; Y122-Q141 PolarHBondContact OH-OE1 3.1Å
123	D	84.5	Confident	76.7	Confident	14 Å²	14	71.6 Å²	71.6	8%	0.075	34%	0.342	C	S	.	.			trans	-71	79.3	171.3	179.7	9.3	0	0	0	109.4	V119 N125 K126 D127 G128 L130	V119-D123 HydrophobicContact CG1-CB 4.04Å; V119-D123 WeakPolarHBondContact O-CA 3.35Å; V119-D123 WeakPolarHBondContact O-CB 3.44Å; V119-D123 PolarHBondContact O-N 3.5Å; D123-N125 VanDerWaalsContact C-N 3.31Å; D123-N125 PolarHBondContact OD1-OD1 3.01Å; D123-K126 VanDerWaalsContact CG-CA 3.47Å; D123-K126 PolarHBondContact O-N 2.78Å; D123-K126 WeakPolarHBondContact OD1-CA 3.37Å; D123-K126 PolarHBondContact OD1-N 2.65Å; D123-K126 WeakPolarHBondContact OD2-CA 3.3Å; D123-D127 PolarHBondContact OD1-N 2.94Å; D123-D127 PolarHBondContact OD2-N 2.92Å; D123-G128 WeakPolarHBondContact OD2-CA 3.36Å; D123-G128 PolarHBondContact OD2-N 3.26Å; D123-L130 HydrophobicContact CB-CD2 4.25Å
124	K	81.3	Confident	78.2	Confident	134 Å²	134	65.9 Å²	65.9	58%	0.583	31%	0.313	S	S	*	.	S	Bend	trans	-69.8	-34.7	-177.9	-72.5	-177.5	176.3	177.7	0	110.7	Y122 K126 E134 E137	Y122-K124 PolarHBondContact O-N 2.81Å; K124-K126 VanDerWaalsContact C-N 3.29Å; K124-E134 PolarHBondContact N-OE1 3Å; K124-E137 WeakPolarHBondContact CE-OE1 3.43Å; K124-E137 VanDerWaalsContact CE-OE2 3.23Å; K124-E137 WeakPolarHBondContact CE-OE2 3.46Å; K124-E137 IonicContact NZ-OE1 3.89Å; K124-E137 PolarHBondContact NZ-OE1 2.99Å; K124-E137 IonicContact NZ-OE2 3.63Å; K124-E137 PolarHBondContact NZ-OE2 3.49Å
125	N	83	Confident	79	Confident	80 Å²	80	63.3 Å²	63.3	43%	0.428	30%	0.301	S	S	.	.	S	Bend	trans	-81.3	-9.6	179.1	75.6	6.3	0	0	0	113	D123 D127 E134	D123-N125 VanDerWaalsContact C-N 3.31Å; D123-N125 PolarHBondContact OD1-OD1 3.01Å; N125-D127 VanDerWaalsContact ND2-CG 3.35Å; N125-D127 PolarHBondContact ND2-OD2 2.85Å; N125-D127 PolarHBondContact O-N 3.21Å; N125-D127 WeakPolarHBondContact OD1-CB 3.44Å; N125-D127 PolarHBondContact OD1-N 3.31Å; N125-D127 PolarHBondContact OD1-OD1 3.16Å; N125-D127 PolarHBondContact OD1-OD2 3.37Å; N125-E134 PolarHBondContact N-OE1 2.98Å; N125-E134 VanDerWaalsContact N-OE1 3.12Å
126	K	81.2	Confident	79.3	Confident	183 Å²	183	65.4 Å²	65.4	80%	0.796	31%	0.312	S	S	*	.			trans	58.7	31.6	179.6	-59.4	-172.4	177.2	-172.5	0	113.5	D123 K124 G128	D123-K126 VanDerWaalsContact CG-CA 3.47Å; D123-K126 PolarHBondContact O-N 2.78Å; D123-K126 WeakPolarHBondContact OD1-CA 3.37Å; D123-K126 PolarHBondContact OD1-N 2.65Å; D123-K126 WeakPolarHBondContact OD2-CA 3.3Å; K124-K126 VanDerWaalsContact C-N 3.29Å; K126-G128 VanDerWaalsContact C-N 3.3Å
