A0A077YZ07_TRITR Loading...

Glyoxalase 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZ07, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 240 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	65.5	Low	88.1	Confident	121 Å²	121	47.1 Å²	47.1	60%	0.596	22%	0.22	S	C	*	.				0	136.5	0	-158.4	170.2	-122.3	0	0	106.1	P162 D213 E214	M1-P162 HydrophobicContact CB-CG 4.17Å; M1-P162 WeakPolarHBondContact O-CG 3.33Å; M1-D213 HydrophobicContact CE-CB 4.46Å; M1-D213 WeakPolarHBondContact CE-OD2 2.95Å; M1-D213 HydrophobicContact CG-CB 4.18Å; M1-D213 WeakPolarHBondContact CG-OD2 3.26Å; M1-D213 HydrophobicContact SD-CB 3.58Å; M1-D213 VanDerWaalsContact SD-CB 3.58Å; M1-E214 HydrophobicContact CE-CG 4.18Å; M1-E214 HydrophobicContact SD-CG 3.9Å
2	M	83.4	Confident	88.3	Confident	162 Å²	162	44 Å²	44	80%	0.798	21%	0.207	S	C	*	.			trans	-98.5	153.6	-176	-64.4	-171.6	-62	0	0	110.1
3	R	92.4	Very high	88.4	Confident	58 Å²	58	42.3 Å²	42.3	22%	0.219	21%	0.209	C	C	.	.			trans	-63.5	146.4	171.7	-63.1	-175.7	-179.4	-163.4	-1.9	110.3	I125 L126 F142 A160 C161 E165	R3-I125 PolarHBondContact NH1-O 3.18Å; R3-L126 WeakPolarHBondContact CD-O 3Å; R3-L126 PolarHBondContact NH1-O 3.28Å; R3-F142 HydrophobicContact CB-CD1 3.67Å; R3-F142 HydrophobicContact CB-CD2 4.02Å; R3-F142 HydrophobicContact CB-CE1 3.74Å; R3-F142 HydrophobicContact CB-CE2 4.03Å; R3-F142 HydrophobicContact CB-CG 3.84Å; R3-F142 HydrophobicContact CB-CZ 3.91Å; R3-F142 HydrophobicContact CG-CE1 4.44Å; R3-A160 CarbonylContact C-O 3.54Å; R3-A160 WeakPolarHBondContact CA-O 3.39Å; R3-C161 HydrophobicContact CG-CB 3.92Å; R3-E165 IonicContact CZ-OE2 3.3Å; R3-E165 VanDerWaalsContact CZ-OE2 3.3Å; R3-E165 IonicContact NE-OE2 2.95Å; R3-E165 PolarHBondContact NE-OE2 2.86Å; R3-E165 IonicContact NH2-OE2 2.78Å; R3-E165 PolarHBondContact NH2-OE2 3.18Å
4	R	91.5	Very high	88.7	Confident	37 Å²	37	44.3 Å²	44.3	14%	0.14	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	140	-174	-169.8	167.9	57.4	88.8	-1.6	112.7	E62 D63 F159 A160 D213	R4-E62 PolarHBondContact NH1-O 3.07Å; R4-E62 PolarHBondContact NH2-O 2.84Å; R4-D63 VanDerWaalsContact NH1-C 3.35Å; R4-D63 PolarHBondContact NH1-O 2.97Å; R4-F159 CarbonylContact O-C 3.39Å; R4-F159 VanDerWaalsContact O-CA 3.28Å; R4-F159 WeakPolarHBondContact O-CA 3.42Å; R4-A160 HydrophobicContact CB-CB 4.38Å; R4-A160 PolarHBondContact N-O 2.7Å; R4-A160 PolarHBondContact O-N 2.91Å; R4-D213 IonicContact NH2-OD1 3.29Å; R4-D213 PolarHBondContact NH2-OD1 2.86Å
5	A	91.9	Very high	89	Confident	20 Å²	20	42.5 Å²	42.5	17%	0.165	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	132.6	169.3	0	0	0	0	0	110.7	F66 F159	A5-F66 HydrophobicContact CB-CD2 3.75Å; A5-F66 HydrophobicContact CB-CE2 3.98Å; A5-F159 HydrophobicContact CB-CD1 4.13Å; A5-F159 HydrophobicContact CB-CE1 4.13Å
6	L	94	Very high	89.3	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	-63.1	-172.8	-60.3	176.6	0	0	0	111.9	F66 V67 A158 A160 V211 Y216	L6-F66 WeakPolarHBondContact O-CA 3.11Å; L6-V67 PolarHBondContact O-N 3.47Å; L6-A158 HydrophobicContact CB-CB 4.22Å; L6-A158 WeakPolarHBondContact CB-O 3.39Å; L6-A158 HydrophobicContact CD1-CB 4.39Å; L6-A158 PolarHBondContact N-O 2.93Å; L6-A160 HydrophobicContact CD1-CB 3.78Å; L6-A160 HydrophobicContact CD2-CB 3.72Å; L6-A160 HydrophobicContact CG-CB 3.92Å; L6-V211 HydrophobicContact CD1-CG1 3.35Å; L6-Y216 HydrophobicContact CB-CE1 4.44Å; L6-Y216 HydrophobicContact CD1-CD1 3.93Å; L6-Y216 HydrophobicContact CD1-CD2 4.17Å; L6-Y216 HydrophobicContact CD1-CE1 3.73Å; L6-Y216 HydrophobicContact CD1-CE2 3.94Å; L6-Y216 HydrophobicContact CD1-CG 4.16Å; L6-Y216 HydrophobicContact CD2-CD1 3.98Å; L6-Y216 HydrophobicContact CD2-CE1 3.67Å; L6-Y216 HydrophobicContact CG-CE1 4.15Å
7	H	92.6	Very high	89.4	Confident	12 Å²	12	47.8 Å²	47.8	6%	0.056	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	163.9	-172.6	56.9	-102.3	0	0	0	113.1	M56 V67 E69 A158 Y216	H7-M56 HydrophobicContact CB-CE 4.02Å; H7-V67 CarbonylContact C-O 3.58Å; H7-V67 WeakPolarHBondContact CA-O 3.28Å; H7-V67 HydrophobicContact CB-CG2 3.63Å; H7-V67 WeakPolarHBondContact CB-O 3.5Å; H7-E69 IonicContact CD2-OE2 3.53Å; H7-E69 IonicContact CE1-OE2 3.9Å; H7-E69 IonicContact NE2-OE2 2.71Å; H7-E69 PolarHBondContact NE2-OE2 3.44Å; H7-A158 VanDerWaalsContact CE1-CB 3.42Å; H7-A158 WeakPolarHBondContact CE1-CB 2.7Å; H7-A158 WeakPolarHBondContact NE2-CB 3.43Å; H7-A158 PolarHBondContact O-N 2.85Å; H7-Y216 PolarHBondContact CE1-OH 3.4Å; H7-Y216 AromaticContact ND1-CZ 4Å; H7-Y216 PolarHBondContact ND1-OH 2.85Å
8	Y	90.8	Very high	89.6	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.008	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.2	168.4	-161	-109.5	0	0	0	110.9	I10 V67 L68 E69 V89 M91 V108 C154 G155 T157	Y8-I10 HydrophobicContact CD1-CD1 4.5Å; Y8-I10 HydrophobicContact CD1-CG1 3.91Å; Y8-I10 HydrophobicContact CE1-CG1 4.41Å; Y8-V67 PolarHBondContact N-O 2.96Å; Y8-L68 WeakPolarHBondContact O-CA 3.15Å; Y8-E69 PolarHBondContact O-N 3.02Å; Y8-V89 HydrophobicContact CD1-CG1 4.14Å; Y8-V89 HydrophobicContact CD2-CG1 4.37Å; Y8-V89 HydrophobicContact CE1-CB 4.02Å; Y8-V89 HydrophobicContact CE1-CG1 3.64Å; Y8-V89 HydrophobicContact CE1-CG2 4.22Å; Y8-V89 HydrophobicContact CE2-CB 4.47Å; Y8-V89 HydrophobicContact CE2-CG1 3.95Å; Y8-V89 HydrophobicContact CE2-CG2 4.03Å; Y8-V89 HydrophobicContact CG-CG1 4.47Å; Y8-V89 VanDerWaalsContact CZ-CG2 3.48Å; Y8-V89 WeakPolarHBondContact OH-CB 3.12Å; Y8-V89 WeakPolarHBondContact OH-CG2 3.2Å; Y8-M91 HydrophobicContact CD1-SD 4.29Å; Y8-V108 HydrophobicContact CD2-CG1 3.89Å; Y8-V108 HydrophobicContact CD2-CG2 4.01Å; Y8-V108 HydrophobicContact CE2-CG1 3.89Å; Y8-V108 HydrophobicContact CG-CG2 4.13Å; Y8-C154 WeakPolarHBondContact CE1-O 3.14Å; Y8-C154 VanDerWaalsContact CZ-C 3.44Å; Y8-C154 WeakPolarHBondContact OH-CA 3.28Å; Y8-G155 VanDerWaalsContact OH-C 3.32Å; Y8-G155 WeakPolarHBondContact OH-CA 3.34Å; Y8-G155 PolarHBondContact OH-N 2.55Å; Y8-G155 PolarHBondContact OH-O 2.82Å; Y8-T157 WeakPolarHBondContact CD2-OG1 3.21Å; Y8-T157 WeakPolarHBondContact CE2-OG1 3.36Å
9	V	90.3	Very high	89.8	Confident	5 Å²	5	43.9 Å²	43.9	3%	0.03	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	124	-179	-174.9	0	0	0	0	110.5	E69 V71 G155 R156	V9-E69 CarbonylContact C-O 3.55Å; V9-E69 WeakPolarHBondContact CA-O 3.45Å; V9-E69 HydrophobicContact CB-CB 4.37Å; V9-E69 HydrophobicContact CG1-CB 4.47Å; V9-E69 HydrophobicContact CG1-CG 4.31Å; V9-E69 HydrophobicContact CG2-CB 3.99Å; V9-E69 HydrophobicContact CG2-CG 4.25Å; V9-V71 HydrophobicContact CG1-CB 4.45Å; V9-V71 HydrophobicContact CG1-CG2 3.56Å; V9-G155 WeakPolarHBondContact O-CA 3.35Å; V9-R156 HydrophobicContact CB-CB 4Å; V9-R156 HydrophobicContact CG2-CB 3.95Å; V9-R156 WeakPolarHBondContact CG2-O 3.38Å; V9-R156 PolarHBondContact N-O 3.03Å; V9-R156 PolarHBondContact O-N 3.25Å
10	I	88.4	Confident	89.9	Confident	22 Å²	22	44.2 Å²	44.2	11%	0.113	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128	177.3	-55	173.2	0	0	0	109.2	Y8 V12 L68 E69 V71 M91	Y8-I10 HydrophobicContact CD1-CD1 4.5Å; Y8-I10 HydrophobicContact CD1-CG1 3.91Å; Y8-I10 HydrophobicContact CE1-CG1 4.41Å; I10-V12 HydrophobicContact CG2-CG1 4.06Å; I10-L68 HydrophobicContact CD1-CD1 4Å; I10-L68 HydrophobicContact CD1-CD2 4.05Å; I10-L68 HydrophobicContact CD1-CG 4.44Å; I10-E69 PolarHBondContact N-O 3.41Å; I10-V71 PolarHBondContact O-N 3.46Å; I10-M91 HydrophobicContact CD1-CE 3.42Å; I10-M91 VanDerWaalsContact CD1-CE 3.42Å; I10-M91 HydrophobicContact CD1-SD 3.89Å
11	R	88.1	Confident	89.9	Confident	78 Å²	78	47 Å²	47	29%	0.294	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128.7	174.9	-59.9	179.4	-172.9	111	0.4	109.6	V71 Y79	R11-V71 WeakPolarHBondContact CA-O 3.45Å; R11-V71 HydrophobicContact CG-CB 4.24Å; R11-V71 HydrophobicContact CG-CG1 4.22Å; R11-Y79 HydrophobicContact CB-CD1 4.08Å; R11-Y79 HydrophobicContact CB-CD2 4.18Å; R11-Y79 HydrophobicContact CB-CE1 3.87Å; R11-Y79 HydrophobicContact CB-CE2 4Å; R11-Y79 HydrophobicContact CB-CG 4.24Å
12	V	90.4	Very high	91.2	Very high	10 Å²	10	42.4 Å²	42.4	6%	0.061	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	137.6	-174	-59.4	0	0	0	0	111.9	I10 L15 S18 V70 V71 Y72 Y79	I10-V12 HydrophobicContact CG2-CG1 4.06Å; V12-L15 HydrophobicContact CG2-CD1 4.48Å; V12-S18 VanDerWaalsContact CB-OG 3.3Å; V12-S18 WeakPolarHBondContact CB-OG 3.23Å; V12-S18 WeakPolarHBondContact CG1-OG 3.36Å; V12-V70 HydrophobicContact CB-CG1 4.35Å; V12-V70 HydrophobicContact CG1-CG1 3.85Å; V12-V70 HydrophobicContact CG2-CG1 3.52Å; V12-V71 PolarHBondContact N-O 2.82Å; V12-Y72 WeakPolarHBondContact O-CD2 3.17Å; V12-Y79 VanDerWaalsContact C-CE2 3.47Å; V12-Y79 WeakPolarHBondContact O-CE2 3.49Å
13	G	90.2	Very high	91.6	Very high	22 Å²	22	35.6 Å²	35.6	23%	0.227	18%	0.183	C	C	.	.	S	Bend	trans	-78.8	-22.2	177.3	0	0	0	0	0	113.7	S77	G13-S77 WeakPolarHBondContact CA-O 3.47Å
14	N	92.5	Very high	91.3	Very high	70 Å²	70	34.7 Å²	34.7	37%	0.374	19%	0.191	S	C	.	.			trans	-137.4	110	174.3	-174.7	-22.3	0	0	0	109.8	M16 D17 S18	N14-M16 PolarHBondContact OD1-N 2.9Å; N14-D17 HydrophobicContact CB-CB 4.12Å; N14-D17 PolarHBondContact ND2-OD1 3.31Å; N14-D17 PolarHBondContact ND2-OD2 2.89Å; N14-D17 PolarHBondContact OD1-N 2.72Å; N14-S18 WeakPolarHBondContact O-CB 3.17Å; N14-S18 PolarHBondContact O-N 3.15Å; N14-S18 PolarHBondContact O-OG 2.86Å
15	L	93.8	Very high	91.2	Very high	17 Å²	17	40.9 Å²	40.9	9%	0.089	22%	0.219	C	C	.	.	H	α-helix	trans	-62.7	-43.4	179.6	-178	60.9	0	0	0	112.1	V12 S18 L19 V70 Y72 W230	V12-L15 HydrophobicContact CG2-CD1 4.48Å; L15-S18 PolarHBondContact O-N 3.33Å; L15-L19 HydrophobicContact CD1-CD1 3.8Å; L15-L19 HydrophobicContact CD1-CD2 4.41Å; L15-L19 HydrophobicContact CD1-CG 3.89Å; L15-L19 HydrophobicContact CG-CD1 3.87Å; L15-L19 HydrophobicContact CG-CG 4.29Å; L15-L19 WeakPolarHBondContact O-CB 3.45Å; L15-L19 VanDerWaalsContact O-CG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.49Å; L15-L19 PolarHBondContact O-N 3.31Å; L15-V70 HydrophobicContact CD1-CG1 3.86Å; L15-Y72 HydrophobicContact CB-CD1 4.24Å; L15-Y72 HydrophobicContact CB-CD2 4.03Å; L15-Y72 HydrophobicContact CB-CG 3.83Å; L15-Y72 HydrophobicContact CD2-CD1 4.41Å; L15-W230 HydrophobicContact CD2-CH2 3.95Å; L15-W230 HydrophobicContact CD2-CZ2 4.41Å; L15-W230 HydrophobicContact CG-CH2 4.42Å
16	M	92.4	Very high	91.1	Very high	70 Å²	70	42.3 Å²	42.3	35%	0.345	22%	0.224	S	C	.	.	H	α-helix	trans	-67.7	-44.6	-174.8	-173.7	62.8	-175.2	0	0	111.7	N14 S18 L19 C20 V233 F234	N14-M16 PolarHBondContact OD1-N 2.9Å; M16-S18 VanDerWaalsContact C-N 3.3Å; M16-S18 PolarHBondContact O-N 3.49Å; M16-L19 PolarHBondContact O-N 2.83Å; M16-C20 VanDerWaalsContact O-CB 3.31Å; M16-C20 WeakPolarHBondContact O-CB 3.42Å; M16-C20 PolarHBondContact O-N 3.31Å; M16-C20 PolarHBondContact O-SG 3.17Å; M16-V233 HydrophobicContact CE-CG1 3.59Å; M16-V233 HydrophobicContact SD-CG1 3.77Å; M16-F234 HydrophobicContact CE-CD1 3.61Å; M16-F234 HydrophobicContact CE-CE1 3.66Å; M16-F234 HydrophobicContact SD-CD1 4.16Å; M16-F234 HydrophobicContact SD-CE1 3.56Å; M16-F234 VanDerWaalsContact SD-CE1 3.56Å; M16-F234 HydrophobicContact SD-CZ 4.47Å
17	D	92.2	Very high	90.9	Very high	105 Å²	105	44.7 Å²	44.7	56%	0.561	25%	0.248	S	C	*	.	H	α-helix	trans	-62.6	-42	177	-68.6	-10.2	0	0	0	110.9	N14 C20 F21	N14-D17 HydrophobicContact CB-CB 4.12Å; N14-D17 PolarHBondContact ND2-OD1 3.31Å; N14-D17 PolarHBondContact ND2-OD2 2.89Å; N14-D17 PolarHBondContact OD1-N 2.72Å; D17-C20 WeakPolarHBondContact O-CB 3.49Å; D17-C20 PolarHBondContact O-N 3.26Å; D17-F21 PolarHBondContact O-N 3.13Å
18	S	92.5	Very high	90.9	Very high	22 Å²	22	44.3 Å²	44.3	15%	0.154	25%	0.247	C	C	.	.	H	α-helix	trans	-64.3	-47.4	179.2	-57.1	0	0	0	0	111.6	V12 N14 L15 M16 F21 Y22	V12-S18 VanDerWaalsContact CB-OG 3.3Å; V12-S18 WeakPolarHBondContact CB-OG 3.23Å; V12-S18 WeakPolarHBondContact CG1-OG 3.36Å; N14-S18 WeakPolarHBondContact O-CB 3.17Å; N14-S18 PolarHBondContact O-N 3.15Å; N14-S18 PolarHBondContact O-OG 2.86Å; L15-S18 PolarHBondContact O-N 3.33Å; M16-S18 VanDerWaalsContact C-N 3.3Å; M16-S18 PolarHBondContact O-N 3.49Å; S18-F21 WeakPolarHBondContact O-CB 3.36Å; S18-F21 PolarHBondContact O-N 3.19Å; S18-F21 VanDerWaalsContact O-N 3.15Å; S18-Y22 WeakPolarHBondContact O-CD2 3.26Å; S18-Y22 PolarHBondContact O-N 3.34Å
19	L	93.2	Very high	91	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-69.5	-34.1	177.9	-63.6	177.3	0	0	0	112.2	L15 M16 F21 Y22 V23 T55 V57 W230 F234	L15-L19 HydrophobicContact CD1-CD1 3.8Å; L15-L19 HydrophobicContact CD1-CD2 4.41Å; L15-L19 HydrophobicContact CD1-CG 3.89Å; L15-L19 HydrophobicContact CG-CD1 3.87Å; L15-L19 HydrophobicContact CG-CG 4.29Å; L15-L19 WeakPolarHBondContact O-CB 3.45Å; L15-L19 VanDerWaalsContact O-CG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.49Å; L15-L19 PolarHBondContact O-N 3.31Å; M16-L19 PolarHBondContact O-N 2.83Å; L19-F21 PolarHBondContact O-N 2.96Å; L19-Y22 PolarHBondContact O-N 3.15Å; L19-V23 WeakPolarHBondContact O-CA 3.45Å; L19-V23 WeakPolarHBondContact O-CB 3.43Å; L19-V23 PolarHBondContact O-N 3.07Å; L19-T55 HydrophobicContact CD1-CG2 4.26Å; L19-T55 HydrophobicContact CD2-CG2 3.87Å; L19-V57 HydrophobicContact CD2-CG1 3.64Å; L19-W230 HydrophobicContact CD1-CD2 4.02Å; L19-W230 HydrophobicContact CD1-CE3 3.69Å; L19-W230 HydrophobicContact CD1-CH2 3.6Å; L19-W230 HydrophobicContact CD1-CZ2 3.94Å; L19-W230 HydrophobicContact CD1-CZ3 3.47Å; L19-W230 VanDerWaalsContact CD1-CZ3 3.47Å; L19-F234 HydrophobicContact CB-CE1 3.84Å; L19-F234 HydrophobicContact CB-CE2 4.18Å; L19-F234 HydrophobicContact CB-CZ 3.28Å; L19-F234 HydrophobicContact CD1-CZ 4.01Å; L19-F234 HydrophobicContact CG-CZ 4.28Å
20	C	91.2	Very high	91.3	Very high	49 Å²	49	47.5 Å²	47.5	33%	0.331	26%	0.258	S	S	.	.	H	α-helix	trans	-56.9	-37.6	169.9	-80.8	0	0	0	0	111.8	M16 D17 G24 K25	M16-C20 VanDerWaalsContact O-CB 3.31Å; M16-C20 WeakPolarHBondContact O-CB 3.42Å; M16-C20 PolarHBondContact O-N 3.31Å; M16-C20 PolarHBondContact O-SG 3.17Å; D17-C20 WeakPolarHBondContact O-CB 3.49Å; D17-C20 PolarHBondContact O-N 3.26Å; C20-G24 CarbonylContact O-C 3.37Å; C20-G24 WeakPolarHBondContact O-CA 3.1Å; C20-G24 PolarHBondContact O-N 3.5Å; C20-K25 PolarHBondContact O-N 2.85Å
21	F	91.2	Very high	91.7	Very high	105 Å²	105	46.4 Å²	46.4	46%	0.461	25%	0.253	S	S	.	.	H	α-helix	trans	-71.8	-57.9	174.3	179.3	-103.6	0	0	0	111.8	D17 S18 L19 V23 K25 L26	D17-F21 PolarHBondContact O-N 3.13Å; S18-F21 WeakPolarHBondContact O-CB 3.36Å; S18-F21 PolarHBondContact O-N 3.19Å; S18-F21 VanDerWaalsContact O-N 3.15Å; L19-F21 PolarHBondContact O-N 2.96Å; F21-V23 PolarHBondContact O-N 2.87Å; F21-K25 HydrophobicContact CD2-CB 4.04Å; F21-K25 HydrophobicContact CD2-CG 4.19Å; F21-K25 HydrophobicContact CE2-CB 4.42Å; F21-K25 CarbonylContact O-C 3.48Å; F21-K25 WeakPolarHBondContact O-CA 3.39Å; F21-K25 VanDerWaalsContact O-CB 3.23Å; F21-K25 WeakPolarHBondContact O-CB 3.44Å; F21-K25 PolarHBondContact O-N 3.33Å; F21-L26 HydrophobicContact CD1-CD1 4.27Å; F21-L26 HydrophobicContact CD1-CG 4.39Å; F21-L26 HydrophobicContact CE1-CD1 3.64Å; F21-L26 HydrophobicContact CE1-CD2 4.34Å; F21-L26 HydrophobicContact CE1-CG 3.94Å; F21-L26 HydrophobicContact CE2-CD2 4.45Å; F21-L26 HydrophobicContact CZ-CD1 4.1Å; F21-L26 HydrophobicContact CZ-CD2 3.97Å; F21-L26 HydrophobicContact CZ-CG 4.07Å; F21-L26 PolarHBondContact O-N 3.08Å
22	Y	92	Very high	92.2	Very high	24 Å²	24	42.8 Å²	42.8	9%	0.094	24%	0.239	C	C	.	.	H	α-helix	trans	-61.8	-47.6	-176	-61.6	-51.1	0	0	0	112.8	S18 L19 L26 G27 M28 V57 L68 V70	S18-Y22 WeakPolarHBondContact O-CD2 3.26Å; S18-Y22 PolarHBondContact O-N 3.34Å; L19-Y22 PolarHBondContact O-N 3.15Å; Y22-L26 HydrophobicContact CD1-CD1 4.1Å; Y22-L26 CarbonylContact O-C 3.58Å; Y22-L26 WeakPolarHBondContact O-CB 3.25Å; Y22-L26 PolarHBondContact O-N 3.05Å; Y22-G27 PolarHBondContact O-N 3.33Å; Y22-M28 HydrophobicContact CD1-SD 4.29Å; Y22-M28 HydrophobicContact CG-SD 4.4Å; Y22-M28 VanDerWaalsContact O-CB 3.3Å; Y22-M28 WeakPolarHBondContact O-CB 3.28Å; Y22-M28 PolarHBondContact O-N 3.35Å; Y22-V57 HydrophobicContact CD2-CG2 4.22Å; Y22-V57 HydrophobicContact CG-CG2 4.18Å; Y22-L68 HydrophobicContact CD1-CD1 3.88Å; Y22-L68 HydrophobicContact CE1-CD1 3.68Å; Y22-V70 HydrophobicContact CD2-CG2 3.9Å; Y22-V70 HydrophobicContact CE2-CG2 3.72Å
23	V	91.3	Very high	92.5	Very high	19 Å²	19	44.2 Å²	44.2	12%	0.115	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-50.1	-178.7	179.4	0	0	0	0	110.7	L19 F21 G27 M28 V30 F234	L19-V23 WeakPolarHBondContact O-CA 3.45Å; L19-V23 WeakPolarHBondContact O-CB 3.43Å; L19-V23 PolarHBondContact O-N 3.07Å; F21-V23 PolarHBondContact O-N 2.87Å; V23-G27 WeakPolarHBondContact O-CA 3.17Å; V23-G27 PolarHBondContact O-N 2.9Å; V23-M28 WeakPolarHBondContact CA-O 3.45Å; V23-M28 WeakPolarHBondContact CG1-O 3.35Å; V23-V30 HydrophobicContact CG2-CG2 3.86Å; V23-F234 HydrophobicContact CB-CD2 4.26Å; V23-F234 HydrophobicContact CB-CE2 4.09Å; V23-F234 HydrophobicContact CG1-CD2 3.91Å; V23-F234 HydrophobicContact CG1-CE2 4.11Å; V23-F234 HydrophobicContact CG2-CE2 4.07Å
24	G	86.7	Confident	92.8	Very high	38 Å²	38	43.7 Å²	43.7	39%	0.392	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-27.4	-171.3	0	0	0	0	0	115	C20	C20-G24 CarbonylContact O-C 3.37Å; C20-G24 WeakPolarHBondContact O-CA 3.1Å; C20-G24 PolarHBondContact O-N 3.5Å
25	K	89.2	Confident	92.9	Very high	167 Å²	167	44.5 Å²	44.5	73%	0.726	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108	-43.3	-179.4	-56.8	-61.2	-176.3	-178.3	0	113	C20 F21	C20-K25 PolarHBondContact O-N 2.85Å; F21-K25 HydrophobicContact CD2-CB 4.04Å; F21-K25 HydrophobicContact CD2-CG 4.19Å; F21-K25 HydrophobicContact CE2-CB 4.42Å; F21-K25 CarbonylContact O-C 3.48Å; F21-K25 WeakPolarHBondContact O-CA 3.39Å; F21-K25 VanDerWaalsContact O-CB 3.23Å; F21-K25 WeakPolarHBondContact O-CB 3.44Å; F21-K25 PolarHBondContact O-N 3.33Å
26	L	90.1	Very high	93.1	Very high	51 Å²	51	44.9 Å²	44.9	27%	0.267	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-11.7	179.1	-55.2	-172.2	0	0	0	113.2	F21 Y22 M28 Y59 F93	F21-L26 HydrophobicContact CD1-CD1 4.27Å; F21-L26 HydrophobicContact CD1-CG 4.39Å; F21-L26 HydrophobicContact CE1-CD1 3.64Å; F21-L26 HydrophobicContact CE1-CD2 4.34Å; F21-L26 HydrophobicContact CE1-CG 3.94Å; F21-L26 HydrophobicContact CE2-CD2 4.45Å; F21-L26 HydrophobicContact CZ-CD1 4.1Å; F21-L26 HydrophobicContact CZ-CD2 3.97Å; F21-L26 HydrophobicContact CZ-CG 4.07Å; F21-L26 PolarHBondContact O-N 3.08Å; Y22-L26 HydrophobicContact CD1-CD1 4.1Å; Y22-L26 CarbonylContact O-C 3.58Å; Y22-L26 WeakPolarHBondContact O-CB 3.25Å; Y22-L26 PolarHBondContact O-N 3.05Å; L26-M28 VanDerWaalsContact C-N 3.31Å; L26-M28 HydrophobicContact CB-CG 4.4Å; L26-M28 HydrophobicContact CD1-CE 4.29Å; L26-M28 PolarHBondContact O-N 3.11Å; L26-Y59 WeakPolarHBondContact O-CE1 2.83Å; L26-Y59 PolarHBondContact O-OH 3.22Å; L26-F93 HydrophobicContact CD1-CD2 4.44Å; L26-F93 HydrophobicContact CD1-CE2 3.98Å; L26-F93 HydrophobicContact CD1-CZ 4.15Å
27	G	89.9	Confident	93.2	Very high	50 Å²	50	45.1 Å²	45.1	52%	0.515	25%	0.252	S	S	.	.			trans	76.3	17.4	177.3	0	0	0	0	0	114.1	Y22 V23	Y22-G27 PolarHBondContact O-N 3.33Å; V23-G27 WeakPolarHBondContact O-CA 3.17Å; V23-G27 PolarHBondContact O-N 2.9Å
