A0A077ZDX0_TRITR Loading...

Probable transcriptional regulator ycf27

AlphaFold DB , UniProt , Accession A0A077ZDX0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 223 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	83.5	Confident	95.5	Very high	149 Å²	149	52.6 Å²	52.6	73%	0.734	24%	0.238	S	C	*	.				0	134.9	0	-172.6	176.1	-109.1	0	0	107.3	N25 L27	M1-N25 HydrophobicContact CE-CB 4.43Å; M1-N25 WeakPolarHBondContact CE-O 3.38Å; M1-N25 WeakPolarHBondContact CE-OD1 3.37Å; M1-N25 VanDerWaalsContact CG-O 3.29Å; M1-N25 WeakPolarHBondContact CG-O 3.48Å; M1-L27 HydrophobicContact CG-CB 4.35Å; M1-L27 HydrophobicContact SD-CB 4.03Å
2	K	92.6	Very high	95.5	Very high	48 Å²	48	58 Å²	58	21%	0.209	27%	0.271	C	S	.	.			trans	-82.8	143.7	-179.1	-71.4	-66.6	-170.2	-178.5	0	110.4	Y26 L27 D46 L115 N119	K2-Y26 HydrophobicContact CB-CD1 3.76Å; K2-Y26 HydrophobicContact CB-CE1 3.89Å; K2-L27 PolarHBondContact O-N 2.87Å; K2-D46 VanDerWaalsContact CA-OD2 3.31Å; K2-D46 WeakPolarHBondContact CA-OD2 3.25Å; K2-D46 HydrophobicContact CD-CB 3.88Å; K2-D46 WeakPolarHBondContact CD-OD1 3.48Å; K2-D46 VanDerWaalsContact CD-OD2 3.32Å; K2-D46 WeakPolarHBondContact CD-OD2 3.23Å; K2-D46 IonicContact NZ-OD1 2.74Å; K2-D46 PolarHBondContact NZ-OD1 2.78Å; K2-L115 HydrophobicContact CB-CD1 4.29Å; K2-L115 HydrophobicContact CD-CD2 4.42Å; K2-L115 HydrophobicContact CG-CD1 4.45Å; K2-N119 VanDerWaalsContact CE-OD1 3.29Å; K2-N119 WeakPolarHBondContact CE-OD1 3.48Å; K2-N119 PolarHBondContact NZ-OD1 2.77Å
3	K	96.7	Very high	95.4	Very high	59 Å²	59	56.1 Å²	56.1	26%	0.257	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.6	-177.1	-62.9	173.9	-178.9	172.1	0	110.7	L27 Y29 Y43 Q44 D46 I47	K3-L27 CarbonylContact C-O 3.58Å; K3-L27 VanDerWaalsContact CA-O 3.26Å; K3-L27 WeakPolarHBondContact CA-O 3.38Å; K3-L27 HydrophobicContact CG-CB 4.27Å; K3-L27 HydrophobicContact CG-CD2 4.18Å; K3-Y29 HydrophobicContact CB-CE2 4.3Å; K3-Y29 HydrophobicContact CD-CE2 4.16Å; K3-Y29 HydrophobicContact CG-CE2 4.18Å; K3-Y43 VanDerWaalsContact CD-O 3.25Å; K3-Y43 WeakPolarHBondContact CD-O 3.48Å; K3-Y43 PolarHBondContact NZ-O 2.92Å; K3-Q44 WeakPolarHBondContact CD-O 3.42Å; K3-D46 PolarHBondContact N-OD2 2.77Å; K3-D46 WeakPolarHBondContact O-CB 3.38Å; K3-D46 PolarHBondContact O-N 3.04Å; K3-I47 PolarHBondContact O-N 3.49Å
4	I	98.3	Very high	95.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131.9	175.1	-58.3	-179.6	0	0	0	107.8	I6 F21 Y26 L27 V28 Y29 I47 I49 I111	I4-I6 HydrophobicContact CG2-CD1 4.33Å; I4-I6 HydrophobicContact CG2-CG1 3.77Å; I4-F21 HydrophobicContact CD1-CB 4.03Å; I4-F21 HydrophobicContact CD1-CD1 3.45Å; I4-F21 VanDerWaalsContact CD1-CD1 3.45Å; I4-F21 HydrophobicContact CD1-CD2 4.33Å; I4-F21 HydrophobicContact CD1-CE1 3.93Å; I4-F21 HydrophobicContact CD1-CG 3.68Å; I4-Y26 HydrophobicContact CD1-CD1 3.66Å; I4-Y26 HydrophobicContact CD1-CD2 3.88Å; I4-Y26 HydrophobicContact CD1-CE1 4.2Å; I4-Y26 HydrophobicContact CD1-CE2 4.38Å; I4-Y26 HydrophobicContact CD1-CG 3.5Å; I4-Y26 VanDerWaalsContact CD1-CG 3.5Å; I4-Y26 HydrophobicContact CG1-CD1 3.96Å; I4-Y26 HydrophobicContact CG1-CG 4.11Å; I4-L27 PolarHBondContact N-O 2.73Å; I4-V28 WeakPolarHBondContact O-CA 3.34Å; I4-Y29 PolarHBondContact O-N 3.4Å; I4-I47 HydrophobicContact CB-CG2 4.31Å; I4-I47 HydrophobicContact CD1-CG2 4.5Å; I4-I47 HydrophobicContact CG1-CG2 3.74Å; I4-I47 HydrophobicContact CG2-CG2 4.28Å; I4-I49 HydrophobicContact CG2-CD1 3.94Å; I4-I49 HydrophobicContact CG2-CG1 4.12Å; I4-I111 HydrophobicContact CD1-CG2 3.9Å
5	L	98.4	Very high	95.6	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.5	166.1	173.5	56.9	0	0	0	108.8	I7 Y29 Q40 L41 P45 I47 I48 I49	L5-I7 HydrophobicContact CD1-CG1 4.12Å; L5-I7 HydrophobicContact CD2-CD1 3.94Å; L5-I7 HydrophobicContact CD2-CG1 4.23Å; L5-I7 HydrophobicContact CG-CD1 4.08Å; L5-I7 HydrophobicContact CG-CG1 3.82Å; L5-Y29 CarbonylContact C-O 3.48Å; L5-Y29 WeakPolarHBondContact CA-O 3.46Å; L5-Q40 HydrophobicContact CD1-CB 3.47Å; L5-Q40 VanDerWaalsContact CD1-CB 3.47Å; L5-Q40 HydrophobicContact CD1-CG 3.92Å; L5-Q40 HydrophobicContact CD2-CB 3.87Å; L5-Q40 HydrophobicContact CG-CB 4.33Å; L5-L41 HydrophobicContact CD2-CD2 4.01Å; L5-P45 HydrophobicContact CB-CB 3.76Å; L5-P45 HydrophobicContact CB-CG 4.01Å; L5-P45 HydrophobicContact CD2-CG 4.24Å; L5-I47 PolarHBondContact N-O 3.15Å; L5-I48 HydrophobicContact CB-CG1 4.31Å; L5-I48 HydrophobicContact CD2-CD1 4.4Å; L5-I48 HydrophobicContact CD2-CG1 4.47Å; L5-I48 CarbonylContact O-C 3.46Å; L5-I48 WeakPolarHBondContact O-CA 3.48Å; L5-I49 PolarHBondContact O-N 2.93Å
6	I	98.4	Very high	95.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.3	177.8	-44.7	-177.4	0	0	0	108.1	I4 L14 F17 F21 V28 Y29 T30 A31 I49	I4-I6 HydrophobicContact CG2-CD1 4.33Å; I4-I6 HydrophobicContact CG2-CG1 3.77Å; I6-L14 HydrophobicContact CB-CD2 3.99Å; I6-L14 HydrophobicContact CG2-CD2 3.56Å; I6-F17 HydrophobicContact CD1-CB 3.67Å; I6-F17 HydrophobicContact CG2-CD2 4.12Å; I6-F21 HydrophobicContact CD1-CD2 3.96Å; I6-F21 HydrophobicContact CD1-CE2 4.47Å; I6-V28 HydrophobicContact CD1-CG1 3.68Å; I6-V28 HydrophobicContact CG1-CG1 3.99Å; I6-Y29 PolarHBondContact N-O 2.83Å; I6-T30 HydrophobicContact CB-CG2 4.47Å; I6-T30 CarbonylContact O-C 3.56Å; I6-T30 WeakPolarHBondContact O-CA 3.35Å; I6-A31 PolarHBondContact O-N 2.89Å; I6-I49 WeakPolarHBondContact CA-O 3.38Å; I6-I49 HydrophobicContact CD1-CD1 4.39Å; I6-I49 HydrophobicContact CG1-CB 4.44Å; I6-I49 HydrophobicContact CG1-CD1 4.21Å; I6-I49 HydrophobicContact CG2-CB 4.16Å; I6-I49 HydrophobicContact CG2-CG2 4.31Å
7	I	98	Very high	95.8	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	112	-177.3	-45.7	176.9	0	0	0	107.1	L5 A31 I48 I49 L50 D51 M54 L62	L5-I7 HydrophobicContact CD1-CG1 4.12Å; L5-I7 HydrophobicContact CD2-CD1 3.94Å; L5-I7 HydrophobicContact CD2-CG1 4.23Å; L5-I7 HydrophobicContact CG-CD1 4.08Å; L5-I7 HydrophobicContact CG-CG1 3.82Å; I7-A31 WeakPolarHBondContact CA-O 3.44Å; I7-A31 HydrophobicContact CG1-CB 4.28Å; I7-A31 HydrophobicContact CG2-CB 4.08Å; I7-I48 HydrophobicContact CD1-CG2 4.02Å; I7-I48 HydrophobicContact CG1-CG2 4.42Å; I7-I49 PolarHBondContact N-O 2.81Å; I7-L50 HydrophobicContact CB-CD1 3.85Å; I7-L50 HydrophobicContact CD1-CD1 4.16Å; I7-L50 HydrophobicContact CG2-CD1 4.11Å; I7-D51 WeakPolarHBondContact O-CB 3.43Å; I7-D51 PolarHBondContact O-N 2.89Å; I7-M54 HydrophobicContact CG2-CE 3.93Å; I7-M54 HydrophobicContact CG2-SD 3.65Å; I7-L62 HydrophobicContact CD1-CD2 3.66Å; I7-L62 HydrophobicContact CG2-CD2 4.4Å