127	D	84.2	Confident	79.3	Confident	75 Å²	75	66.1 Å²	66.1	40%	0.401	31%	0.313	S	S	.	.	S	Bend	trans	-86.4	-4.2	178.4	77.5	13.6	0	0	0	113.1	D123 N125 R129	D123-D127 PolarHBondContact OD1-N 2.94Å; D123-D127 PolarHBondContact OD2-N 2.92Å; N125-D127 VanDerWaalsContact ND2-CG 3.35Å; N125-D127 PolarHBondContact ND2-OD2 2.85Å; N125-D127 PolarHBondContact O-N 3.21Å; N125-D127 WeakPolarHBondContact OD1-CB 3.44Å; N125-D127 PolarHBondContact OD1-N 3.31Å; N125-D127 PolarHBondContact OD1-OD1 3.16Å; N125-D127 PolarHBondContact OD1-OD2 3.37Å; D127-R129 VanDerWaalsContact OD1-CA 3.27Å; D127-R129 WeakPolarHBondContact OD1-CA 3.42Å; D127-R129 WeakPolarHBondContact OD1-CB 3.46Å; D127-R129 PolarHBondContact OD1-N 2.94Å
128	G	80.9	Confident	79.3	Confident	24 Å²	24	61 Å²	61	25%	0.247	29%	0.288	C	S	.	.	S	Bend	trans	83.1	8.5	-178.3	0	0	0	0	0	114.1	D123 K126	D123-G128 WeakPolarHBondContact OD2-CA 3.36Å; D123-G128 PolarHBondContact OD2-N 3.26Å; K126-G128 VanDerWaalsContact C-N 3.3Å
129	R	83.7	Confident	79	Confident	86 Å²	86	61 Å²	61	33%	0.325	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	161.8	-177.4	-55.6	152.3	166.7	-94.2	4.1	108.8	D91 T93 I94 D127	D91-R129 IonicContact OD1-NH1 2.72Å; D91-R129 IonicContact OD2-CZ 2.62Å; D91-R129 IonicContact OD2-NH1 3.28Å; D91-R129 PolarHBondContact OD2-NH1 2.86Å; D91-R129 IonicContact OD2-NH2 3.69Å; T93-R129 PolarHBondContact OG1-NH1 3.06Å; I94-R129 WeakPolarHBondContact O-CA 3.29Å; D127-R129 VanDerWaalsContact OD1-CA 3.27Å; D127-R129 WeakPolarHBondContact OD1-CA 3.42Å; D127-R129 WeakPolarHBondContact OD1-CB 3.46Å; D127-R129 PolarHBondContact OD1-N 2.94Å
130	L	82.8	Confident	78.3	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	112.1	172.7	-62.1	178.5	0	0	0	108.7	T93 I94 L99 V119 D123 E134	T93-L130 CarbonylContact C-O 3.57Å; T93-L130 WeakPolarHBondContact CA-O 3.16Å; I94-L130 PolarHBondContact N-O 3.45Å; I94-L130 PolarHBondContact O-N 3.19Å; L99-L130 HydrophobicContact CD2-CD1 4.18Å; V119-L130 HydrophobicContact CG2-CD1 4.41Å; V119-L130 HydrophobicContact CG2-CG 4.43Å; D123-L130 HydrophobicContact CB-CD2 4.25Å; L130-E134 WeakPolarHBondContact CA-OE2 3.36Å; L130-E134 HydrophobicContact CB-CB 4.31Å; L130-E134 HydrophobicContact CD2-CB 4Å
131	N	84.1	Confident	77.3	Confident	38 Å²	38	63.2 Å²	63.2	20%	0.203	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	174	169.7	71.5	56.8	0	0	0	110.6	T93 E133 E134 F135	T93-N131 HydrophobicContact CG2-CB 4.48Å; N131-E133 VanDerWaalsContact C-N 3.29Å; N131-E133 PolarHBondContact O-N 3.25Å; N131-E133 WeakPolarHBondContact OD1-CA 3.02Å; N131-E133 WeakPolarHBondContact OD1-CB 3.39Å; N131-E133 PolarHBondContact OD1-N 3.02Å; N131-E134 VanDerWaalsContact CG-OE2 3.23Å; N131-E134 PolarHBondContact N-OE2 2.97Å; N131-E134 WeakPolarHBondContact ND2-CG 3.22Å; N131-E134 PolarHBondContact ND2-OE2 3.3Å; N131-E134 PolarHBondContact O-N 3.07Å; N131-E134 PolarHBondContact OD1-N 3.11Å; N131-F135 VanDerWaalsContact O-CB 3.32Å; N131-F135 WeakPolarHBondContact O-CB 3.45Å; N131-F135 PolarHBondContact O-N 3.46Å