28	M	92.5	Very high	93.3	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.025	26%	0.259	C	S	.	.			trans	-69	169.2	171.3	-61.7	179.9	172.7	0	0	111.4	Y22 V23 L26 V57 G58 Y59 L68 F93	Y22-M28 HydrophobicContact CD1-SD 4.29Å; Y22-M28 HydrophobicContact CG-SD 4.4Å; Y22-M28 VanDerWaalsContact O-CB 3.3Å; Y22-M28 WeakPolarHBondContact O-CB 3.28Å; Y22-M28 PolarHBondContact O-N 3.35Å; V23-M28 WeakPolarHBondContact CA-O 3.45Å; V23-M28 WeakPolarHBondContact CG1-O 3.35Å; L26-M28 VanDerWaalsContact C-N 3.31Å; L26-M28 HydrophobicContact CB-CG 4.4Å; L26-M28 HydrophobicContact CD1-CE 4.29Å; L26-M28 PolarHBondContact O-N 3.11Å; M28-V57 HydrophobicContact CB-CB 4.37Å; M28-V57 HydrophobicContact SD-CB 4.33Å; M28-V57 HydrophobicContact SD-CG2 3.85Å; M28-G58 CarbonylContact C-O 3.59Å; M28-G58 WeakPolarHBondContact CA-O 3.33Å; M28-Y59 HydrophobicContact CE-CE2 3.85Å; M28-Y59 HydrophobicContact CG-CE1 4.09Å; M28-Y59 HydrophobicContact CG-CE2 4.1Å; M28-L68 HydrophobicContact CE-CD1 3.91Å; M28-L68 HydrophobicContact CE-CG 4.36Å; M28-L68 HydrophobicContact SD-CD1 4.14Å; M28-F93 HydrophobicContact CE-CD1 4.09Å; M28-F93 HydrophobicContact CE-CE1 3.13Å; M28-F93 HydrophobicContact CE-CZ 3.49Å; M28-F93 VanDerWaalsContact CE-CZ 3.49Å
29	R	93.5	Very high	93.2	Very high	71 Å²	71	47.6 Å²	47.6	27%	0.268	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	145	178.9	-56	172.5	69	-163.6	4.1	109	L31 V57 G58 E227	R29-L31 HydrophobicContact CB-CD2 4.32Å; R29-L31 PolarHBondContact O-N 3.46Å; R29-V57 WeakPolarHBondContact O-CA 3.45Å; R29-G58 PolarHBondContact N-O 2.87Å; R29-G58 PolarHBondContact O-N 3.23Å; R29-G58 VanDerWaalsContact O-N 3.11Å; R29-E227 IonicContact CZ-OE1 2.7Å; R29-E227 IonicContact CZ-OE2 2.81Å; R29-E227 IonicContact NE-OE1 2.73Å; R29-E227 PolarHBondContact NE-OE1 2.85Å; R29-E227 IonicContact NE-OE2 3.18Å; R29-E227 VanDerWaalsContact NH2-CD 3.33Å; R29-E227 IonicContact NH2-OE1 3.69Å; R29-E227 PolarHBondContact NH2-OE1 2.86Å; R29-E227 IonicContact NH2-OE2 2.83Å; R29-E227 PolarHBondContact NH2-OE2 3.08Å
30	V	96.5	Very high	92.9	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.012	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	119.4	168.5	-177.1	0	0	0	0	108.6	V23 T55 V57 T226 E227 W230	V23-V30 HydrophobicContact CG2-CG2 3.86Å; V30-T55 HydrophobicContact CG1-CG2 3.56Å; V30-T55 HydrophobicContact CG2-CG2 4.33Å; V30-V57 HydrophobicContact CG2-CG1 4.04Å; V30-T226 HydrophobicContact CG1-CG2 3.98Å; V30-E227 WeakPolarHBondContact O-CB 3.25Å; V30-W230 HydrophobicContact CB-CB 4.3Å; V30-W230 HydrophobicContact CB-CG 4.22Å; V30-W230 HydrophobicContact CG1-CG 4.27Å; V30-W230 HydrophobicContact CG2-CB 3.83Å; V30-W230 HydrophobicContact CG2-CG 3.8Å
31	L	97	Very high	92.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-41.2	-175.4	-53.4	175.9	0	0	0	111.5	R29 M56 G60 E62 V67 W222 E223	R29-L31 HydrophobicContact CB-CD2 4.32Å; R29-L31 PolarHBondContact O-N 3.46Å; L31-M56 HydrophobicContact CB-CB 4.2Å; L31-M56 PolarHBondContact N-O 3.44Å; L31-G60 WeakPolarHBondContact CD1-O 3.2Å; L31-G60 WeakPolarHBondContact CD2-O 3.32Å; L31-E62 HydrophobicContact CD1-CG 3.98Å; L31-V67 HydrophobicContact CD1-CB 4.26Å; L31-V67 HydrophobicContact CD1-CG1 3.59Å; L31-W222 HydrophobicContact CD2-CG 4.41Å; L31-W222 VanDerWaalsContact O-CD1 3.29Å; L31-E223 PolarHBondContact O-N 2.9Å
32	R	97.1	Very high	92.4	Very high	1 Å²	1	49.7 Å²	49.7	0%	0.004	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	156.6	174.1	56.9	-177.7	174.9	86.1	4.9	109.8	E34 M56 E62 E223	R32-E34 WeakPolarHBondContact CD-OE1 3.43Å; R32-E34 IonicContact CZ-OE1 3.86Å; R32-E34 IonicContact NE-OE1 2.64Å; R32-E34 VanDerWaalsContact NH1-CD 3.28Å; R32-E34 IonicContact NH1-OE1 3.31Å; R32-E34 PolarHBondContact NH1-OE1 3.41Å; R32-E34 IonicContact NH1-OE2 3.77Å; R32-E34 PolarHBondContact NH1-OE2 2.67Å; R32-E34 VanDerWaalsContact NH1-OE2 3.13Å; R32-M56 HydrophobicContact CG-CB 3.87Å; R32-M56 HydrophobicContact CG-CG 3.45Å; R32-M56 VanDerWaalsContact CG-CG 3.45Å; R32-M56 VanDerWaalsContact NH2-CG 3.32Å; R32-M56 PolarHBondContact NH2-SD 3.16Å; R32-M56 VanDerWaalsContact NH2-SD 3.43Å; R32-M56 PolarHBondContact O-N 3.47Å; R32-E62 WeakPolarHBondContact CD-OE2 3.46Å; R32-E62 IonicContact CZ-OE1 3.45Å; R32-E62 IonicContact CZ-OE2 3.45Å; R32-E62 IonicContact NE-OE1 2.69Å; R32-E62 IonicContact NE-OE2 3.53Å; R32-E62 PolarHBondContact NE-OE2 2.83Å; R32-E62 IonicContact NH2-OE1 3.21Å; R32-E62 PolarHBondContact NH2-OE1 3.01Å; R32-E62 IonicContact NH2-OE2 2.68Å; R32-E62 PolarHBondContact NH2-OE2 2.82Å; R32-E223 HydrophobicContact CB-CG 4.15Å
33	H	96.9	Very high	92.1	Very high	41 Å²	41	51.3 Å²	51.3	19%	0.19	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	130.4	-179.7	-179.2	81.3	0	0	0	109.8	E35 K54 T55 T226 W230	H33-E35 IonicContact CE1-OE1 3.82Å; H33-E35 IonicContact NE2-OE1 3.12Å; H33-E35 PolarHBondContact NE2-OE1 2.78Å; H33-E35 VanDerWaalsContact NE2-OE1 3.12Å; H33-K54 CarbonylContact C-O 3.13Å; H33-K54 WeakPolarHBondContact CA-O 3.2Å; H33-T55 PolarHBondContact CE1-OG1 3.45Å; H33-T55 PolarHBondContact ND1-OG1 3.05Å; H33-T226 HydrophobicContact CB-CG2 3.58Å; H33-W230 AromaticContact CE1-CZ2 3.89Å; H33-W230 AromaticContact CG-NE1 3.98Å; H33-W230 AromaticContact ND1-CZ2 3.82Å
34	E	96.4	Very high	91.6	Very high	11 Å²	11	50.9 Å²	50.9	5%	0.051	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	139.5	-175.6	-69.8	139.8	-156.1	0	0	110.5	R32 F36 S53 K54 T189 K192	R32-E34 WeakPolarHBondContact CD-OE1 3.43Å; R32-E34 IonicContact CZ-OE1 3.86Å; R32-E34 IonicContact NE-OE1 2.64Å; R32-E34 VanDerWaalsContact NH1-CD 3.28Å; R32-E34 IonicContact NH1-OE1 3.31Å; R32-E34 PolarHBondContact NH1-OE1 3.41Å; R32-E34 IonicContact NH1-OE2 3.77Å; R32-E34 PolarHBondContact NH1-OE2 2.67Å; R32-E34 VanDerWaalsContact NH1-OE2 3.13Å; E34-F36 HydrophobicContact CB-CD2 4.36Å; E34-F36 HydrophobicContact CB-CE2 3.49Å; E34-F36 VanDerWaalsContact CB-CE2 3.49Å; E34-F36 HydrophobicContact CB-CZ 3.86Å; E34-S53 CarbonylContact O-C 3.36Å; E34-S53 WeakPolarHBondContact O-CA 3.17Å; E34-S53 WeakPolarHBondContact O-CB 3.42Å; E34-K54 HydrophobicContact CB-CB 4.44Å; E34-K54 PolarHBondContact N-O 2.95Å; E34-K54 PolarHBondContact O-N 3.05Å; E34-T189 HydrophobicContact CB-CG2 4.4Å; E34-T189 VanDerWaalsContact CD-CG2 3.48Å; E34-T189 HydrophobicContact CG-CG2 3.67Å; E34-K192 WeakPolarHBondContact OE1-CE 3.17Å; E34-K192 IonicContact OE1-NZ 3.78Å; E34-K192 PolarHBondContact OE1-NZ 2.72Å
35	E	96.5	Very high	91.5	Very high	86 Å²	86	49.1 Å²	49.1	40%	0.402	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	131.9	178	-73.9	-69.7	172.3	0	0	109.9	H33 S53 Y74	H33-E35 IonicContact CE1-OE1 3.82Å; H33-E35 IonicContact NE2-OE1 3.12Å; H33-E35 PolarHBondContact NE2-OE1 2.78Å; H33-E35 VanDerWaalsContact NE2-OE1 3.12Å; E35-S53 WeakPolarHBondContact OE1-CB 3.42Å; E35-Y74 PolarHBondContact OE1-OH 3.38Å; E35-Y74 WeakPolarHBondContact OE2-CE2 3.3Å; E35-Y74 PolarHBondContact OE2-OH 2.95Å
36	F	96.7	Very high	91.3	Very high	26 Å²	26	41.3 Å²	41.3	11%	0.114	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.8	-176.9	-62	-92.8	0	0	0	110.4	E34 Q38 K51 W52 K54 T189	E34-F36 HydrophobicContact CB-CD2 4.36Å; E34-F36 HydrophobicContact CB-CE2 3.49Å; E34-F36 VanDerWaalsContact CB-CE2 3.49Å; E34-F36 HydrophobicContact CB-CZ 3.86Å; F36-Q38 VanDerWaalsContact C-N 3.33Å; F36-Q38 PolarHBondContact O-N 3.33Å; F36-K51 VanDerWaalsContact O-CA 3.3Å; F36-K51 WeakPolarHBondContact O-CA 3.32Å; F36-W52 HydrophobicContact CB-CD2 4.07Å; F36-W52 HydrophobicContact CB-CG 4.1Å; F36-W52 HydrophobicContact CB-CZ2 4.13Å; F36-W52 AromaticContact CD1-CZ2 3.95Å; F36-W52 HydrophobicContact CD1-CZ2 3.95Å; F36-W52 AromaticContact CD2-CD2 3.88Å; F36-W52 HydrophobicContact CD2-CD2 3.88Å; F36-W52 AromaticContact CD2-CE2 3.62Å; F36-W52 HydrophobicContact CD2-CE3 4.11Å; F36-W52 AromaticContact CD2-CH2 3.9Å; F36-W52 HydrophobicContact CD2-CH2 3.9Å; F36-W52 AromaticContact CD2-CZ2 3.6Å; F36-W52 HydrophobicContact CD2-CZ2 3.6Å; F36-W52 HydrophobicContact CD2-CZ3 4.15Å; F36-W52 HydrophobicContact CE1-CZ2 4.24Å; F36-W52 AromaticContact CE2-CH2 3.83Å; F36-W52 HydrophobicContact CE2-CH2 3.83Å; F36-W52 AromaticContact CE2-CZ2 3.92Å; F36-W52 HydrophobicContact CE2-CZ2 3.92Å; F36-W52 HydrophobicContact CE2-CZ3 4.18Å; F36-W52 HydrophobicContact CG-CD2 4.19Å; F36-W52 AromaticContact CG-CE2 3.55Å; F36-W52 HydrophobicContact CG-CH2 4.37Å; F36-W52 AromaticContact CG-CZ2 3.63Å; F36-W52 HydrophobicContact CG-CZ2 3.63Å; F36-W52 AromaticContact CG-NE1 3.71Å; F36-W52 HydrophobicContact CZ-CH2 4.24Å; F36-W52 HydrophobicContact CZ-CZ2 4.23Å; F36-W52 PolarHBondContact N-O 3.02Å; F36-W52 PolarHBondContact O-N 3.08Å; F36-W52 VanDerWaalsContact O-N 3.07Å; F36-K54 HydrophobicContact CE2-CB 3.95Å; F36-T189 HydrophobicContact CE1-CG2 4.42Å; F36-T189 HydrophobicContact CZ-CG2 4.07Å
37	A	94.9	Very high	91	Very high	74 Å²	74	44.6 Å²	44.6	61%	0.612	26%	0.255	S	S	*	.	S	Bend	trans	-77.3	-18.1	-176.5	0	0	0	0	0	114
38	Q	93.2	Very high	90.8	Very high	152 Å²	152	45.2 Å²	45.2	71%	0.71	24%	0.244	S	C	*	.	S	Bend	trans	-141.6	158.3	-174.8	-60.2	-179.2	41.8	0	0	109.8	F36 G50 W52	F36-Q38 VanDerWaalsContact C-N 3.33Å; F36-Q38 PolarHBondContact O-N 3.33Å; Q38-G50 CarbonylContact C-O 3.58Å; Q38-W52 PolarHBondContact O-NE1 3.21Å
39	G	90.5	Very high	90.6	Very high	27 Å²	27	48.2 Å²	48.2	28%	0.278	28%	0.276	S	S	.	.			trans	-55.9	149.2	175.5	0	0	0	0	0	113	F48 G49 G50	G39-F48 WeakPolarHBondContact CA-O 3.42Å; G39-G49 PolarHBondContact N-O 3.22Å; G39-G50 PolarHBondContact N-O 3.32Å
40	C	88.6	Confident	90.5	Very high	27 Å²	27	46.7 Å²	46.7	18%	0.182	28%	0.282	C	S	.	.			trans	-74.5	135.4	-179.4	-171.5	0	0	0	0	111.3	A42 T43 C44 N45 W52	C40-A42 PolarHBondContact O-N 3.46Å; C40-T43 PolarHBondContact O-N 3.01Å; C40-C44 HydrophobicContact CB-CB 4.01Å; C40-C44 PolarHBondContact SG-SG 2.87Å; C40-N45 VanDerWaalsContact CB-OD1 3.26Å; C40-N45 WeakPolarHBondContact CB-OD1 3.36Å; C40-N45 PolarHBondContact N-OD1 2.72Å; C40-W52 HydrophobicContact CB-CH2 4.39Å; C40-W52 HydrophobicContact CB-CZ2 3.69Å
41	K	85.5	Confident	90.5	Very high	171 Å²	171	52.8 Å²	52.8	74%	0.743	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-37.8	176.5	-67.5	179.1	-176.6	168.1	0	112.8	T43	K41-T43 VanDerWaalsContact C-N 3.31Å
42	A	85.3	Confident	90.5	Very high	0 Å²	0	53 Å²	53	0%	0	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	25.3	179.2	0	0	0	0	0	112.8	C40 C44 R156 T182 L187 I199	C40-A42 PolarHBondContact O-N 3.46Å; A42-C44 PolarHBondContact O-N 3.43Å; A42-R156 PolarHBondContact O-NH1 3.39Å; A42-R156 PolarHBondContact O-NH2 2.93Å; A42-T182 HydrophobicContact CB-CG2 4.15Å; A42-L187 HydrophobicContact CB-CD1 3.97Å; A42-L187 HydrophobicContact CB-CD2 3.62Å; A42-L187 HydrophobicContact CB-CG 4.35Å; A42-I199 HydrophobicContact CB-CD1 3.65Å; A42-I199 WeakPolarHBondContact O-CD1 3.37Å
43	T	86.4	Confident	90.5	Very high	58 Å²	58	52.9 Å²	52.9	36%	0.356	31%	0.309	S	S	.	.			trans	50	29.5	174	61.8	0	0	0	0	114.1	C40 K41 N45 G46 R156	C40-T43 PolarHBondContact O-N 3.01Å; K41-T43 VanDerWaalsContact C-N 3.31Å; T43-N45 PolarHBondContact O-N 3.49Å; T43-N45 VanDerWaalsContact O-N 3.17Å; T43-G46 WeakPolarHBondContact O-CA 3.4Å; T43-G46 PolarHBondContact O-N 3.28Å; T43-R156 PolarHBondContact O-NH2 2.82Å
44	C	80.2	Confident	90.4	Very high	10 Å²	10	52 Å²	52	7%	0.068	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-38.3	178.4	-60.6	0	0	0	0	111.1	C40 A42 G46 W52 R156	C40-C44 HydrophobicContact CB-CB 4.01Å; C40-C44 PolarHBondContact SG-SG 2.87Å; A42-C44 PolarHBondContact O-N 3.43Å; C44-G46 VanDerWaalsContact C-N 3.26Å; C44-G46 PolarHBondContact O-N 3.49Å; C44-W52 HydrophobicContact CB-CH2 4.08Å; C44-R156 PolarHBondContact SG-NH1 2.87Å; C44-R156 VanDerWaalsContact SG-NH1 3.39Å
45	N	85.1	Confident	90.5	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-0.3	177.2	70.7	-66	0	0	0	114.4	C40 T43 F48 W52 V71 N73	C40-N45 VanDerWaalsContact CB-OD1 3.26Å; C40-N45 WeakPolarHBondContact CB-OD1 3.36Å; C40-N45 PolarHBondContact N-OD1 2.72Å; T43-N45 PolarHBondContact O-N 3.49Å; T43-N45 VanDerWaalsContact O-N 3.17Å; N45-F48 PolarHBondContact ND2-O 3.1Å; N45-F48 VanDerWaalsContact O-CD2 3.28Å; N45-F48 WeakPolarHBondContact O-CD2 3.48Å; N45-W52 HydrophobicContact CB-CB 4.09Å; N45-W52 HydrophobicContact CB-CD2 3.31Å; N45-W52 HydrophobicContact CB-CE3 3.46Å; N45-W52 VanDerWaalsContact CB-CE3 3.46Å; N45-W52 HydrophobicContact CB-CG 3.59Å; N45-W52 HydrophobicContact CB-CH2 4.33Å; N45-W52 HydrophobicContact CB-CZ2 4.25Å; N45-W52 HydrophobicContact CB-CZ3 3.94Å; N45-V71 HydrophobicContact CB-CG1 4.01Å; N45-N73 WeakPolarHBondContact CB-OD1 3.37Å; N45-N73 PolarHBondContact ND2-OD1 3.37Å; N45-N73 PolarHBondContact O-ND2 3.44Å; N45-N73 PolarHBondContact O-OD1 3.18Å
46	G	83.9	Confident	90.5	Very high	4 Å²	4	47.4 Å²	47.4	4%	0.041	28%	0.283	C	S	.	.			trans	95.7	-168.3	-169.6	0	0	0	0	0	112.3	T43 C44 F48	T43-G46 WeakPolarHBondContact O-CA 3.4Å; T43-G46 PolarHBondContact O-N 3.28Å; C44-G46 VanDerWaalsContact C-N 3.26Å; C44-G46 PolarHBondContact O-N 3.49Å; G46-F48 PolarHBondContact O-N 2.91Å
47	P	84.1	Confident	90.5	Very high	119 Å²	119	46.2 Å²	46.2	77%	0.773	28%	0.278	S	S	*	.	S	Bend	trans	-75.3	21.1	-178	33.7	-37.9	0	0	0	113.6
48	F	87	Confident	90.4	Very high	64 Å²	64	42.7 Å²	42.7	28%	0.281	25%	0.249	S	C	.	.			trans	-98.3	126.2	-171.5	-48.3	-76.8	0	0	0	111	G39 N45 G46 G50 I76 Y79	G39-F48 WeakPolarHBondContact CA-O 3.42Å; N45-F48 PolarHBondContact ND2-O 3.1Å; N45-F48 VanDerWaalsContact O-CD2 3.28Å; N45-F48 WeakPolarHBondContact O-CD2 3.48Å; G46-F48 PolarHBondContact O-N 2.91Å; F48-G50 VanDerWaalsContact C-N 3.34Å; F48-I76 HydrophobicContact CD1-CD1 4.11Å; F48-I76 HydrophobicContact CD1-CG1 4.14Å; F48-I76 HydrophobicContact CE1-CD1 4.21Å; F48-I76 HydrophobicContact CE1-CG1 4.3Å; F48-I76 HydrophobicContact CE1-CG2 4.46Å; F48-I76 HydrophobicContact CZ-CG2 4.43Å; F48-Y79 HydrophobicContact CE2-CD1 4.39Å; F48-Y79 AromaticContact CE2-CE1 3.7Å; F48-Y79 HydrophobicContact CE2-CE1 3.7Å; F48-Y79 HydrophobicContact CZ-CD1 4.3Å; F48-Y79 AromaticContact CZ-CE1 3.89Å; F48-Y79 HydrophobicContact CZ-CE1 3.89Å
49	G	87.5	Confident	90.4	Very high	68 Å²	68	37.9 Å²	37.9	70%	0.701	22%	0.224	S	C	*	.			trans	-83.8	-2.8	179.3	0	0	0	0	0	115.4	G39	G39-G49 PolarHBondContact N-O 3.22Å
50	G	91.5	Very high	90.5	Very high	39 Å²	39	36.7 Å²	36.7	40%	0.402	21%	0.213	S	C	.	.	S	Bend	trans	-80.5	-173.9	-173	0	0	0	0	0	114.8	Q38 G39 F48	Q38-G50 CarbonylContact C-O 3.58Å; G39-G50 PolarHBondContact N-O 3.32Å; F48-G50 VanDerWaalsContact C-N 3.34Å
51	K	96.3	Very high	90.7	Very high	130 Å²	130	37.5 Å²	37.5	57%	0.565	22%	0.218	S	C	*	.			trans	-66.2	145.9	169.5	-62.1	-174.8	179.3	-177.6	0	110.1	F36 Y74	F36-K51 VanDerWaalsContact O-CA 3.3Å; F36-K51 WeakPolarHBondContact O-CA 3.32Å; K51-Y74 HydrophobicContact CB-CD2 3.79Å; K51-Y74 HydrophobicContact CB-CE2 4.47Å; K51-Y74 HydrophobicContact CB-CG 4.16Å; K51-Y74 WeakPolarHBondContact O-CD2 3.05Å; K51-Y74 PolarHBondContact O-N 3.28Å
52	W	96.4	Very high	91.2	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.011	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	160.8	177.1	65.2	-74.1	0	0	0	110.2	F36 Q38 C40 C44 N45 K54 V71 Y72	F36-W52 HydrophobicContact CB-CD2 4.07Å; F36-W52 HydrophobicContact CB-CG 4.1Å; F36-W52 HydrophobicContact CB-CZ2 4.13Å; F36-W52 AromaticContact CD1-CZ2 3.95Å; F36-W52 HydrophobicContact CD1-CZ2 3.95Å; F36-W52 AromaticContact CD2-CD2 3.88Å; F36-W52 HydrophobicContact CD2-CD2 3.88Å; F36-W52 AromaticContact CD2-CE2 3.62Å; F36-W52 HydrophobicContact CD2-CE3 4.11Å; F36-W52 AromaticContact CD2-CH2 3.9Å; F36-W52 HydrophobicContact CD2-CH2 3.9Å; F36-W52 AromaticContact CD2-CZ2 3.6Å; F36-W52 HydrophobicContact CD2-CZ2 3.6Å; F36-W52 HydrophobicContact CD2-CZ3 4.15Å; F36-W52 HydrophobicContact CE1-CZ2 4.24Å; F36-W52 AromaticContact CE2-CH2 3.83Å; F36-W52 HydrophobicContact CE2-CH2 3.83Å; F36-W52 AromaticContact CE2-CZ2 3.92Å; F36-W52 HydrophobicContact CE2-CZ2 3.92Å; F36-W52 HydrophobicContact CE2-CZ3 4.18Å; F36-W52 HydrophobicContact CG-CD2 4.19Å; F36-W52 AromaticContact CG-CE2 3.55Å; F36-W52 HydrophobicContact CG-CH2 4.37Å; F36-W52 AromaticContact CG-CZ2 3.63Å; F36-W52 HydrophobicContact CG-CZ2 3.63Å; F36-W52 AromaticContact CG-NE1 3.71Å; F36-W52 HydrophobicContact CZ-CH2 4.24Å; F36-W52 HydrophobicContact CZ-CZ2 4.23Å; F36-W52 PolarHBondContact N-O 3.02Å; F36-W52 PolarHBondContact O-N 3.08Å; F36-W52 VanDerWaalsContact O-N 3.07Å; Q38-W52 PolarHBondContact O-NE1 3.21Å; C40-W52 HydrophobicContact CB-CH2 4.39Å; C40-W52 HydrophobicContact CB-CZ2 3.69Å; C44-W52 HydrophobicContact CB-CH2 4.08Å; N45-W52 HydrophobicContact CB-CB 4.09Å; N45-W52 HydrophobicContact CB-CD2 3.31Å; N45-W52 HydrophobicContact CB-CE3 3.46Å; N45-W52 VanDerWaalsContact CB-CE3 3.46Å; N45-W52 HydrophobicContact CB-CG 3.59Å; N45-W52 HydrophobicContact CB-CH2 4.33Å; N45-W52 HydrophobicContact CB-CZ2 4.25Å; N45-W52 HydrophobicContact CB-CZ3 3.94Å; W52-K54 HydrophobicContact CZ3-CB 3.95Å; W52-V71 HydrophobicContact CE3-CG1 4.11Å; W52-V71 HydrophobicContact CZ3-CG2 4.31Å; W52-Y72 CarbonylContact C-O 3.47Å; W52-Y72 WeakPolarHBondContact CA-O 3.29Å; W52-Y72 WeakPolarHBondContact CB-O 2.8Å
53	S	96.9	Very high	91.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	155.2	172.8	67.8	0	0	0	0	111.5	E34 E35 V71 Y72	E34-S53 CarbonylContact O-C 3.36Å; E34-S53 WeakPolarHBondContact O-CA 3.17Å; E34-S53 WeakPolarHBondContact O-CB 3.42Å; E35-S53 WeakPolarHBondContact OE1-CB 3.42Å; S53-V71 WeakPolarHBondContact O-CA 3.16Å; S53-Y72 PolarHBondContact N-O 2.55Å; S53-Y72 PolarHBondContact O-N 2.88Å
54	K	96.7	Very high	91.7	Very high	23 Å²	23	35.2 Å²	35.2	10%	0.1	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.4	177.1	-175.7	-172.9	-67.5	-144.6	0	108.4	H33 E34 F36 W52 M56 E69	H33-K54 CarbonylContact C-O 3.13Å; H33-K54 WeakPolarHBondContact CA-O 3.2Å; E34-K54 HydrophobicContact CB-CB 4.44Å; E34-K54 PolarHBondContact N-O 2.95Å; E34-K54 PolarHBondContact O-N 3.05Å; F36-K54 HydrophobicContact CE2-CB 3.95Å; W52-K54 HydrophobicContact CZ3-CB 3.95Å; K54-M56 HydrophobicContact CD-SD 3.92Å; K54-M56 HydrophobicContact CG-SD 3.98Å; K54-E69 VanDerWaalsContact CD-CD 3.4Å; K54-E69 HydrophobicContact CD-CG 3.84Å; K54-E69 VanDerWaalsContact CD-OE2 3.29Å; K54-E69 WeakPolarHBondContact CD-OE2 3.41Å; K54-E69 WeakPolarHBondContact CE-OE1 3.35Å; K54-E69 WeakPolarHBondContact CE-OE2 3.34Å; K54-E69 HydrophobicContact CG-CG 3.54Å; K54-E69 IonicContact NZ-OE1 2.63Å; K54-E69 PolarHBondContact NZ-OE1 2.96Å; K54-E69 IonicContact NZ-OE2 2.72Å; K54-E69 PolarHBondContact NZ-OE2 3.44Å
55	T	97	Very high	92.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	117.3	176.2	-46.1	0	0	0	0	109.6	L19 V30 H33 V57 V70	L19-T55 HydrophobicContact CD1-CG2 4.26Å; L19-T55 HydrophobicContact CD2-CG2 3.87Å; V30-T55 HydrophobicContact CG1-CG2 3.56Å; V30-T55 HydrophobicContact CG2-CG2 4.33Å; H33-T55 PolarHBondContact CE1-OG1 3.45Å; H33-T55 PolarHBondContact ND1-OG1 3.05Å; T55-V57 HydrophobicContact CG2-CG1 4.09Å; T55-V70 PolarHBondContact N-O 2.81Å; T55-V70 WeakPolarHBondContact O-CB 3.27Å; T55-V70 PolarHBondContact O-N 2.89Å