8	D	96.9	Very high	95.9	Very high	1 Å²	1	55 Å²	55	1%	0.005	26%	0.259	C	S	.	.			trans	-160.4	138.5	-175	-159	-57.8	0	0	0	108.6	E10 L13 L14 A31 E32 D51 K100	D8-E10 VanDerWaalsContact C-N 3.3Å; D8-E10 VanDerWaalsContact OD1-CB 3.32Å; D8-E10 WeakPolarHBondContact OD1-CB 3.4Å; D8-E10 PolarHBondContact OD1-N 3.09Å; D8-L13 WeakPolarHBondContact OD2-CD2 3.45Å; D8-L14 HydrophobicContact CB-CD2 3.66Å; D8-L14 HydrophobicContact CB-CG 3.95Å; D8-L14 WeakPolarHBondContact O-CD1 3.45Å; D8-A31 PolarHBondContact N-O 2.83Å; D8-A31 VanDerWaalsContact N-O 3.11Å; D8-E32 WeakPolarHBondContact O-CA 3.15Å; D8-D51 HydrophobicContact CB-CB 4.05Å; D8-D51 WeakPolarHBondContact OD2-CB 3.45Å; D8-K100 IonicContact OD1-NZ 3.36Å; D8-K100 PolarHBondContact OD1-NZ 3.32Å; D8-K100 WeakPolarHBondContact OD2-CE 3.42Å; D8-K100 IonicContact OD2-NZ 3.07Å; D8-K100 PolarHBondContact OD2-NZ 3.35Å
9	D	96.3	Very high	96	Very high	71 Å²	71	57.5 Å²	57.5	38%	0.38	28%	0.275	S	S	.	.	S	Bend	trans	-79.3	-14.8	179	65.9	-52.5	0	0	0	112.7	R11 E32 P55	D9-R11 PolarHBondContact O-N 2.95Å; D9-E32 WeakPolarHBondContact CA-O 3.48Å; D9-P55 HydrophobicContact CB-CG 4.46Å
10	E	95.6	Very high	96.1	Very high	99 Å²	99	57.1 Å²	57.1	46%	0.463	27%	0.271	S	S	.	.			trans	-83.4	98.3	176.9	-167.3	-178.8	167	0	0	111.6	D8 D12 L13 L14	D8-E10 VanDerWaalsContact C-N 3.3Å; D8-E10 VanDerWaalsContact OD1-CB 3.32Å; D8-E10 WeakPolarHBondContact OD1-CB 3.4Å; D8-E10 PolarHBondContact OD1-N 3.09Å; E10-D12 PolarHBondContact O-N 2.83Å; E10-L13 HydrophobicContact CB-CB 3.94Å; E10-L13 HydrophobicContact CG-CB 3.88Å; E10-L13 WeakPolarHBondContact O-CB 3.37Å; E10-L13 PolarHBondContact O-N 2.94Å; E10-L13 VanDerWaalsContact O-N 3.11Å; E10-L14 PolarHBondContact O-N 3.29Å
11	R	95.6	Very high	96.2	Very high	150 Å²	150	54.4 Å²	54.4	57%	0.566	26%	0.258	S	S	*	.	H	α-helix	trans	-55.1	-44.2	-178.3	-69.8	-177.5	177.8	167	3	114.4	D9 L13 L14 E15 E32	D9-R11 PolarHBondContact O-N 2.95Å; R11-L13 PolarHBondContact O-N 3.11Å; R11-L14 WeakPolarHBondContact O-CB 3.32Å; R11-L14 PolarHBondContact O-N 3.46Å; R11-E15 WeakPolarHBondContact O-CG 3.19Å; R11-E15 PolarHBondContact O-N 2.72Å; R11-E32 HydrophobicContact CG-CG 4.47Å; R11-E32 IonicContact CZ-OE1 2.9Å; R11-E32 IonicContact CZ-OE2 2.98Å; R11-E32 IonicContact NE-OE1 3Å; R11-E32 PolarHBondContact NE-OE1 3.49Å; R11-E32 VanDerWaalsContact NE-OE1 3.15Å; R11-E32 IonicContact NE-OE2 3.91Å; R11-E32 PolarHBondContact NE-OE2 2.88Å; R11-E32 IonicContact NH2-OE1 3.52Å; R11-E32 IonicContact NH2-OE2 3.31Å; R11-E32 PolarHBondContact NH2-OE2 3.33Å
12	D	95.4	Very high	96.8	Very high	117 Å²	117	51.9 Å²	51.9	63%	0.626	24%	0.244	S	C	*	.	H	α-helix	trans	-62.5	-36.6	-179.2	-68.2	-11.3	0	0	0	110.9	E10 T16	E10-D12 PolarHBondContact O-N 2.83Å; D12-T16 WeakPolarHBondContact O-CB 3.42Å; D12-T16 PolarHBondContact O-N 3.32Å; D12-T16 PolarHBondContact O-OG1 2.98Å
13	L	94.1	Very high	97	Very high	33 Å²	33	56.7 Å²	56.7	17%	0.173	27%	0.271	C	S	.	.	H	α-helix	trans	-71.3	-43.3	176.1	-167	68.8	0	0	0	111.4	D8 E10 R11 E15 T16 F17 K100	D8-L13 WeakPolarHBondContact OD2-CD2 3.45Å; E10-L13 HydrophobicContact CB-CB 3.94Å; E10-L13 HydrophobicContact CG-CB 3.88Å; E10-L13 WeakPolarHBondContact O-CB 3.37Å; E10-L13 PolarHBondContact O-N 2.94Å; E10-L13 VanDerWaalsContact O-N 3.11Å; R11-L13 PolarHBondContact O-N 3.11Å; L13-E15 VanDerWaalsContact C-N 3.34Å; L13-E15 PolarHBondContact O-N 3Å; L13-T16 PolarHBondContact O-N 2.7Å; L13-F17 HydrophobicContact CD1-CD1 4.34Å; L13-F17 HydrophobicContact CD1-CE1 3.67Å; L13-F17 HydrophobicContact CD1-CE2 3.95Å; L13-F17 HydrophobicContact CD1-CZ 3.46Å; L13-F17 VanDerWaalsContact CD1-CZ 3.46Å; L13-F17 HydrophobicContact CD2-CE2 3.79Å; L13-F17 HydrophobicContact CD2-CZ 3.98Å; L13-F17 HydrophobicContact CG-CD2 4.08Å; L13-F17 HydrophobicContact CG-CE1 4.17Å; L13-F17 HydrophobicContact CG-CE2 3.57Å; L13-F17 HydrophobicContact CG-CZ 3.66Å; L13-F17 WeakPolarHBondContact O-CB 3.37Å; L13-F17 WeakPolarHBondContact O-CG 3.48Å; L13-F17 PolarHBondContact O-N 2.89Å; L13-K100 HydrophobicContact CD2-CD 4.39Å
14	L	96.7	Very high	96.9	Very high	4 Å²	4	58.3 Å²	58.3	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-56	-47.3	173.1	-79	-177.5	0	0	0	111.9	I6 D8 E10 R11 F17 R18 T30 E32	I6-L14 HydrophobicContact CB-CD2 3.99Å; I6-L14 HydrophobicContact CG2-CD2 3.56Å; D8-L14 HydrophobicContact CB-CD2 3.66Å; D8-L14 HydrophobicContact CB-CG 3.95Å; D8-L14 WeakPolarHBondContact O-CD1 3.45Å; E10-L14 PolarHBondContact O-N 3.29Å; R11-L14 WeakPolarHBondContact O-CB 3.32Å; R11-L14 PolarHBondContact O-N 3.46Å; L14-F17 PolarHBondContact O-N 3.21Å; L14-R18 WeakPolarHBondContact O-CB 3.43Å; L14-R18 PolarHBondContact O-N 3.34Å; L14-T30 HydrophobicContact CD2-CG2 4.38Å; L14-E32 HydrophobicContact CD1-CG 3.9Å
15	E	97.3	Very high	96.8	Very high	106 Å²	106	63.9 Å²	63.9	50%	0.495	31%	0.311	S	S	.	.	H	α-helix	trans	-63.1	-47.4	178.4	-72.9	-175.9	176.5	0	0	111	R11 L13 F17 R18 D19	R11-E15 WeakPolarHBondContact O-CG 3.19Å; R11-E15 PolarHBondContact O-N 2.72Å; L13-E15 VanDerWaalsContact C-N 3.34Å; L13-E15 PolarHBondContact O-N 3Å; E15-F17 VanDerWaalsContact C-N 3.34Å; E15-F17 PolarHBondContact O-N 2.9Å; E15-R18 PolarHBondContact O-N 3.2Å; E15-D19 PolarHBondContact O-N 3.37Å
16	T	97.1	Very high	96.7	Very high	68 Å²	68	65.7 Å²	65.7	42%	0.417	32%	0.318	S	S	.	.	H	α-helix	trans	-58.9	-45.1	178.2	-57.4	0	0	0	0	111.6	D12 L13 Y20 L104	D12-T16 WeakPolarHBondContact O-CB 3.42Å; D12-T16 PolarHBondContact O-N 3.32Å; D12-T16 PolarHBondContact O-OG1 2.98Å; L13-T16 PolarHBondContact O-N 2.7Å; T16-Y20 WeakPolarHBondContact O-CB 3.36Å; T16-Y20 PolarHBondContact O-N 3.27Å; T16-Y20 VanDerWaalsContact O-N 3.13Å; T16-L104 HydrophobicContact CG2-CD1 4.06Å; T16-L104 HydrophobicContact CG2-CD2 4.06Å; T16-L104 HydrophobicContact CG2-CG 4.5Å