132	Y	78.9	Confident	76	Confident	67 Å²	67	62.9 Å²	62.9	26%	0.263	30%	0.301	S	S	.	.	H	α-helix	trans	-57.1	-42	-177.8	-177.5	-103.1	0	0	0	112.5	C76 R80 F83 F135 I136	C76-Y132 PolarHBondContact O-OH 2.77Å; R80-Y132 HydrophobicContact CG-CE2 3.71Å; R80-Y132 WeakPolarHBondContact CG-OH 3.4Å; F83-Y132 HydrophobicContact CB-CD2 4.19Å; F83-Y132 HydrophobicContact CB-CE2 4.38Å; F83-Y132 HydrophobicContact CD1-CD2 4.15Å; F83-Y132 AromaticContact CD2-CD2 3.94Å; F83-Y132 HydrophobicContact CD2-CD2 3.94Å; F83-Y132 HydrophobicContact CE2-CD2 4.39Å; F83-Y132 AromaticContact CG-CD2 3.82Å; F83-Y132 HydrophobicContact CG-CD2 3.82Å; F83-Y132 HydrophobicContact CG-CE2 4.48Å; Y132-F135 PolarHBondContact O-N 2.91Å; Y132-I136 HydrophobicContact CD1-CG1 4.05Å; Y132-I136 HydrophobicContact CD2-CG1 4.44Å; Y132-I136 HydrophobicContact CE1-CD1 4.06Å; Y132-I136 HydrophobicContact CE1-CG1 3.73Å; Y132-I136 HydrophobicContact CE2-CD1 3.92Å; Y132-I136 HydrophobicContact CE2-CG1 4.12Å; Y132-I136 HydrophobicContact CG-CG1 4.41Å; Y132-I136 WeakPolarHBondContact O-CG1 3.27Å; Y132-I136 PolarHBondContact O-N 3.36Å
133	E	79.1	Confident	74.4	Confident	146 Å²	146	66 Å²	66	68%	0.682	32%	0.318	S	S	*	.	H	α-helix	trans	-66.8	-44.2	-179.3	-61.2	177.4	174.5	0	0	111.3	N131 F135 I136 E137	N131-E133 VanDerWaalsContact C-N 3.29Å; N131-E133 PolarHBondContact O-N 3.25Å; N131-E133 WeakPolarHBondContact OD1-CA 3.02Å; N131-E133 WeakPolarHBondContact OD1-CB 3.39Å; N131-E133 PolarHBondContact OD1-N 3.02Å; E133-F135 VanDerWaalsContact C-N 3.33Å; E133-F135 PolarHBondContact O-N 3.24Å; E133-I136 PolarHBondContact O-N 2.92Å; E133-E137 PolarHBondContact O-N 3.33Å
134	E	82	Confident	73.9	Confident	6 Å²	6	68.7 Å²	68.7	3%	0.028	33%	0.33	C	S	.	.	H	α-helix	trans	-64.8	-37.6	176.5	-66.3	169	151.5	0	0	111.9	Y122 K124 N125 L130 N131 E137 F138	Y122-E134 WeakPolarHBondContact O-CB 3.14Å; Y122-E134 VanDerWaalsContact O-CG 3.27Å; Y122-E134 WeakPolarHBondContact O-CG 3.3Å; K124-E134 PolarHBondContact N-OE1 3Å; N125-E134 PolarHBondContact N-OE1 2.98Å; N125-E134 VanDerWaalsContact N-OE1 3.12Å; L130-E134 WeakPolarHBondContact CA-OE2 3.36Å; L130-E134 HydrophobicContact CB-CB 4.31Å; L130-E134 HydrophobicContact CD2-CB 4Å; N131-E134 VanDerWaalsContact CG-OE2 3.23Å; N131-E134 PolarHBondContact N-OE2 2.97Å; N131-E134 WeakPolarHBondContact ND2-CG 3.22Å; N131-E134 PolarHBondContact ND2-OE2 3.3Å; N131-E134 PolarHBondContact O-N 3.07Å; N131-E134 PolarHBondContact OD1-N 3.11Å; E134-E137 PolarHBondContact O-N 2.77Å; E134-F138 WeakPolarHBondContact O-CB 3.48Å; E134-F138 PolarHBondContact O-N 3Å