56	M	97.5	Very high	92.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	126	174.6	-51.1	-52.3	-66.2	0	0	109.4	H7 L31 R32 K54 E62 V67 L68 E69	H7-M56 HydrophobicContact CB-CE 4.02Å; L31-M56 HydrophobicContact CB-CB 4.2Å; L31-M56 PolarHBondContact N-O 3.44Å; R32-M56 HydrophobicContact CG-CB 3.87Å; R32-M56 HydrophobicContact CG-CG 3.45Å; R32-M56 VanDerWaalsContact CG-CG 3.45Å; R32-M56 VanDerWaalsContact NH2-CG 3.32Å; R32-M56 PolarHBondContact NH2-SD 3.16Å; R32-M56 VanDerWaalsContact NH2-SD 3.43Å; R32-M56 PolarHBondContact O-N 3.47Å; K54-M56 HydrophobicContact CD-SD 3.92Å; K54-M56 HydrophobicContact CG-SD 3.98Å; M56-E62 WeakPolarHBondContact CE-OE1 2.91Å; M56-V67 HydrophobicContact CE-CG2 3.54Å; M56-L68 CarbonylContact C-O 3.19Å; M56-L68 WeakPolarHBondContact CA-O 3.38Å; M56-E69 HydrophobicContact CE-CB 3.63Å; M56-E69 HydrophobicContact CE-CG 4.2Å; M56-E69 HydrophobicContact SD-CB 3.69Å; M56-E69 HydrophobicContact SD-CG 3.64Å
57	V	95.6	Very high	93	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136.7	176	-58.1	0	0	0	0	111.6	L19 Y22 M28 R29 V30 T55 V67 L68 V70	L19-V57 HydrophobicContact CD2-CG1 3.64Å; Y22-V57 HydrophobicContact CD2-CG2 4.22Å; Y22-V57 HydrophobicContact CG-CG2 4.18Å; M28-V57 HydrophobicContact CB-CB 4.37Å; M28-V57 HydrophobicContact SD-CB 4.33Å; M28-V57 HydrophobicContact SD-CG2 3.85Å; R29-V57 WeakPolarHBondContact O-CA 3.45Å; V30-V57 HydrophobicContact CG2-CG1 4.04Å; T55-V57 HydrophobicContact CG2-CG1 4.09Å; V57-V67 WeakPolarHBondContact O-CB 3.17Å; V57-L68 HydrophobicContact CG2-CB 3.81Å; V57-L68 PolarHBondContact N-O 3.01Å; V57-L68 PolarHBondContact O-N 3.15Å; V57-V70 HydrophobicContact CG2-CG2 3.91Å
58	G	94.1	Very high	93.5	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	-172.7	-179.9	0	0	0	0	0	112.1	M28 R29	M28-G58 CarbonylContact C-O 3.59Å; M28-G58 WeakPolarHBondContact CA-O 3.33Å; R29-G58 PolarHBondContact N-O 2.87Å; R29-G58 PolarHBondContact O-N 3.23Å; R29-G58 VanDerWaalsContact O-N 3.11Å
59	Y	92.5	Very high	93.9	Very high	50 Å²	50	28.6 Å²	28.6	20%	0.196	17%	0.168	C	C	.	.	S	Bend	trans	-91	-14.1	-179.2	-63.8	-78.3	0	0	0	113.7	L26 M28 F93 P104	L26-Y59 WeakPolarHBondContact O-CE1 2.83Å; L26-Y59 PolarHBondContact O-OH 3.22Å; M28-Y59 HydrophobicContact CE-CE2 3.85Å; M28-Y59 HydrophobicContact CG-CE1 4.09Å; M28-Y59 HydrophobicContact CG-CE2 4.1Å; Y59-F93 AromaticContact CE2-CD1 3.69Å; Y59-F93 HydrophobicContact CE2-CD1 3.69Å; Y59-F93 HydrophobicContact CE2-CE1 4Å; Y59-P104 VanDerWaalsContact CB-CD 3.49Å; Y59-P104 HydrophobicContact CD1-CB 4.29Å; Y59-P104 HydrophobicContact CD1-CG 3.8Å; Y59-P104 HydrophobicContact CD2-CB 3.73Å; Y59-P104 HydrophobicContact CD2-CG 3.77Å; Y59-P104 HydrophobicContact CE1-CB 4.27Å; Y59-P104 HydrophobicContact CE1-CG 4.22Å; Y59-P104 HydrophobicContact CE2-CB 3.73Å; Y59-P104 HydrophobicContact CE2-CG 4.22Å; Y59-P104 HydrophobicContact CG-CB 4.02Å; Y59-P104 HydrophobicContact CG-CG 3.55Å
60	G	92	Very high	94.2	Very high	3 Å²	3	25.4 Å²	25.4	3%	0.031	14%	0.135	C	C	.	.	S	Bend	trans	-162.9	-173.1	178.3	0	0	0	0	0	112.6	L31 H65	L31-G60 WeakPolarHBondContact CD1-O 3.2Å; L31-G60 WeakPolarHBondContact CD2-O 3.32Å; G60-H65 PolarHBondContact N-CD2 3.11Å
61	P	94	Very high	94.3	Very high	44 Å²	44	23.5 Å²	23.5	29%	0.286	12%	0.116	S	C	.	.			trans	-57.9	147.9	-178.8	-23.1	34.4	0	0	0	113.4	D63 D64 H65 W222	P61-D63 PolarHBondContact O-N 3.34Å; P61-D63 VanDerWaalsContact O-N 3.08Å; P61-D64 PolarHBondContact O-N 3.31Å; P61-H65 VanDerWaalsContact O-CB 3.32Å; P61-H65 WeakPolarHBondContact O-CB 3.22Å; P61-H65 PolarHBondContact O-N 2.9Å; P61-H65 PolarHBondContact O-ND1 3.42Å; P61-W222 HydrophobicContact CG-CE3 4.33Å
62	E	94.9	Very high	94.2	Very high	3 Å²	3	19.9 Å²	19.9	1%	0.014	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-8.3	179.1	-70	176	78.3	0	0	114.2	R4 L31 R32 M56 V67 Y216	R4-E62 PolarHBondContact NH1-O 3.07Å; R4-E62 PolarHBondContact NH2-O 2.84Å; L31-E62 HydrophobicContact CD1-CG 3.98Å; R32-E62 WeakPolarHBondContact CD-OE2 3.46Å; R32-E62 IonicContact CZ-OE1 3.45Å; R32-E62 IonicContact CZ-OE2 3.45Å; R32-E62 IonicContact NE-OE1 2.69Å; R32-E62 IonicContact NE-OE2 3.53Å; R32-E62 PolarHBondContact NE-OE2 2.83Å; R32-E62 IonicContact NH2-OE1 3.21Å; R32-E62 PolarHBondContact NH2-OE1 3.01Å; R32-E62 IonicContact NH2-OE2 2.68Å; R32-E62 PolarHBondContact NH2-OE2 2.82Å; M56-E62 WeakPolarHBondContact CE-OE1 2.91Å; E62-V67 HydrophobicContact CG-CG1 3.96Å; E62-V67 HydrophobicContact CG-CG2 3.76Å; E62-Y216 PolarHBondContact OE1-OH 2.97Å
63	D	92.6	Very high	94.1	Very high	69 Å²	69	19.8 Å²	19.8	37%	0.369	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-30.5	176.5	-86.8	-27.7	0	0	0	112.8	R4 P61 R217	R4-D63 VanDerWaalsContact NH1-C 3.35Å; R4-D63 PolarHBondContact NH1-O 2.97Å; P61-D63 PolarHBondContact O-N 3.34Å; P61-D63 VanDerWaalsContact O-N 3.08Å; D63-R217 WeakPolarHBondContact OD1-CG 3.45Å; D63-R217 IonicContact OD1-CZ 3.85Å; D63-R217 IonicContact OD1-NH1 2.84Å; D63-R217 PolarHBondContact OD1-NH1 3.4Å
64	D	89.6	Confident	94.1	Very high	108 Å²	108	24.8 Å²	24.8	58%	0.578	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-134	-2.2	-172.9	61.5	-11	0	0	0	113.9	P61	P61-D64 PolarHBondContact O-N 3.31Å
65	H	91.3	Very high	93.9	Very high	30 Å²	30	27.3 Å²	27.3	14%	0.139	15%	0.151	C	C	.	.	S	Bend	trans	-119.8	147.8	176.2	-65	65.9	0	0	0	112.4	G60 P61 V67 D103	G60-H65 PolarHBondContact N-CD2 3.11Å; P61-H65 VanDerWaalsContact O-CB 3.32Å; P61-H65 WeakPolarHBondContact O-CB 3.22Å; P61-H65 PolarHBondContact O-N 2.9Å; P61-H65 PolarHBondContact O-ND1 3.42Å; H65-V67 HydrophobicContact CB-CG1 4.23Å; H65-D103 WeakPolarHBondContact CA-OD2 3.43Å; H65-D103 VanDerWaalsContact CD2-CG 3.49Å; H65-D103 IonicContact CD2-OD1 3.86Å; H65-D103 IonicContact CD2-OD2 3.39Å
66	F	91.9	Very high	93.6	Very high	25 Å²	25	29.8 Å²	29.8	11%	0.11	16%	0.164	C	C	.	.			trans	-80.5	131.5	161.3	-167.4	-82.9	0	0	0	109.6	A5 L6 D103 F105 V108	A5-F66 HydrophobicContact CB-CD2 3.75Å; A5-F66 HydrophobicContact CB-CE2 3.98Å; L6-F66 WeakPolarHBondContact O-CA 3.11Å; F66-D103 PolarHBondContact N-OD2 3.49Å; F66-F105 HydrophobicContact CB-CB 4.34Å; F66-F105 HydrophobicContact CB-CD1 3.86Å; F66-F105 HydrophobicContact CB-CG 4.17Å; F66-F105 AromaticContact CD1-CD1 3.24Å; F66-F105 HydrophobicContact CD1-CD1 3.24Å; F66-F105 AromaticContact CD1-CD2 3.87Å; F66-F105 HydrophobicContact CD1-CD2 3.87Å; F66-F105 AromaticContact CD1-CE1 3.15Å; F66-F105 HydrophobicContact CD1-CE1 3.15Å; F66-F105 AromaticContact CD1-CE2 3.86Å; F66-F105 HydrophobicContact CD1-CE2 3.86Å; F66-F105 AromaticContact CD1-CG 3.65Å; F66-F105 HydrophobicContact CD1-CG 3.65Å; F66-F105 AromaticContact CD1-CZ 3.51Å; F66-F105 HydrophobicContact CD1-CZ 3.51Å; F66-F105 AromaticContact CE1-CD1 3.95Å; F66-F105 HydrophobicContact CE1-CD1 3.95Å; F66-F105 HydrophobicContact CE1-CD2 4.46Å; F66-F105 AromaticContact CE1-CE1 3.33Å; F66-F105 HydrophobicContact CE1-CE1 3.33Å; F66-F105 AromaticContact CE1-CE2 3.98Å; F66-F105 HydrophobicContact CE1-CE2 3.98Å; F66-F105 AromaticContact CE1-CZ 3.38Å; F66-F105 HydrophobicContact CE1-CZ 3.38Å; F66-F105 AromaticContact CG-CD1 3.73Å; F66-F105 HydrophobicContact CG-CD1 3.73Å; F66-F105 AromaticContact CG-CE1 3.91Å; F66-F105 HydrophobicContact CG-CE1 3.91Å; F66-F105 HydrophobicContact CG-CG 4.29Å; F66-F105 HydrophobicContact CZ-CE1 4.21Å; F66-F105 HydrophobicContact CZ-CZ 4.44Å; F66-V108 HydrophobicContact CE1-CG2 3.87Å; F66-V108 HydrophobicContact CZ-CG2 3.65Å
67	V	93.8	Very high	93.1	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	171.1	-173.1	-51.2	0	0	0	0	112	L6 H7 Y8 L31 M56 V57 E62 H65	L6-V67 PolarHBondContact O-N 3.47Å; H7-V67 CarbonylContact C-O 3.58Å; H7-V67 WeakPolarHBondContact CA-O 3.28Å; H7-V67 HydrophobicContact CB-CG2 3.63Å; H7-V67 WeakPolarHBondContact CB-O 3.5Å; Y8-V67 PolarHBondContact N-O 2.96Å; L31-V67 HydrophobicContact CD1-CB 4.26Å; L31-V67 HydrophobicContact CD1-CG1 3.59Å; M56-V67 HydrophobicContact CE-CG2 3.54Å; V57-V67 WeakPolarHBondContact O-CB 3.17Å; E62-V67 HydrophobicContact CG-CG1 3.96Å; E62-V67 HydrophobicContact CG-CG2 3.76Å; H65-V67 HydrophobicContact CB-CG1 4.23Å
68	L	94.1	Very high	92.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129.4	170.5	-56.8	-177.7	0	0	0	110	Y8 I10 Y22 M28 M56 V57 M91 F105	Y8-L68 WeakPolarHBondContact O-CA 3.15Å; I10-L68 HydrophobicContact CD1-CD1 4Å; I10-L68 HydrophobicContact CD1-CD2 4.05Å; I10-L68 HydrophobicContact CD1-CG 4.44Å; Y22-L68 HydrophobicContact CD1-CD1 3.88Å; Y22-L68 HydrophobicContact CE1-CD1 3.68Å; M28-L68 HydrophobicContact CE-CD1 3.91Å; M28-L68 HydrophobicContact CE-CG 4.36Å; M28-L68 HydrophobicContact SD-CD1 4.14Å; M56-L68 CarbonylContact C-O 3.19Å; M56-L68 WeakPolarHBondContact CA-O 3.38Å; V57-L68 HydrophobicContact CG2-CB 3.81Å; V57-L68 PolarHBondContact N-O 3.01Å; V57-L68 PolarHBondContact O-N 3.15Å; L68-M91 HydrophobicContact CD1-CE 4.41Å; L68-M91 HydrophobicContact CD1-SD 4.21Å; L68-M91 HydrophobicContact CD2-CE 4.45Å; L68-M91 HydrophobicContact CD2-SD 3.34Å; L68-M91 WeakPolarHBondContact CD2-SD 3.39Å; L68-M91 HydrophobicContact CG-SD 4.41Å; L68-F105 HydrophobicContact CD2-CE2 3.82Å
69	E	95.3	Very high	91.7	Very high	4 Å²	4	41 Å²	41	2%	0.019	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	100.9	166.9	179.5	171.4	133.1	0	0	108.7	H7 Y8 V9 I10 K54 M56 V71	H7-E69 IonicContact CD2-OE2 3.53Å; H7-E69 IonicContact CE1-OE2 3.9Å; H7-E69 IonicContact NE2-OE2 2.71Å; H7-E69 PolarHBondContact NE2-OE2 3.44Å; Y8-E69 PolarHBondContact O-N 3.02Å; V9-E69 CarbonylContact C-O 3.55Å; V9-E69 WeakPolarHBondContact CA-O 3.45Å; V9-E69 HydrophobicContact CB-CB 4.37Å; V9-E69 HydrophobicContact CG1-CB 4.47Å; V9-E69 HydrophobicContact CG1-CG 4.31Å; V9-E69 HydrophobicContact CG2-CB 3.99Å; V9-E69 HydrophobicContact CG2-CG 4.25Å; I10-E69 PolarHBondContact N-O 3.41Å; K54-E69 VanDerWaalsContact CD-CD 3.4Å; K54-E69 HydrophobicContact CD-CG 3.84Å; K54-E69 VanDerWaalsContact CD-OE2 3.29Å; K54-E69 WeakPolarHBondContact CD-OE2 3.41Å; K54-E69 WeakPolarHBondContact CE-OE1 3.35Å; K54-E69 WeakPolarHBondContact CE-OE2 3.34Å; K54-E69 HydrophobicContact CG-CG 3.54Å; K54-E69 IonicContact NZ-OE1 2.63Å; K54-E69 PolarHBondContact NZ-OE1 2.96Å; K54-E69 IonicContact NZ-OE2 2.72Å; K54-E69 PolarHBondContact NZ-OE2 3.44Å; M56-E69 HydrophobicContact CE-CB 3.63Å; M56-E69 HydrophobicContact CE-CG 4.2Å; M56-E69 HydrophobicContact SD-CB 3.69Å; M56-E69 HydrophobicContact SD-CG 3.64Å; E69-V71 HydrophobicContact CG-CG2 4.14Å; E69-V71 PolarHBondContact O-N 3.28Å
70	V	94.5	Very high	90.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	109.1	178.4	-176.5	0	0	0	0	109.4	V12 L15 Y22 T55 V57	V12-V70 HydrophobicContact CB-CG1 4.35Å; V12-V70 HydrophobicContact CG1-CG1 3.85Å; V12-V70 HydrophobicContact CG2-CG1 3.52Å; L15-V70 HydrophobicContact CD1-CG1 3.86Å; Y22-V70 HydrophobicContact CD2-CG2 3.9Å; Y22-V70 HydrophobicContact CE2-CG2 3.72Å; T55-V70 PolarHBondContact N-O 2.81Å; T55-V70 WeakPolarHBondContact O-CB 3.27Å; T55-V70 PolarHBondContact O-N 2.89Å; V57-V70 HydrophobicContact CG2-CG2 3.91Å
71	V	93.8	Very high	89.2	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	123.9	179	170.5	0	0	0	0	109.9	V9 I10 R11 V12 N45 W52 S53 E69	V9-V71 HydrophobicContact CG1-CB 4.45Å; V9-V71 HydrophobicContact CG1-CG2 3.56Å; I10-V71 PolarHBondContact O-N 3.46Å; R11-V71 WeakPolarHBondContact CA-O 3.45Å; R11-V71 HydrophobicContact CG-CB 4.24Å; R11-V71 HydrophobicContact CG-CG1 4.22Å; V12-V71 PolarHBondContact N-O 2.82Å; N45-V71 HydrophobicContact CB-CG1 4.01Å; W52-V71 HydrophobicContact CE3-CG1 4.11Å; W52-V71 HydrophobicContact CZ3-CG2 4.31Å; S53-V71 WeakPolarHBondContact O-CA 3.16Å; E69-V71 HydrophobicContact CG-CG2 4.14Å; E69-V71 PolarHBondContact O-N 3.28Å
72	Y	94.8	Very high	87.2	Confident	53 Å²	53	50.5 Å²	50.5	21%	0.208	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119.1	174.4	173.1	-110.3	0	0	0	110.1	V12 L15 W52 S53 Y74	V12-Y72 WeakPolarHBondContact O-CD2 3.17Å; L15-Y72 HydrophobicContact CB-CD1 4.24Å; L15-Y72 HydrophobicContact CB-CD2 4.03Å; L15-Y72 HydrophobicContact CB-CG 3.83Å; L15-Y72 HydrophobicContact CD2-CD1 4.41Å; W52-Y72 CarbonylContact C-O 3.47Å; W52-Y72 WeakPolarHBondContact CA-O 3.29Å; W52-Y72 WeakPolarHBondContact CB-O 2.8Å; S53-Y72 PolarHBondContact N-O 2.55Å; S53-Y72 PolarHBondContact O-N 2.88Å; Y72-Y74 HydrophobicContact CD1-CD2 4.27Å; Y72-Y74 HydrophobicContact CD1-CE2 4.15Å; Y72-Y74 HydrophobicContact CE1-CD1 4.03Å; Y72-Y74 HydrophobicContact CE1-CD2 4.15Å; Y72-Y74 HydrophobicContact CE1-CE1 4.03Å; Y72-Y74 HydrophobicContact CE1-CE2 4.18Å; Y72-Y74 HydrophobicContact CE1-CG 4.08Å
73	N	94.2	Very high	84.6	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.011	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123.4	175.3	-67.1	-90.8	0	0	0	109.9	N45 G75 I76 Y79	N45-N73 WeakPolarHBondContact CB-OD1 3.37Å; N45-N73 PolarHBondContact ND2-OD1 3.37Å; N45-N73 PolarHBondContact O-ND2 3.44Å; N45-N73 PolarHBondContact O-OD1 3.18Å; N73-G75 PolarHBondContact O-N 2.57Å; N73-I76 HydrophobicContact CB-CB 3.98Å; N73-I76 HydrophobicContact CB-CG1 3.78Å; N73-I76 PolarHBondContact O-N 2.93Å; N73-I76 VanDerWaalsContact O-N 3.09Å; N73-Y79 WeakPolarHBondContact CB-OH 2.92Å; N73-Y79 PolarHBondContact ND2-OH 3.21Å
74	Y	95.4	Very high	82.4	Confident	105 Å²	105	56.9 Å²	56.9	41%	0.412	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	128.9	-178.2	-76.3	-100.6	0	0	0	111	E35 K51 Y72 I76	E35-Y74 PolarHBondContact OE1-OH 3.38Å; E35-Y74 WeakPolarHBondContact OE2-CE2 3.3Å; E35-Y74 PolarHBondContact OE2-OH 2.95Å; K51-Y74 HydrophobicContact CB-CD2 3.79Å; K51-Y74 HydrophobicContact CB-CE2 4.47Å; K51-Y74 HydrophobicContact CB-CG 4.16Å; K51-Y74 WeakPolarHBondContact O-CD2 3.05Å; K51-Y74 PolarHBondContact O-N 3.28Å; Y72-Y74 HydrophobicContact CD1-CD2 4.27Å; Y72-Y74 HydrophobicContact CD1-CE2 4.15Å; Y72-Y74 HydrophobicContact CE1-CD1 4.03Å; Y72-Y74 HydrophobicContact CE1-CD2 4.15Å; Y72-Y74 HydrophobicContact CE1-CE1 4.03Å; Y72-Y74 HydrophobicContact CE1-CE2 4.18Å; Y72-Y74 HydrophobicContact CE1-CG 4.08Å; Y74-I76 VanDerWaalsContact C-N 3.3Å
75	G	94	Very high	79.7	Confident	76 Å²	76	60 Å²	60	78%	0.784	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	-1.7	-178.7	0	0	0	0	0	114.6	N73	N73-G75 PolarHBondContact O-N 2.57Å
76	I	90.2	Very high	77.1	Confident	52 Å²	52	67 Å²	67	27%	0.267	36%	0.362	S	S	.	.			trans	-107	102.5	174.7	-49.4	-59.3	0	0	0	108.7	F48 N73 Y74 Y79	F48-I76 HydrophobicContact CD1-CD1 4.11Å; F48-I76 HydrophobicContact CD1-CG1 4.14Å; F48-I76 HydrophobicContact CE1-CD1 4.21Å; F48-I76 HydrophobicContact CE1-CG1 4.3Å; F48-I76 HydrophobicContact CE1-CG2 4.46Å; F48-I76 HydrophobicContact CZ-CG2 4.43Å; N73-I76 HydrophobicContact CB-CB 3.98Å; N73-I76 HydrophobicContact CB-CG1 3.78Å; N73-I76 PolarHBondContact O-N 2.93Å; N73-I76 VanDerWaalsContact O-N 3.09Å; Y74-I76 VanDerWaalsContact C-N 3.3Å; I76-Y79 HydrophobicContact CG2-CD1 4.35Å; I76-Y79 HydrophobicContact CG2-CE1 3.74Å; I76-Y79 HydrophobicContact CG2-CE2 4.19Å
77	S	87.8	Confident	74.7	Confident	97 Å²	97	68.1 Å²	68.1	68%	0.678	37%	0.369	S	S	*	.			trans	-97.5	-8.2	-174.7	56.6	0	0	0	0	114.4	G13	G13-S77 WeakPolarHBondContact CA-O 3.47Å
78	S	80.7	Confident	72.4	Confident	91 Å²	91	68.6 Å²	68.6	64%	0.636	37%	0.373	S	S	*	.			trans	-147.2	145.3	177.9	62.2	0	0	0	0	109.5
79	Y	78.7	Confident	70.4	Confident	49 Å²	49	68.8 Å²	68.8	19%	0.192	37%	0.374	C	S	.	.			trans	-115.1	132.2	171.3	-64.2	-87.4	0	0	0	105.6	R11 V12 F48 N73 I76 L81	R11-Y79 HydrophobicContact CB-CD1 4.08Å; R11-Y79 HydrophobicContact CB-CD2 4.18Å; R11-Y79 HydrophobicContact CB-CE1 3.87Å; R11-Y79 HydrophobicContact CB-CE2 4Å; R11-Y79 HydrophobicContact CB-CG 4.24Å; V12-Y79 VanDerWaalsContact C-CE2 3.47Å; V12-Y79 WeakPolarHBondContact O-CE2 3.49Å; F48-Y79 HydrophobicContact CE2-CD1 4.39Å; F48-Y79 AromaticContact CE2-CE1 3.7Å; F48-Y79 HydrophobicContact CE2-CE1 3.7Å; F48-Y79 HydrophobicContact CZ-CD1 4.3Å; F48-Y79 AromaticContact CZ-CE1 3.89Å; F48-Y79 HydrophobicContact CZ-CE1 3.89Å; N73-Y79 WeakPolarHBondContact CB-OH 2.92Å; N73-Y79 PolarHBondContact ND2-OH 3.21Å; I76-Y79 HydrophobicContact CG2-CD1 4.35Å; I76-Y79 HydrophobicContact CG2-CE1 3.74Å; I76-Y79 HydrophobicContact CG2-CE2 4.19Å; Y79-L81 PolarHBondContact O-N 2.73Å; Y79-L81 VanDerWaalsContact O-N 3.14Å
80	D	68.9	Low	68.6	Low	146 Å²	146	72.2 Å²	72.2	78%	0.781	39%	0.393	S	S	*	.			trans	-59.2	123.2	159.9	-171.7	6.8	0	0	0	105.1	G82	D80-G82 VanDerWaalsContact C-N 3.33Å; D80-G82 WeakPolarHBondContact OD1-CA 3.19Å; D80-G82 PolarHBondContact OD1-N 3.25Å
81	L	63.8	Low	67	Low	113 Å²	113	73.9 Å²	73.9	59%	0.592	40%	0.401	S	S	*	.			trans	-61.5	-58.9	165.9	-64.3	174.3	0	0	0	103.5	Y79 F84	Y79-L81 PolarHBondContact O-N 2.73Å; Y79-L81 VanDerWaalsContact O-N 3.14Å; L81-F84 HydrophobicContact CB-CB 3.86Å; L81-F84 HydrophobicContact CB-CD2 4.15Å; L81-F84 HydrophobicContact CB-CG 3.89Å; L81-F84 WeakPolarHBondContact O-CD2 3.18Å; L81-F84 WeakPolarHBondContact O-CE2 3.34Å; L81-F84 WeakPolarHBondContact O-CZ 3.34Å
82	G	52	Low	65.3	Low	37 Å²	37	77 Å²	77	38%	0.381	42%	0.416	S	S	.	.			trans	116.1	-143.3	178	0	0	0	0	0	110.2	D80 F84	D80-G82 VanDerWaalsContact C-N 3.33Å; D80-G82 WeakPolarHBondContact OD1-CA 3.19Å; D80-G82 PolarHBondContact OD1-N 3.25Å; G82-F84 VanDerWaalsContact C-CD2 3.47Å; G82-F84 VanDerWaalsContact CA-CD2 3.45Å; G82-F84 VanDerWaalsContact N-CD2 3.31Å; G82-F84 PolarHBondContact O-N 3.21Å
83	N	39.4	Very low	63.8	Low	135 Å²	135	76.6 Å²	76.6	72%	0.722	42%	0.415	S	S	*	.	S	Bend	trans	-68	31.2	170.1	-76.3	-19.3	0	0	0	114.3	H85 Y86	N83-H85 PolarHBondContact O-N 3.1Å; N83-Y86 PolarHBondContact O-N 2.84Å
84	F	46.2	Very low	62	Low	71 Å²	71	80.8 Å²	80.8	31%	0.311	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-0.9	-168.5	-76	-102.2	0	0	0	113.3	L81 G82 Y86 N87 C154	L81-F84 HydrophobicContact CB-CB 3.86Å; L81-F84 HydrophobicContact CB-CD2 4.15Å; L81-F84 HydrophobicContact CB-CG 3.89Å; L81-F84 WeakPolarHBondContact O-CD2 3.18Å; L81-F84 WeakPolarHBondContact O-CE2 3.34Å; L81-F84 WeakPolarHBondContact O-CZ 3.34Å; G82-F84 VanDerWaalsContact C-CD2 3.47Å; G82-F84 VanDerWaalsContact CA-CD2 3.45Å; G82-F84 VanDerWaalsContact N-CD2 3.31Å; G82-F84 PolarHBondContact O-N 3.21Å; F84-Y86 PolarHBondContact O-N 2.71Å; F84-N87 WeakPolarHBondContact CD1-O 3.36Å; F84-C154 HydrophobicContact CD1-CB 3.39Å; F84-C154 HydrophobicContact CE1-CB 3.03Å; F84-C154 HydrophobicContact CZ-CB 4.09Å
85	H	33.7	Very low	59.9	Low	174 Å²	174	82.2 Å²	82.2	81%	0.806	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.9	157.6	-69	167.2	0	0	0	112.3	N83 R111	N83-H85 PolarHBondContact O-N 3.1Å; H85-R111 PolarHBondContact O-NH1 2.74Å
86	Y	36.1	Very low	57.5	Low	175 Å²	175	86.8 Å²	86.8	69%	0.686	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	-20.2	178.8	-62.1	-75.3	0	0	0	115.1	N83 F84 R111	N83-Y86 PolarHBondContact O-N 2.84Å; F84-Y86 PolarHBondContact O-N 2.71Å; Y86-R111 WeakPolarHBondContact O-CB 3.34Å; Y86-R111 WeakPolarHBondContact O-CD 3.27Å
87	N	42.5	Very low	55.1	Low	50 Å²	50	88.2 Å²	88.2	27%	0.267	48%	0.482	S	S	.	.			trans	-121.8	94.8	-175.8	-71.5	-4.8	0	0	0	111.3	F84	F84-N87 WeakPolarHBondContact CD1-O 3.36Å
88	A	44.9	Very low	53.1	Low	10 Å²	10	91.4 Å²	91.4	8%	0.083	49%	0.491	C	S	.	.			trans	-131.9	125.6	-173.4	0	0	0	0	0	109.3	T109 R111 E152 G153	A88-T109 CarbonylContact C-O 3.59Å; A88-R111 HydrophobicContact CB-CG 4.48Å; A88-R111 PolarHBondContact O-N 3.06Å; A88-E152 VanDerWaalsContact CB-C 3.48Å; A88-E152 HydrophobicContact CB-CB 3.32Å; A88-E152 WeakPolarHBondContact O-CA 3.2Å; A88-E152 WeakPolarHBondContact O-CB 3.42Å; A88-E152 WeakPolarHBondContact O-CG 3.2Å; A88-G153 CarbonylContact C-O 3.57Å; A88-G153 WeakPolarHBondContact CA-O 3.29Å