17	F	97.5	Very high	96.7	Very high	4 Å²	4	69 Å²	69	2%	0.018	34%	0.336	C	S	.	.	H	α-helix	trans	-69.6	-40.3	177.5	-67.9	-12	0	0	0	112	I6 L13 L14 E15 Y20 F21 L77 V102 L104 L107	I6-F17 HydrophobicContact CD1-CB 3.67Å; I6-F17 HydrophobicContact CG2-CD2 4.12Å; L13-F17 HydrophobicContact CD1-CD1 4.34Å; L13-F17 HydrophobicContact CD1-CE1 3.67Å; L13-F17 HydrophobicContact CD1-CE2 3.95Å; L13-F17 HydrophobicContact CD1-CZ 3.46Å; L13-F17 VanDerWaalsContact CD1-CZ 3.46Å; L13-F17 HydrophobicContact CD2-CE2 3.79Å; L13-F17 HydrophobicContact CD2-CZ 3.98Å; L13-F17 HydrophobicContact CG-CD2 4.08Å; L13-F17 HydrophobicContact CG-CE1 4.17Å; L13-F17 HydrophobicContact CG-CE2 3.57Å; L13-F17 HydrophobicContact CG-CZ 3.66Å; L13-F17 WeakPolarHBondContact O-CB 3.37Å; L13-F17 WeakPolarHBondContact O-CG 3.48Å; L13-F17 PolarHBondContact O-N 2.89Å; L14-F17 PolarHBondContact O-N 3.21Å; E15-F17 VanDerWaalsContact C-N 3.34Å; E15-F17 PolarHBondContact O-N 2.9Å; F17-Y20 PolarHBondContact O-N 2.94Å; F17-F21 HydrophobicContact CB-CD2 4.36Å; F17-F21 HydrophobicContact CB-CE2 4.48Å; F17-F21 WeakPolarHBondContact O-CB 3.46Å; F17-F21 WeakPolarHBondContact O-CD2 3.47Å; F17-F21 PolarHBondContact O-N 3.37Å; F17-L77 HydrophobicContact CD2-CD1 4.34Å; F17-L77 HydrophobicContact CE2-CD1 3.41Å; F17-L77 VanDerWaalsContact CE2-CD1 3.41Å; F17-L77 HydrophobicContact CZ-CD1 4.08Å; F17-V102 HydrophobicContact CZ-CG1 4.2Å; F17-L104 HydrophobicContact CD1-CD2 3.37Å; F17-L104 HydrophobicContact CE1-CD2 3.63Å; F17-L107 HydrophobicContact CD1-CD2 4.09Å; F17-L107 HydrophobicContact CD2-CD2 4.01Å; F17-L107 HydrophobicContact CE1-CD2 3.85Å; F17-L107 HydrophobicContact CE2-CD2 3.78Å; F17-L107 HydrophobicContact CG-CD2 4.16Å; F17-L107 HydrophobicContact CZ-CD2 3.67Å
18	R	97.8	Very high	96.7	Very high	79 Å²	79	69.7 Å²	69.7	30%	0.298	34%	0.339	S	S	.	.	H	α-helix	trans	-58.1	-51	176.7	-177	-166.2	-68	158.2	0.2	110.8	L14 E15 Y20 F21 Q22 V28 T30	L14-R18 WeakPolarHBondContact O-CB 3.43Å; L14-R18 PolarHBondContact O-N 3.34Å; E15-R18 PolarHBondContact O-N 3.2Å; R18-Y20 VanDerWaalsContact C-N 3.35Å; R18-Y20 PolarHBondContact O-N 2.94Å; R18-F21 PolarHBondContact O-N 3.31Å; R18-Q22 HydrophobicContact CG-CG 4.29Å; R18-Q22 WeakPolarHBondContact O-CB 3.26Å; R18-Q22 VanDerWaalsContact O-CG 3.26Å; R18-Q22 WeakPolarHBondContact O-CG 3.39Å; R18-Q22 PolarHBondContact O-N 3.36Å; R18-V28 HydrophobicContact CB-CG1 4.22Å; R18-V28 HydrophobicContact CG-CB 4.1Å; R18-V28 HydrophobicContact CG-CG1 3.98Å; R18-T30 HydrophobicContact CB-CG2 4.32Å; R18-T30 HydrophobicContact CG-CG2 4.48Å; R18-T30 PolarHBondContact NH2-OG1 3.04Å
19	D	97.7	Very high	96.8	Very high	103 Å²	103	71.7 Å²	71.7	55%	0.551	35%	0.347	S	S	*	.	H	α-helix	trans	-61.4	-44.8	-179.3	-73.4	-5	0	0	0	111.3	E15 F21 Q22 L23	E15-D19 PolarHBondContact O-N 3.37Å; D19-F21 PolarHBondContact O-N 3.23Å; D19-Q22 PolarHBondContact O-N 3.29Å; D19-L23 WeakPolarHBondContact O-CB 3.47Å; D19-L23 PolarHBondContact O-N 3.01Å
20	Y	98.1	Very high	96.9	Very high	49 Å²	49	69.5 Å²	69.5	19%	0.192	34%	0.337	C	S	.	.	H	α-helix	trans	-58.7	-49.3	176.7	176.1	-102.8	0	0	0	112.2	T16 F17 R18 L23 M24 L104	T16-Y20 WeakPolarHBondContact O-CB 3.36Å; T16-Y20 PolarHBondContact O-N 3.27Å; T16-Y20 VanDerWaalsContact O-N 3.13Å; F17-Y20 PolarHBondContact O-N 2.94Å; R18-Y20 VanDerWaalsContact C-N 3.35Å; R18-Y20 PolarHBondContact O-N 2.94Å; Y20-L23 WeakPolarHBondContact O-CB 3.49Å; Y20-L23 PolarHBondContact O-N 3.34Å; Y20-M24 HydrophobicContact CE1-CG 4.44Å; Y20-M24 WeakPolarHBondContact O-CG 3.38Å; Y20-M24 PolarHBondContact O-N 2.79Å; Y20-L104 HydrophobicContact CD1-CB 4.37Å; Y20-L104 HydrophobicContact CD1-CD2 4.34Å; Y20-L104 HydrophobicContact CD2-CB 3.94Å; Y20-L104 HydrophobicContact CD2-CD1 4.11Å; Y20-L104 HydrophobicContact CD2-CG 4.45Å; Y20-L104 HydrophobicContact CE1-CB 4.46Å; Y20-L104 VanDerWaalsContact CE1-O 3.29Å; Y20-L104 WeakPolarHBondContact CE1-O 3.49Å; Y20-L104 HydrophobicContact CE2-CB 4.05Å; Y20-L104 HydrophobicContact CG-CB 4.11Å; Y20-L104 HydrophobicContact CG-CD1 4.29Å; Y20-L104 HydrophobicContact CG-CD2 4.05Å; Y20-L104 HydrophobicContact CG-CG 4.39Å; Y20-L104 PolarHBondContact OH-O 3.16Å
21	F	98	Very high	97	Very high	1 Å²	1	64.8 Å²	64.8	0%	0.004	32%	0.315	C	S	.	.	H	α-helix	trans	-74.4	-32	-177.9	-76.6	-62.4	0	0	0	113	I4 I6 F17 R18 D19 M24 N25 Y26 V28 I49 L107 I111	I4-F21 HydrophobicContact CD1-CB 4.03Å; I4-F21 HydrophobicContact CD1-CD1 3.45Å; I4-F21 VanDerWaalsContact CD1-CD1 3.45Å; I4-F21 HydrophobicContact CD1-CD2 4.33Å; I4-F21 HydrophobicContact CD1-CE1 3.93Å; I4-F21 HydrophobicContact CD1-CG 3.68Å; I6-F21 HydrophobicContact CD1-CD2 3.96Å; I6-F21 HydrophobicContact CD1-CE2 4.47Å; F17-F21 HydrophobicContact CB-CD2 4.36Å; F17-F21 HydrophobicContact CB-CE2 4.48Å; F17-F21 WeakPolarHBondContact O-CB 3.46Å; F17-F21 WeakPolarHBondContact O-CD2 3.47Å; F17-F21 PolarHBondContact O-N 3.37Å; R18-F21 PolarHBondContact O-N 3.31Å; D19-F21 PolarHBondContact O-N 3.23Å; F21-M24 CarbonylContact O-C 3.52Å; F21-M24 PolarHBondContact O-N 3.14Å; F21-N25 PolarHBondContact O-N 3.39Å; F21-Y26 HydrophobicContact CB-CD2 4.25Å; F21-Y26 AromaticContact CD1-CD2 3.83Å; F21-Y26 HydrophobicContact CD1-CD2 3.83Å; F21-Y26 HydrophobicContact CD1-CE2 4.07Å; F21-Y26 WeakPolarHBondContact O-CB 3.48Å; F21-Y26 WeakPolarHBondContact O-CD2 3.2Å; F21-Y26 PolarHBondContact O-N 3.11Å; F21-Y26 VanDerWaalsContact O-N 3.08Å; F21-V28 HydrophobicContact CB-CG2 3.58Å; F21-I49 HydrophobicContact CD2-CD1 4.33Å; F21-I49 HydrophobicContact CE2-CD1 3.52Å; F21-I49 HydrophobicContact CZ-CD1 3.9Å; F21-L107 HydrophobicContact CE2-CD2 4.04Å; F21-L107 HydrophobicContact CE2-CG 4.27Å; F21-L107 HydrophobicContact CZ-CD2 4.27Å; F21-L107 HydrophobicContact CZ-CG 3.99Å; F21-I111 HydrophobicContact CE1-CB 4.1Å; F21-I111 HydrophobicContact CE1-CG1 4.06Å; F21-I111 HydrophobicContact CE1-CG2 4.05Å; F21-I111 HydrophobicContact CZ-CB 4.28Å; F21-I111 HydrophobicContact CZ-CG1 3.74Å
22	Q	97.3	Very high	97	Very high	95 Å²	95	60.9 Å²	60.9	44%	0.444	30%	0.303	S	S	.	.	H	α-helix	trans	-64.3	-41.1	172	-75.7	-178.7	-11.6	0	0	111.6	R18 D19 M24 N25 V28	R18-Q22 HydrophobicContact CG-CG 4.29Å; R18-Q22 WeakPolarHBondContact O-CB 3.26Å; R18-Q22 VanDerWaalsContact O-CG 3.26Å; R18-Q22 WeakPolarHBondContact O-CG 3.39Å; R18-Q22 PolarHBondContact O-N 3.36Å; D19-Q22 PolarHBondContact O-N 3.29Å; Q22-M24 PolarHBondContact O-N 3.48Å; Q22-N25 WeakPolarHBondContact O-CA 3.42Å; Q22-N25 PolarHBondContact O-N 3.07Å; Q22-V28 HydrophobicContact CG-CB 4.23Å; Q22-V28 HydrophobicContact CG-CG2 3.84Å
23	L	97	Very high	97.1	Very high	149 Å²	149	56.8 Å²	56.8	78%	0.78	28%	0.281	S	S	*	.	H	α-helix	trans	-59.8	-33.3	173.1	-171.3	109.9	0	0	0	111.9	D19 Y20 N25	D19-L23 WeakPolarHBondContact O-CB 3.47Å; D19-L23 PolarHBondContact O-N 3.01Å; Y20-L23 WeakPolarHBondContact O-CB 3.49Å; Y20-L23 PolarHBondContact O-N 3.34Å; L23-N25 PolarHBondContact O-N 3.02Å