135	F	77.8	Confident	73.5	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.009	32%	0.317	C	S	.	.	H	α-helix	trans	-66	-40.2	173.3	178	-101.7	0	0	0	111.8	L79 I82 F83 M86 I94 N131 Y132 E133 F138 V139	L79-F135 HydrophobicContact CD2-CE1 4.35Å; I82-F135 HydrophobicContact CG2-CE1 4.23Å; I82-F135 HydrophobicContact CG2-CZ 3.65Å; F83-F135 HydrophobicContact CB-CD1 4.18Å; F83-F135 HydrophobicContact CB-CE1 4.18Å; F83-F135 HydrophobicContact CD2-CB 3.88Å; F83-F135 AromaticContact CD2-CD1 3.68Å; F83-F135 HydrophobicContact CD2-CD1 3.68Å; F83-F135 HydrophobicContact CD2-CE1 4.4Å; F83-F135 AromaticContact CD2-CG 3.77Å; F83-F135 HydrophobicContact CD2-CG 3.77Å; F83-F135 HydrophobicContact CE2-CB 4.03Å; F83-F135 HydrophobicContact CE2-CG 4.37Å; F83-F135 HydrophobicContact CG-CD1 4.43Å; M86-F135 HydrophobicContact CE-CD2 4.38Å; M86-F135 HydrophobicContact CE-CE1 4.41Å; M86-F135 HydrophobicContact CE-CE2 3.29Å; M86-F135 HydrophobicContact CE-CZ 3.31Å; M86-F135 HydrophobicContact SD-CE2 4.15Å; I94-F135 HydrophobicContact CD1-CB 4.37Å; I94-F135 HydrophobicContact CD1-CD2 3.51Å; I94-F135 HydrophobicContact CD1-CE2 3.89Å; I94-F135 HydrophobicContact CD1-CG 3.88Å; N131-F135 VanDerWaalsContact O-CB 3.32Å; N131-F135 WeakPolarHBondContact O-CB 3.45Å; N131-F135 PolarHBondContact O-N 3.46Å; Y132-F135 PolarHBondContact O-N 2.91Å; E133-F135 VanDerWaalsContact C-N 3.33Å; E133-F135 PolarHBondContact O-N 3.24Å; F135-F138 AromaticContact CD2-CD1 3.93Å; F135-F138 HydrophobicContact CD2-CD1 3.93Å; F135-F138 AromaticContact CE2-CD1 3.94Å; F135-F138 HydrophobicContact CE2-CD1 3.94Å; F135-F138 HydrophobicContact CE2-CE1 4.17Å; F135-F138 WeakPolarHBondContact O-CB 3.26Å; F135-F138 PolarHBondContact O-N 3.15Å; F135-V139 HydrophobicContact CD1-CG2 4.12Å; F135-V139 HydrophobicContact CD2-CG2 4.14Å; F135-V139 HydrophobicContact CE1-CG2 3.58Å; F135-V139 HydrophobicContact CE2-CG2 3.58Å; F135-V139 HydrophobicContact CG-CG2 4.38Å; F135-V139 HydrophobicContact CZ-CG2 3.26Å; F135-V139 WeakPolarHBondContact O-CG2 3.2Å; F135-V139 PolarHBondContact O-N 3.24Å