89	V	52.8	Low	51.5	Low	4 Å²	4	92.7 Å²	92.7	2%	0.024	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	99	135.5	-168.2	0	0	0	0	126.5	Y8 M91 V108 T109 L110 E152 G153	Y8-V89 HydrophobicContact CD1-CG1 4.14Å; Y8-V89 HydrophobicContact CD2-CG1 4.37Å; Y8-V89 HydrophobicContact CE1-CB 4.02Å; Y8-V89 HydrophobicContact CE1-CG1 3.64Å; Y8-V89 HydrophobicContact CE1-CG2 4.22Å; Y8-V89 HydrophobicContact CE2-CB 4.47Å; Y8-V89 HydrophobicContact CE2-CG1 3.95Å; Y8-V89 HydrophobicContact CE2-CG2 4.03Å; Y8-V89 HydrophobicContact CG-CG1 4.47Å; Y8-V89 VanDerWaalsContact CZ-CG2 3.48Å; Y8-V89 WeakPolarHBondContact OH-CB 3.12Å; Y8-V89 WeakPolarHBondContact OH-CG2 3.2Å; V89-M91 HydrophobicContact CG1-CG 4.45Å; V89-V108 HydrophobicContact CB-CG1 4.35Å; V89-V108 HydrophobicContact CG1-CB 4.01Å; V89-V108 HydrophobicContact CG1-CG1 3.3Å; V89-V108 HydrophobicContact CG1-CG2 4.2Å; V89-V108 HydrophobicContact CG2-CG1 4.31Å; V89-T109 WeakPolarHBondContact CA-O 3.35Å; V89-T109 PolarHBondContact N-O 3.06Å; V89-L110 HydrophobicContact CB-CD2 4.28Å; V89-L110 HydrophobicContact CG1-CD2 4.49Å; V89-L110 HydrophobicContact CG2-CD2 3.15Å; V89-E152 CarbonylContact C-O 3.58Å; V89-E152 VanDerWaalsContact C-O 3.25Å; V89-E152 VanDerWaalsContact CA-CA 3.48Å; V89-E152 VanDerWaalsContact N-C 3.26Å; V89-E152 CarbonylContact O-C 3.59Å; V89-G153 WeakPolarHBondContact CA-O 3.3Å; V89-G153 WeakPolarHBondContact CB-O 3.49Å; V89-G153 VanDerWaalsContact CG2-O 3.3Å; V89-G153 WeakPolarHBondContact CG2-O 3.4Å; V89-G153 PolarHBondContact N-O 3.02Å; V89-G153 CarbonylContact O-C 3.55Å; V89-G153 WeakPolarHBondContact O-CA 3.03Å; V89-G153 PolarHBondContact O-N 2.91Å
90	D	56.6	Low	50.2	Low	77 Å²	77	102.5 Å²	102.5	41%	0.412	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	153.3	176	-177	14.9	0	0	0	104.1	T109 G151 E152	D90-T109 PolarHBondContact O-N 2.74Å; D90-G151 VanDerWaalsContact CA-O 3.29Å; D90-G151 WeakPolarHBondContact CA-O 3.5Å; D90-G151 WeakPolarHBondContact CB-O 3.37Å; D90-G151 PolarHBondContact N-O 2.7Å; D90-E152 WeakPolarHBondContact CA-O 3.48Å; D90-E152 WeakPolarHBondContact CB-O 3.46Å; D90-E152 PolarHBondContact N-O 3.41Å
91	M	60.3	Low	49.6	Very low	35 Å²	35	101 Å²	101	17%	0.172	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	102.7	-178.5	-63.7	-178.7	-74.1	0	0	105.7	Y8 I10 L68 V89 F93 F105	Y8-M91 HydrophobicContact CD1-SD 4.29Å; I10-M91 HydrophobicContact CD1-CE 3.42Å; I10-M91 VanDerWaalsContact CD1-CE 3.42Å; I10-M91 HydrophobicContact CD1-SD 3.89Å; L68-M91 HydrophobicContact CD1-CE 4.41Å; L68-M91 HydrophobicContact CD1-SD 4.21Å; L68-M91 HydrophobicContact CD2-CE 4.45Å; L68-M91 HydrophobicContact CD2-SD 3.34Å; L68-M91 WeakPolarHBondContact CD2-SD 3.39Å; L68-M91 HydrophobicContact CG-SD 4.41Å; V89-M91 HydrophobicContact CG1-CG 4.45Å; M91-F93 HydrophobicContact CB-CE2 3.75Å; M91-F93 HydrophobicContact CB-CZ 3.83Å; M91-F93 WeakPolarHBondContact O-CD2 3.28Å; M91-F93 WeakPolarHBondContact O-CE2 3.37Å; M91-F105 HydrophobicContact CB-CE2 3.9Å; M91-F105 HydrophobicContact CB-CZ 3.95Å; M91-F105 HydrophobicContact CG-CE2 4.05Å; M91-F105 HydrophobicContact CG-CZ 3.86Å; M91-F105 HydrophobicContact SD-CE2 4.02Å; M91-F105 HydrophobicContact SD-CZ 4.21Å
92	Q	58.7	Low	49.8	Very low	65 Å²	65	99.7 Å²	99.7	30%	0.304	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	125.6	177.9	-161.7	-177	46.3	0	0	109.2	R106 R107 D149	Q92-R106 PolarHBondContact O-N 2.71Å; Q92-R107 HydrophobicContact CB-CG 3.86Å; Q92-R107 VanDerWaalsContact OE1-CZ 3.29Å; Q92-D149 PolarHBondContact OE1-O 3.21Å
93	F	63.1	Low	51.2	Low	44 Å²	44	99 Å²	99	19%	0.193	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	141	175.3	-57.5	-80	0	0	0	110.1	L26 M28 Y59 M91 T95 P104 F105	L26-F93 HydrophobicContact CD1-CD2 4.44Å; L26-F93 HydrophobicContact CD1-CE2 3.98Å; L26-F93 HydrophobicContact CD1-CZ 4.15Å; M28-F93 HydrophobicContact CE-CD1 4.09Å; M28-F93 HydrophobicContact CE-CE1 3.13Å; M28-F93 HydrophobicContact CE-CZ 3.49Å; M28-F93 VanDerWaalsContact CE-CZ 3.49Å; Y59-F93 AromaticContact CE2-CD1 3.69Å; Y59-F93 HydrophobicContact CE2-CD1 3.69Å; Y59-F93 HydrophobicContact CE2-CE1 4Å; M91-F93 HydrophobicContact CB-CE2 3.75Å; M91-F93 HydrophobicContact CB-CZ 3.83Å; M91-F93 WeakPolarHBondContact O-CD2 3.28Å; M91-F93 WeakPolarHBondContact O-CE2 3.37Å; F93-T95 PolarHBondContact O-N 2.88Å; F93-P104 CarbonylContact C-O 3.57Å; F93-P104 WeakPolarHBondContact CA-O 3.08Å; F93-F105 HydrophobicContact CD1-CD2 4.11Å; F93-F105 AromaticContact CE1-CD2 3.4Å; F93-F105 HydrophobicContact CE1-CD2 3.4Å; F93-F105 AromaticContact CE1-CE2 3.8Å; F93-F105 HydrophobicContact CE1-CE2 3.8Å; F93-F105 HydrophobicContact CE1-CG 4.31Å; F93-F105 HydrophobicContact CZ-CD2 4.05Å; F93-F105 AromaticContact CZ-CE2 3.97Å; F93-F105 HydrophobicContact CZ-CE2 3.97Å
94	L	55.9	Low	53.3	Low	91 Å²	91	94 Å²	94	48%	0.476	48%	0.483	S	S	.	.			trans	-63.8	119.5	165.2	-80.2	170.7	0	0	0	110.2	L96 P104 R106	L94-L96 PolarHBondContact O-N 3.45Å; L94-P104 HydrophobicContact CB-CB 4.3Å; L94-P104 PolarHBondContact N-O 3.29Å; L94-R106 HydrophobicContact CG-CG 4.18Å
95	T	52.2	Low	54.9	Low	134 Å²	134	91 Å²	91	82%	0.822	47%	0.47	S	S	*	.			trans	-86.7	85.9	173.9	45.3	0	0	0	0	110.8	F93	F93-T95 PolarHBondContact O-N 2.88Å
96	L	43.9	Very low	56.9	Low	172 Å²	172	85.9 Å²	85.9	90%	0.901	44%	0.443	S	S	*	.	S	Bend	trans	59	142.8	161.6	-67.8	167.8	0	0	0	120.5	L94	L94-L96 PolarHBondContact O-N 3.45Å
97	A	39.8	Very low	58.8	Low	83 Å²	83	78.4 Å²	78.4	69%	0.686	41%	0.414	S	S	*	.	S	Bend	trans	82.7	74.6	153.6	0	0	0	0	0	118.7
98	N	45.5	Very low	60.7	Low	163 Å²	163	77.7 Å²	77.7	87%	0.872	41%	0.412	S	S	*	.	S	Bend		171.5	-11.2	109.9	-88	-24.9	0	0	0	114.9
99	D	45.9	Very low	62.5	Low	118 Å²	118	78.7 Å²	78.7	63%	0.631	42%	0.417	S	S	*	.			trans	-106.4	97.7	179.6	-144.9	-23.8	0	0	0	111.4	C101	D99-C101 PolarHBondContact O-N 3Å
100	R	53.2	Low	63.9	Low	256 Å²	256	79.9 Å²	79.9	97%	0.966	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-2	-178	-60.9	-173.3	-163.4	-173.1	4.2	113.2
101	C	54.4	Low	65.1	Low	114 Å²	114	79.8 Å²	79.8	77%	0.77	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-5	-170	-145.5	0	0	0	0	113.7	D99	D99-C101 PolarHBondContact O-N 3Å
102	L	69.7	Low	66.3	Low	85 Å²	85	79.9 Å²	79.9	45%	0.445	42%	0.419	S	S	.	.	S	Bend	trans	-116	142.7	-177.2	-62.8	175.4	0	0	0	110.9	P104	L102-P104 VanDerWaalsContact O-CD 3.28Å; L102-P104 WeakPolarHBondContact O-CD 3.38Å
103	D	79.9	Confident	67.6	Low	23 Å²	23	85.7 Å²	85.7	12%	0.123	44%	0.438	C	S	.	.			trans	-57.7	120.9	170.6	-173	-1.4	0	0	0	110	H65 F66 F105 R106	H65-D103 WeakPolarHBondContact CA-OD2 3.43Å; H65-D103 VanDerWaalsContact CD2-CG 3.49Å; H65-D103 IonicContact CD2-OD1 3.86Å; H65-D103 IonicContact CD2-OD2 3.39Å; F66-D103 PolarHBondContact N-OD2 3.49Å; D103-F105 PolarHBondContact O-N 3.29Å; D103-F105 WeakPolarHBondContact OD1-CB 3.36Å; D103-F105 PolarHBondContact OD1-N 3.43Å; D103-R106 PolarHBondContact O-NH1 2.87Å
104	P	83.5	Confident	68.9	Low	30 Å²	30	87 Å²	87	20%	0.195	45%	0.447	C	S	.	.	S	Bend	trans	-63.6	-23.6	173.6	-21.7	33.9	0	0	0	113.4	Y59 F93 L94 L102 R106	Y59-P104 VanDerWaalsContact CB-CD 3.49Å; Y59-P104 HydrophobicContact CD1-CB 4.29Å; Y59-P104 HydrophobicContact CD1-CG 3.8Å; Y59-P104 HydrophobicContact CD2-CB 3.73Å; Y59-P104 HydrophobicContact CD2-CG 3.77Å; Y59-P104 HydrophobicContact CE1-CB 4.27Å; Y59-P104 HydrophobicContact CE1-CG 4.22Å; Y59-P104 HydrophobicContact CE2-CB 3.73Å; Y59-P104 HydrophobicContact CE2-CG 4.22Å; Y59-P104 HydrophobicContact CG-CB 4.02Å; Y59-P104 HydrophobicContact CG-CG 3.55Å; F93-P104 CarbonylContact C-O 3.57Å; F93-P104 WeakPolarHBondContact CA-O 3.08Å; L94-P104 HydrophobicContact CB-CB 4.3Å; L94-P104 PolarHBondContact N-O 3.29Å; L102-P104 VanDerWaalsContact O-CD 3.28Å; L102-P104 WeakPolarHBondContact O-CD 3.38Å; P104-R106 PolarHBondContact O-N 2.84Å
105	F	81	Confident	70.6	Confident	9 Å²	9	85 Å²	85	4%	0.039	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	123.6	171.8	-163.9	-72.8	0	0	0	109.6	F66 L68 M91 F93 D103 R107 V108	F66-F105 HydrophobicContact CB-CB 4.34Å; F66-F105 HydrophobicContact CB-CD1 3.86Å; F66-F105 HydrophobicContact CB-CG 4.17Å; F66-F105 AromaticContact CD1-CD1 3.24Å; F66-F105 HydrophobicContact CD1-CD1 3.24Å; F66-F105 AromaticContact CD1-CD2 3.87Å; F66-F105 HydrophobicContact CD1-CD2 3.87Å; F66-F105 AromaticContact CD1-CE1 3.15Å; F66-F105 HydrophobicContact CD1-CE1 3.15Å; F66-F105 AromaticContact CD1-CE2 3.86Å; F66-F105 HydrophobicContact CD1-CE2 3.86Å; F66-F105 AromaticContact CD1-CG 3.65Å; F66-F105 HydrophobicContact CD1-CG 3.65Å; F66-F105 AromaticContact CD1-CZ 3.51Å; F66-F105 HydrophobicContact CD1-CZ 3.51Å; F66-F105 AromaticContact CE1-CD1 3.95Å; F66-F105 HydrophobicContact CE1-CD1 3.95Å; F66-F105 HydrophobicContact CE1-CD2 4.46Å; F66-F105 AromaticContact CE1-CE1 3.33Å; F66-F105 HydrophobicContact CE1-CE1 3.33Å; F66-F105 AromaticContact CE1-CE2 3.98Å; F66-F105 HydrophobicContact CE1-CE2 3.98Å; F66-F105 AromaticContact CE1-CZ 3.38Å; F66-F105 HydrophobicContact CE1-CZ 3.38Å; F66-F105 AromaticContact CG-CD1 3.73Å; F66-F105 HydrophobicContact CG-CD1 3.73Å; F66-F105 AromaticContact CG-CE1 3.91Å; F66-F105 HydrophobicContact CG-CE1 3.91Å; F66-F105 HydrophobicContact CG-CG 4.29Å; F66-F105 HydrophobicContact CZ-CE1 4.21Å; F66-F105 HydrophobicContact CZ-CZ 4.44Å; L68-F105 HydrophobicContact CD2-CE2 3.82Å; M91-F105 HydrophobicContact CB-CE2 3.9Å; M91-F105 HydrophobicContact CB-CZ 3.95Å; M91-F105 HydrophobicContact CG-CE2 4.05Å; M91-F105 HydrophobicContact CG-CZ 3.86Å; M91-F105 HydrophobicContact SD-CE2 4.02Å; M91-F105 HydrophobicContact SD-CZ 4.21Å; F93-F105 HydrophobicContact CD1-CD2 4.11Å; F93-F105 AromaticContact CE1-CD2 3.4Å; F93-F105 HydrophobicContact CE1-CD2 3.4Å; F93-F105 AromaticContact CE1-CE2 3.8Å; F93-F105 HydrophobicContact CE1-CE2 3.8Å; F93-F105 HydrophobicContact CE1-CG 4.31Å; F93-F105 HydrophobicContact CZ-CD2 4.05Å; F93-F105 AromaticContact CZ-CE2 3.97Å; F93-F105 HydrophobicContact CZ-CE2 3.97Å; D103-F105 PolarHBondContact O-N 3.29Å; D103-F105 WeakPolarHBondContact OD1-CB 3.36Å; D103-F105 PolarHBondContact OD1-N 3.43Å; F105-R107 VanDerWaalsContact CE1-C 3.44Å; F105-R107 WeakPolarHBondContact CE1-O 3.36Å; F105-R107 VanDerWaalsContact CZ-O 3.29Å; F105-R107 WeakPolarHBondContact CZ-O 3.43Å; F105-V108 HydrophobicContact CE1-CG2 4Å; F105-V108 HydrophobicContact CZ-CG2 3.87Å
106	R	75.7	Confident	72.6	Confident	65 Å²	65	82.7 Å²	82.7	25%	0.245	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-53.2	-178.4	-62.5	-51.2	-163.5	177.9	7	112.8	Q92 L94 D103 P104 F148	Q92-R106 PolarHBondContact O-N 2.71Å; L94-R106 HydrophobicContact CG-CG 4.18Å; D103-R106 PolarHBondContact O-NH1 2.87Å; P104-R106 PolarHBondContact O-N 2.84Å; R106-F148 HydrophobicContact CB-CD1 3.99Å; R106-F148 HydrophobicContact CB-CE1 3.99Å; R106-F148 VanDerWaalsContact O-CD1 3.32Å; R106-F148 WeakPolarHBondContact O-CD1 3.49Å; R106-F148 WeakPolarHBondContact O-CE1 3.03Å; R106-F148 WeakPolarHBondContact O-CE2 3.45Å; R106-F148 WeakPolarHBondContact O-CZ 3.32Å
107	R	76	Confident	74.9	Confident	18 Å²	18	78.4 Å²	78.4	7%	0.068	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	166.1	-170.6	80.6	-167.9	57.2	-109.3	-10.1	114	Q92 F105 T109 F148 D149	Q92-R107 HydrophobicContact CB-CG 3.86Å; Q92-R107 VanDerWaalsContact OE1-CZ 3.29Å; F105-R107 VanDerWaalsContact CE1-C 3.44Å; F105-R107 WeakPolarHBondContact CE1-O 3.36Å; F105-R107 VanDerWaalsContact CZ-O 3.29Å; F105-R107 WeakPolarHBondContact CZ-O 3.43Å; R107-T109 WeakPolarHBondContact CD-OG1 3.35Å; R107-F148 HydrophobicContact CB-CG 4.49Å; R107-F148 VanDerWaalsContact CZ-CB 3.4Å; R107-F148 PolarHBondContact NH1-O 3.04Å; R107-F148 VanDerWaalsContact NH2-CB 3.29Å; R107-D149 WeakPolarHBondContact CD-O 3.41Å; R107-D149 VanDerWaalsContact CZ-CA 3.41Å; R107-D149 PolarHBondContact NE-O 2.89Å; R107-D149 PolarHBondContact NH1-O 3.03Å; R107-D149 PolarHBondContact NH2-O 3.35Å; R107-D149 VanDerWaalsContact NH2-O 3.1Å
108	V	82.7	Confident	77.4	Confident	36 Å²	36	74.8 Å²	74.8	22%	0.218	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.8	158.7	163.4	0	0	0	0	104.8	Y8 F66 V89 F105 L110	Y8-V108 HydrophobicContact CD2-CG1 3.89Å; Y8-V108 HydrophobicContact CD2-CG2 4.01Å; Y8-V108 HydrophobicContact CE2-CG1 3.89Å; Y8-V108 HydrophobicContact CG-CG2 4.13Å; F66-V108 HydrophobicContact CE1-CG2 3.87Å; F66-V108 HydrophobicContact CZ-CG2 3.65Å; V89-V108 HydrophobicContact CB-CG1 4.35Å; V89-V108 HydrophobicContact CG1-CB 4.01Å; V89-V108 HydrophobicContact CG1-CG1 3.3Å; V89-V108 HydrophobicContact CG1-CG2 4.2Å; V89-V108 HydrophobicContact CG2-CG1 4.31Å; F105-V108 HydrophobicContact CE1-CG2 4Å; F105-V108 HydrophobicContact CZ-CG2 3.87Å; V108-L110 HydrophobicContact CG1-CD2 3.61Å; V108-L110 HydrophobicContact CG1-CG 4.41Å
109	T	81.9	Confident	79.7	Confident	30 Å²	30	69.7 Å²	69.7	18%	0.184	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	121.9	171	-41.5	0	0	0	0	112.3	A88 V89 D90 R107 P150 G151	A88-T109 CarbonylContact C-O 3.59Å; V89-T109 WeakPolarHBondContact CA-O 3.35Å; V89-T109 PolarHBondContact N-O 3.06Å; D90-T109 PolarHBondContact O-N 2.74Å; R107-T109 WeakPolarHBondContact CD-OG1 3.35Å; T109-P150 HydrophobicContact CG2-CB 3.86Å; T109-P150 WeakPolarHBondContact OG1-CA 3.41Å; T109-G151 CarbonylContact C-O 3.51Å; T109-G151 WeakPolarHBondContact CA-O 3.46Å; T109-G151 VanDerWaalsContact CB-C 3.47Å; T109-G151 VanDerWaalsContact CB-N 3.27Å; T109-G151 WeakPolarHBondContact CB-O 3.46Å; T109-G151 PolarHBondContact N-O 3.33Å; T109-G151 VanDerWaalsContact N-O 3.1Å; T109-G151 PolarHBondContact OG1-N 2.89Å; T109-G151 PolarHBondContact OG1-O 2.98Å
110	L	81.7	Confident	82	Confident	30 Å²	30	66.8 Å²	66.8	16%	0.157	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	128.9	-178.8	-46.7	-179	0	0	0	108.9	V89 V108 V112 Y122 H206	V89-L110 HydrophobicContact CB-CD2 4.28Å; V89-L110 HydrophobicContact CG1-CD2 4.49Å; V89-L110 HydrophobicContact CG2-CD2 3.15Å; V108-L110 HydrophobicContact CG1-CD2 3.61Å; V108-L110 HydrophobicContact CG1-CG 4.41Å; L110-V112 HydrophobicContact CB-CG1 4.43Å; L110-Y122 WeakPolarHBondContact CD1-OH 3.5Å; L110-H206 HydrophobicContact CD1-CB 4.09Å
111	R	81.8	Confident	84	Confident	74 Å²	74	54.6 Å²	54.6	28%	0.279	27%	0.271	S	S	.	.			trans	-67.8	133.5	161.2	-73.9	-175.1	-178.2	142.7	4.4	109.9	H85 Y86 A88 E152 H206	H85-R111 PolarHBondContact O-NH1 2.74Å; Y86-R111 WeakPolarHBondContact O-CB 3.34Å; Y86-R111 WeakPolarHBondContact O-CD 3.27Å; A88-R111 HydrophobicContact CB-CG 4.48Å; A88-R111 PolarHBondContact O-N 3.06Å; R111-E152 WeakPolarHBondContact CD-OE1 3.44Å; R111-E152 HydrophobicContact CG-CB 4.17Å; R111-E152 VanDerWaalsContact CG-CD 3.49Å; R111-E152 HydrophobicContact CG-CG 3.64Å; R111-E152 WeakPolarHBondContact CG-OE1 3.22Å; R111-E152 VanDerWaalsContact CZ-CD 3.46Å; R111-E152 IonicContact CZ-OE1 3.53Å; R111-E152 IonicContact CZ-OE2 3.47Å; R111-E152 IonicContact NE-OE1 2.67Å; R111-E152 PolarHBondContact NE-OE1 2.67Å; R111-E152 IonicContact NE-OE2 3.41Å; R111-E152 PolarHBondContact NE-OE2 2.8Å; R111-E152 IonicContact NH2-OE1 3.43Å; R111-E152 IonicContact NH2-OE2 3.95Å; R111-E152 PolarHBondContact NH2-OE2 3.39Å; R111-H206 PolarHBondContact O-NE2 3.37Å
112	V	85.3	Confident	85.9	Confident	37 Å²	37	49.8 Å²	49.8	22%	0.224	24%	0.237	C	C	.	.			trans	-133.6	153.8	-178.3	-65.9	0	0	0	0	110.1	L110 L115 S118 D204	L110-V112 HydrophobicContact CB-CG1 4.43Å; V112-L115 HydrophobicContact CG2-CD2 3.75Å; V112-L115 HydrophobicContact CG2-CG 4.4Å; V112-S118 WeakPolarHBondContact CB-OG 3.35Å; V112-S118 VanDerWaalsContact CG1-OG 3.22Å; V112-S118 WeakPolarHBondContact CG1-OG 3.35Å; V112-D204 WeakPolarHBondContact CA-OD2 3.35Å; V112-D204 WeakPolarHBondContact CB-OD2 3.31Å; V112-D204 WeakPolarHBondContact CG1-OD2 3.41Å
113	R	87.1	Confident	87.1	Confident	188 Å²	188	48.8 Å²	48.8	71%	0.709	23%	0.23	S	C	*	.	S	Bend	trans	-78.2	-32.4	-180	-72.3	176.7	-63.9	135.6	6.5	112.5	P203 D204	R113-P203 PolarHBondContact NH2-O 2.96Å; R113-D204 WeakPolarHBondContact CB-OD1 3.29Å; R113-D204 WeakPolarHBondContact CD-OD1 3.4Å; R113-D204 WeakPolarHBondContact CG-OD1 3.33Å; R113-D204 IonicContact CZ-OD1 3.64Å; R113-D204 PolarHBondContact N-OD1 3.01Å; R113-D204 PolarHBondContact N-OD2 2.95Å; R113-D204 IonicContact NE-OD1 3.61Å; R113-D204 PolarHBondContact NE-OD1 2.82Å; R113-D204 IonicContact NH2-OD1 2.8Å
114	D	90.6	Very high	87.7	Confident	72 Å²	72	53.8 Å²	53.8	39%	0.385	25%	0.253	S	S	.	.			trans	-141	112.7	-179.9	-172.3	-41	0	0	0	110.1	N116 E117 S118	D114-N116 VanDerWaalsContact C-N 3.27Å; D114-N116 PolarHBondContact O-N 2.86Å; D114-N116 WeakPolarHBondContact OD1-CA 3.24Å; D114-N116 WeakPolarHBondContact OD1-CB 3.41Å; D114-N116 PolarHBondContact OD1-N 3.37Å; D114-E117 HydrophobicContact CB-CB 3.88Å; D114-E117 PolarHBondContact O-N 2.95Å; D114-E117 PolarHBondContact OD1-N 2.94Å; D114-E117 VanDerWaalsContact OD1-N 3.15Å; D114-S118 PolarHBondContact O-N 2.86Å; D114-S118 PolarHBondContact O-OG 3.29Å; D114-S118 VanDerWaalsContact O-OG 3.08Å
115	L	91.8	Very high	88.2	Confident	47 Å²	47	52.7 Å²	52.7	25%	0.246	25%	0.245	C	C	.	.	H	α-helix	trans	-60.7	-33.8	-178.6	-71.7	170.4	0	0	0	113.3	V112 R119 D136 I138	V112-L115 HydrophobicContact CG2-CD2 3.75Å; V112-L115 HydrophobicContact CG2-CG 4.4Å; L115-R119 VanDerWaalsContact O-CB 3.23Å; L115-R119 WeakPolarHBondContact O-CB 3.39Å; L115-R119 PolarHBondContact O-N 3.07Å; L115-D136 VanDerWaalsContact CD1-C 3.48Å; L115-I138 HydrophobicContact CB-CD1 3.82Å; L115-I138 HydrophobicContact CB-CG1 4.33Å; L115-I138 HydrophobicContact CD2-CG1 4.34Å
116	N	93.1	Very high	88.8	Confident	86 Å²	86	52.4 Å²	52.4	46%	0.46	24%	0.244	S	C	.	.	H	α-helix	trans	-75.7	-41.7	-179.7	-66.1	-65.5	0	0	0	110.9	D114 S118 R119 D120	D114-N116 VanDerWaalsContact C-N 3.27Å; D114-N116 PolarHBondContact O-N 2.86Å; D114-N116 WeakPolarHBondContact OD1-CA 3.24Å; D114-N116 WeakPolarHBondContact OD1-CB 3.41Å; D114-N116 PolarHBondContact OD1-N 3.37Å; N116-S118 VanDerWaalsContact C-N 3.33Å; N116-S118 PolarHBondContact O-N 3.41Å; N116-R119 PolarHBondContact O-N 2.95Å; N116-R119 PolarHBondContact OD1-NH1 2.71Å; N116-R119 PolarHBondContact OD1-NH2 3.31Å; N116-D120 WeakPolarHBondContact O-CB 3.34Å; N116-D120 PolarHBondContact O-N 3.01Å
117	E	93.1	Very high	89.6	Confident	83 Å²	83	51.4 Å²	51.4	39%	0.388	25%	0.254	S	S	.	.	H	α-helix	trans	-61.2	-44.6	176.1	-168.2	-179.6	-168.6	0	0	110.9	D114 D120 Y121 P203	D114-E117 HydrophobicContact CB-CB 3.88Å; D114-E117 PolarHBondContact O-N 2.95Å; D114-E117 PolarHBondContact OD1-N 2.94Å; D114-E117 VanDerWaalsContact OD1-N 3.15Å; E117-D120 PolarHBondContact O-N 2.9Å; E117-Y121 PolarHBondContact O-N 2.83Å; E117-P203 HydrophobicContact CG-CB 3.91Å; E117-P203 HydrophobicContact CG-CG 3.89Å
118	S	92.4	Very high	90.4	Very high	6 Å²	6	51.4 Å²	51.4	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-63.9	-48.2	174.3	-53.8	0	0	0	0	111.5	V112 D114 N116 D120 Y121 Y122	V112-S118 WeakPolarHBondContact CB-OG 3.35Å; V112-S118 VanDerWaalsContact CG1-OG 3.22Å; V112-S118 WeakPolarHBondContact CG1-OG 3.35Å; D114-S118 PolarHBondContact O-N 2.86Å; D114-S118 PolarHBondContact O-OG 3.29Å; D114-S118 VanDerWaalsContact O-OG 3.08Å; N116-S118 VanDerWaalsContact C-N 3.33Å; N116-S118 PolarHBondContact O-N 3.41Å; S118-D120 VanDerWaalsContact C-N 3.31Å; S118-D120 PolarHBondContact O-N 3.37Å; S118-Y121 WeakPolarHBondContact O-CB 3.22Å; S118-Y121 PolarHBondContact O-N 2.91Å; S118-Y121 VanDerWaalsContact O-N 3.15Å; S118-Y122 WeakPolarHBondContact O-CD2 3.41Å; S118-Y122 PolarHBondContact O-N 2.87Å