24	M	94.4	Very high	97.1	Very high	93 Å²	93	55.2 Å²	55.2	46%	0.458	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	13.4	174.7	-64.1	-64.4	-65.8	0	0	113.7	Y20 F21 Q22 Y26	Y20-M24 HydrophobicContact CE1-CG 4.44Å; Y20-M24 WeakPolarHBondContact O-CG 3.38Å; Y20-M24 PolarHBondContact O-N 2.79Å; F21-M24 CarbonylContact O-C 3.52Å; F21-M24 PolarHBondContact O-N 3.14Å; Q22-M24 PolarHBondContact O-N 3.48Å; M24-Y26 HydrophobicContact CB-CD2 3.66Å; M24-Y26 HydrophobicContact CB-CE2 3.65Å; M24-Y26 PolarHBondContact O-N 2.92Å
25	N	95.3	Very high	97	Very high	118 Å²	118	60.5 Å²	60.5	63%	0.631	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	34.8	175.7	-157.7	51.7	0	0	0	113.9	M1 F21 Q22 L23	M1-N25 HydrophobicContact CE-CB 4.43Å; M1-N25 WeakPolarHBondContact CE-O 3.38Å; M1-N25 WeakPolarHBondContact CE-OD1 3.37Å; M1-N25 VanDerWaalsContact CG-O 3.29Å; M1-N25 WeakPolarHBondContact CG-O 3.48Å; F21-N25 PolarHBondContact O-N 3.39Å; Q22-N25 WeakPolarHBondContact O-CA 3.42Å; Q22-N25 PolarHBondContact O-N 3.07Å; L23-N25 PolarHBondContact O-N 3.02Å
26	Y	97	Very high	97	Very high	38 Å²	38	58.9 Å²	58.9	15%	0.149	29%	0.285	C	S	.	.			trans	-96.8	149.5	168.5	-64	-81	0	0	0	111.5	K2 I4 F21 M24 L115	K2-Y26 HydrophobicContact CB-CD1 3.76Å; K2-Y26 HydrophobicContact CB-CE1 3.89Å; I4-Y26 HydrophobicContact CD1-CD1 3.66Å; I4-Y26 HydrophobicContact CD1-CD2 3.88Å; I4-Y26 HydrophobicContact CD1-CE1 4.2Å; I4-Y26 HydrophobicContact CD1-CE2 4.38Å; I4-Y26 HydrophobicContact CD1-CG 3.5Å; I4-Y26 VanDerWaalsContact CD1-CG 3.5Å; I4-Y26 HydrophobicContact CG1-CD1 3.96Å; I4-Y26 HydrophobicContact CG1-CG 4.11Å; F21-Y26 HydrophobicContact CB-CD2 4.25Å; F21-Y26 AromaticContact CD1-CD2 3.83Å; F21-Y26 HydrophobicContact CD1-CD2 3.83Å; F21-Y26 HydrophobicContact CD1-CE2 4.07Å; F21-Y26 WeakPolarHBondContact O-CB 3.48Å; F21-Y26 WeakPolarHBondContact O-CD2 3.2Å; F21-Y26 PolarHBondContact O-N 3.11Å; F21-Y26 VanDerWaalsContact O-N 3.08Å; M24-Y26 HydrophobicContact CB-CD2 3.66Å; M24-Y26 HydrophobicContact CB-CE2 3.65Å; M24-Y26 PolarHBondContact O-N 2.92Å; Y26-L115 HydrophobicContact CD1-CD1 4.42Å; Y26-L115 HydrophobicContact CE1-CD1 3.53Å
27	L	97.8	Very high	96.9	Very high	71 Å²	71	55.7 Å²	55.7	37%	0.372	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	114.9	166.1	-177	60.6	0	0	0	108.3	M1 K2 K3 I4 Y29	M1-L27 HydrophobicContact CG-CB 4.35Å; M1-L27 HydrophobicContact SD-CB 4.03Å; K2-L27 PolarHBondContact O-N 2.87Å; K3-L27 CarbonylContact C-O 3.58Å; K3-L27 VanDerWaalsContact CA-O 3.26Å; K3-L27 WeakPolarHBondContact CA-O 3.38Å; K3-L27 HydrophobicContact CG-CB 4.27Å; K3-L27 HydrophobicContact CG-CD2 4.18Å; I4-L27 PolarHBondContact N-O 2.73Å; L27-Y29 HydrophobicContact CD2-CE2 3.91Å; L27-Y29 WeakPolarHBondContact CD2-OH 3.17Å; L27-Y29 HydrophobicContact CG-CE2 3.88Å
28	V	98.2	Very high	96.7	Very high	14 Å²	14	58.6 Å²	58.6	9%	0.085	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.7	-172.4	-173.1	0	0	0	0	110.9	I4 I6 R18 F21 Q22 T30	I4-V28 WeakPolarHBondContact O-CA 3.34Å; I6-V28 HydrophobicContact CD1-CG1 3.68Å; I6-V28 HydrophobicContact CG1-CG1 3.99Å; R18-V28 HydrophobicContact CB-CG1 4.22Å; R18-V28 HydrophobicContact CG-CB 4.1Å; R18-V28 HydrophobicContact CG-CG1 3.98Å; F21-V28 HydrophobicContact CB-CG2 3.58Å; Q22-V28 HydrophobicContact CG-CB 4.23Å; Q22-V28 HydrophobicContact CG-CG2 3.84Å; V28-T30 HydrophobicContact CG1-CG2 4.19Å
29	Y	98.2	Very high	96.6	Very high	44 Å²	44	61.4 Å²	61.4	17%	0.173	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	145.8	167.3	-60.4	-85.4	0	0	0	108.5	K3 I4 L5 I6 L27 Y43	K3-Y29 HydrophobicContact CB-CE2 4.3Å; K3-Y29 HydrophobicContact CD-CE2 4.16Å; K3-Y29 HydrophobicContact CG-CE2 4.18Å; I4-Y29 PolarHBondContact O-N 3.4Å; L5-Y29 CarbonylContact C-O 3.48Å; L5-Y29 WeakPolarHBondContact CA-O 3.46Å; I6-Y29 PolarHBondContact N-O 2.83Å; L27-Y29 HydrophobicContact CD2-CE2 3.91Å; L27-Y29 WeakPolarHBondContact CD2-OH 3.17Å; L27-Y29 HydrophobicContact CG-CE2 3.88Å; Y29-Y43 HydrophobicContact CD1-CD1 4.49Å; Y29-Y43 AromaticContact CD1-CD2 3.59Å; Y29-Y43 HydrophobicContact CD1-CD2 3.59Å; Y29-Y43 HydrophobicContact CD1-CE2 4.06Å; Y29-Y43 AromaticContact CD1-CG 3.84Å; Y29-Y43 HydrophobicContact CD1-CG 3.84Å; Y29-Y43 AromaticContact CE1-CD1 3.65Å; Y29-Y43 HydrophobicContact CE1-CD1 3.65Å; Y29-Y43 AromaticContact CE1-CD2 3.57Å; Y29-Y43 HydrophobicContact CE1-CD2 3.57Å; Y29-Y43 HydrophobicContact CE1-CE1 4.07Å; Y29-Y43 HydrophobicContact CE1-CE2 4.02Å; Y29-Y43 AromaticContact CE1-CG 3.37Å; Y29-Y43 HydrophobicContact CE1-CG 3.37Å; Y29-Y43 HydrophobicContact CE2-CG 4.26Å; Y29-Y43 HydrophobicContact CG-CD2 4.27Å; Y29-Y43 HydrophobicContact CG-CG 4.45Å; Y29-Y43 AromaticContact CZ-CD1 3.83Å; Y29-Y43 AromaticContact CZ-CG 3.61Å
30	T	98	Very high	96.4	Very high	25 Å²	25	58.6 Å²	58.6	15%	0.153	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	154.6	180	59.5	0	0	0	0	111	I6 L14 R18 V28	I6-T30 HydrophobicContact CB-CG2 4.47Å; I6-T30 CarbonylContact O-C 3.56Å; I6-T30 WeakPolarHBondContact O-CA 3.35Å; L14-T30 HydrophobicContact CD2-CG2 4.38Å; R18-T30 HydrophobicContact CB-CG2 4.32Å; R18-T30 HydrophobicContact CG-CG2 4.48Å; R18-T30 PolarHBondContact NH2-OG1 3.04Å; V28-T30 HydrophobicContact CG1-CG2 4.19Å
31	A	97.7	Very high	95.9	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	140.7	173.1	0	0	0	0	0	109.8	I6 I7 D8 E36 G37 Q40	I6-A31 PolarHBondContact O-N 2.89Å; I7-A31 WeakPolarHBondContact CA-O 3.44Å; I7-A31 HydrophobicContact CG1-CB 4.28Å; I7-A31 HydrophobicContact CG2-CB 4.08Å; D8-A31 PolarHBondContact N-O 2.83Å; D8-A31 VanDerWaalsContact N-O 3.11Å; A31-E36 HydrophobicContact CB-CB 3.6Å; A31-G37 VanDerWaalsContact CB-N 3.28Å; A31-Q40 HydrophobicContact CB-CG 4.22Å
32	E	96.9	Very high	95.6	Very high	67 Å²	67	64.1 Å²	64.1	31%	0.313	31%	0.308	S	S	.	.	S	Bend	trans	-91.4	-2.3	-177.8	-64.3	-177.7	-160.8	0	0	113.4	D8 D9 R11 L14 E36	D8-E32 WeakPolarHBondContact O-CA 3.15Å; D9-E32 WeakPolarHBondContact CA-O 3.48Å; R11-E32 HydrophobicContact CG-CG 4.47Å; R11-E32 IonicContact CZ-OE1 2.9Å; R11-E32 IonicContact CZ-OE2 2.98Å; R11-E32 IonicContact NE-OE1 3Å; R11-E32 PolarHBondContact NE-OE1 3.49Å; R11-E32 VanDerWaalsContact NE-OE1 3.15Å; R11-E32 IonicContact NE-OE2 3.91Å; R11-E32 PolarHBondContact NE-OE2 2.88Å; R11-E32 IonicContact NH2-OE1 3.52Å; R11-E32 IonicContact NH2-OE2 3.31Å; R11-E32 PolarHBondContact NH2-OE2 3.33Å; L14-E32 HydrophobicContact CD1-CG 3.9Å; E32-E36 PolarHBondContact N-OE2 3.43Å