136	I	72.9	Confident	73	Confident	44 Å²	44	64.4 Å²	64.4	23%	0.226	31%	0.311	C	S	.	.	H	α-helix	trans	-64.8	-42.9	175.7	-65.6	-70.3	0	0	0	110.1	L79 Y132 E133 F138 V139 S140	L79-I136 HydrophobicContact CB-CD1 3.37Å; L79-I136 HydrophobicContact CD1-CD1 3.24Å; L79-I136 HydrophobicContact CD2-CD1 4.29Å; L79-I136 HydrophobicContact CG-CD1 3.73Å; Y132-I136 HydrophobicContact CD1-CG1 4.05Å; Y132-I136 HydrophobicContact CD2-CG1 4.44Å; Y132-I136 HydrophobicContact CE1-CD1 4.06Å; Y132-I136 HydrophobicContact CE1-CG1 3.73Å; Y132-I136 HydrophobicContact CE2-CD1 3.92Å; Y132-I136 HydrophobicContact CE2-CG1 4.12Å; Y132-I136 HydrophobicContact CG-CG1 4.41Å; Y132-I136 WeakPolarHBondContact O-CG1 3.27Å; Y132-I136 PolarHBondContact O-N 3.36Å; E133-I136 PolarHBondContact O-N 2.92Å; I136-F138 VanDerWaalsContact C-N 3.35Å; I136-V139 PolarHBondContact O-N 3.28Å; I136-S140 WeakPolarHBondContact O-CB 3.35Å; I136-S140 PolarHBondContact O-N 2.99Å; I136-S140 PolarHBondContact O-OG 3.09Å
137	E	72	Confident	72.5	Confident	78 Å²	78	57.4 Å²	57.4	36%	0.364	28%	0.282	S	S	.	.	H	α-helix	trans	-61.1	-45.3	174.2	-80.4	-172.6	92.3	0	0	111.6	Y122 K124 E133 E134 S140 Q141	Y122-E137 HydrophobicContact CD1-CB 4.49Å; K124-E137 WeakPolarHBondContact CE-OE1 3.43Å; K124-E137 VanDerWaalsContact CE-OE2 3.23Å; K124-E137 WeakPolarHBondContact CE-OE2 3.46Å; K124-E137 IonicContact NZ-OE1 3.89Å; K124-E137 PolarHBondContact NZ-OE1 2.99Å; K124-E137 IonicContact NZ-OE2 3.63Å; K124-E137 PolarHBondContact NZ-OE2 3.49Å; E133-E137 PolarHBondContact O-N 3.33Å; E134-E137 PolarHBondContact O-N 2.77Å; E137-S140 WeakPolarHBondContact CA-OG 3.43Å; E137-S140 PolarHBondContact O-N 2.87Å; E137-S140 PolarHBondContact O-OG 2.88Å; E137-Q141 PolarHBondContact O-N 2.65Å; E137-Q141 VanDerWaalsContact O-N 3.16Å
138	F	71	Confident	71.8	Confident	16 Å²	16	56.3 Å²	56.3	7%	0.07	28%	0.275	C	S	.	.	H	α-helix	trans	-54.3	-56	173.7	161.2	-106.5	0	0	0	111	W118 Y122 E134 F135 I136 S140 Q141 Y142	W118-F138 AromaticContact CD2-CE2 3.98Å; W118-F138 HydrophobicContact CD2-CE2 3.98Å; W118-F138 AromaticContact CE3-CE2 3.45Å; W118-F138 HydrophobicContact CE3-CE2 3.45Å; W118-F138 VanDerWaalsContact CE3-CE2 3.45Å; W118-F138 AromaticContact CE3-CZ 3.69Å; W118-F138 HydrophobicContact CE3-CZ 3.69Å; W118-F138 HydrophobicContact CG-CE2 4.47Å; W118-F138 HydrophobicContact CH2-CE2 4.38Å; W118-F138 HydrophobicContact CH2-CZ 4.4Å; W118-F138 AromaticContact CZ3-CE2 3.61Å; W118-F138 HydrophobicContact CZ3-CE2 3.61Å; W118-F138 AromaticContact CZ3-CZ 3.49Å; W118-F138 HydrophobicContact CZ3-CZ 3.49Å; W118-F138 VanDerWaalsContact CZ3-CZ 3.49Å; Y122-F138 HydrophobicContact CD1-CB 4.17Å; Y122-F138 HydrophobicContact CD2-CB 4.01Å; Y122-F138 AromaticContact CD2-CD2 3.84Å; Y122-F138 HydrophobicContact CD2-CD2 3.84Å; Y122-F138 HydrophobicContact CD2-CG 4.39Å; Y122-F138 HydrophobicContact CE1-CB 