119	R	93.4	Very high	90.8	Very high	57 Å²	57	55.9 Å²	55.9	22%	0.215	27%	0.271	C	S	.	.	H	α-helix	trans	-53.7	-50.4	177.1	-177.2	-169.1	67.7	-150.3	-9	110.8	L115 N116 Y121 Y122 E123 I138	L115-R119 VanDerWaalsContact O-CB 3.23Å; L115-R119 WeakPolarHBondContact O-CB 3.39Å; L115-R119 PolarHBondContact O-N 3.07Å; N116-R119 PolarHBondContact O-N 2.95Å; N116-R119 PolarHBondContact OD1-NH1 2.71Å; N116-R119 PolarHBondContact OD1-NH2 3.31Å; R119-Y121 VanDerWaalsContact C-N 3.28Å; R119-Y121 PolarHBondContact O-N 3.08Å; R119-Y122 PolarHBondContact O-N 3.28Å; R119-E123 HydrophobicContact CG-CG 4.04Å; R119-E123 WeakPolarHBondContact O-CB 3.34Å; R119-E123 WeakPolarHBondContact O-CG 3.17Å; R119-E123 PolarHBondContact O-N 3.5Å; R119-I138 HydrophobicContact CB-CD1 4.08Å
120	D	93.8	Very high	91.2	Very high	56 Å²	56	56 Å²	56	30%	0.299	27%	0.274	S	S	.	.	H	α-helix	trans	-60	-40.3	-178.2	-70.4	0.6	0	0	0	110.8	N116 E117 S118 Q124	N116-D120 WeakPolarHBondContact O-CB 3.34Å; N116-D120 PolarHBondContact O-N 3.01Å; E117-D120 PolarHBondContact O-N 2.9Å; S118-D120 VanDerWaalsContact C-N 3.31Å; S118-D120 PolarHBondContact O-N 3.37Å; D120-Q124 WeakPolarHBondContact O-CB 3.09Å; D120-Q124 WeakPolarHBondContact O-CG 3.01Å; D120-Q124 PolarHBondContact O-N 3.45Å
121	Y	95.3	Very high	91.6	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.3	-54.7	172.1	174.6	-85.6	0	0	0	112.5	E117 S118 R119 E123 Q124 I125 L126 Y178 L200 A201 D202 P203 I208	E117-Y121 PolarHBondContact O-N 2.83Å; S118-Y121 WeakPolarHBondContact O-CB 3.22Å; S118-Y121 PolarHBondContact O-N 2.91Å; S118-Y121 VanDerWaalsContact O-N 3.15Å; R119-Y121 VanDerWaalsContact C-N 3.28Å; R119-Y121 PolarHBondContact O-N 3.08Å; Y121-E123 VanDerWaalsContact C-N 3.33Å; Y121-E123 PolarHBondContact O-N 3.01Å; Y121-Q124 PolarHBondContact O-N 3.47Å; Y121-I125 HydrophobicContact CD2-CG1 4Å; Y121-I125 HydrophobicContact CE2-CB 4.49Å; Y121-I125 HydrophobicContact CE2-CG1 4.18Å; Y121-I125 HydrophobicContact CG-CG1 4.44Å; Y121-I125 VanDerWaalsContact O-CB 3.25Å; Y121-I125 WeakPolarHBondContact O-CB 3.19Å; Y121-I125 WeakPolarHBondContact O-CG1 3.47Å; Y121-I125 PolarHBondContact O-N 3.28Å; Y121-L126 HydrophobicContact CE1-CD1 4.1Å; Y121-L126 HydrophobicContact CE1-CG 4.38Å; Y121-Y178 AromaticContact CD2-CD1 3.79Å; Y121-Y178 HydrophobicContact CD2-CD1 3.79Å; Y121-Y178 AromaticContact CD2-CD2 3.54Å; Y121-Y178 HydrophobicContact CD2-CD2 3.54Å; Y121-Y178 AromaticContact CD2-CE1 3.84Å; Y121-Y178 HydrophobicContact CD2-CE1 3.84Å; Y121-Y178 AromaticContact CD2-CE2 3.57Å; Y121-Y178 HydrophobicContact CD2-CE2 3.57Å; Y121-Y178 AromaticContact CD2-CG 3.65Å; Y121-Y178 HydrophobicContact CD2-CG 3.65Å; Y121-Y178 AromaticContact CD2-CZ 3.72Å; Y121-Y178 HydrophobicContact CE2-CD1 4.18Å; Y121-Y178 AromaticContact CE2-CD2 3.89Å; Y121-Y178 HydrophobicContact CE2-CD2 3.89Å; Y121-Y178 HydrophobicContact CE2-CE2 4.38Å; Y121-Y178 AromaticContact CE2-CG 3.78Å; Y121-Y178 HydrophobicContact CE2-CG 3.78Å; Y121-Y178 HydrophobicContact CG-CE2 4.41Å; Y121-L200 WeakPolarHBondContact OH-CB 3.17Å; Y121-A201 PolarHBondContact OH-O 2.9Å; Y121-D202 HydrophobicContact CD1-CB 3.83Å; Y121-D202 HydrophobicContact CE1-CB 3.64Å; Y121-D202 HydrophobicContact CE2-CB 4.37Å; Y121-D202 HydrophobicContact CG-CB 4.31Å; Y121-P203 HydrophobicContact CD2-CG 4.37Å; Y121-P203 HydrophobicContact CG-CG 4.29Å; Y121-I208 HydrophobicContact CE1-CD1 3.53Å; Y121-I208 WeakPolarHBondContact OH-CD1 3.37Å
122	Y	94.1	Very high	91.8	Very high	13 Å²	13	56.5 Å²	56.5	5%	0.051	29%	0.285	C	S	.	.	H	α-helix	trans	-66.9	-34	-175.1	-76.1	-80.7	0	0	0	112	L110 S118 R119 L126 G127 M128 L140 D202 I208	L110-Y122 WeakPolarHBondContact CD1-OH 3.5Å; S118-Y122 WeakPolarHBondContact O-CD2 3.41Å; S118-Y122 PolarHBondContact O-N 2.87Å; R119-Y122 PolarHBondContact O-N 3.28Å; Y122-L126 HydrophobicContact CD1-CD1 3.63Å; Y122-L126 HydrophobicContact CE1-CD1 3.91Å; Y122-L126 CarbonylContact O-C 3.58Å; Y122-L126 WeakPolarHBondContact O-CA 3.08Å; Y122-L126 WeakPolarHBondContact O-CB 3.21Å; Y122-L126 PolarHBondContact O-N 3.1Å; Y122-G127 PolarHBondContact O-N 3.33Å; Y122-G127 VanDerWaalsContact O-N 3.11Å; Y122-M128 HydrophobicContact CD1-SD 3.62Å; Y122-M128 HydrophobicContact CG-SD 4.28Å; Y122-M128 PolarHBondContact O-N 2.94Å; Y122-M128 VanDerWaalsContact O-N 3.08Å; Y122-L140 HydrophobicContact CD1-CD1 4.35Å; Y122-L140 HydrophobicContact CD2-CD1 3.56Å; Y122-L140 HydrophobicContact CE2-CD1 4.47Å; Y122-L140 HydrophobicContact CG-CD1 3.56Å; Y122-D202 HydrophobicContact CE2-CB 4.37Å; Y122-D202 PolarHBondContact OH-OD2 3.07Å; Y122-I208 HydrophobicContact CE1-CD1 3.97Å
123	E	94.3	Very high	91.9	Very high	64 Å²	64	59.5 Å²	59.5	30%	0.299	30%	0.299	S	S	.	.	H	α-helix	trans	-74	-47.8	175.4	-66.3	-167.5	153.5	0	0	112	R119 Y121 G127 M128 S130 L140	R119-E123 HydrophobicContact CG-CG 4.04Å; R119-E123 WeakPolarHBondContact O-CB 3.34Å; R119-E123 WeakPolarHBondContact O-CG 3.17Å; R119-E123 PolarHBondContact O-N 3.5Å; Y121-E123 VanDerWaalsContact C-N 3.33Å; Y121-E123 PolarHBondContact O-N 3.01Å; E123-G127 WeakPolarHBondContact O-CA 2.98Å; E123-G127 PolarHBondContact O-N 2.99Å; E123-M128 WeakPolarHBondContact CA-O 3.35Å; E123-M128 WeakPolarHBondContact CG-O 3.18Å; E123-S130 WeakPolarHBondContact OE1-CB 3.34Å; E123-S130 PolarHBondContact OE1-N 2.66Å; E123-S130 PolarHBondContact OE1-OG 2.64Å; E123-L140 HydrophobicContact CG-CD2 4.27Å
124	Q	93.7	Very high	92	Very high	128 Å²	128	56.2 Å²	56.2	60%	0.598	29%	0.292	S	S	*	.	H	α-helix	trans	-78.9	-39.1	-172.7	-64.5	177.2	25.5	0	0	113.3	D120 Y121	D120-Q124 WeakPolarHBondContact O-CB 3.09Å; D120-Q124 WeakPolarHBondContact O-CG 3.01Å; D120-Q124 PolarHBondContact O-N 3.45Å; Y121-Q124 PolarHBondContact O-N 3.47Å
125	I	94.5	Very high	91.8	Very high	8 Å²	8	61 Å²	61	4%	0.041	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-45.8	-175.6	-52.8	-53.1	0	0	0	110.3	R3 Y121 I169 A172 A173 A176 Y178 L200	R3-I125 PolarHBondContact NH1-O 3.18Å; Y121-I125 HydrophobicContact CD2-CG1 4Å; Y121-I125 HydrophobicContact CE2-CB 4.49Å; Y121-I125 HydrophobicContact CE2-CG1 4.18Å; Y121-I125 HydrophobicContact CG-CG1 4.44Å; Y121-I125 VanDerWaalsContact O-CB 3.25Å; Y121-I125 WeakPolarHBondContact O-CB 3.19Å; Y121-I125 WeakPolarHBondContact O-CG1 3.47Å; Y121-I125 PolarHBondContact O-N 3.28Å; I125-I169 HydrophobicContact CG2-CG2 4.4Å; I125-A172 HydrophobicContact CD1-CB 4.08Å; I125-A173 HydrophobicContact CG2-CB 4.19Å; I125-A176 HydrophobicContact CD1-CB 4.07Å; I125-Y178 HydrophobicContact CD1-CD2 3.93Å; I125-Y178 HydrophobicContact CD1-CE2 4.14Å; I125-Y178 HydrophobicContact CG1-CD2 3.77Å; I125-Y178 HydrophobicContact CG1-CE2 3.89Å; I125-L200 HydrophobicContact CG2-CD1 3.8Å
126	L	92.9	Very high	91.6	Very high	2 Å²	2	65 Å²	65	1%	0.01	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-9.6	-175	-57.5	-179.7	0	0	0	113.3	R3 Y121 Y122 M128 F142 F159 I208	R3-L126 WeakPolarHBondContact CD-O 3Å; R3-L126 PolarHBondContact NH1-O 3.28Å; Y121-L126 HydrophobicContact CE1-CD1 4.1Å; Y121-L126 HydrophobicContact CE1-CG 4.38Å; Y122-L126 HydrophobicContact CD1-CD1 3.63Å; Y122-L126 HydrophobicContact CE1-CD1 3.91Å; Y122-L126 CarbonylContact O-C 3.58Å; Y122-L126 WeakPolarHBondContact O-CA 3.08Å; Y122-L126 WeakPolarHBondContact O-CB 3.21Å; Y122-L126 PolarHBondContact O-N 3.1Å; L126-M128 HydrophobicContact CB-CG 4.15Å; L126-M128 PolarHBondContact O-N 2.92Å; L126-F142 VanDerWaalsContact O-CE1 3.25Å; L126-F142 WeakPolarHBondContact O-CE1 3.47Å; L126-F159 HydrophobicContact CD1-CD2 4.07Å; L126-F159 HydrophobicContact CD1-CE2 3.78Å; L126-I208 HydrophobicContact CD1-CD1 4.11Å; L126-I208 HydrophobicContact CD1-CG2 4.11Å; L126-I208 HydrophobicContact CD2-CG2 4.47Å
127	G	92.2	Very high	91.4	Very high	44 Å²	44	61.5 Å²	61.5	45%	0.454	32%	0.321	S	S	.	.			trans	66.5	23.9	177.3	0	0	0	0	0	113	Y122 E123	Y122-G127 PolarHBondContact O-N 3.33Å; Y122-G127 VanDerWaalsContact O-N 3.11Å; E123-G127 WeakPolarHBondContact O-CA 2.98Å; E123-G127 PolarHBondContact O-N 2.99Å
128	M	92.6	Very high	91	Very high	19 Å²	19	59 Å²	59	9%	0.094	31%	0.31	C	S	.	.			trans	-72.6	161.3	171.1	-61	-176.1	86.6	0	0	109.7	Y122 E123 L126 L140 A141 F142 F159	Y122-M128 HydrophobicContact CD1-SD 3.62Å; Y122-M128 HydrophobicContact CG-SD 4.28Å; Y122-M128 PolarHBondContact O-N 2.94Å; Y122-M128 VanDerWaalsContact O-N 3.08Å; E123-M128 WeakPolarHBondContact CA-O 3.35Å; E123-M128 WeakPolarHBondContact CG-O 3.18Å; L126-M128 HydrophobicContact CB-CG 4.15Å; L126-M128 PolarHBondContact O-N 2.92Å; M128-L140 HydrophobicContact CB-CB 4.32Å; M128-L140 HydrophobicContact CB-CD2 4.15Å; M128-L140 VanDerWaalsContact CE-C 3.49Å; M128-L140 HydrophobicContact CE-CB 3.87Å; M128-L140 VanDerWaalsContact CE-O 3.28Å; M128-L140 WeakPolarHBondContact CE-O 2.81Å; M128-L140 HydrophobicContact SD-CB 4.1Å; M128-A141 WeakPolarHBondContact CA-O 3.49Å; M128-F142 HydrophobicContact CG-CD1 3.83Å; M128-F142 HydrophobicContact CG-CE1 3.42Å; M128-F142 VanDerWaalsContact CG-CE1 3.42Å; M128-F142 HydrophobicContact CG-CZ 4Å; M128-F142 HydrophobicContact SD-CE1 4.47Å; M128-F159 HydrophobicContact CE-CE1 4.49Å; M128-F159 HydrophobicContact SD-CZ 4.4Å
129	K	91.5	Very high	90.7	Very high	129 Å²	129	59.1 Å²	59.1	56%	0.561	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	133	171.2	-65.4	-178.4	-177.2	174.7	0	109.3	L140 A141	K129-L140 WeakPolarHBondContact O-CA 3.43Å; K129-A141 PolarHBondContact N-O 3.45Å; K129-A141 PolarHBondContact O-N 2.79Å; K129-A141 VanDerWaalsContact O-N 3.13Å
130	S	90	Very high	90.4	Very high	34 Å²	34	58.4 Å²	58.4	24%	0.238	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	141.7	169.4	58.3	0	0	0	0	112.5	E123 S139	E123-S130 WeakPolarHBondContact OE1-CB 3.34Å; E123-S130 PolarHBondContact OE1-N 2.66Å; E123-S130 PolarHBondContact OE1-OG 2.64Å; S130-S139 CarbonylContact C-O 3.56Å; S130-S139 VanDerWaalsContact CA-O 3.26Å; S130-S139 WeakPolarHBondContact CA-O 3.34Å
131	S	90.5	Very high	89.9	Confident	42 Å²	42	56.1 Å²	56.1	29%	0.294	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	173.1	170.9	63.9	0	0	0	0	109.3	I133 S139	S131-I133 VanDerWaalsContact C-N 3.29Å; S131-I133 PolarHBondContact O-N 3.04Å; S131-S139 PolarHBondContact N-O 2.88Å; S131-S139 WeakPolarHBondContact O-CB 2.73Å; S131-S139 PolarHBondContact O-N 2.91Å; S131-S139 WeakPolarHBondContact OG-CB 3.3Å
132	N	86.5	Confident	89.2	Confident	72 Å²	72	57.8 Å²	57.8	39%	0.385	31%	0.307	S	S	.	.	S	Bend	trans	45.6	51	178.5	-52.5	-35.8	0	0	0	113.2	E134 S139 D147	N132-E134 PolarHBondContact O-N 2.95Å; N132-S139 PolarHBondContact ND2-OG 2.55Å; N132-D147 PolarHBondContact ND2-OD1 2.79Å
133	I	86.9	Confident	88.3	Confident	100 Å²	100	59.2 Å²	59.2	51%	0.513	32%	0.32	S	S	.	.			trans	-75.6	107.2	-179.2	-58.6	172.5	0	0	0	108.1	S131 I138	S131-I133 VanDerWaalsContact C-N 3.29Å; S131-I133 PolarHBondContact O-N 3.04Å; I133-I138 HydrophobicContact CG1-CG1 4.45Å; I133-I138 HydrophobicContact CG1-CG2 4.21Å; I133-I138 HydrophobicContact CG2-CD1 4.42Å; I133-I138 HydrophobicContact CG2-CG1 4.23Å
134	E	88.2	Confident	86.7	Confident	119 Å²	119	62.7 Å²	62.7	56%	0.556	34%	0.34	S	S	*	.			trans	-108.7	-178.7	175.3	-59.4	-170.3	164.6	0	0	110.5	N132 D136 S137	N132-E134 PolarHBondContact O-N 2.95Å; E134-D136 VanDerWaalsContact C-N 3.28Å; E134-D136 PolarHBondContact O-N 3.19Å; E134-S137 PolarHBondContact N-O 3.31Å; E134-S137 PolarHBondContact OE2-OG 2.84Å
135	N	86.2	Confident	85	Confident	173 Å²	173	64 Å²	64	93%	0.925	35%	0.351	S	S	*	.	S	Bend	trans	-70.5	-27.3	-179.2	-71.3	-29.1	0	0	0	112.7
136	D	88.3	Confident	82.9	Confident	129 Å²	129	65.7 Å²	65.7	69%	0.69	36%	0.359	S	S	*	.	S	Bend	trans	-128	1.5	-172.4	61.1	-15.3	0	0	0	113.4	L115 E134	L115-D136 VanDerWaalsContact CD1-C 3.48Å; E134-D136 VanDerWaalsContact C-N 3.28Å; E134-D136 PolarHBondContact O-N 3.19Å
137	S	88.6	Confident	80.2	Confident	13 Å²	13	70.7 Å²	70.7	9%	0.091	39%	0.386	C	S	.	.			trans	-150	154.2	178	75.7	0	0	0	0	113.2	E134	E134-S137 PolarHBondContact N-O 3.31Å; E134-S137 PolarHBondContact OE2-OG 2.84Å
138	I	85.8	Confident	77.8	Confident	30 Å²	30	70.4 Å²	70.4	15%	0.154	37%	0.372	C	S	.	.			trans	-139.5	139	171.8	-60.2	179.3	0	0	0	107.6	L115 R119 I133 L140	L115-I138 HydrophobicContact CB-CD1 3.82Å; L115-I138 HydrophobicContact CB-CG1 4.33Å; L115-I138 HydrophobicContact CD2-CG1 4.34Å; R119-I138 HydrophobicContact CB-CD1 4.08Å; I133-I138 HydrophobicContact CG1-CG1 4.45Å; I133-I138 HydrophobicContact CG1-CG2 4.21Å; I133-I138 HydrophobicContact CG2-CD1 4.42Å; I133-I138 HydrophobicContact CG2-CG1 4.23Å; I138-L140 HydrophobicContact CG2-CG 4.47Å
139	S	86	Confident	74.9	Confident	10 Å²	10	75 Å²	75	7%	0.07	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	140.4	170.1	-63.8	0	0	0	0	110.8	S130 S131 N132 F148	S130-S139 CarbonylContact C-O 3.56Å; S130-S139 VanDerWaalsContact CA-O 3.26Å; S130-S139 WeakPolarHBondContact CA-O 3.34Å; S131-S139 PolarHBondContact N-O 2.88Å; S131-S139 WeakPolarHBondContact O-CB 2.73Å; S131-S139 PolarHBondContact O-N 2.91Å; S131-S139 WeakPolarHBondContact OG-CB 3.3Å; N132-S139 PolarHBondContact ND2-OG 2.55Å; S139-F148 PolarHBondContact OG-O 2.84Å
140	L	85.4	Confident	71.9	Confident	42 Å²	42	71.7 Å²	71.7	22%	0.22	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	130	178.3	-72.8	158	0	0	0	109.8	Y122 E123 M128 K129 I138	Y122-L140 HydrophobicContact CD1-CD1 4.35Å; Y122-L140 HydrophobicContact CD2-CD1 3.56Å; Y122-L140 HydrophobicContact CE2-CD1 4.47Å; Y122-L140 HydrophobicContact CG-CD1 3.56Å; E123-L140 HydrophobicContact CG-CD2 4.27Å; M128-L140 HydrophobicContact CB-CB 4.32Å; M128-L140 HydrophobicContact CB-CD2 4.15Å; M128-L140 VanDerWaalsContact CE-C 3.49Å; M128-L140 HydrophobicContact CE-CB 3.87Å; M128-L140 VanDerWaalsContact CE-O 3.28Å; M128-L140 WeakPolarHBondContact CE-O 2.81Å; M128-L140 HydrophobicContact SD-CB 4.1Å; K129-L140 WeakPolarHBondContact O-CA 3.43Å; I138-L140 HydrophobicContact CG2-CG 4.47Å
141	A	83.4	Confident	68.9	Low	7 Å²	7	70.6 Å²	70.6	6%	0.058	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	160.3	-178.8	0	0	0	0	0	113.2	M128 K129 Q146	M128-A141 WeakPolarHBondContact CA-O 3.49Å; K129-A141 PolarHBondContact N-O 3.45Å; K129-A141 PolarHBondContact O-N 2.79Å; K129-A141 VanDerWaalsContact O-N 3.13Å; A141-Q146 HydrophobicContact CB-CB 3.59Å; A141-Q146 WeakPolarHBondContact CB-O 3.19Å
142	F	81.8	Confident	66.1	Low	35 Å²	35	73.2 Å²	73.2	15%	0.154	39%	0.39	C	S	.	.	S	Bend	trans	-86.5	-18.3	170.5	-67.7	-53.2	0	0	0	113.4	R3 L126 M128 F159	R3-F142 HydrophobicContact CB-CD1 3.67Å; R3-F142 HydrophobicContact CB-CD2 4.02Å; R3-F142 HydrophobicContact CB-CE1 3.74Å; R3-F142 HydrophobicContact CB-CE2 4.03Å; R3-F142 HydrophobicContact CB-CG 3.84Å; R3-F142 HydrophobicContact CB-CZ 3.91Å; R3-F142 HydrophobicContact CG-CE1 4.44Å; L126-F142 VanDerWaalsContact O-CE1 3.25Å; L126-F142 WeakPolarHBondContact O-CE1 3.47Å; M128-F142 HydrophobicContact CG-CD1 3.83Å; M128-F142 HydrophobicContact CG-CE1 3.42Å; M128-F142 VanDerWaalsContact CG-CE1 3.42Å; M128-F142 HydrophobicContact CG-CZ 4Å; M128-F142 HydrophobicContact SD-CE1 4.47Å; F142-F159 HydrophobicContact CE2-CB 4.08Å; F142-F159 AromaticContact CE2-CD1 3.43Å; F142-F159 HydrophobicContact CE2-CD1 3.43Å; F142-F159 VanDerWaalsContact CE2-CD1 3.43Å; F142-F159 HydrophobicContact CE2-CE1 4.03Å; F142-F159 AromaticContact CE2-CG 3.91Å; F142-F159 HydrophobicContact CE2-CG 3.91Å; F142-F159 HydrophobicContact CZ-CB 4.14Å; F142-F159 AromaticContact CZ-CD1 3.86Å; F142-F159 HydrophobicContact CZ-CD1 3.86Å; F142-F159 HydrophobicContact CZ-CE1 4.38Å; F142-F159 AromaticContact CZ-CG 3.95Å; F142-F159 HydrophobicContact CZ-CG 3.95Å
143	S	75.2	Confident	63.6	Low	44 Å²	44	71 Å²	71	31%	0.308	38%	0.384	S	S	.	.	S	Bend	trans	-151.1	155.2	-177.1	57.4	0	0	0	0	111	D145 Q146	S143-D145 PolarHBondContact O-N 2.66Å; S143-Q146 WeakPolarHBondContact O-CB 3.09Å; S143-Q146 PolarHBondContact O-N 3.32Å
144	D	60.5	Low	61.5	Low	136 Å²	136	68.2 Å²	68.2	73%	0.727	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-18.4	-176.5	-55.2	-25.4	0	0	0	113.6	Q146	D144-Q146 PolarHBondContact O-N 3.42Å
145	D	57.6	Low	60.4	Low	157 Å²	157	63.9 Å²	63.9	84%	0.84	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	10	176.2	-62.7	-34.8	0	0	0	113.7	S143	S143-D145 PolarHBondContact O-N 2.66Å
146	Q	51.1	Low	60.1	Low	43 Å²	43	56 Å²	56	20%	0.201	32%	0.319	C	S	.	.			trans	-123.5	69.6	-178.1	-76.5	-179.3	3.5	0	0	108.5	A141 S143 D144 F148	A141-Q146 HydrophobicContact CB-CB 3.59Å; A141-Q146 WeakPolarHBondContact CB-O 3.19Å; S143-Q146 WeakPolarHBondContact O-CB 3.09Å; S143-Q146 PolarHBondContact O-N 3.32Å; D144-Q146 PolarHBondContact O-N 3.42Å; Q146-F148 VanDerWaalsContact C-CD2 3.4Å; Q146-F148 VanDerWaalsContact CA-CE2 3.43Å; Q146-F148 HydrophobicContact CB-CD2 4.17Å; Q146-F148 HydrophobicContact CB-CE2 3.31Å; Q146-F148 HydrophobicContact CB-CZ 3.6Å; Q146-F148 HydrophobicContact CG-CE2 3.95Å; Q146-F148 HydrophobicContact CG-CZ 3.9Å; Q146-F148 WeakPolarHBondContact O-CD2 3.09Å; Q146-F148 WeakPolarHBondContact O-CE2 3.15Å
147	D	35.9	Very low	60.2	Low	107 Å²	107	50.3 Å²	50.3	57%	0.572	29%	0.288	S	S	*	.			trans	-113.1	130.1	-176.4	-159.7	13.2	0	0	0	112.6	N132	N132-D147 PolarHBondContact ND2-OD1 2.79Å
148	F	42	Very low	60.4	Low	38 Å²	38	49.7 Å²	49.7	17%	0.167	28%	0.284	C	S	.	.			trans	-154.5	117.1	-145.2	-65	-43.8	0	0	0	115.8	R106 R107 S139 Q146	R106-F148 HydrophobicContact CB-CD1 3.99Å; R106-F148 HydrophobicContact CB-CE1 3.99Å; R106-F148 VanDerWaalsContact O-CD1 3.32Å; R106-F148 WeakPolarHBondContact O-CD1 3.49Å; R106-F148 WeakPolarHBondContact O-CE1 3.03Å; R106-F148 WeakPolarHBondContact O-CE2 3.45Å; R106-F148 WeakPolarHBondContact O-CZ 3.32Å; R107-F148 HydrophobicContact CB-CG 4.49Å; R107-F148 VanDerWaalsContact CZ-CB 3.4Å; R107-F148 PolarHBondContact NH1-O 3.04Å; R107-F148 VanDerWaalsContact NH2-CB 3.29Å; S139-F148 PolarHBondContact OG-O 2.84Å; Q146-F148 VanDerWaalsContact C-CD2 3.4Å; Q146-F148 VanDerWaalsContact CA-CE2 3.43Å; Q146-F148 HydrophobicContact CB-CD2 4.17Å; Q146-F148 HydrophobicContact CB-CE2 3.31Å; Q146-F148 HydrophobicContact CB-CZ 3.6Å; Q146-F148 HydrophobicContact CG-CE2 3.95Å; Q146-F148 HydrophobicContact CG-CZ 3.9Å; Q146-F148 WeakPolarHBondContact O-CD2 3.09Å; Q146-F148 WeakPolarHBondContact O-CE2 3.15Å
149	D	32.2	Very low	60.8	Low	114 Å²	114	49 Å²	49	61%	0.61	28%	0.28	S	S	*	.			trans	-71.6	114.3	156.8	-169.4	23.3	0	0	0	125.2	Q92 R107	Q92-D149 PolarHBondContact OE1-O 3.21Å; R107-D149 WeakPolarHBondContact CD-O 3.41Å; R107-D149 VanDerWaalsContact CZ-CA 3.41Å; R107-D149 PolarHBondContact NE-O 2.89Å; R107-D149 PolarHBondContact NH1-O 3.03Å; R107-D149 PolarHBondContact NH2-O 3.35Å; R107-D149 VanDerWaalsContact NH2-O 3.1Å
150	P	28.6	Very low	61.3	Low	61 Å²	61	48.6 Å²	48.6	40%	0.396	28%	0.277	S	S	.	.			trans	-64.9	157	-154.6	26.4	-38.9	0	0	0	123.5	T109	T109-P150 HydrophobicContact CG2-CB 3.86Å; T109-P150 WeakPolarHBondContact OG1-CA 3.41Å