33	N	96.6	Very high	95.3	Very high	31 Å²	31	64 Å²	64	17%	0.166	30%	0.304	C	S	.	.	S	Bend	trans	-163.1	170.5	178.3	57.3	71.5	0	0	0	110.9	Y35 E36 G37	N33-Y35 VanDerWaalsContact C-N 3.33Å; N33-Y35 PolarHBondContact O-N 3.13Å; N33-Y35 WeakPolarHBondContact OD1-CB 3.26Å; N33-Y35 PolarHBondContact OD1-N 2.93Å; N33-Y35 VanDerWaalsContact OD1-N 3.09Å; N33-E36 PolarHBondContact O-N 2.85Å; N33-E36 PolarHBondContact OD1-N 3Å; N33-G37 PolarHBondContact O-N 2.82Å
34	G	94.5	Very high	95	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-58.9	-36.6	-179.2	0	0	0	0	0	114.7	G37 L38	G34-G37 WeakPolarHBondContact O-CA 3.38Å; G34-G37 PolarHBondContact O-N 3.39Å; G34-L38 WeakPolarHBondContact O-CG 3.48Å; G34-L38 PolarHBondContact O-N 3.45Å
35	Y	95.5	Very high	95	Very high	116 Å²	116	60.3 Å²	60.3	46%	0.455	28%	0.282	S	S	.	.	H	α-helix	trans	-70.8	-38.8	179.8	-62.5	-72.6	0	0	0	113.2	N33 G37 K39 E56 M57	N33-Y35 VanDerWaalsContact C-N 3.33Å; N33-Y35 PolarHBondContact O-N 3.13Å; N33-Y35 WeakPolarHBondContact OD1-CB 3.26Å; N33-Y35 PolarHBondContact OD1-N 2.93Å; N33-Y35 VanDerWaalsContact OD1-N 3.09Å; Y35-G37 VanDerWaalsContact C-N 3.31Å; Y35-K39 PolarHBondContact O-N 3.47Å; Y35-E56 WeakPolarHBondContact CD2-OE2 3.33Å; Y35-E56 HydrophobicContact CE2-CB 3.96Å; Y35-E56 WeakPolarHBondContact CE2-OE2 3.4Å; Y35-M57 HydrophobicContact CD1-CE 4.14Å; Y35-M57 HydrophobicContact CE1-CE 3.74Å
36	E	96.5	Very high	94.9	Very high	72 Å²	72	56.7 Å²	56.7	34%	0.336	26%	0.263	S	S	.	.	H	α-helix	trans	-64.2	-41.3	169.1	-73.6	-173.5	179.5	0	0	110.7	A31 E32 N33 L38 K39 Q40	A31-E36 HydrophobicContact CB-CB 3.6Å; E32-E36 PolarHBondContact N-OE2 3.43Å; N33-E36 PolarHBondContact O-N 2.85Å; N33-E36 PolarHBondContact OD1-N 3Å; E36-L38 VanDerWaalsContact C-N 3.33Å; E36-L38 PolarHBondContact O-N 3.49Å; E36-K39 WeakPolarHBondContact O-CB 3.49Å; E36-K39 PolarHBondContact O-N 3.33Å; E36-Q40 WeakPolarHBondContact O-CG 3.29Å; E36-Q40 PolarHBondContact O-N 3.29Å
37	G	95.2	Very high	94.9	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-52.4	-49.3	174.9	0	0	0	0	0	112.4	A31 N33 G34 Y35 K39 Q40 L41	A31-G37 VanDerWaalsContact CB-N 3.28Å; N33-G37 PolarHBondContact O-N 2.82Å; G34-G37 WeakPolarHBondContact O-CA 3.38Å; G34-G37 PolarHBondContact O-N 3.39Å; Y35-G37 VanDerWaalsContact C-N 3.31Å; G37-K39 VanDerWaalsContact C-N 3.3Å; G37-K39 PolarHBondContact O-N 2.94Å; G37-Q40 PolarHBondContact O-N 3.04Å; G37-L41 PolarHBondContact O-N 3.38Å
38	L	93.3	Very high	94.9	Very high	65 Å²	65	51.5 Å²	51.5	34%	0.34	24%	0.238	S	C	.	.	H	α-helix	trans	-56	-42	175.2	-72.5	171.9	0	0	0	112.6	G34 E36 Q40 L41 M57 L62 I66	G34-L38 WeakPolarHBondContact O-CG 3.48Å; G34-L38 PolarHBondContact O-N 3.45Å; E36-L38 VanDerWaalsContact C-N 3.33Å; E36-L38 PolarHBondContact O-N 3.49Å; L38-Q40 VanDerWaalsContact C-N 3.32Å; L38-Q40 PolarHBondContact O-N 2.99Å; L38-L41 HydrophobicContact CD2-CD1 4.17Å; L38-L41 WeakPolarHBondContact O-CB 3.48Å; L38-L41 PolarHBondContact O-N 2.97Å; L38-M57 HydrophobicContact CD1-CE 4.25Å; L38-L62 HydrophobicContact CD1-CD1 4.45Å; L38-L62 HydrophobicContact CD2-CD1 3.63Å; L38-L62 HydrophobicContact CG-CD1 3.7Å; L38-I66 HydrophobicContact CD2-CG2 3.37Å
39	K	94.6	Very high	94.9	Very high	137 Å²	137	50.9 Å²	50.9	60%	0.596	23%	0.234	S	C	*	.	H	α-helix	trans	-66.4	-35.6	177.4	-65.3	171.9	-172.6	168.9	0	111.7	Y35 E36 G37 L41 Q42	Y35-K39 PolarHBondContact O-N 3.47Å; E36-K39 WeakPolarHBondContact O-CB 3.49Å; E36-K39 PolarHBondContact O-N 3.33Å; G37-K39 VanDerWaalsContact C-N 3.3Å; G37-K39 PolarHBondContact O-N 2.94Å; K39-L41 VanDerWaalsContact C-N 3.25Å; K39-L41 PolarHBondContact O-N 2.76Å; K39-Q42 VanDerWaalsContact O-CG 3.26Å; K39-Q42 WeakPolarHBondContact O-CG 3.45Å; K39-Q42 PolarHBondContact O-NE2 2.94Å
40	Q	94.1	Very high	94.9	Very high	45 Å²	45	48.8 Å²	48.8	21%	0.21	23%	0.226	C	C	.	.	H	α-helix	trans	-72.1	-17.3	-179.3	-62.2	-60.6	-26.6	0	0	113	L5 A31 E36 G37 L38 Q42 Y43	L5-Q40 HydrophobicContact CD1-CB 3.47Å; L5-Q40 VanDerWaalsContact CD1-CB 3.47Å; L5-Q40 HydrophobicContact CD1-CG 3.92Å; L5-Q40 HydrophobicContact CD2-CB 3.87Å; L5-Q40 HydrophobicContact CG-CB 4.33Å; A31-Q40 HydrophobicContact CB-CG 4.22Å; E36-Q40 WeakPolarHBondContact O-CG 3.29Å; E36-Q40 PolarHBondContact O-N 3.29Å; G37-Q40 PolarHBondContact O-N 3.04Å; L38-Q40 VanDerWaalsContact C-N 3.32Å; L38-Q40 PolarHBondContact O-N 2.99Å; Q40-Q42 PolarHBondContact O-N 3.29Å; Q40-Q42 VanDerWaalsContact O-N 3.14Å; Q40-Y43 WeakPolarHBondContact O-CB 3.3Å; Q40-Y43 WeakPolarHBondContact O-CD2 3.33Å; Q40-Y43 PolarHBondContact O-N 2.87Å
41	L	88.6	Confident	94.8	Very high	27 Å²	27	47.8 Å²	47.8	14%	0.141	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-59.5	-25.2	176.4	-65.7	179.2	0	0	0	113.7	L5 G37 L38 K39 Y43 Q44 P45 I48 I66 I70	L5-L41 HydrophobicContact CD2-CD2 4.01Å; G37-L41 PolarHBondContact O-N 3.38Å; L38-L41 HydrophobicContact CD2-CD1 4.17Å; L38-L41 WeakPolarHBondContact O-CB 3.48Å; L38-L41 PolarHBondContact O-N 2.97Å; K39-L41 VanDerWaalsContact C-N 3.25Å; K39-L41 PolarHBondContact O-N 2.76Å; L41-Y43 PolarHBondContact O-N 3.32Å; L41-Y43 VanDerWaalsContact O-N 3.09Å; L41-Q44 PolarHBondContact O-N 2.8Å; L41-P45 HydrophobicContact CD2-CG 4.35Å; L41-I48 HydrophobicContact CD2-CD1 3.72Å; L41-I66 HydrophobicContact CD1-CB 4.04Å; L41-I66 HydrophobicContact CD1-CD1 4.34Å; L41-I66 HydrophobicContact CD1-CG2 3.67Å; L41-I66 HydrophobicContact CD2-CD1 4.34Å; L41-I70 HydrophobicContact CD2-CG2 4.35Å
42	Q	90.2	Very high	94.7	Very high	138 Å²	138	47.9 Å²	47.9	65%	0.645	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-57.5	-24.7	175.3	76.5	-173.5	-67.4	0	0	112.9	K39 Q40 Q44	K39-Q42 VanDerWaalsContact O-CG 3.26Å; K39-Q42 WeakPolarHBondContact O-CG 3.45Å; K39-Q42 PolarHBondContact O-NE2 2.94Å; Q40-Q42 PolarHBondContact O-N 3.29Å; Q40-Q42 VanDerWaalsContact O-N 3.14Å; Q42-Q44 PolarHBondContact O-N 3.03Å