4.42Å; Y122-F138 HydrophobicContact CE2-CB 4.3Å; Y122-F138 AromaticContact CE2-CD2 3.63Å; Y122-F138 HydrophobicContact CE2-CD2 3.63Å; Y122-F138 HydrophobicContact CE2-CG 4.46Å; Y122-F138 HydrophobicContact CG-CB 3.96Å; E134-F138 WeakPolarHBondContact O-CB 3.48Å; E134-F138 PolarHBondContact O-N 3Å; F135-F138 AromaticContact CD2-CD1 3.93Å; F135-F138 HydrophobicContact CD2-CD1 3.93Å; F135-F138 AromaticContact CE2-CD1 3.94Å; F135-F138 HydrophobicContact CE2-CD1 3.94Å; F135-F138 HydrophobicContact CE2-CE1 4.17Å; F135-F138 WeakPolarHBondContact O-CB 3.26Å; F135-F138 PolarHBondContact O-N 3.15Å; I136-F138 VanDerWaalsContact C-N 3.35Å; F138-S140 VanDerWaalsContact C-N 3.33Å; F138-S140 PolarHBondContact O-N 3.14Å; F138-Q141 PolarHBondContact O-N 2.96Å; F138-Y142 HydrophobicContact CD2-CD2 4.12Å; F138-Y142 AromaticContact CD2-CE2 3.79Å; F138-Y142 HydrophobicContact CD2-CE2 3.79Å; F138-Y142 AromaticContact CE2-CD2 3.78Å; F138-Y142 HydrophobicContact CE2-CD2 3.78Å; F138-Y142 AromaticContact CE2-CE2 3.41Å; F138-Y142 HydrophobicContact CE2-CE2 3.41Å; F138-Y142 VanDerWaalsContact CE2-CE2 3.41Å; F138-Y142 HydrophobicContact CZ-CD2 4.23Å; F138-Y142 HydrophobicContact CZ-CE2 4.22Å; F138-Y142 VanDerWaalsContact O-CD2 3.24Å; F138-Y142 WeakPolarHBondContact O-CD2 3.23Å
139	V	67	Low	71.2	Confident	20 Å²	20	58.5 Å²	58.5	12%	0.121	28%	0.277	C	S	.	.	H	α-helix	trans	-66.3	-38.8	-177.4	-179.4	0	0	0	0	110.6	L79 F135 I136 Q141 Y142 L143	L79-V139 HydrophobicContact CD2-CB 3.78Å; L79-V139 HydrophobicContact CD2-CG1 3.38Å; L79-V139 HydrophobicContact CD2-CG2 4.1Å; F135-V139 HydrophobicContact CD1-CG2 4.12Å; F135-V139 HydrophobicContact CD2-CG2 4.14Å; F135-V139 HydrophobicContact CE1-CG2 3.58Å; F135-V139 HydrophobicContact CE2-CG2 3.58Å; F135-V139 HydrophobicContact CG-CG2 4.38Å; F135-V139 HydrophobicContact CZ-CG2 3.26Å; F135-V139 WeakPolarHBondContact O-CG2 3.2Å; F135-V139 PolarHBondContact O-N 3.24Å; I136-V139 PolarHBondContact O-N 3.28Å; V139-Q141 PolarHBondContact O-N 3.36Å; V139-Q141 VanDerWaalsContact O-N 3.15Å; V139-Y142 CarbonylContact O-C 3.36Å; V139-Y142 WeakPolarHBondContact O-CA 3.25Å; V139-Y142 PolarHBondContact O-N 2.9Å; V139-L143 HydrophobicContact CG1-CD1 3.66Å; V139-L143 HydrophobicContact CG1-CD2 4.08Å; V139-L143 HydrophobicContact CG1-CG 3.65Å; V139-L143 VanDerWaalsContact O-CG 3.31Å; V139-L143 WeakPolarHBondContact O-CG 3.49Å; V139-L143 PolarHBondContact O-N 3.34Å