151	G	26.8	Very low	61.8	Low	11 Å²	11	46.7 Å²	46.7	11%	0.113	27%	0.267	C	S	.	.			trans	-174.3	163.3	163.1	0	0	0	0	0	119.8	D90 T109	D90-G151 VanDerWaalsContact CA-O 3.29Å; D90-G151 WeakPolarHBondContact CA-O 3.5Å; D90-G151 WeakPolarHBondContact CB-O 3.37Å; D90-G151 PolarHBondContact N-O 2.7Å; T109-G151 CarbonylContact C-O 3.51Å; T109-G151 WeakPolarHBondContact CA-O 3.46Å; T109-G151 VanDerWaalsContact CB-C 3.47Å; T109-G151 VanDerWaalsContact CB-N 3.27Å; T109-G151 WeakPolarHBondContact CB-O 3.46Å; T109-G151 PolarHBondContact N-O 3.33Å; T109-G151 VanDerWaalsContact N-O 3.1Å; T109-G151 PolarHBondContact OG1-N 2.89Å; T109-G151 PolarHBondContact OG1-O 2.98Å
152	E	31.2	Very low	62.5	Low	96 Å²	96	46.9 Å²	46.9	45%	0.449	27%	0.267	S	S	.	.			trans	-119.1	0	-162.7	-45.2	160	140.9	0	0	123.1	A88 V89 D90 R111	A88-E152 VanDerWaalsContact CB-C 3.48Å; A88-E152 HydrophobicContact CB-CB 3.32Å; A88-E152 WeakPolarHBondContact O-CA 3.2Å; A88-E152 WeakPolarHBondContact O-CB 3.42Å; A88-E152 WeakPolarHBondContact O-CG 3.2Å; V89-E152 CarbonylContact C-O 3.58Å; V89-E152 VanDerWaalsContact C-O 3.25Å; V89-E152 VanDerWaalsContact CA-CA 3.48Å; V89-E152 VanDerWaalsContact N-C 3.26Å; V89-E152 CarbonylContact O-C 3.59Å; D90-E152 WeakPolarHBondContact CA-O 3.48Å; D90-E152 WeakPolarHBondContact CB-O 3.46Å; D90-E152 PolarHBondContact N-O 3.41Å; R111-E152 WeakPolarHBondContact CD-OE1 3.44Å; R111-E152 HydrophobicContact CG-CB 4.17Å; R111-E152 VanDerWaalsContact CG-CD 3.49Å; R111-E152 HydrophobicContact CG-CG 3.64Å; R111-E152 WeakPolarHBondContact CG-OE1 3.22Å; R111-E152 VanDerWaalsContact CZ-CD 3.46Å; R111-E152 IonicContact CZ-OE1 3.53Å; R111-E152 IonicContact CZ-OE2 3.47Å; R111-E152 IonicContact NE-OE1 2.67Å; R111-E152 PolarHBondContact NE-OE1 2.67Å; R111-E152 IonicContact NE-OE2 3.41Å; R111-E152 PolarHBondContact NE-OE2 2.8Å; R111-E152 IonicContact NH2-OE1 3.43Å; R111-E152 IonicContact NH2-OE2 3.95Å; R111-E152 PolarHBondContact NH2-OE2 3.39Å
153	G	33.2	Very low	63.2	Low	25 Å²	25	47.3 Å²	47.3	26%	0.258	27%	0.273	S	S	.	.				0	-153.4	0	0	0	0	0	0	123.5	A88 V89	A88-G153 CarbonylContact C-O 3.57Å; A88-G153 WeakPolarHBondContact CA-O 3.29Å; V89-G153 WeakPolarHBondContact CA-O 3.3Å; V89-G153 WeakPolarHBondContact CB-O 3.49Å; V89-G153 VanDerWaalsContact CG2-O 3.3Å; V89-G153 WeakPolarHBondContact CG2-O 3.4Å; V89-G153 PolarHBondContact N-O 3.02Å; V89-G153 CarbonylContact O-C 3.55Å; V89-G153 WeakPolarHBondContact O-CA 3.03Å; V89-G153 PolarHBondContact O-N 2.91Å
154	C	43.2	Very low	64.2	Low	42 Å²	42	51.5 Å²	51.5	28%	0.284	29%	0.292	S	S	.	.			trans	-161.6	154	-167.3	64.7	0	0	0	0	122.3	Y8 F84	Y8-C154 WeakPolarHBondContact CE1-O 3.14Å; Y8-C154 VanDerWaalsContact CZ-C 3.44Å; Y8-C154 WeakPolarHBondContact OH-CA 3.28Å; F84-C154 HydrophobicContact CD1-CB 3.39Å; F84-C154 HydrophobicContact CE1-CB 3.03Å; F84-C154 HydrophobicContact CZ-CB 4.09Å
155	G	65	Low	66	Low	29 Å²	29	47.8 Å²	47.8	30%	0.299	27%	0.271	S	S	.	.			trans	147.6	-164.4	-163.2	0	0	0	0	0	117.6	Y8 V9	Y8-G155 VanDerWaalsContact OH-C 3.32Å; Y8-G155 WeakPolarHBondContact OH-CA 3.34Å; Y8-G155 PolarHBondContact OH-N 2.55Å; Y8-G155 PolarHBondContact OH-O 2.82Å; V9-G155 WeakPolarHBondContact O-CA 3.35Å
156	R	80.5	Confident	67.9	Low	8 Å²	8	40.4 Å²	40.4	3%	0.03	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	132.8	175.2	177.9	-173.2	-65.5	-177.4	-3.5	109.4	V9 A42 T43 C44 E207 C209	V9-R156 HydrophobicContact CB-CB 4Å; V9-R156 HydrophobicContact CG2-CB 3.95Å; V9-R156 WeakPolarHBondContact CG2-O 3.38Å; V9-R156 PolarHBondContact N-O 3.03Å; V9-R156 PolarHBondContact O-N 3.25Å; A42-R156 PolarHBondContact O-NH1 3.39Å; A42-R156 PolarHBondContact O-NH2 2.93Å; T43-R156 PolarHBondContact O-NH2 2.82Å; C44-R156 PolarHBondContact SG-NH1 2.87Å; C44-R156 VanDerWaalsContact SG-NH1 3.39Å; R156-E207 WeakPolarHBondContact CA-O 3.36Å; R156-E207 HydrophobicContact CB-CB 4.06Å; R156-E207 HydrophobicContact CG-CB 3.86Å; R156-E207 WeakPolarHBondContact CG-O 3.37Å; R156-E207 IonicContact CZ-OE2 2.75Å; R156-E207 IonicContact NE-OE2 3.89Å; R156-E207 PolarHBondContact NE-OE2 2.8Å; R156-E207 IonicContact NH2-OE2 2.9Å; R156-E207 PolarHBondContact NH2-OE2 2.85Å; R156-C209 HydrophobicContact CG-CB 4.44Å
157	T	89.2	Confident	70.1	Confident	9 Å²	9	40.9 Å²	40.9	6%	0.055	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	135.7	174.5	-52.4	0	0	0	0	109.8	Y8 F159 E207 I208 C209	Y8-T157 WeakPolarHBondContact CD2-OG1 3.21Å; Y8-T157 WeakPolarHBondContact CE2-OG1 3.36Å; T157-F159 HydrophobicContact CG2-CD1 4.45Å; T157-F159 HydrophobicContact CG2-CE1 3.74Å; T157-F159 HydrophobicContact CG2-CE2 3.86Å; T157-F159 HydrophobicContact CG2-CZ 3.41Å; T157-F159 VanDerWaalsContact CG2-CZ 3.41Å; T157-E207 PolarHBondContact N-O 3.13Å; T157-I208 CarbonylContact O-C 3.59Å; T157-I208 WeakPolarHBondContact O-CA 3.3Å; T157-C209 PolarHBondContact O-N 3.34Å
158	A	93.1	Very high	73.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.1	176.3	0	0	0	0	0	112.3	L6 H7 C209	L6-A158 HydrophobicContact CB-CB 4.22Å; L6-A158 WeakPolarHBondContact CB-O 3.39Å; L6-A158 HydrophobicContact CD1-CB 4.39Å; L6-A158 PolarHBondContact N-O 2.93Å; H7-A158 VanDerWaalsContact CE1-CB 3.42Å; H7-A158 WeakPolarHBondContact CE1-CB 2.7Å; H7-A158 WeakPolarHBondContact NE2-CB 3.43Å; H7-A158 PolarHBondContact O-N 2.85Å; A158-C209 CarbonylContact C-O 3.57Å; A158-C209 WeakPolarHBondContact CA-O 2.56Å; A158-C209 HydrophobicContact CB-CB 4.19Å
159	F	94.8	Very high	75.7	Confident	16 Å²	16	37 Å²	37	7%	0.07	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	136	175.9	-56.1	-64.1	0	0	0	110.3	R4 A5 L126 M128 F142 T157 I208 C209 C210 V211	R4-F159 CarbonylContact O-C 3.39Å; R4-F159 VanDerWaalsContact O-CA 3.28Å; R4-F159 WeakPolarHBondContact O-CA 3.42Å; A5-F159 HydrophobicContact CB-CD1 4.13Å; A5-F159 HydrophobicContact CB-CE1 4.13Å; L126-F159 HydrophobicContact CD1-CD2 4.07Å; L126-F159 HydrophobicContact CD1-CE2 3.78Å; M128-F159 HydrophobicContact CE-CE1 4.49Å; M128-F159 HydrophobicContact SD-CZ 4.4Å; F142-F159 HydrophobicContact CE2-CB 4.08Å; F142-F159 AromaticContact CE2-CD1 3.43Å; F142-F159 HydrophobicContact CE2-CD1 3.43Å; F142-F159 VanDerWaalsContact CE2-CD1 3.43Å; F142-F159 HydrophobicContact CE2-CE1 4.03Å; F142-F159 AromaticContact CE2-CG 3.91Å; F142-F159 HydrophobicContact CE2-CG 3.91Å; F142-F159 HydrophobicContact CZ-CB 4.14Å; F142-F159 AromaticContact CZ-CD1 3.86Å; F142-F159 HydrophobicContact CZ-CD1 3.86Å; F142-F159 HydrophobicContact CZ-CE1 4.38Å; F142-F159 AromaticContact CZ-CG 3.95Å; F142-F159 HydrophobicContact CZ-CG 3.95Å; T157-F159 HydrophobicContact CG2-CD1 4.45Å; T157-F159 HydrophobicContact CG2-CE1 3.74Å; T157-F159 HydrophobicContact CG2-CE2 3.86Å; T157-F159 HydrophobicContact CG2-CZ 3.41Å; T157-F159 VanDerWaalsContact CG2-CZ 3.41Å; F159-I208 HydrophobicContact CD2-CG2 3.53Å; F159-I208 HydrophobicContact CE2-CG2 3.69Å; F159-C209 PolarHBondContact N-O 2.94Å; F159-C210 CarbonylContact O-C 3.56Å; F159-C210 WeakPolarHBondContact O-CA 3.45Å; F159-V211 PolarHBondContact O-N 3.03Å
160	A	96.6	Very high	78.8	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	141.9	168.1	0	0	0	0	0	110	R3 R4 L6 V211 D213	R3-A160 CarbonylContact C-O 3.54Å; R3-A160 WeakPolarHBondContact CA-O 3.39Å; R4-A160 HydrophobicContact CB-CB 4.38Å; R4-A160 PolarHBondContact N-O 2.7Å; R4-A160 PolarHBondContact O-N 2.91Å; L6-A160 HydrophobicContact CD1-CB 3.78Å; L6-A160 HydrophobicContact CD2-CB 3.72Å; L6-A160 HydrophobicContact CG-CB 3.92Å; A160-V211 WeakPolarHBondContact CA-O 3.46Å; A160-D213 HydrophobicContact CB-CB 3.81Å; A160-D213 VanDerWaalsContact CB-OD1 3.27Å; A160-D213 WeakPolarHBondContact CB-OD1 3.04Å
161	C	96.4	Very high	82.1	Confident	3 Å²	3	34.8 Å²	34.8	2%	0.02	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	164.3	166.2	66.8	0	0	0	0	109.5	R3 T163 L166 I169 V211 G212 D213	R3-C161 HydrophobicContact CG-CB 3.92Å; C161-T163 PolarHBondContact O-N 3.23Å; C161-L166 VanDerWaalsContact SG-CD2 3.51Å; C161-I169 HydrophobicContact CB-CD1 4.22Å; C161-V211 PolarHBondContact N-O 3Å; C161-G212 CarbonylContact O-C 3.52Å; C161-G212 WeakPolarHBondContact O-CA 3.18Å; C161-D213 PolarHBondContact O-N 2.92Å
162	P	97.1	Very high	85.5	Confident	10 Å²	10	35.8 Å²	35.8	7%	0.065	22%	0.216	C	C	.	.			trans	-50.5	134.5	167.1	-24.7	34.3	0	0	0	110.8	M1 N164 E165	M1-P162 HydrophobicContact CB-CG 4.17Å; M1-P162 WeakPolarHBondContact O-CG 3.33Å; P162-N164 WeakPolarHBondContact CB-OD1 3.16Å; P162-N164 PolarHBondContact O-N 3.03Å; P162-N164 VanDerWaalsContact O-N 3.11Å; P162-E165 HydrophobicContact CB-CG 4.15Å; P162-E165 HydrophobicContact CG-CG 4.31Å; P162-E165 WeakPolarHBondContact CG-OE1 3.22Å; P162-E165 WeakPolarHBondContact O-CB 3.36Å; P162-E165 PolarHBondContact O-N 2.83Å
163	T	97.4	Very high	88.6	Confident	45 Å²	45	31.2 Å²	31.2	28%	0.276	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-56.9	-33.4	-174.3	-65.2	0	0	0	0	112.4	C161 E165 L166 G212 E214	C161-T163 PolarHBondContact O-N 3.23Å; T163-E165 PolarHBondContact O-N 3.06Å; T163-L166 HydrophobicContact CG2-CD1 4.28Å; T163-L166 PolarHBondContact O-N 3.31Å; T163-G212 VanDerWaalsContact OG1-CA 3.24Å; T163-G212 WeakPolarHBondContact OG1-CA 3.33Å; T163-E214 VanDerWaalsContact CB-OE2 3.27Å; T163-E214 WeakPolarHBondContact CB-OE2 3.31Å; T163-E214 PolarHBondContact N-OE1 3.33Å; T163-E214 PolarHBondContact N-OE2 3.29Å; T163-E214 PolarHBondContact OG1-OE2 3.12Å
164	N	96.7	Very high	91.6	Very high	132 Å²	132	35.4 Å²	35.4	71%	0.706	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-70.6	-10.4	177.9	68	-21.5	0	0	0	114.6	P162	P162-N164 WeakPolarHBondContact CB-OD1 3.16Å; P162-N164 PolarHBondContact O-N 3.03Å; P162-N164 VanDerWaalsContact O-N 3.11Å
165	E	97.2	Very high	94.2	Very high	58 Å²	58	40.2 Å²	40.2	27%	0.271	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-89.3	-13.9	174.7	-68.5	-176.7	-160.4	0	0	113.3	R3 P162 T163 A167 S168 I169	R3-E165 IonicContact CZ-OE2 3.3Å; R3-E165 VanDerWaalsContact CZ-OE2 3.3Å; R3-E165 IonicContact NE-OE2 2.95Å; R3-E165 PolarHBondContact NE-OE2 2.86Å; R3-E165 IonicContact NH2-OE2 2.78Å; R3-E165 PolarHBondContact NH2-OE2 3.18Å; P162-E165 HydrophobicContact CB-CG 4.15Å; P162-E165 HydrophobicContact CG-CG 4.31Å; P162-E165 WeakPolarHBondContact CG-OE1 3.22Å; P162-E165 WeakPolarHBondContact O-CB 3.36Å; P162-E165 PolarHBondContact O-N 2.83Å; T163-E165 PolarHBondContact O-N 3.06Å; E165-A167 VanDerWaalsContact C-N 3.29Å; E165-A167 PolarHBondContact O-N 2.77Å; E165-S168 PolarHBondContact O-N 3.5Å; E165-S168 VanDerWaalsContact O-N 3.15Å; E165-S168 PolarHBondContact O-OG 2.97Å; E165-I169 HydrophobicContact CB-CD1 4.45Å; E165-I169 WeakPolarHBondContact O-CG1 3.39Å; E165-I169 PolarHBondContact O-N 3.01Å
166	L	97.9	Very high	95.6	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-59.8	-40.6	-176.1	-68.4	170	0	0	0	112.6	C161 T163 I169 E170 L184 S196 V198 C210	C161-L166 VanDerWaalsContact SG-CD2 3.51Å; T163-L166 HydrophobicContact CG2-CD1 4.28Å; T163-L166 PolarHBondContact O-N 3.31Å; L166-I169 PolarHBondContact O-N 2.83Å; L166-E170 PolarHBondContact O-N 3.26Å; L166-L184 HydrophobicContact CB-CD1 3.83Å; L166-L184 HydrophobicContact CD1-CD1 3.8Å; L166-L184 HydrophobicContact CG-CD1 4.43Å; L166-S196 WeakPolarHBondContact CD1-O 3.22Å; L166-V198 HydrophobicContact CD2-CG1 4.11Å; L166-C210 HydrophobicContact CD2-CB 3.88Å; L166-C210 WeakPolarHBondContact CD2-O 3.42Å
167	A	97.9	Very high	96.3	Very high	54 Å²	54	49 Å²	49	45%	0.446	27%	0.265	S	S	.	.	H	α-helix	trans	-66.5	-37.8	178.6	0	0	0	0	0	112.3	E165 E170 E171 L184	E165-A167 VanDerWaalsContact C-N 3.29Å; E165-A167 PolarHBondContact O-N 2.77Å; A167-E170 PolarHBondContact O-N 3.21Å; A167-E171 WeakPolarHBondContact O-CB 3.47Å; A167-E171 PolarHBondContact O-N 3.11Å; A167-L184 HydrophobicContact CB-CD2 4.44Å
168	S	97.3	Very high	96.6	Very high	60 Å²	60	51 Å²	51	42%	0.42	27%	0.271	S	S	.	.	H	α-helix	trans	-73.9	-32.4	177.9	58.9	0	0	0	0	112.1	E165 E171 A172	E165-S168 PolarHBondContact O-N 3.5Å; E165-S168 VanDerWaalsContact O-N 3.15Å; E165-S168 PolarHBondContact O-OG 2.97Å; S168-E171 PolarHBondContact O-N 3.49Å; S168-A172 VanDerWaalsContact O-CB 3.3Å; S168-A172 WeakPolarHBondContact O-CB 3.45Å; S168-A172 PolarHBondContact O-N 2.83Å
169	I	97.2	Very high	96.6	Very high	2 Å²	2	56 Å²	56	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-62.9	-46.5	170.3	-67.9	166.9	0	0	0	110.5	I125 C161 E165 L166 E171 A172 A173 V198 L200 C210	I125-I169 HydrophobicContact CG2-CG2 4.4Å; C161-I169 HydrophobicContact CB-CD1 4.22Å; E165-I169 HydrophobicContact CB-CD1 4.45Å; E165-I169 WeakPolarHBondContact O-CG1 3.39Å; E165-I169 PolarHBondContact O-N 3.01Å; L166-I169 PolarHBondContact O-N 2.83Å; I169-E171 VanDerWaalsContact C-N 3.34Å; I169-E171 PolarHBondContact O-N 2.86Å; I169-A172 PolarHBondContact O-N 2.68Å; I169-A173 WeakPolarHBondContact O-CB 3.26Å; I169-A173 PolarHBondContact O-N 2.8Å; I169-V198 HydrophobicContact CG2-CG1 4.3Å; I169-L200 HydrophobicContact CG2-CD1 3.84Å; I169-C210 HydrophobicContact CD1-CB 4.37Å
170	E	98.1	Very high	96.7	Very high	17 Å²	17	57.1 Å²	57.1	8%	0.079	31%	0.306	C	S	.	.	H	α-helix	trans	-60.7	-43.4	175.6	-174.2	175.6	172.8	0	0	111.8	L166 A167 K174 V180 S183 L184 V198	L166-E170 PolarHBondContact O-N 3.26Å; A167-E170 PolarHBondContact O-N 3.21Å; E170-K174 HydrophobicContact CG-CD 4.3Å; E170-K174 WeakPolarHBondContact O-CG 3.4Å; E170-K174 PolarHBondContact O-N 2.83Å; E170-K174 WeakPolarHBondContact OE1-CE 3.34Å; E170-K174 IonicContact OE1-NZ 2.7Å; E170-K174 PolarHBondContact OE1-NZ 2.69Å; E170-V180 HydrophobicContact CG-CG1 4.14Å; E170-V180 HydrophobicContact CG-CG2 4.25Å; E170-S183 WeakPolarHBondContact OE1-CA 3.29Å; E170-S183 WeakPolarHBondContact OE1-CB 3.02Å; E170-S183 PolarHBondContact OE1-OG 2.81Å; E170-L184 WeakPolarHBondContact OE2-CB 3.35Å; E170-L184 PolarHBondContact OE2-N 2.9Å; E170-V198 HydrophobicContact CB-CG2 4Å; E170-V198 HydrophobicContact CG-CG2 4.15Å
171	E	97.9	Very high	96.5	Very high	113 Å²	113	61 Å²	61	53%	0.528	33%	0.326	S	S	.	.	H	α-helix	trans	-65.2	-44.9	178.9	-174.1	175.1	-166.2	0	0	112	A167 S168 I169 A173 K174 Q175	A167-E171 WeakPolarHBondContact O-CB 3.47Å; A167-E171 PolarHBondContact O-N 3.11Å; S168-E171 PolarHBondContact O-N 3.49Å; I169-E171 VanDerWaalsContact C-N 3.34Å; I169-E171 PolarHBondContact O-N 2.86Å; E171-A173 VanDerWaalsContact C-N 3.35Å; E171-A173 PolarHBondContact O-N 3.44Å; E171-K174 PolarHBondContact O-N 2.7Å; E171-Q175 HydrophobicContact CG-CG 4.33Å; E171-Q175 WeakPolarHBondContact O-CB 3.23Å; E171-Q175 WeakPolarHBondContact O-CG 3.36Å; E171-Q175 PolarHBondContact O-N 2.84Å; E171-Q175 PolarHBondContact OE1-NE2 3.13Å
172	A	97.1	Very high	96.4	Very high	31 Å²	31	62.2 Å²	62.2	26%	0.256	33%	0.334	S	S	.	.	H	α-helix	trans	-59.9	-44.4	177.1	0	0	0	0	0	111.6	I125 S168 I169 K174 Q175 A176	I125-A172 HydrophobicContact CD1-CB 4.08Å; S168-A172 VanDerWaalsContact O-CB 3.3Å; S168-A172 WeakPolarHBondContact O-CB 3.45Å; S168-A172 PolarHBondContact O-N 2.83Å; I169-A172 PolarHBondContact O-N 2.68Å; A172-K174 PolarHBondContact O-N 3.44Å; A172-Q175 PolarHBondContact O-N 2.88Å; A172-A176 WeakPolarHBondContact O-CB 3.32Å; A172-A176 PolarHBondContact O-N 2.93Å
173	A	96.8	Very high	96.4	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-60.8	-43.8	176.2	0	0	0	0	0	111.8	I125 I169 E171 A176 E177 Y178 V180 L200	I125-A173 HydrophobicContact CG2-CB 4.19Å; I169-A173 WeakPolarHBondContact O-CB 3.26Å; I169-A173 PolarHBondContact O-N 2.8Å; E171-A173 VanDerWaalsContact C-N 3.35Å; E171-A173 PolarHBondContact O-N 3.44Å; A173-A176 PolarHBondContact O-N 2.73Å; A173-E177 PolarHBondContact O-N 2.9Å; A173-Y178 PolarHBondContact O-N 3.39Å; A173-V180 HydrophobicContact CB-CG2 4.11Å; A173-L200 HydrophobicContact CB-CD1 4.17Å; A173-L200 HydrophobicContact CB-CD2 3.85Å
174	K	97.1	Very high	96.4	Very high	113 Å²	113	66.3 Å²	66.3	49%	0.491	36%	0.358	S	S	.	.	H	α-helix	trans	-64.5	-42.2	176.5	-73.2	173.9	-177.3	171	0	112.7	E170 E171 A172 A176 E177 V180	E170-K174 HydrophobicContact CG-CD 4.3Å; E170-K174 WeakPolarHBondContact O-CG 3.4Å; E170-K174 PolarHBondContact O-N 2.83Å; E170-K174 WeakPolarHBondContact OE1-CE 3.34Å; E170-K174 IonicContact OE1-NZ 2.7Å; E170-K174 PolarHBondContact OE1-NZ 2.69Å; E171-K174 PolarHBondContact O-N 2.7Å; A172-K174 PolarHBondContact O-N 3.44Å; K174-A176 VanDerWaalsContact C-N 3.3Å; K174-A176 PolarHBondContact O-N 2.75Å; K174-E177 PolarHBondContact O-N 3.44Å; K174-E177 VanDerWaalsContact O-N 3.16Å; K174-V180 HydrophobicContact CG-CG2 3.84Å
175	Q	96.7	Very high	96.4	Very high	143 Å²	143	62.4 Å²	62.4	67%	0.668	34%	0.339	S	S	*	.	H	α-helix	trans	-65.6	-34.8	179.4	-73.9	178.7	7.8	0	0	112	E171 A172 E177	E171-Q175 HydrophobicContact CG-CG 4.33Å; E171-Q175 WeakPolarHBondContact O-CB 3.23Å; E171-Q175 WeakPolarHBondContact O-CG 3.36Å; E171-Q175 PolarHBondContact O-N 2.84Å; E171-Q175 PolarHBondContact OE1-NE2 3.13Å; A172-Q175 PolarHBondContact O-N 2.88Å; Q175-E177 VanDerWaalsContact C-N 3.26Å; Q175-E177 PolarHBondContact O-N 3.43Å
176	A	95.4	Very high	96.4	Very high	41 Å²	41	65.5 Å²	65.5	34%	0.339	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	9.1	174.9	0	0	0	0	0	113.7	I125 A172 A173 K174 Y178	I125-A176 HydrophobicContact CD1-CB 4.07Å; A172-A176 WeakPolarHBondContact O-CB 3.32Å; A172-A176 PolarHBondContact O-N 2.93Å; A173-A176 PolarHBondContact O-N 2.73Å; K174-A176 VanDerWaalsContact C-N 3.3Å; K174-A176 PolarHBondContact O-N 2.75Å; A176-Y178 HydrophobicContact CB-CD2 3.55Å; A176-Y178 HydrophobicContact CB-CE2 3.63Å; A176-Y178 PolarHBondContact O-N 3.37Å
177	E	95.3	Very high	96.3	Very high	182 Å²	182	66.5 Å²	66.5	85%	0.85	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	25.1	179.4	-55.2	-173.3	113.7	0	0	114.8	A173 K174 Q175	A173-E177 PolarHBondContact O-N 2.9Å; K174-E177 PolarHBondContact O-N 3.44Å; K174-E177 VanDerWaalsContact O-N 3.16Å; Q175-E177 VanDerWaalsContact C-N 3.26Å; Q175-E177 PolarHBondContact O-N 3.43Å
178	Y	95.1	Very high	96.1	Very high	50 Å²	50	68.6 Å²	68.6	20%	0.196	36%	0.362	C	S	.	.			trans	-82.9	156.5	172.6	-65.9	-57	0	0	0	112.6	Y121 I125 A173 A176 V180 P203	Y121-Y178 AromaticContact CD2-CD1 3.79Å; Y121-Y178 HydrophobicContact CD2-CD1 3.79Å; Y121-Y178 AromaticContact CD2-CD2 3.54Å; Y121-Y178 HydrophobicContact CD2-CD2 3.54Å; Y121-Y178 AromaticContact CD2-CE1 3.84Å; Y121-Y178 HydrophobicContact CD2-CE1 3.84Å; Y121-Y178 AromaticContact CD2-CE2 3.57Å; Y121-Y178 HydrophobicContact CD2-CE2 3.57Å; Y121-Y178 AromaticContact CD2-CG 3.65Å; Y121-Y178 HydrophobicContact CD2-CG 3.65Å; Y121-Y178 AromaticContact CD2-CZ 3.72Å; Y121-Y178 HydrophobicContact CE2-CD1 4.18Å; Y121-Y178 AromaticContact CE2-CD2 3.89Å; Y121-Y178 HydrophobicContact CE2-CD2 3.89Å; Y121-Y178 HydrophobicContact CE2-CE2 4.38Å; Y121-Y178 AromaticContact CE2-CG 3.78Å; Y121-Y178 HydrophobicContact CE2-CG 3.78Å; Y121-Y178 HydrophobicContact CG-CE2 4.41Å; I125-Y178 HydrophobicContact CD1-CD2 3.93Å; I125-Y178 HydrophobicContact CD1-CE2 4.14Å; I125-Y178 HydrophobicContact CG1-CD2 3.77Å; I125-Y178 HydrophobicContact CG1-CE2 3.89Å; A173-Y178 PolarHBondContact O-N 3.39Å; A176-Y178 HydrophobicContact CB-CD2 3.55Å; A176-Y178 HydrophobicContact CB-CE2 3.63Å; A176-Y178 PolarHBondContact O-N 3.37Å; Y178-V180 PolarHBondContact O-N 3.24Å; Y178-P203 HydrophobicContact CE1-CG 3.89Å