43	Y	91.9	Very high	94.5	Very high	93 Å²	93	47.9 Å²	47.9	37%	0.365	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-79.9	-2.7	177.9	-62.3	-66.7	0	0	0	113.5	K3 Y29 Q40 L41	K3-Y43 VanDerWaalsContact CD-O 3.25Å; K3-Y43 WeakPolarHBondContact CD-O 3.48Å; K3-Y43 PolarHBondContact NZ-O 2.92Å; Y29-Y43 HydrophobicContact CD1-CD1 4.49Å; Y29-Y43 AromaticContact CD1-CD2 3.59Å; Y29-Y43 HydrophobicContact CD1-CD2 3.59Å; Y29-Y43 HydrophobicContact CD1-CE2 4.06Å; Y29-Y43 AromaticContact CD1-CG 3.84Å; Y29-Y43 HydrophobicContact CD1-CG 3.84Å; Y29-Y43 AromaticContact CE1-CD1 3.65Å; Y29-Y43 HydrophobicContact CE1-CD1 3.65Å; Y29-Y43 AromaticContact CE1-CD2 3.57Å; Y29-Y43 HydrophobicContact CE1-CD2 3.57Å; Y29-Y43 HydrophobicContact CE1-CE1 4.07Å; Y29-Y43 HydrophobicContact CE1-CE2 4.02Å; Y29-Y43 AromaticContact CE1-CG 3.37Å; Y29-Y43 HydrophobicContact CE1-CG 3.37Å; Y29-Y43 HydrophobicContact CE2-CG 4.26Å; Y29-Y43 HydrophobicContact CG-CD2 4.27Å; Y29-Y43 HydrophobicContact CG-CG 4.45Å; Y29-Y43 AromaticContact CZ-CD1 3.83Å; Y29-Y43 AromaticContact CZ-CG 3.61Å; Q40-Y43 WeakPolarHBondContact O-CB 3.3Å; Q40-Y43 WeakPolarHBondContact O-CD2 3.33Å; Q40-Y43 PolarHBondContact O-N 2.87Å; L41-Y43 PolarHBondContact O-N 3.32Å; L41-Y43 VanDerWaalsContact O-N 3.09Å
44	Q	91	Very high	94.4	Very high	151 Å²	151	47.1 Å²	47.1	71%	0.706	22%	0.218	S	C	*	.			trans	54.1	70.1	177	-58.9	176.6	10.3	0	0	111.8	K3 L41 Q42	K3-Q44 WeakPolarHBondContact CD-O 3.42Å; L41-Q44 PolarHBondContact O-N 2.8Å; Q42-Q44 PolarHBondContact O-N 3.03Å
45	P	94.3	Very high	94.2	Very high	13 Å²	13	50.5 Å²	50.5	8%	0.084	24%	0.24	C	C	.	.			trans	-62.4	146.6	178.1	26.9	-33.9	0	0	0	111.8	L5 L41 I47 I48 C72	L5-P45 HydrophobicContact CB-CB 3.76Å; L5-P45 HydrophobicContact CB-CG 4.01Å; L5-P45 HydrophobicContact CD2-CG 4.24Å; L41-P45 HydrophobicContact CD2-CG 4.35Å; P45-I47 VanDerWaalsContact C-N 3.34Å; P45-I48 HydrophobicContact CB-CG1 4.31Å; P45-I48 HydrophobicContact CG-CD1 4.1Å; P45-I48 HydrophobicContact CG-CG1 3.85Å; P45-C72 WeakPolarHBondContact O-CB 3.36Å
46	D	92.9	Very high	94	Very high	43 Å²	43	52.2 Å²	52.2	23%	0.23	25%	0.252	C	S	.	.	S	Bend	trans	-81.2	-18.7	171.9	-70.1	-90.2	0	0	0	111.9	K2 K3 C72 P73 L115	K2-D46 VanDerWaalsContact CA-OD2 3.31Å; K2-D46 WeakPolarHBondContact CA-OD2 3.25Å; K2-D46 HydrophobicContact CD-CB 3.88Å; K2-D46 WeakPolarHBondContact CD-OD1 3.48Å; K2-D46 VanDerWaalsContact CD-OD2 3.32Å; K2-D46 WeakPolarHBondContact CD-OD2 3.23Å; K2-D46 IonicContact NZ-OD1 2.74Å; K2-D46 PolarHBondContact NZ-OD1 2.78Å; K3-D46 PolarHBondContact N-OD2 2.77Å; K3-D46 WeakPolarHBondContact O-CB 3.38Å; K3-D46 PolarHBondContact O-N 3.04Å; D46-C72 WeakPolarHBondContact O-CB 3.24Å; D46-P73 WeakPolarHBondContact O-CD 3.26Å; D46-L115 HydrophobicContact CB-CD2 3.68Å
47	I	96.8	Very high	93.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	146.9	176	-172.3	155.8	0	0	0	110.2	K3 I4 L5 P45 P73 V75 I111 H114 L115	K3-I47 PolarHBondContact O-N 3.49Å; I4-I47 HydrophobicContact CB-CG2 4.31Å; I4-I47 HydrophobicContact CD1-CG2 4.5Å; I4-I47 HydrophobicContact CG1-CG2 3.74Å; I4-I47 HydrophobicContact CG2-CG2 4.28Å; L5-I47 PolarHBondContact N-O 3.15Å; P45-I47 VanDerWaalsContact C-N 3.34Å; I47-P73 HydrophobicContact CD1-CB 4.11Å; I47-P73 HydrophobicContact CG1-CB 4.18Å; I47-V75 HydrophobicContact CD1-CG2 4.13Å; I47-I111 HydrophobicContact CD1-CB 4.49Å; I47-I111 HydrophobicContact CD1-CD1 3.51Å; I47-I111 HydrophobicContact CD1-CG2 4.26Å; I47-I111 HydrophobicContact CG1-CD1 4.01Å; I47-I111 HydrophobicContact CG2-CG2 4.1Å; I47-H114 HydrophobicContact CD1-CB 3.66Å; I47-L115 HydrophobicContact CB-CD2 4.05Å; I47-L115 HydrophobicContact CG2-CD1 4.3Å; I47-L115 HydrophobicContact CG2-CD2 4.06Å; I47-L115 HydrophobicContact CG2-CG 4.3Å
48	I	98.1	Very high	93.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.9	177.1	-55.7	-178.4	0	0	0	109.4	L5 I7 L41 P45 L50 I66 I70 P73 I74 V75	L5-I48 HydrophobicContact CB-CG1 4.31Å; L5-I48 HydrophobicContact CD2-CD1 4.4Å; L5-I48 HydrophobicContact CD2-CG1 4.47Å; L5-I48 CarbonylContact O-C 3.46Å; L5-I48 WeakPolarHBondContact O-CA 3.48Å; I7-I48 HydrophobicContact CD1-CG2 4.02Å; I7-I48 HydrophobicContact CG1-CG2 4.42Å; L41-I48 HydrophobicContact CD2-CD1 3.72Å; P45-I48 HydrophobicContact CB-CG1 4.31Å; P45-I48 HydrophobicContact CG-CD1 4.1Å; P45-I48 HydrophobicContact CG-CG1 3.85Å; I48-L50 HydrophobicContact CG2-CB 4.23Å; I48-I66 HydrophobicContact CD1-CD1 4.01Å; I48-I70 HydrophobicContact CD1-CD1 3.53Å; I48-P73 PolarHBondContact N-O 3.26Å; I48-I74 HydrophobicContact CB-CG1 4.28Å; I48-I74 WeakPolarHBondContact O-CA 3.04Å; I48-V75 PolarHBondContact O-N 2.94Å
49	I	98.3	Very high	93.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120.8	167.2	-52.7	-178.1	0	0	0	106.2	I4 L5 I6 I7 F21 V75 L77 L107 I111	I4-I49 HydrophobicContact CG2-CD1 3.94Å; I4-I49 HydrophobicContact CG2-CG1 4.12Å; L5-I49 PolarHBondContact O-N 2.93Å; I6-I49 WeakPolarHBondContact CA-O 3.38Å; I6-I49 HydrophobicContact CD1-CD1 4.39Å; I6-I49 HydrophobicContact CG1-CB 4.44Å; I6-I49 HydrophobicContact CG1-CD1 4.21Å; I6-I49 HydrophobicContact CG2-CB 4.16Å; I6-I49 HydrophobicContact CG2-CG2 4.31Å; I7-I49 PolarHBondContact N-O 2.81Å; F21-I49 HydrophobicContact CD2-CD1 4.33Å; F21-I49 HydrophobicContact CE2-CD1 3.52Å; F21-I49 HydrophobicContact CZ-CD1 3.9Å; I49-V75 WeakPolarHBondContact CA-O 3.48Å; I49-L77 HydrophobicContact CG2-CD1 3.49Å; I49-L77 VanDerWaalsContact CG2-CD1 3.49Å; I49-L77 HydrophobicContact CG2-CD2 4.28Å; I49-L77 HydrophobicContact CG2-CG 3.68Å; I49-L107 HydrophobicContact CD1-CD1 4.33Å; I49-L107 HydrophobicContact CD1-CD2 4.24Å; I49-L107 HydrophobicContact CD1-CG 4.39Å; I49-I111 HydrophobicContact CD1-CD1 3.8Å; I49-I111 HydrophobicContact CD1-CG1 3.99Å; I49-I111 HydrophobicContact CG1-CD1 3.7Å; I49-I111 HydrophobicContact CG1-CG1 4.44Å
50	L	97.7	Very high	93.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	114.2	-167.8	178.8	50.7	0	0	0	110.6	I7 I48 M54 G59 L62 C63 I74 V75 F76 L77	I7-L50 HydrophobicContact CB-CD1 3.85Å; I7-L50 HydrophobicContact CD1-CD1 4.16Å; I7-L50 HydrophobicContact CG2-CD1 4.11Å; I48-L50 HydrophobicContact CG2-CB 4.23Å; L50-M54 HydrophobicContact CD1-CE 3.59Å; L50-G59 VanDerWaalsContact CD2-O 3.26Å; L50-G59 WeakPolarHBondContact CD2-O 3.29Å; L50-L62 HydrophobicContact CD1-CD2 3.73Å; L50-L62 HydrophobicContact CD2-CD2 4.28Å; L50-C63 HydrophobicContact CD2-CB 4.19Å; L50-I74 HydrophobicContact CB-CG2 4.16Å; L50-I74 HydrophobicContact CD2-CG2 4.1Å; L50-V75 PolarHBondContact N-O 2.71Å; L50-F76 HydrophobicContact CB-CD1 4.23Å; L50-F76 HydrophobicContact CB-CE1 4.47Å; L50-F76 HydrophobicContact CD2-CD1 4.27Å; L50-F76 HydrophobicContact CD2-CE1 3.7Å; L50-F76 HydrophobicContact CG-CD1 4.12Å; L50-F76 HydrophobicContact CG-CE1 4.02Å; L50-F76 CarbonylContact O-C 3.56Å; L50-F76 VanDerWaalsContact O-CA 3.29Å; L50-F76 WeakPolarHBondContact O-CA 3.25Å; L50-L77 PolarHBondContact O-N 2.92Å