140	S	61.8	Low	70.3	Confident	65 Å²	65	56.5 Å²	56.5	46%	0.455	27%	0.273	S	S	.	.	H	α-helix	trans	-61.5	-23.2	178.7	74.3	0	0	0	0	114	I136 E137 F138 Y142	I136-S140 WeakPolarHBondContact O-CB 3.35Å; I136-S140 PolarHBondContact O-N 2.99Å; I136-S140 PolarHBondContact O-OG 3.09Å; E137-S140 WeakPolarHBondContact CA-OG 3.43Å; E137-S140 PolarHBondContact O-N 2.87Å; E137-S140 PolarHBondContact O-OG 2.88Å; F138-S140 VanDerWaalsContact C-N 3.33Å; F138-S140 PolarHBondContact O-N 3.14Å; S140-Y142 VanDerWaalsContact C-N 3.31Å
141	Q	58.2	Low	69.3	Low	111 Å²	111	60.8 Å²	60.8	52%	0.519	29%	0.294	S	S	.	.	H	α-helix	trans	-78.2	-18.4	173.4	179.8	160.5	-4.4	0	0	112.5	Y122 E137 F138 V139	Y122-Q141 PolarHBondContact OH-OE1 3.1Å; E137-Q141 PolarHBondContact O-N 2.65Å; E137-Q141 VanDerWaalsContact O-N 3.16Å; F138-Q141 PolarHBondContact O-N 2.96Å; V139-Q141 PolarHBondContact O-N 3.36Å; V139-Q141 VanDerWaalsContact O-N 3.15Å
142	Y	52	Low	68.1	Low	116 Å²	116	62.8 Å²	62.8	46%	0.455	30%	0.302	S	S	.	.			trans	-108.9	6.8	175.8	-63.5	-80.6	0	0	0	112.6	F138 V139 S140	F138-Y142 HydrophobicContact CD2-CD2 4.12Å; F138-Y142 AromaticContact CD2-CE2 3.79Å; F138-Y142 HydrophobicContact CD2-CE2 3.79Å; F138-Y142 AromaticContact CE2-CD2 3.78Å; F138-Y142 HydrophobicContact CE2-CD2 3.78Å; F138-Y142 AromaticContact CE2-CE2 3.41Å; F138-Y142 HydrophobicContact CE2-CE2 3.41Å; F138-Y142 VanDerWaalsContact CE2-CE2 3.41Å; F138-Y142 HydrophobicContact CZ-CD2 4.23Å; F138-Y142 HydrophobicContact CZ-CE2 4.22Å; F138-Y142 VanDerWaalsContact O-CD2 3.24Å; F138-Y142 WeakPolarHBondContact O-CD2 3.23Å; V139-Y142 CarbonylContact O-C 3.36Å; V139-Y142 WeakPolarHBondContact O-CA 3.25Å; V139-Y142 PolarHBondContact O-N 2.9Å; S140-Y142 VanDerWaalsContact C-N 3.31Å
143	L	44.3	Very low	67.1	Low	82 Å²	82	62.4 Å²	62.4	43%	0.429	31%	0.305	S	S	.	.			trans	-107.7	0	169.2	-63.5	178.8	0	0	0	110.7	L69 V74 L79 V139	L69-L143 WeakPolarHBondContact CD1-O 3.28Å; L69-L143 VanDerWaalsContact CD2-CA 3.45Å; L69-L143 HydrophobicContact CD2-CB 3.73Å; L69-L143 HydrophobicContact CD2-CD2 3.19Å; L69-L143 HydrophobicContact CD2-CG 4.02Å; L69-L143 WeakPolarHBondContact CD2-O 3.25Å; V74-L143 HydrophobicContact CB-CD1 3.62Å; V74-L143 HydrophobicContact CG1-CD1 4.02Å; V74-L143 HydrophobicContact CG2-CD1 3.47Å; V74-L143 VanDerWaalsContact CG2-CD1 3.47Å; V74-L143 HydrophobicContact CG2-CD2 3.63Å; V74-L143 HydrophobicContact CG2-CG 4.14Å; L79-L143 HydrophobicContact CD2-CD1 4.47Å; V139-L143 HydrophobicContact CG1-CD1 3.66Å; V139-L143 HydrophobicContact CG1-CD2 4.08Å; V139-L143 HydrophobicContact CG1-CG 3.65Å; V139-L143 VanDerWaalsContact O-CG 3.31Å; V139-L143 WeakPolarHBondContact O-CG 3.49Å; V139-L143 PolarHBondContact O-N 3.34Å

Retrieved 143 of 143 residues in 48.4 ms (Link to these results)

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