179	N	92.6	Very high	95.9	Very high	106 Å²	106	66.4 Å²	66.4	57%	0.567	35%	0.346	S	S	*	.			trans	-74.6	115.1	-174.8	-70.2	-39.4	0	0	0	112	L181 L200 A201	N179-L181 HydrophobicContact CB-CD2 4.39Å; N179-L200 CarbonylContact O-C 3.56Å; N179-L200 WeakPolarHBondContact O-CA 3.38Å; N179-A201 HydrophobicContact CB-CB 3.95Å; N179-A201 PolarHBondContact O-N 3.46Å
180	V	96.4	Very high	95.7	Very high	38 Å²	38	70.6 Å²	70.6	23%	0.23	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	101.9	164.3	-177.4	0	0	0	0	108.4	E170 A173 K174 Y178 V198 I199 L200	E170-V180 HydrophobicContact CG-CG1 4.14Å; E170-V180 HydrophobicContact CG-CG2 4.25Å; A173-V180 HydrophobicContact CB-CG2 4.11Å; K174-V180 HydrophobicContact CG-CG2 3.84Å; Y178-V180 PolarHBondContact O-N 3.24Å; V180-V198 HydrophobicContact CG1-CG2 4.17Å; V180-I199 CarbonylContact C-O 3.56Å; V180-L200 HydrophobicContact CB-CD2 4.28Å; V180-L200 HydrophobicContact CG1-CD2 4.27Å; V180-L200 HydrophobicContact CG2-CD2 3.81Å
181	L	93	Very high	95.5	Very high	81 Å²	81	74.2 Å²	74.2	42%	0.424	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	-32.8	-179	-59.4	-179.2	0	0	0	112.3	N179 I199 A201 E207	N179-L181 HydrophobicContact CB-CD2 4.39Å; L181-I199 HydrophobicContact CB-CB 4.3Å; L181-I199 HydrophobicContact CB-CG2 3.97Å; L181-I199 HydrophobicContact CD1-CG2 4.06Å; L181-I199 PolarHBondContact N-O 3.43Å; L181-A201 HydrophobicContact CD1-CB 3.89Å; L181-A201 HydrophobicContact CD2-CB 4.17Å; L181-A201 HydrophobicContact CG-CB 4.02Å; L181-E207 HydrophobicContact CD1-CB 4.39Å; L181-E207 HydrophobicContact CD1-CG 3.73Å
182	T	94.9	Very high	95.5	Very high	29 Å²	29	71.1 Å²	71.1	18%	0.178	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	114.4	174.3	-58.6	0	0	0	0	108.5	A42 T185 V198 I199	A42-T182 HydrophobicContact CB-CG2 4.15Å; T182-T185 HydrophobicContact CG2-CG2 3.77Å; T182-V198 WeakPolarHBondContact O-CG2 3.31Å; T182-I199 PolarHBondContact N-O 2.89Å; T182-I199 PolarHBondContact O-N 2.99Å
183	S	96.9	Very high	95.4	Very high	61 Å²	61	71 Å²	71	43%	0.427	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	160.6	172.2	-77.5	0	0	0	0	111.8	E170 T185	E170-S183 WeakPolarHBondContact OE1-CA 3.29Å; E170-S183 WeakPolarHBondContact OE1-CB 3.02Å; E170-S183 PolarHBondContact OE1-OG 2.81Å; S183-T185 WeakPolarHBondContact O-CB 3.09Å; S183-T185 PolarHBondContact O-N 3.19Å
184	L	97.4	Very high	95.4	Very high	81 Å²	81	73.1 Å²	73.1	42%	0.424	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-43.7	116.1	178.6	-178.8	57.9	0	0	0	111.5	L166 A167 E170 V197	L166-L184 HydrophobicContact CB-CD1 3.83Å; L166-L184 HydrophobicContact CD1-CD1 3.8Å; L166-L184 HydrophobicContact CG-CD1 4.43Å; A167-L184 HydrophobicContact CB-CD2 4.44Å; E170-L184 WeakPolarHBondContact OE2-CB 3.35Å; E170-L184 PolarHBondContact OE2-N 2.9Å; L184-V197 VanDerWaalsContact CA-O 3.3Å; L184-V197 WeakPolarHBondContact CA-O 3.48Å
185	T	96.6	Very high	95.4	Very high	50 Å²	50	68.1 Å²	68.1	31%	0.307	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	165.3	-176.3	-159.5	0	0	0	0	111.3	T182 S183 L187 S196 V197	T182-T185 HydrophobicContact CG2-CG2 3.77Å; S183-T185 WeakPolarHBondContact O-CB 3.09Å; S183-T185 PolarHBondContact O-N 3.19Å; T185-L187 HydrophobicContact CG2-CD2 4.29Å; T185-S196 CarbonylContact O-C 3.51Å; T185-S196 WeakPolarHBondContact O-CA 2.89Å; T185-V197 HydrophobicContact CG2-CG2 3.88Å; T185-V197 PolarHBondContact N-O 3.33Å; T185-V197 PolarHBondContact O-N 2.88Å
186	E	96.9	Very high	95.5	Very high	122 Å²	122	62.3 Å²	62.3	57%	0.57	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	136.8	177	-69	-177	158.2	0	0	110.9	T194 V195	E186-T194 HydrophobicContact CB-CG2 3.79Å; E186-T194 HydrophobicContact CG-CG2 4.29Å; E186-V195 CarbonylContact C-O 3.25Å; E186-V195 WeakPolarHBondContact CA-O 2.85Å
187	L	95	Very high	95.6	Very high	22 Å²	22	60.5 Å²	60.5	12%	0.115	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.6	175.7	-58.6	-176.5	0	0	0	110.6	A42 T185 T194 V195 V197	A42-L187 HydrophobicContact CB-CD1 3.97Å; A42-L187 HydrophobicContact CB-CD2 3.62Å; A42-L187 HydrophobicContact CB-CG 4.35Å; T185-L187 HydrophobicContact CG2-CD2 4.29Å; L187-T194 WeakPolarHBondContact O-CA 3.42Å; L187-V195 HydrophobicContact CB-CG2 4.07Å; L187-V195 PolarHBondContact N-O 2.81Å; L187-V195 PolarHBondContact O-N 2.68Å; L187-V197 HydrophobicContact CD1-CB 4.48Å; L187-V197 HydrophobicContact CD1-CG1 4.01Å; L187-V197 HydrophobicContact CD1-CG2 3.64Å; L187-V197 HydrophobicContact CG-CG1 4.46Å; L187-V197 HydrophobicContact CG-CG2 3.78Å
188	D	94.5	Very high	95.7	Very high	98 Å²	98	51.8 Å²	51.8	52%	0.524	31%	0.311	S	S	.	.			trans	-91.3	142.2	175.4	-58.5	-52.4	0	0	0	110.9	T194	D188-T194 VanDerWaalsContact OD1-CG2 3.26Å; D188-T194 WeakPolarHBondContact OD1-CG2 3.04Å; D188-T194 PolarHBondContact OD1-OG1 3.24Å
189	T	93.8	Very high	95.7	Very high	14 Å²	14	49.5 Å²	49.5	9%	0.086	30%	0.301	C	S	.	.			trans	-121.9	127.4	167.2	-61.6	0	0	0	0	108.4	E34 F36 G191 K192 L219	E34-T189 HydrophobicContact CB-CG2 4.4Å; E34-T189 VanDerWaalsContact CD-CG2 3.48Å; E34-T189 HydrophobicContact CG-CG2 3.67Å; F36-T189 HydrophobicContact CE1-CG2 4.42Å; F36-T189 HydrophobicContact CZ-CG2 4.07Å; T189-G191 PolarHBondContact O-N 3.17Å; T189-G191 VanDerWaalsContact O-N 3.13Å; T189-K192 HydrophobicContact CG2-CB 4.13Å; T189-K192 HydrophobicContact CG2-CD 3.85Å; T189-K192 HydrophobicContact CG2-CG 4.1Å; T189-K192 PolarHBondContact O-N 2.98Å; T189-L219 HydrophobicContact CG2-CD1 3.93Å
190	P	93	Very high	95.8	Very high	90 Å²	90	44.5 Å²	44.5	58%	0.584	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	120.7	-175.2	-28.9	35.4	0	0	0	113.1	K192	P190-K192 VanDerWaalsContact C-N 3.28Å; P190-K192 PolarHBondContact O-N 3.44Å
191	G	94.3	Very high	95.5	Very high	93 Å²	93	42.9 Å²	42.9	96%	0.959	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	8.5	178.5	0	0	0	0	0	115.5	T189	T189-G191 PolarHBondContact O-N 3.17Å; T189-G191 VanDerWaalsContact O-N 3.13Å
192	K	96	Very high	95.4	Very high	48 Å²	48	39.1 Å²	39.1	21%	0.209	25%	0.246	C	C	.	.	S	Bend	trans	-127.1	177.5	-178.4	-55	-167.8	-178.2	-170.9	0	112.2	E34 T189 P190 L219 E223	E34-K192 WeakPolarHBondContact OE1-CE 3.17Å; E34-K192 IonicContact OE1-NZ 3.78Å; E34-K192 PolarHBondContact OE1-NZ 2.72Å; T189-K192 HydrophobicContact CG2-CB 4.13Å; T189-K192 HydrophobicContact CG2-CD 3.85Å; T189-K192 HydrophobicContact CG2-CG 4.1Å; T189-K192 PolarHBondContact O-N 2.98Å; P190-K192 VanDerWaalsContact C-N 3.28Å; P190-K192 PolarHBondContact O-N 3.44Å; K192-L219 HydrophobicContact CB-CD1 3.63Å; K192-L219 HydrophobicContact CD-CD1 3.76Å; K192-L219 HydrophobicContact CG-CD1 4.34Å; K192-E223 WeakPolarHBondContact CE-OE1 3.41Å; K192-E223 IonicContact NZ-OE1 3.63Å; K192-E223 PolarHBondContact NZ-OE1 2.63Å
193	A	96.4	Very high	95.2	Very high	29 Å²	29	38.8 Å²	38.8	24%	0.24	24%	0.244	C	C	.	.			trans	-65	140.4	178.9	0	0	0	0	0	112.2	D218 L219	A193-D218 HydrophobicContact CB-CB 3.75Å; A193-L219 HydrophobicContact CB-CB 4.37Å
194	T	97	Very high	94.7	Very high	45 Å²	45	36.9 Å²	36.9	28%	0.276	23%	0.229	S	C	.	.			trans	-78.1	132.1	170.3	-58.8	0	0	0	0	109.5	E186 L187 D188 N215	E186-T194 HydrophobicContact CB-CG2 3.79Å; E186-T194 HydrophobicContact CG-CG2 4.29Å; L187-T194 WeakPolarHBondContact O-CA 3.42Å; D188-T194 VanDerWaalsContact OD1-CG2 3.26Å; D188-T194 WeakPolarHBondContact OD1-CG2 3.04Å; D188-T194 PolarHBondContact OD1-OG1 3.24Å; T194-N215 VanDerWaalsContact O-CB 3.28Å; T194-N215 WeakPolarHBondContact O-CB 3.46Å; T194-N215 PolarHBondContact O-ND2 3.24Å
195	V	97.5	Very high	94.1	Very high	8 Å²	8	35.1 Å²	35.1	5%	0.048	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	144.4	-179.1	-64.2	0	0	0	0	111.5	E186 L187 V197 V211 N215 L219	E186-V195 CarbonylContact C-O 3.25Å; E186-V195 WeakPolarHBondContact CA-O 2.85Å; L187-V195 HydrophobicContact CB-CG2 4.07Å; L187-V195 PolarHBondContact N-O 2.81Å; L187-V195 PolarHBondContact O-N 2.68Å; V195-V197 HydrophobicContact CG2-CG1 4.16Å; V195-V211 HydrophobicContact CB-CG2 3.78Å; V195-V211 HydrophobicContact CG1-CG2 4.3Å; V195-V211 HydrophobicContact CG2-CG2 4.09Å; V195-N215 HydrophobicContact CG1-CB 4.04Å; V195-L219 HydrophobicContact CG1-CB 4.04Å; V195-L219 HydrophobicContact CG1-CD2 3.63Å; V195-L219 HydrophobicContact CG1-CG 4.45Å; V195-L219 HydrophobicContact CG2-CD2 4.11Å
196	S	98	Very high	93.6	Very high	20 Å²	20	33.8 Å²	33.8	14%	0.14	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	133.5	171.1	-52.7	0	0	0	0	109.9	L166 T185 V211 G212	L166-S196 WeakPolarHBondContact CD1-O 3.22Å; T185-S196 CarbonylContact O-C 3.51Å; T185-S196 WeakPolarHBondContact O-CA 2.89Å; S196-V211 WeakPolarHBondContact O-CA 3.49Å; S196-G212 PolarHBondContact O-N 3.1Å
197	V	97.7	Very high	93.3	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	152.9	-178.7	-56.9	0	0	0	0	112.3	L184 T185 L187 V195 C210 V211	L184-V197 VanDerWaalsContact CA-O 3.3Å; L184-V197 WeakPolarHBondContact CA-O 3.48Å; T185-V197 HydrophobicContact CG2-CG2 3.88Å; T185-V197 PolarHBondContact N-O 3.33Å; T185-V197 PolarHBondContact O-N 2.88Å; L187-V197 HydrophobicContact CD1-CB 4.48Å; L187-V197 HydrophobicContact CD1-CG1 4.01Å; L187-V197 HydrophobicContact CD1-CG2 3.64Å; L187-V197 HydrophobicContact CG-CG1 4.46Å; L187-V197 HydrophobicContact CG-CG2 3.78Å; V195-V197 HydrophobicContact CG2-CG1 4.16Å; V197-C210 CarbonylContact C-O 3.58Å; V197-C210 WeakPolarHBondContact CA-O 3.42Å; V197-V211 HydrophobicContact CG1-CB 3.94Å; V197-V211 HydrophobicContact CG1-CG2 3.77Å
198	V	97.3	Very high	93.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.5	158.5	61	0	0	0	0	108.2	L166 I169 E170 V180 T182 L200 C210	L166-V198 HydrophobicContact CD2-CG1 4.11Å; I169-V198 HydrophobicContact CG2-CG1 4.3Å; E170-V198 HydrophobicContact CB-CG2 4Å; E170-V198 HydrophobicContact CG-CG2 4.15Å; V180-V198 HydrophobicContact CG1-CG2 4.17Å; T182-V198 WeakPolarHBondContact O-CG2 3.31Å; V198-L200 HydrophobicContact CG2-CD2 3.9Å; V198-C210 HydrophobicContact CG1-CB 3.71Å; V198-C210 PolarHBondContact N-O 2.79Å; V198-C210 PolarHBondContact O-N 3.4Å
199	I	95	Very high	93.2	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.5	176.9	-53.6	174.6	0	0	0	109.1	A42 V180 L181 T182 I208	A42-I199 HydrophobicContact CB-CD1 3.65Å; A42-I199 WeakPolarHBondContact O-CD1 3.37Å; V180-I199 CarbonylContact C-O 3.56Å; L181-I199 HydrophobicContact CB-CB 4.3Å; L181-I199 HydrophobicContact CB-CG2 3.97Å; L181-I199 HydrophobicContact CD1-CG2 4.06Å; L181-I199 PolarHBondContact N-O 3.43Å; T182-I199 PolarHBondContact N-O 2.89Å; T182-I199 PolarHBondContact O-N 2.99Å; I199-I208 CarbonylContact C-O 3.45Å; I199-I208 VanDerWaalsContact CA-O 3.31Å; I199-I208 WeakPolarHBondContact CA-O 3.28Å
200	L	94.7	Very high	93.3	Very high	1 Å²	1	25 Å²	25	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	166.1	179	-51.4	179.7	0	0	0	110.2	Y121 I125 I169 A173 N179 V180 V198 I208	Y121-L200 WeakPolarHBondContact OH-CB 3.17Å; I125-L200 HydrophobicContact CG2-CD1 3.8Å; I169-L200 HydrophobicContact CG2-CD1 3.84Å; A173-L200 HydrophobicContact CB-CD1 4.17Å; A173-L200 HydrophobicContact CB-CD2 3.85Å; N179-L200 CarbonylContact O-C 3.56Å; N179-L200 WeakPolarHBondContact O-CA 3.38Å; V180-L200 HydrophobicContact CB-CD2 4.28Å; V180-L200 HydrophobicContact CG1-CD2 4.27Å; V180-L200 HydrophobicContact CG2-CD2 3.81Å; V198-L200 HydrophobicContact CG2-CD2 3.9Å; L200-I208 PolarHBondContact N-O 3.31Å; L200-I208 PolarHBondContact O-N 2.97Å
201	A	90.5	Very high	93.6	Very high	4 Å²	4	20.9 Å²	20.9	3%	0.033	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	140.2	160.6	0	0	0	0	0	109.1	Y121 N179 L181 H206	Y121-A201 PolarHBondContact OH-O 2.9Å; N179-A201 HydrophobicContact CB-CB 3.95Å; N179-A201 PolarHBondContact O-N 3.46Å; L181-A201 HydrophobicContact CD1-CB 3.89Å; L181-A201 HydrophobicContact CD2-CB 4.17Å; L181-A201 HydrophobicContact CG-CB 4.02Å; A201-H206 WeakPolarHBondContact CA-O 3.46Å
202	D	91.3	Very high	93.8	Very high	3 Å²	3	16.5 Å²	16.5	2%	0.016	11%	0.105	C	C	.	.			trans	-74.4	177.9	169.3	86.6	-10.8	0	0	0	111.4	Y121 Y122 D204 G205 H206 I208	Y121-D202 HydrophobicContact CD1-CB 3.83Å; Y121-D202 HydrophobicContact CE1-CB 3.64Å; Y121-D202 HydrophobicContact CE2-CB 4.37Å; Y121-D202 HydrophobicContact CG-CB 4.31Å; Y122-D202 HydrophobicContact CE2-CB 4.37Å; Y122-D202 PolarHBondContact OH-OD2 3.07Å; D202-D204 PolarHBondContact O-N 3.15Å; D202-D204 VanDerWaalsContact O-N 3.07Å; D202-D204 WeakPolarHBondContact OD1-CA 3.39Å; D202-D204 PolarHBondContact OD1-N 3.14Å; D202-G205 PolarHBondContact O-N 2.89Å; D202-G205 PolarHBondContact OD1-N 3.46Å; D202-H206 PolarHBondContact N-O 2.9Å; D202-H206 WeakPolarHBondContact OD1-CB 3.44Å; D202-H206 IonicContact OD1-CD2 3.04Å; D202-H206 PolarHBondContact OD1-CD2 2.82Å; D202-H206 IonicContact OD1-CG 2.71Å; D202-H206 PolarHBondContact OD1-N 3.32Å; D202-H206 IonicContact OD2-CD2 2.57Å; D202-H206 PolarHBondContact OD2-CD2 2.87Å; D202-H206 VanDerWaalsContact OD2-CD2 3.29Å; D202-H206 IonicContact OD2-CG 2.93Å; D202-I208 HydrophobicContact CB-CD1 3.94Å
203	P	90.2	Very high	93.8	Very high	21 Å²	21	14.2 Å²	14.2	14%	0.136	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-22.1	-178.9	-25.5	34.6	0	0	0	114.8	R113 E117 Y121 Y178	R113-P203 PolarHBondContact NH2-O 2.96Å; E117-P203 HydrophobicContact CG-CB 3.91Å; E117-P203 HydrophobicContact CG-CG 3.89Å; Y121-P203 HydrophobicContact CD2-CG 4.37Å; Y121-P203 HydrophobicContact CG-CG 4.29Å; Y178-P203 HydrophobicContact CE1-CG 3.89Å
204	D	86	Confident	93.8	Very high	22 Å²	22	16.3 Å²	16.3	12%	0.118	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	2.7	179	-71.7	-64.4	0	0	0	113.1	V112 R113 D202	V112-D204 WeakPolarHBondContact CA-OD2 3.35Å; V112-D204 WeakPolarHBondContact CB-OD2 3.31Å; V112-D204 WeakPolarHBondContact CG1-OD2 3.41Å; R113-D204 WeakPolarHBondContact CB-OD1 3.29Å; R113-D204 WeakPolarHBondContact CD-OD1 3.4Å; R113-D204 WeakPolarHBondContact CG-OD1 3.33Å; R113-D204 IonicContact CZ-OD1 3.64Å; R113-D204 PolarHBondContact N-OD1 3.01Å; R113-D204 PolarHBondContact N-OD2 2.95Å; R113-D204 IonicContact NE-OD1 3.61Å; R113-D204 PolarHBondContact NE-OD1 2.82Å; R113-D204 IonicContact NH2-OD1 2.8Å; D202-D204 PolarHBondContact O-N 3.15Å; D202-D204 VanDerWaalsContact O-N 3.07Å; D202-D204 WeakPolarHBondContact OD1-CA 3.39Å; D202-D204 PolarHBondContact OD1-N 3.14Å
205	G	85.2	Confident	93.8	Very high	44 Å²	44	17.3 Å²	17.3	45%	0.454	10%	0.104	S	C	.	.			trans	83.9	12.6	176.9	0	0	0	0	0	114.1	D202 E207	D202-G205 PolarHBondContact O-N 2.89Å; D202-G205 PolarHBondContact OD1-N 3.46Å; G205-E207 PolarHBondContact O-N 3.44Å
206	H	85.6	Confident	93.8	Very high	21 Å²	21	17.3 Å²	17.3	10%	0.097	10%	0.103	C	C	.	.			trans	-65.7	124.4	172.4	-63	-68.9	0	0	0	109.3	L110 R111 A201 D202	L110-H206 HydrophobicContact CD1-CB 4.09Å; R111-H206 PolarHBondContact O-NE2 3.37Å; A201-H206 WeakPolarHBondContact CA-O 3.46Å; D202-H206 PolarHBondContact N-O 2.9Å; D202-H206 WeakPolarHBondContact OD1-CB 3.44Å; D202-H206 IonicContact OD1-CD2 3.04Å; D202-H206 PolarHBondContact OD1-CD2 2.82Å; D202-H206 IonicContact OD1-CG 2.71Å; D202-H206 PolarHBondContact OD1-N 3.32Å; D202-H206 IonicContact OD2-CD2 2.57Å; D202-H206 PolarHBondContact OD2-CD2 2.87Å; D202-H206 VanDerWaalsContact OD2-CD2 3.29Å; D202-H206 IonicContact OD2-CG 2.93Å
207	E	89.7	Confident	93.8	Very high	53 Å²	53	19.9 Å²	19.9	25%	0.248	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	132.9	-178	-63.1	-172.8	-164.8	0	0	111.1	R156 T157 L181 G205	R156-E207 WeakPolarHBondContact CA-O 3.36Å; R156-E207 HydrophobicContact CB-CB 4.06Å; R156-E207 HydrophobicContact CG-CB 3.86Å; R156-E207 WeakPolarHBondContact CG-O 3.37Å; R156-E207 IonicContact CZ-OE2 2.75Å; R156-E207 IonicContact NE-OE2 3.89Å; R156-E207 PolarHBondContact NE-OE2 2.8Å; R156-E207 IonicContact NH2-OE2 2.9Å; R156-E207 PolarHBondContact NH2-OE2 2.85Å; T157-E207 PolarHBondContact N-O 3.13Å; L181-E207 HydrophobicContact CD1-CB 4.39Å; L181-E207 HydrophobicContact CD1-CG 3.73Å; G205-E207 PolarHBondContact O-N 3.44Å
208	I	92.3	Very high	93.8	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.8	179.7	-63.6	151.1	0	0	0	109.6	Y121 Y122 L126 T157 F159 I199 L200 D202	Y121-I208 HydrophobicContact CE1-CD1 3.53Å; Y121-I208 WeakPolarHBondContact OH-CD1 3.37Å; Y122-I208 HydrophobicContact CE1-CD1 3.97Å; L126-I208 HydrophobicContact CD1-CD1 4.11Å; L126-I208 HydrophobicContact CD1-CG2 4.11Å; L126-I208 HydrophobicContact CD2-CG2 4.47Å; T157-I208 CarbonylContact O-C 3.59Å; T157-I208 WeakPolarHBondContact O-CA 3.3Å; F159-I208 HydrophobicContact CD2-CG2 3.53Å; F159-I208 HydrophobicContact CE2-CG2 3.69Å; I199-I208 CarbonylContact C-O 3.45Å; I199-I208 VanDerWaalsContact CA-O 3.31Å; I199-I208 WeakPolarHBondContact CA-O 3.28Å; L200-I208 PolarHBondContact N-O 3.31Å; L200-I208 PolarHBondContact O-N 2.97Å; D202-I208 HydrophobicContact CB-CD1 3.94Å
209	C	95.6	Very high	93.8	Very high	15 Å²	15	24.1 Å²	24.1	10%	0.101	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	120.4	170.5	-178.6	0	0	0	0	109.7	R156 T157 A158 F159	R156-C209 HydrophobicContact CG-CB 4.44Å; T157-C209 PolarHBondContact O-N 3.34Å; A158-C209 CarbonylContact C-O 3.57Å; A158-C209 WeakPolarHBondContact CA-O 2.56Å; A158-C209 HydrophobicContact CB-CB 4.19Å; F159-C209 PolarHBondContact N-O 2.94Å
210	C	97.2	Very high	93.9	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.02	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	125.3	163.4	-59.9	0	0	0	0	108.3	F159 L166 I169 V197 V198	F159-C210 CarbonylContact O-C 3.56Å; F159-C210 WeakPolarHBondContact O-CA 3.45Å; L166-C210 HydrophobicContact CD2-CB 3.88Å; L166-C210 WeakPolarHBondContact CD2-O 3.42Å; I169-C210 HydrophobicContact CD1-CB 4.37Å; V197-C210 CarbonylContact C-O 3.58Å; V197-C210 WeakPolarHBondContact CA-O 3.42Å; V198-C210 HydrophobicContact CG1-CB 3.71Å; V198-C210 PolarHBondContact N-O 2.79Å; V198-C210 PolarHBondContact O-N 3.4Å
211	V	97.8	Very high	94	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.024	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	145.1	-178.2	62.9	0	0	0	0	111.1	L6 F159 A160 C161 V195 S196 V197 D213 Y216	L6-V211 HydrophobicContact CD1-CG1 3.35Å; F159-V211 PolarHBondContact O-N 3.03Å; A160-V211 WeakPolarHBondContact CA-O 3.46Å; C161-V211 PolarHBondContact N-O 3Å; V195-V211 HydrophobicContact CB-CG2 3.78Å; V195-V211 HydrophobicContact CG1-CG2 4.3Å; V195-V211 HydrophobicContact CG2-CG2 4.09Å; S196-V211 WeakPolarHBondContact O-CA 3.49Å; V197-V211 HydrophobicContact CG1-CB 3.94Å; V197-V211 HydrophobicContact CG1-CG2 3.77Å; V211-D213 PolarHBondContact O-N 3.47Å; V211-Y216 HydrophobicContact CG1-CD2 3.79Å; V211-Y216 HydrophobicContact CG1-CE2 4.38Å; V211-Y216 HydrophobicContact CG1-CG 4.08Å; V211-Y216 HydrophobicContact CG2-CD2 3.96Å; V211-Y216 HydrophobicContact CG2-CG 4.46Å
212	G	98	Very high	94.2	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	116.4	173	0	0	0	0	0	111.9	C161 T163 S196 E214 Y216	C161-G212 CarbonylContact O-C 3.52Å; C161-G212 WeakPolarHBondContact O-CA 3.18Å; T163-G212 VanDerWaalsContact OG1-CA 3.24Å; T163-G212 WeakPolarHBondContact OG1-CA 3.33Å; S196-G212 PolarHBondContact O-N 3.1Å; G212-E214 VanDerWaalsContact C-N 3.29Å; G212-E214 PolarHBondContact O-N 3.27Å; G212-Y216 WeakPolarHBondContact O-CB 3.33Å; G212-Y216 PolarHBondContact O-N 2.79Å; G212-Y216 VanDerWaalsContact O-N 3.1Å