51	D	96.5	Very high	93.9	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	141.6	167.4	-172.3	64.4	0	0	0	111.1	I7 D8 N53 M54 G59 L77 K100	I7-D51 WeakPolarHBondContact O-CB 3.43Å; I7-D51 PolarHBondContact O-N 2.89Å; D8-D51 HydrophobicContact CB-CB 4.05Å; D8-D51 WeakPolarHBondContact OD2-CB 3.45Å; D51-N53 WeakPolarHBondContact OD2-CA 3.44Å; D51-N53 PolarHBondContact OD2-N 2.92Å; D51-M54 HydrophobicContact CB-CG 3.99Å; D51-M54 HydrophobicContact CB-SD 4.32Å; D51-M54 WeakPolarHBondContact O-CE 3.25Å; D51-G59 VanDerWaalsContact O-CA 3.23Å; D51-G59 WeakPolarHBondContact O-CA 3.29Å; D51-L77 CarbonylContact C-O 3.58Å; D51-L77 WeakPolarHBondContact CA-O 3.28Å; D51-K100 VanDerWaalsContact OD1-CE 3.28Å; D51-K100 WeakPolarHBondContact OD1-CE 3.29Å; D51-K100 IonicContact OD1-NZ 3.8Å; D51-K100 PolarHBondContact OD1-NZ 3.09Å
52	V	95.2	Very high	94.2	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.018	22%	0.221	C	C	.	.	S	Bend	trans	-85	-39.3	178.4	173.9	0	0	0	0	111.5	M54 D58 G59 F60 F76 L77 Y97	V52-M54 PolarHBondContact O-N 3.4Å; V52-D58 WeakPolarHBondContact O-CB 3.35Å; V52-G59 PolarHBondContact O-N 3.07Å; V52-F60 HydrophobicContact CG1-CD1 4.33Å; V52-F60 HydrophobicContact CG1-CD2 4.05Å; V52-F60 HydrophobicContact CG1-CE1 4.02Å; V52-F60 HydrophobicContact CG1-CE2 3.75Å; V52-F60 HydrophobicContact CG1-CG 4.35Å; V52-F60 HydrophobicContact CG1-CZ 3.73Å; V52-F60 HydrophobicContact CG2-CD1 4.23Å; V52-F60 HydrophobicContact CG2-CE1 3.67Å; V52-F60 HydrophobicContact CG2-CZ 4.02Å; V52-F76 HydrophobicContact CG2-CB 3.99Å; V52-F76 HydrophobicContact CG2-CD1 3.63Å; V52-F76 HydrophobicContact CG2-CE1 4.4Å; V52-F76 HydrophobicContact CG2-CG 4.07Å; V52-L77 WeakPolarHBondContact CG2-O 3.41Å; V52-L77 PolarHBondContact N-O 2.83Å; V52-Y97 HydrophobicContact CG2-CE2 4.29Å
53	N	92.6	Very high	94.4	Very high	66 Å²	66	38.6 Å²	38.6	35%	0.353	19%	0.19	S	C	.	.	S	Bend	trans	-98	64.2	-170	-55.3	-71.6	0	0	0	111.4	D51	D51-N53 WeakPolarHBondContact OD2-CA 3.44Å; D51-N53 PolarHBondContact OD2-N 2.92Å
54	M	94.2	Very high	94.5	Very high	15 Å²	15	37 Å²	37	7%	0.074	20%	0.196	C	C	.	.			trans	-99.8	150.8	176	-64.7	-175.3	-61.6	0	0	111.9	I7 L50 D51 V52	I7-M54 HydrophobicContact CG2-CE 3.93Å; I7-M54 HydrophobicContact CG2-SD 3.65Å; L50-M54 HydrophobicContact CD1-CE 3.59Å; D51-M54 HydrophobicContact CB-CG 3.99Å; D51-M54 HydrophobicContact CB-SD 4.32Å; D51-M54 WeakPolarHBondContact O-CE 3.25Å; V52-M54 PolarHBondContact O-N 3.4Å
55	P	91.3	Very high	94.5	Very high	71 Å²	71	32.6 Å²	32.6	46%	0.461	19%	0.186	S	C	.	.	S	Bend	trans	-70.2	158.2	171.6	30.3	-34.4	0	0	0	111.7	D9 M57	D9-P55 HydrophobicContact CB-CG 4.46Å; P55-M57 PolarHBondContact O-N 2.76Å
56	E	90.7	Very high	94.3	Very high	152 Å²	152	32 Å²	32	71%	0.71	18%	0.182	S	C	*	.	S	Bend	trans	66.8	-45.6	176.3	-48.7	-178.9	166.9	0	0	116.5	Y35	Y35-E56 WeakPolarHBondContact CD2-OE2 3.33Å; Y35-E56 HydrophobicContact CE2-CB 3.96Å; Y35-E56 WeakPolarHBondContact CE2-OE2 3.4Å
57	M	93.1	Very high	94	Very high	28 Å²	28	32.2 Å²	32.2	14%	0.138	18%	0.18	C	C	.	.	S	Bend	trans	-142.7	116.2	175.4	179	-175.3	-62.4	0	0	108	Y35 L38 P55 E61 L62	Y35-M57 HydrophobicContact CD1-CE 4.14Å; Y35-M57 HydrophobicContact CE1-CE 3.74Å; L38-M57 HydrophobicContact CD1-CE 4.25Å; P55-M57 PolarHBondContact O-N 2.76Å; M57-E61 WeakPolarHBondContact CA-OE2 3.5Å; M57-E61 HydrophobicContact CG-CB 4.04Å; M57-L62 HydrophobicContact CG-CB 4.24Å; M57-L62 HydrophobicContact SD-CB 3.82Å; M57-L62 HydrophobicContact SD-CD1 3.76Å; M57-L62 HydrophobicContact SD-CG 4.35Å
58	D	93.6	Very high	93.3	Very high	54 Å²	54	41.7 Å²	41.7	29%	0.289	22%	0.224	S	C	.	.			trans	-74.8	163.1	-179.6	81.4	39	0	0	0	111.5	V52 F60 E61 L62	V52-D58 WeakPolarHBondContact O-CB 3.35Å; D58-F60 PolarHBondContact O-N 2.81Å; D58-F60 VanDerWaalsContact OD1-CA 3.3Å; D58-F60 WeakPolarHBondContact OD1-CA 3.26Å; D58-F60 VanDerWaalsContact OD1-CB 3.29Å; D58-F60 WeakPolarHBondContact OD1-CB 3.45Å; D58-F60 PolarHBondContact OD1-N 2.87Å; D58-E61 PolarHBondContact N-OE2 3.49Å; D58-E61 PolarHBondContact O-N 2.85Å; D58-E61 WeakPolarHBondContact OD1-CG 3.34Å; D58-E61 PolarHBondContact OD1-N 3.44Å; D58-L62 PolarHBondContact O-N 3.39Å
59	G	95	Very high	92.5	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.6	-28.8	-177.8	0	0	0	0	0	113.7	L50 D51 V52 C63 F76	L50-G59 VanDerWaalsContact CD2-O 3.26Å; L50-G59 WeakPolarHBondContact CD2-O 3.29Å; D51-G59 VanDerWaalsContact O-CA 3.23Å; D51-G59 WeakPolarHBondContact O-CA 3.29Å; V52-G59 PolarHBondContact O-N 3.07Å; G59-C63 VanDerWaalsContact O-CB 3.25Å; G59-C63 WeakPolarHBondContact O-CB 3.38Å; G59-C63 PolarHBondContact O-N 3.17Å; G59-F76 WeakPolarHBondContact O-CE1 3.32Å
60	F	94.6	Very high	91.8	Very high	9 Å²	9	50.2 Å²	50.2	4%	0.039	26%	0.264	C	S	.	.	H	α-helix	trans	-73.6	-42.6	177.3	-65.3	-28.9	0	0	0	111.6	V52 D58 C63 A64 F76 S85 Q88 G89 I92 Y97	V52-F60 HydrophobicContact CG1-CD1 4.33Å; V52-F60 HydrophobicContact CG1-CD2 4.05Å; V52-F60 HydrophobicContact CG1-CE1 4.02Å; V52-F60 HydrophobicContact CG1-CE2 3.75Å; V52-F60 HydrophobicContact CG1-CG 4.35Å; V52-F60 HydrophobicContact CG1-CZ 3.73Å; V52-F60 HydrophobicContact CG2-CD1 4.23Å; V52-F60 HydrophobicContact CG2-CE1 3.67Å; V52-F60 HydrophobicContact CG2-CZ 4.02Å; D58-F60 PolarHBondContact O-N 2.81Å; D58-F60 VanDerWaalsContact OD1-CA 3.3Å; D58-F60 WeakPolarHBondContact OD1-CA 3.26Å; D58-F60 VanDerWaalsContact OD1-CB 3.29Å; D58-F60 WeakPolarHBondContact OD1-CB 3.45Å; D58-F60 PolarHBondContact OD1-N 2.87Å; F60-C63 PolarHBondContact O-N 2.79Å; F60-A64 WeakPolarHBondContact O-CB 3.37Å; F60-A64 PolarHBondContact O-N 3.2Å; F60-F76 HydrophobicContact CD1-CD1 4.22Å; F60-F76 AromaticContact CD1-CE1 3.69Å; F60-F76 HydrophobicContact CD1-CE1 3.69Å; F60-F76 HydrophobicContact CD1-CE2 4.18Å; F60-F76 AromaticContact CD1-CZ 3.65Å; F60-F76 HydrophobicContact CD1-CZ 3.65Å; F60-F76 HydrophobicContact CE1-CD1 4.16Å; F60-F76 HydrophobicContact CE1-CD2 4.28Å; F60-F76 HydrophobicContact CE1-CE1 4.06Å; F60-F76 HydrophobicContact CE1-CE2 4.17Å; F60-F76 HydrophobicContact CE1-CG 4.25Å; F60-F76 HydrophobicContact CE1-CZ 4.05Å; F60-S85 WeakPolarHBondContact CZ-O 3.38Å; F60-Q88 HydrophobicContact CD2-CG 4.2Å; F60-Q88 HydrophobicContact CE2-CB 4.48Å; F60-Q88 HydrophobicContact CE2-CG 4.2Å; F60-G89 VanDerWaalsContact CE1-CA 3.45Å; F60-I92 HydrophobicContact CB-CD1 3.75Å; F60-I92 HydrophobicContact CD1-CD1 4.48Å; F60-I92 HydrophobicContact CG-CD1 4.13Å; F60-Y97 HydrophobicContact CE1-CE2 4.21Å; F60-Y97 AromaticContact CZ-CE2 3.99Å; F60-Y97 HydrophobicContact CZ-CE2 3.99Å