213	D	97.6	Very high	94.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-34.9	-173	-168.6	53.3	0	0	0	111.7	M1 R4 A160 C161 V211 N215 Y216 R217	M1-D213 HydrophobicContact CE-CB 4.46Å; M1-D213 WeakPolarHBondContact CE-OD2 2.95Å; M1-D213 HydrophobicContact CG-CB 4.18Å; M1-D213 WeakPolarHBondContact CG-OD2 3.26Å; M1-D213 HydrophobicContact SD-CB 3.58Å; M1-D213 VanDerWaalsContact SD-CB 3.58Å; R4-D213 IonicContact NH2-OD1 3.29Å; R4-D213 PolarHBondContact NH2-OD1 2.86Å; A160-D213 HydrophobicContact CB-CB 3.81Å; A160-D213 VanDerWaalsContact CB-OD1 3.27Å; A160-D213 WeakPolarHBondContact CB-OD1 3.04Å; C161-D213 PolarHBondContact O-N 2.92Å; V211-D213 PolarHBondContact O-N 3.47Å; D213-N215 PolarHBondContact O-N 3.37Å; D213-Y216 PolarHBondContact O-N 3.23Å; D213-R217 VanDerWaalsContact O-CG 3.29Å; D213-R217 WeakPolarHBondContact O-CG 3.3Å; D213-R217 PolarHBondContact O-N 3.13Å; D213-R217 IonicContact OD1-CZ 3.84Å; D213-R217 IonicContact OD1-NE 3.56Å; D213-R217 IonicContact OD1-NH2 3.65Å; D213-R217 IonicContact OD2-CZ 3.36Å; D213-R217 IonicContact OD2-NE 2.83Å; D213-R217 PolarHBondContact OD2-NE 2.87Å; D213-R217 IonicContact OD2-NH2 3.01Å; D213-R217 PolarHBondContact OD2-NH2 2.72Å
214	E	96.4	Very high	94.5	Very high	73 Å²	73	38.4 Å²	38.4	34%	0.341	20%	0.196	S	C	.	.	H	α-helix	trans	-56.5	-55.4	-176.9	-63.1	87.2	161.9	0	0	112.1	M1 T163 G212	M1-E214 HydrophobicContact CE-CG 4.18Å; M1-E214 HydrophobicContact SD-CG 3.9Å; T163-E214 VanDerWaalsContact CB-OE2 3.27Å; T163-E214 WeakPolarHBondContact CB-OE2 3.31Å; T163-E214 PolarHBondContact N-OE1 3.33Å; T163-E214 PolarHBondContact N-OE2 3.29Å; T163-E214 PolarHBondContact OG1-OE2 3.12Å; G212-E214 VanDerWaalsContact C-N 3.29Å; G212-E214 PolarHBondContact O-N 3.27Å
215	N	97	Very high	94.7	Very high	66 Å²	66	44 Å²	44	35%	0.353	22%	0.222	S	C	.	.	H	α-helix	trans	-80.2	-25.2	178.9	-69.9	-7.9	0	0	0	112	T194 V195 D213 R217 D218 L219	T194-N215 VanDerWaalsContact O-CB 3.28Å; T194-N215 WeakPolarHBondContact O-CB 3.46Å; T194-N215 PolarHBondContact O-ND2 3.24Å; V195-N215 HydrophobicContact CG1-CB 4.04Å; D213-N215 PolarHBondContact O-N 3.37Å; N215-R217 VanDerWaalsContact C-N 3.3Å; N215-R217 PolarHBondContact O-N 3.25Å; N215-D218 PolarHBondContact O-N 3.37Å; N215-L219 PolarHBondContact O-N 3.2Å
216	Y	97.6	Very high	95	Very high	8 Å²	8	43.3 Å²	43.3	3%	0.031	21%	0.209	C	C	.	.	H	α-helix	trans	-60.7	-41.6	175.4	-173	-95.5	0	0	0	111.2	L6 H7 E62 V211 G212 D213 D218 L219 S220	L6-Y216 HydrophobicContact CB-CE1 4.44Å; L6-Y216 HydrophobicContact CD1-CD1 3.93Å; L6-Y216 HydrophobicContact CD1-CD2 4.17Å; L6-Y216 HydrophobicContact CD1-CE1 3.73Å; L6-Y216 HydrophobicContact CD1-CE2 3.94Å; L6-Y216 HydrophobicContact CD1-CG 4.16Å; L6-Y216 HydrophobicContact CD2-CD1 3.98Å; L6-Y216 HydrophobicContact CD2-CE1 3.67Å; L6-Y216 HydrophobicContact CG-CE1 4.15Å; H7-Y216 PolarHBondContact CE1-OH 3.4Å; H7-Y216 AromaticContact ND1-CZ 4Å; H7-Y216 PolarHBondContact ND1-OH 2.85Å; E62-Y216 PolarHBondContact OE1-OH 2.97Å; V211-Y216 HydrophobicContact CG1-CD2 3.79Å; V211-Y216 HydrophobicContact CG1-CE2 4.38Å; V211-Y216 HydrophobicContact CG1-CG 4.08Å; V211-Y216 HydrophobicContact CG2-CD2 3.96Å; V211-Y216 HydrophobicContact CG2-CG 4.46Å; G212-Y216 WeakPolarHBondContact O-CB 3.33Å; G212-Y216 PolarHBondContact O-N 2.79Å; G212-Y216 VanDerWaalsContact O-N 3.1Å; D213-Y216 PolarHBondContact O-N 3.23Å; Y216-D218 VanDerWaalsContact C-N 3.27Å; Y216-D218 PolarHBondContact O-N 2.87Å; Y216-L219 HydrophobicContact CD2-CD2 4.36Å; Y216-L219 WeakPolarHBondContact O-CB 3.49Å; Y216-L219 PolarHBondContact O-N 2.89Å; Y216-L219 VanDerWaalsContact O-N 3.13Å; Y216-S220 VanDerWaalsContact O-CB 3.22Å; Y216-S220 WeakPolarHBondContact O-CB 3.48Å; Y216-S220 PolarHBondContact O-N 3.45Å; Y216-S220 PolarHBondContact O-OG 3.19Å
217	R	97.3	Very high	95.2	Very high	73 Å²	73	42.8 Å²	42.8	28%	0.275	21%	0.206	S	C	.	.	H	α-helix	trans	-60.9	-34	176.4	-70.2	-178.1	-178.9	-77.8	-1.7	113.6	D63 D213 N215	D63-R217 WeakPolarHBondContact OD1-CG 3.45Å; D63-R217 IonicContact OD1-CZ 3.85Å; D63-R217 IonicContact OD1-NH1 2.84Å; D63-R217 PolarHBondContact OD1-NH1 3.4Å; D213-R217 VanDerWaalsContact O-CG 3.29Å; D213-R217 WeakPolarHBondContact O-CG 3.3Å; D213-R217 PolarHBondContact O-N 3.13Å; D213-R217 IonicContact OD1-CZ 3.84Å; D213-R217 IonicContact OD1-NE 3.56Å; D213-R217 IonicContact OD1-NH2 3.65Å; D213-R217 IonicContact OD2-CZ 3.36Å; D213-R217 IonicContact OD2-NE 2.83Å; D213-R217 PolarHBondContact OD2-NE 2.87Å; D213-R217 IonicContact OD2-NH2 3.01Å; D213-R217 PolarHBondContact OD2-NH2 2.72Å; N215-R217 VanDerWaalsContact C-N 3.3Å; N215-R217 PolarHBondContact O-N 3.25Å
218	D	97.1	Very high	95.1	Very high	82 Å²	82	43.5 Å²	43.5	44%	0.439	21%	0.211	S	C	.	.	H	α-helix	trans	-75	-35.6	174.6	-80.2	-38.6	0	0	0	112.5	A193 N215 Y216 K221	A193-D218 HydrophobicContact CB-CB 3.75Å; N215-D218 PolarHBondContact O-N 3.37Å; Y216-D218 VanDerWaalsContact C-N 3.27Å; Y216-D218 PolarHBondContact O-N 2.87Å; D218-K221 WeakPolarHBondContact OD1-CE 3.5Å; D218-K221 IonicContact OD1-NZ 3.57Å; D218-K221 PolarHBondContact OD1-NZ 2.95Å
219	L	97.5	Very high	94.9	Very high	10 Å²	10	47.4 Å²	47.4	5%	0.052	24%	0.235	C	C	.	.	H	α-helix	trans	-67.4	-41	174.7	172.6	66.2	0	0	0	112.4	T189 K192 A193 V195 N215 Y216 K221	T189-L219 HydrophobicContact CG2-CD1 3.93Å; K192-L219 HydrophobicContact CB-CD1 3.63Å; K192-L219 HydrophobicContact CD-CD1 3.76Å; K192-L219 HydrophobicContact CG-CD1 4.34Å; A193-L219 HydrophobicContact CB-CB 4.37Å; V195-L219 HydrophobicContact CG1-CB 4.04Å; V195-L219 HydrophobicContact CG1-CD2 3.63Å; V195-L219 HydrophobicContact CG1-CG 4.45Å; V195-L219 HydrophobicContact CG2-CD2 4.11Å; N215-L219 PolarHBondContact O-N 3.2Å; Y216-L219 HydrophobicContact CD2-CD2 4.36Å; Y216-L219 WeakPolarHBondContact O-CB 3.49Å; Y216-L219 PolarHBondContact O-N 2.89Å; Y216-L219 VanDerWaalsContact O-N 3.13Å; L219-K221 VanDerWaalsContact C-N 3.32Å; L219-K221 PolarHBondContact O-N 3.22Å
220	S	97.5	Very high	94.5	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.014	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	14.2	-166.4	69.8	0	0	0	0	114.7	Y216 W222	Y216-S220 VanDerWaalsContact O-CB 3.22Å; Y216-S220 WeakPolarHBondContact O-CB 3.48Å; Y216-S220 PolarHBondContact O-N 3.45Å; Y216-S220 PolarHBondContact O-OG 3.19Å; S220-W222 PolarHBondContact O-N 3.04Å
221	K	96.6	Very high	93.9	Very high	121 Å²	121	51.6 Å²	51.6	53%	0.526	25%	0.251	S	S	.	.			trans	-57.6	127.6	176.9	-71.7	176.9	-179.3	154.2	0	110.1	D218 L219 E223	D218-K221 WeakPolarHBondContact OD1-CE 3.5Å; D218-K221 IonicContact OD1-NZ 3.57Å; D218-K221 PolarHBondContact OD1-NZ 2.95Å; L219-K221 VanDerWaalsContact C-N 3.32Å; L219-K221 PolarHBondContact O-N 3.22Å; K221-E223 PolarHBondContact O-N 2.86Å
222	W	95	Very high	93.2	Very high	89 Å²	89	60.1 Å²	60.1	34%	0.337	28%	0.282	S	S	.	.			trans	-60.1	132.8	173.6	173.8	26.7	0	0	0	109.9	L31 P61 S220 P224 E227	L31-W222 HydrophobicContact CD2-CG 4.41Å; L31-W222 VanDerWaalsContact O-CD1 3.29Å; P61-W222 HydrophobicContact CG-CE3 4.33Å; S220-W222 PolarHBondContact O-N 3.04Å; W222-P224 HydrophobicContact CZ2-CB 4.31Å; W222-P224 HydrophobicContact CZ2-CG 4.25Å; W222-P224 WeakPolarHBondContact O-CD 3.5Å; W222-E227 WeakPolarHBondContact CZ2-OE2 3.38Å
223	E	95.3	Very high	92.5	Very high	51 Å²	51	63.4 Å²	63.4	24%	0.238	30%	0.302	C	S	.	.			trans	-107.8	95.9	179.1	-64.3	173.5	172.6	0	0	110.8	L31 R32 K192 K221 E225 T226 E227	L31-E223 PolarHBondContact O-N 2.9Å; R32-E223 HydrophobicContact CB-CG 4.15Å; K192-E223 WeakPolarHBondContact CE-OE1 3.41Å; K192-E223 IonicContact NZ-OE1 3.63Å; K192-E223 PolarHBondContact NZ-OE1 2.63Å; K221-E223 PolarHBondContact O-N 2.86Å; E223-E225 VanDerWaalsContact C-N 3.27Å; E223-E225 PolarHBondContact O-N 2.91Å; E223-T226 WeakPolarHBondContact CB-OG1 3.47Å; E223-T226 WeakPolarHBondContact O-CB 2.97Å; E223-T226 PolarHBondContact O-N 3.37Å; E223-T226 VanDerWaalsContact O-N 3.12Å; E223-T226 PolarHBondContact OE2-OG1 3.44Å; E223-E227 PolarHBondContact O-N 3.11Å
224	P	91.6	Very high	91.6	Very high	68 Å²	68	64.8 Å²	64.8	44%	0.442	31%	0.308	S	S	.	.	H	α-helix	trans	-60.3	-34.3	-176.8	-25.9	35.5	0	0	0	113.7	W222 T226 E227 L228	W222-P224 HydrophobicContact CZ2-CB 4.31Å; W222-P224 HydrophobicContact CZ2-CG 4.25Å; W222-P224 WeakPolarHBondContact O-CD 3.5Å; P224-T226 VanDerWaalsContact C-N 3.33Å; P224-T226 PolarHBondContact O-N 2.97Å; P224-E227 WeakPolarHBondContact O-CB 3.48Å; P224-E227 PolarHBondContact O-N 2.91Å; P224-L228 WeakPolarHBondContact O-CG 3.47Å; P224-L228 PolarHBondContact O-N 3.05Å; P224-L228 VanDerWaalsContact O-N 3.1Å
225	E	91.7	Very high	90.7	Very high	140 Å²	140	65.2 Å²	65.2	65%	0.654	31%	0.309	S	S	*	.	H	α-helix	trans	-65.4	-36.8	178.4	-61.9	-58.9	157.6	0	0	112	E223 E227 L228 V229	E223-E225 VanDerWaalsContact C-N 3.27Å; E223-E225 PolarHBondContact O-N 2.91Å; E225-E227 VanDerWaalsContact C-N 3.35Å; E225-L228 PolarHBondContact O-N 3.12Å; E225-V229 WeakPolarHBondContact O-CG2 3.15Å; E225-V229 PolarHBondContact O-N 3.3Å; E225-V229 VanDerWaalsContact O-N 3.08Å
226	T	90.7	Very high	89.5	Confident	28 Å²	28	67.4 Å²	67.4	17%	0.172	33%	0.327	C	S	.	.	H	α-helix	trans	-62.4	-44.2	174.8	-61.5	0	0	0	0	110.4	V30 H33 E223 P224 L228 V229 W230	V30-T226 HydrophobicContact CG1-CG2 3.98Å; H33-T226 HydrophobicContact CB-CG2 3.58Å; E223-T226 WeakPolarHBondContact CB-OG1 3.47Å; E223-T226 WeakPolarHBondContact O-CB 2.97Å; E223-T226 PolarHBondContact O-N 3.37Å; E223-T226 VanDerWaalsContact O-N 3.12Å; E223-T226 PolarHBondContact OE2-OG1 3.44Å; P224-T226 VanDerWaalsContact C-N 3.33Å; P224-T226 PolarHBondContact O-N 2.97Å; T226-L228 VanDerWaalsContact C-N 3.3Å; T226-L228 PolarHBondContact O-N 2.99Å; T226-V229 PolarHBondContact O-N 3.23Å; T226-W230 PolarHBondContact O-N 3.07Å
227	E	89.8	Confident	88.2	Confident	10 Å²	10	72.5 Å²	72.5	5%	0.047	36%	0.364	C	S	.	.	H	α-helix	trans	-59.2	-41.1	175.3	-166	-169.1	172.2	0	0	112.1	R29 V30 W222 E223 P224 E225 W230 K231	R29-E227 IonicContact CZ-OE1 2.7Å; R29-E227 IonicContact CZ-OE2 2.81Å; R29-E227 IonicContact NE-OE1 2.73Å; R29-E227 PolarHBondContact NE-OE1 2.85Å; R29-E227 IonicContact NE-OE2 3.18Å; R29-E227 VanDerWaalsContact NH2-CD 3.33Å; R29-E227 IonicContact NH2-OE1 3.69Å; R29-E227 PolarHBondContact NH2-OE1 2.86Å; R29-E227 IonicContact NH2-OE2 2.83Å; R29-E227 PolarHBondContact NH2-OE2 3.08Å; V30-E227 WeakPolarHBondContact O-CB 3.25Å; W222-E227 WeakPolarHBondContact CZ2-OE2 3.38Å; E223-E227 PolarHBondContact O-N 3.11Å; P224-E227 WeakPolarHBondContact O-CB 3.48Å; P224-E227 PolarHBondContact O-N 2.91Å; E225-E227 VanDerWaalsContact C-N 3.35Å; E227-W230 PolarHBondContact O-N 3.22Å; E227-K231 HydrophobicContact CG-CD 4.17Å; E227-K231 WeakPolarHBondContact O-CB 3.48Å; E227-K231 WeakPolarHBondContact O-CG 3.46Å; E227-K231 PolarHBondContact O-N 3.09Å; E227-K231 WeakPolarHBondContact OE1-CE 3.37Å; E227-K231 IonicContact OE1-NZ 3.13Å; E227-K231 PolarHBondContact OE1-NZ 2.95Å
228	L	87.7	Confident	86.6	Confident	68 Å²	68	71.3 Å²	71.3	36%	0.356	37%	0.366	S	S	.	.	H	α-helix	trans	-64.3	-40.3	179	-70.7	175.2	0	0	0	112.3	P224 E225 T226 K231 R232	P224-L228 WeakPolarHBondContact O-CG 3.47Å; P224-L228 PolarHBondContact O-N 3.05Å; P224-L228 VanDerWaalsContact O-N 3.1Å; E225-L228 PolarHBondContact O-N 3.12Å; T226-L228 VanDerWaalsContact C-N 3.3Å; T226-L228 PolarHBondContact O-N 2.99Å; L228-K231 PolarHBondContact O-N 2.85Å; L228-R232 WeakPolarHBondContact O-CG 3.46Å; L228-R232 PolarHBondContact O-N 2.83Å
229	V	88.6	Confident	84.5	Confident	84 Å²	84	77.4 Å²	77.4	51%	0.509	39%	0.389	S	S	.	.	H	α-helix	trans	-58	-51	175.1	171.3	0	0	0	0	110.2	E225 T226 R232 V233	E225-V229 WeakPolarHBondContact O-CG2 3.15Å; E225-V229 PolarHBondContact O-N 3.3Å; E225-V229 VanDerWaalsContact O-N 3.08Å; T226-V229 PolarHBondContact O-N 3.23Å; V229-R232 PolarHBondContact O-N 3.48Å; V229-V233 WeakPolarHBondContact O-CG2 3.39Å; V229-V233 PolarHBondContact O-N 2.97Å; V229-V233 VanDerWaalsContact O-N 3.09Å
230	W	86.8	Confident	82.2	Confident	37 Å²	37	87.8 Å²	87.8	14%	0.14	43%	0.429	C	S	.	.	H	α-helix	trans	-67.6	-37.9	-178.9	-74.7	109.6	0	0	0	112.9	L15 L19 V30 H33 T226 E227 R232 V233 F234	L15-W230 HydrophobicContact CD2-CH2 3.95Å; L15-W230 HydrophobicContact CD2-CZ2 4.41Å; L15-W230 HydrophobicContact CG-CH2 4.42Å; L19-W230 HydrophobicContact CD1-CD2 4.02Å; L19-W230 HydrophobicContact CD1-CE3 3.69Å; L19-W230 HydrophobicContact CD1-CH2 3.6Å; L19-W230 HydrophobicContact CD1-CZ2 3.94Å; L19-W230 HydrophobicContact CD1-CZ3 3.47Å; L19-W230 VanDerWaalsContact CD1-CZ3 3.47Å; V30-W230 HydrophobicContact CB-CB 4.3Å; V30-W230 HydrophobicContact CB-CG 4.22Å; V30-W230 HydrophobicContact CG1-CG 4.27Å; V30-W230 HydrophobicContact CG2-CB 3.83Å; V30-W230 HydrophobicContact CG2-CG 3.8Å; H33-W230 AromaticContact CE1-CZ2 3.89Å; H33-W230 AromaticContact CG-NE1 3.98Å; H33-W230 AromaticContact ND1-CZ2 3.82Å; T226-W230 PolarHBondContact O-N 3.07Å; E227-W230 PolarHBondContact O-N 3.22Å; W230-R232 VanDerWaalsContact C-N 3.3Å; W230-R232 PolarHBondContact O-N 2.77Å; W230-V233 HydrophobicContact CE3-CB 4.46Å; W230-V233 HydrophobicContact CE3-CG1 4.36Å; W230-V233 HydrophobicContact CZ3-CG1 4.49Å; W230-V233 WeakPolarHBondContact O-CB 3.33Å; W230-V233 PolarHBondContact O-N 3.26Å; W230-V233 VanDerWaalsContact O-N 3.11Å; W230-F234 HydrophobicContact CB-CD2 4.31Å; W230-F234 HydrophobicContact CB-CE2 3.76Å; W230-F234 HydrophobicContact CD2-CE2 4.46Å; W230-F234 HydrophobicContact CD2-CZ 4.38Å; W230-F234 HydrophobicContact CE3-CE1 4.38Å; W230-F234 AromaticContact CE3-CE2 3.99Å; W230-F234 HydrophobicContact CE3-CE2 3.99Å; W230-F234 AromaticContact CE3-CZ 3.55Å; W230-F234 HydrophobicContact CE3-CZ 3.55Å; W230-F234 HydrophobicContact CG-CE2 4.43Å; W230-F234 HydrophobicContact CZ3-CZ 4.19Å; W230-F234 WeakPolarHBondContact O-CD2 3.19Å; W230-F234 WeakPolarHBondContact O-CG 3.35Å; W230-F234 PolarHBondContact O-N 3.44Å
231	K	83.3	Confident	81.4	Confident	69 Å²	69	92.1 Å²	92.1	30%	0.3	45%	0.45	S	S	.	.	H	α-helix	trans	-58.1	-40.5	172.2	-82.6	174.4	165.8	167.6	0	112.5	E227 L228 V233 F235	E227-K231 HydrophobicContact CG-CD 4.17Å; E227-K231 WeakPolarHBondContact O-CB 3.48Å; E227-K231 WeakPolarHBondContact O-CG 3.46Å; E227-K231 PolarHBondContact O-N 3.09Å; E227-K231 WeakPolarHBondContact OE1-CE 3.37Å; E227-K231 IonicContact OE1-NZ 3.13Å; E227-K231 PolarHBondContact OE1-NZ 2.95Å; L228-K231 PolarHBondContact O-N 2.85Å; K231-V233 VanDerWaalsContact C-N 3.34Å; K231-F235 WeakPolarHBondContact O-CA 3.49Å; K231-F235 WeakPolarHBondContact O-CB 3.4Å; K231-F235 PolarHBondContact O-N 3.09Å
232	R	84.1	Confident	80.6	Confident	182 Å²	182	90.6 Å²	90.6	69%	0.687	45%	0.446	S	S	*	.	H	α-helix	trans	-67.4	-34.9	175.3	-71.2	175.2	-174.9	168.4	5.8	112.4	L228 V229 W230 P236	L228-R232 WeakPolarHBondContact O-CG 3.46Å; L228-R232 PolarHBondContact O-N 2.83Å; V229-R232 PolarHBondContact O-N 3.48Å; W230-R232 VanDerWaalsContact C-N 3.3Å; W230-R232 PolarHBondContact O-N 2.77Å; R232-P236 VanDerWaalsContact O-CA 3.29Å; R232-P236 WeakPolarHBondContact O-CA 3.36Å
233	V	84.1	Confident	79.8	Confident	70 Å²	70	90.7 Å²	90.7	42%	0.424	45%	0.452	S	S	.	.	H	α-helix	trans	-68	-43.2	176.3	170.4	0	0	0	0	111.3	M16 V229 W230 K231	M16-V233 HydrophobicContact CE-CG1 3.59Å; M16-V233 HydrophobicContact SD-CG1 3.77Å; V229-V233 WeakPolarHBondContact O-CG2 3.39Å; V229-V233 PolarHBondContact O-N 2.97Å; V229-V233 VanDerWaalsContact O-N 3.09Å; W230-V233 HydrophobicContact CE3-CB 4.46Å; W230-V233 HydrophobicContact CE3-CG1 4.36Å; W230-V233 HydrophobicContact CZ3-CG1 4.49Å; W230-V233 WeakPolarHBondContact O-CB 3.33Å; W230-V233 PolarHBondContact O-N 3.26Å; W230-V233 VanDerWaalsContact O-N 3.11Å; K231-V233 VanDerWaalsContact C-N 3.34Å
234	F	78.5	Confident	78.9	Confident	29 Å²	29	93 Å²	93	13%	0.127	46%	0.464	C	S	.	.	H	α-helix	trans	-78.8	-34.7	179.9	-59.9	-51.2	0	0	0	113.9	M16 L19 V23 W230 P236	M16-F234 HydrophobicContact CE-CD1 3.61Å; M16-F234 HydrophobicContact CE-CE1 3.66Å; M16-F234 HydrophobicContact SD-CD1 4.16Å; M16-F234 HydrophobicContact SD-CE1 3.56Å; M16-F234 VanDerWaalsContact SD-CE1 3.56Å; M16-F234 HydrophobicContact SD-CZ 4.47Å; L19-F234 HydrophobicContact CB-CE1 3.84Å; L19-F234 HydrophobicContact CB-CE2 4.18Å; L19-F234 HydrophobicContact CB-CZ 3.28Å; L19-F234 HydrophobicContact CD1-CZ 4.01Å; L19-F234 HydrophobicContact CG-CZ 4.28Å; V23-F234 HydrophobicContact CB-CD2 4.26Å; V23-F234 HydrophobicContact CB-CE2 4.09Å; V23-F234 HydrophobicContact CG1-CD2 3.91Å; V23-F234 HydrophobicContact CG1-CE2 4.11Å; V23-F234 HydrophobicContact CG2-CE2 4.07Å; W230-F234 HydrophobicContact CB-CD2 4.31Å; W230-F234 HydrophobicContact CB-CE2 3.76Å; W230-F234 HydrophobicContact CD2-CE2 4.46Å; W230-F234 HydrophobicContact CD2-CZ 4.38Å; W230-F234 HydrophobicContact CE3-CE1 4.38Å; W230-F234 AromaticContact CE3-CE2 3.99Å; W230-F234 HydrophobicContact CE3-CE2 3.99Å; W230-F234 AromaticContact CE3-CZ 3.55Å; W230-F234 HydrophobicContact CE3-CZ 3.55Å; W230-F234 HydrophobicContact CG-CE2 4.43Å; W230-F234 HydrophobicContact CZ3-CZ 4.19Å; W230-F234 WeakPolarHBondContact O-CD2 3.19Å; W230-F234 WeakPolarHBondContact O-CG 3.35Å; W230-F234 PolarHBondContact O-N 3.44Å; F234-P236 VanDerWaalsContact C-CD 3.46Å; F234-P236 WeakPolarHBondContact O-CD 3.43Å
235	F	77.4	Confident	78.1	Confident	82 Å²	82	94.6 Å²	94.6	36%	0.36	47%	0.466	S	S	.	.			trans	-128.8	65.1	-174.5	-52.8	-75.3	0	0	0	111.1	K231 S237 S238	K231-F235 WeakPolarHBondContact O-CA 3.49Å; K231-F235 WeakPolarHBondContact O-CB 3.4Å; K231-F235 PolarHBondContact O-N 3.09Å; F235-S237 PolarHBondContact O-N 3.3Å; F235-S238 WeakPolarHBondContact O-CB 3.29Å; F235-S238 PolarHBondContact O-N 2.96Å
236	P	72.4	Confident	77.2	Confident	112 Å²	112	91.5 Å²	91.5	73%	0.727	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.6	-174.4	24.1	-34.3	0	0	0	113.7	R232 F234	R232-P236 VanDerWaalsContact O-CA 3.29Å; R232-P236 WeakPolarHBondContact O-CA 3.36Å; F234-P236 VanDerWaalsContact C-CD 3.46Å; F234-P236 WeakPolarHBondContact O-CD 3.43Å
237	S	69.3	Low	76.3	Confident	116 Å²	116	96.1 Å²	96.1	81%	0.811	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-5.2	176.9	55.1	0	0	0	0	114.4	F235	F235-S237 PolarHBondContact O-N 3.3Å
238	S	62.9	Low	75.2	Confident	47 Å²	47	102.7 Å²	102.7	33%	0.329	51%	0.506	S	S	.	.			trans	-81.8	127.3	-179.4	-170	0	0	0	0	111.4	F235 Y240	F235-S238 WeakPolarHBondContact O-CB 3.29Å; F235-S238 PolarHBondContact O-N 2.96Å; S238-Y240 VanDerWaalsContact CB-CD2 3.46Å; S238-Y240 VanDerWaalsContact CB-CE2 3.45Å; S238-Y240 PolarHBondContact O-N 3.17Å; S238-Y240 WeakPolarHBondContact OG-CD2 3.44Å; S238-Y240 WeakPolarHBondContact OG-CE2 3.3Å; S238-Y240 VanDerWaalsContact OG-CZ 3.26Å
239	K	53.2	Low	74.2	Confident	211 Å²	211	105.6 Å²	105.6	92%	0.917	52%	0.519	S	S	*	.			trans	-84.6	34.1	175.8	-67.5	-171.3	176.5	-176.8	0	112.9
240	Y	49.6	Very low	72.9	Confident	228 Å²	228	107.5 Å²	107.5	89%	0.894	52%	0.52	S	S	*	.			trans	-54.8	0	174.1	-64	-59.5	0	0	0	110.8	S238	S238-Y240 VanDerWaalsContact CB-CD2 3.46Å; S238-Y240 VanDerWaalsContact CB-CE2 3.45Å; S238-Y240 PolarHBondContact O-N 3.17Å; S238-Y240 WeakPolarHBondContact OG-CD2 3.44Å; S238-Y240 WeakPolarHBondContact OG-CE2 3.3Å; S238-Y240 VanDerWaalsContact OG-CZ 3.26Å

Retrieved 240 of 240 residues in 113.8 ms (Link to these results)

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