61	E	95.1	Very high	91.1	Very high	107 Å²	107	56.8 Å²	56.8	50%	0.5	30%	0.304	S	S	.	.	H	α-helix	trans	-58.9	-47.2	172.6	-70.2	178.8	143.5	0	0	110.8	M57 D58 A64 A65	M57-E61 WeakPolarHBondContact CA-OE2 3.5Å; M57-E61 HydrophobicContact CG-CB 4.04Å; D58-E61 PolarHBondContact N-OE2 3.49Å; D58-E61 PolarHBondContact O-N 2.85Å; D58-E61 WeakPolarHBondContact OD1-CG 3.34Å; D58-E61 PolarHBondContact OD1-N 3.44Å; E61-A64 PolarHBondContact O-N 2.95Å; E61-A65 WeakPolarHBondContact O-CB 3.25Å; E61-A65 PolarHBondContact O-N 3.08Å
62	L	96.1	Very high	90.7	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-60.8	-47.9	176.2	179.1	61.5	0	0	0	111.2	I7 L38 L50 M57 D58 A64 A65 I66	I7-L62 HydrophobicContact CD1-CD2 3.66Å; I7-L62 HydrophobicContact CG2-CD2 4.4Å; L38-L62 HydrophobicContact CD1-CD1 4.45Å; L38-L62 HydrophobicContact CD2-CD1 3.63Å; L38-L62 HydrophobicContact CG-CD1 3.7Å; L50-L62 HydrophobicContact CD1-CD2 3.73Å; L50-L62 HydrophobicContact CD2-CD2 4.28Å; M57-L62 HydrophobicContact CG-CB 4.24Å; M57-L62 HydrophobicContact SD-CB 3.82Å; M57-L62 HydrophobicContact SD-CD1 3.76Å; M57-L62 HydrophobicContact SD-CG 4.35Å; D58-L62 PolarHBondContact O-N 3.39Å; L62-A64 VanDerWaalsContact C-N 3.35Å; L62-A64 PolarHBondContact O-N 3.28Å; L62-A65 PolarHBondContact O-N 3.47Å; L62-I66 HydrophobicContact CD1-CG2 3.83Å; L62-I66 HydrophobicContact CG-CD1 4.39Å; L62-I66 WeakPolarHBondContact O-CG1 3.02Å; L62-I66 WeakPolarHBondContact O-CG2 3.44Å; L62-I66 PolarHBondContact O-N 3.11Å; L62-I66 VanDerWaalsContact O-N 3.11Å
63	C	94.3	Very high	90.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-56.9	-48.9	178.6	-176.2	0	0	0	0	111.1	L50 G59 F60 A65 I66 R67 I74 F76 I92	L50-C63 HydrophobicContact CD2-CB 4.19Å; G59-C63 VanDerWaalsContact O-CB 3.25Å; G59-C63 WeakPolarHBondContact O-CB 3.38Å; G59-C63 PolarHBondContact O-N 3.17Å; F60-C63 PolarHBondContact O-N 2.79Å; C63-A65 VanDerWaalsContact C-N 3.29Å; C63-A65 PolarHBondContact O-N 3.2Å; C63-I66 PolarHBondContact O-N 3.33Å; C63-R67 VanDerWaalsContact O-CB 3.24Å; C63-R67 WeakPolarHBondContact O-CB 3.43Å; C63-R67 PolarHBondContact O-N 3.33Å; C63-I74 HydrophobicContact CB-CD1 4.49Å; C63-I74 VanDerWaalsContact SG-CD1 3.53Å; C63-F76 HydrophobicContact CB-CE1 3.99Å; C63-F76 HydrophobicContact CB-CZ 3.52Å; C63-I92 HydrophobicContact CB-CG2 4.02Å
64	A	92.9	Very high	90.8	Very high	60 Å²	60	54 Å²	54	50%	0.496	29%	0.29	S	S	.	.	H	α-helix	trans	-58.4	-40.2	177.5	0	0	0	0	0	112.3	F60 E61 L62 I66 I92	F60-A64 WeakPolarHBondContact O-CB 3.37Å; F60-A64 PolarHBondContact O-N 3.2Å; E61-A64 PolarHBondContact O-N 2.95Å; L62-A64 VanDerWaalsContact C-N 3.35Å; L62-A64 PolarHBondContact O-N 3.28Å; A64-I66 PolarHBondContact O-N 3.17Å; A64-I92 HydrophobicContact CB-CG2 3.85Å
65	A	91.6	Very high	91	Very high	59 Å²	59	53.2 Å²	53.2	49%	0.488	29%	0.287	S	S	.	.	H	α-helix	trans	-68.3	-30.6	-179.9	0	0	0	0	0	113.7	E61 L62 C63	E61-A65 WeakPolarHBondContact O-CB 3.25Å; E61-A65 PolarHBondContact O-N 3.08Å; L62-A65 PolarHBondContact O-N 3.47Å; C63-A65 VanDerWaalsContact C-N 3.29Å; C63-A65 PolarHBondContact O-N 3.2Å
66	I	89.2	Confident	91.2	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-105.8	-18.8	-171.7	72.7	177.3	0	0	0	113.4	L38 L41 I48 L62 C63 A64 E68 Q69 I70 I74	L38-I66 HydrophobicContact CD2-CG2 3.37Å; L41-I66 HydrophobicContact CD1-CB 4.04Å; L41-I66 HydrophobicContact CD1-CD1 4.34Å; L41-I66 HydrophobicContact CD1-CG2 3.67Å; L41-I66 HydrophobicContact CD2-CD1 4.34Å; I48-I66 HydrophobicContact CD1-CD1 4.01Å; L62-I66 HydrophobicContact CD1-CG2 3.83Å; L62-I66 HydrophobicContact CG-CD1 4.39Å; L62-I66 WeakPolarHBondContact O-CG1 3.02Å; L62-I66 WeakPolarHBondContact O-CG2 3.44Å; L62-I66 PolarHBondContact O-N 3.11Å; L62-I66 VanDerWaalsContact O-N 3.11Å; C63-I66 PolarHBondContact O-N 3.33Å; A64-I66 PolarHBondContact O-N 3.17Å; I66-E68 VanDerWaalsContact C-N 3.26Å; I66-E68 PolarHBondContact O-N 3.44Å; I66-E68 VanDerWaalsContact O-N 3.13Å; I66-Q69 WeakPolarHBondContact O-CA 3.49Å; I66-Q69 WeakPolarHBondContact O-CB 3.25Å; I66-Q69 PolarHBondContact O-N 2.73Å; I66-I70 HydrophobicContact CB-CG1 4.42Å; I66-I70 HydrophobicContact CD1-CD1 3.73Å; I66-I70 HydrophobicContact CD1-CG1 4.38Å; I66-I70 HydrophobicContact CG1-CD1 3.93Å; I66-I70 HydrophobicContact CG1-CG1 4.11Å; I66-I70 VanDerWaalsContact O-CG1 3.25Å; I66-I70 WeakPolarHBondContact O-CG1 3.43Å; I66-I70 PolarHBondContact O-N 2.91Å; I66-I74 HydrophobicContact CD1-CD1 4.38Å; I66-I74 HydrophobicContact CG1-CD1 4.49Å
67	R	87.3	Confident	91.5	Very high	47 Å²	47	42.6 Å²	42.6	18%	0.177	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-37	-166.1	-175.7	68.8	-73.5	175.2	4.7	113.6	C63 Q69 I70 C72 I74 G93 D95	C63-R67 VanDerWaalsContact O-CB 3.24Å; C63-R67 WeakPolarHBondContact O-CB 3.43Å; C63-R67 PolarHBondContact O-N 3.33Å; R67-Q69 VanDerWaalsContact C-N 3.27Å; R67-Q69 PolarHBondContact O-N 2.79Å; R67-I70 VanDerWaalsContact NH2-CG1 3.35Å; R67-I70 PolarHBondContact NH2-O 2.86Å; R67-C72 PolarHBondContact NH1-O 3.44Å; R67-C72 PolarHBondContact NH2-O 3.13Å; R67-I74 VanDerWaalsContact NH1-CD1 3.26Å; R67-G93 WeakPolarHBondContact CD-O 3.45Å; R67-G93 PolarHBondContact NH1-O 3.29Å; R67-G93 VanDerWaalsContact NH1-O 3.16Å; R67-D95 IonicContact NH1-OD2 3.21Å; R67-D95 PolarHBondContact NH1-OD2 3.09Å
68	E	81.9	Confident	91.5	Very high	198 Å²	198	41.3 Å²	41.3	93%	0.925	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-20.4	177.8	-64	-171.4	165.9	0	0	113.5	I66	I66-E68 VanDerWaalsContact C-N 3.26Å; I66-E68 PolarHBondContact O-N 3.44Å; I66-E68 VanDerWaalsContact O-N 3.13Å
69	Q	81.1	Confident	91.3	Very high	153 Å²	153	42 Å²	42	72%	0.715	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-17	-176	-57.2	179.2	3.1	0	0	113	I66 R67	I66-Q69 WeakPolarHBondContact O-CA 3.49Å; I66-Q69 WeakPolarHBondContact O-CB 3.25Å; I66-Q69 PolarHBondContact O-N 2.73Å; R67-Q69 VanDerWaalsContact C-N 3.27Å; R67-Q69 PolarHBondContact O-N 2.79Å
70	I	83.2	Confident	90.7	Very high	27 Å²	27	46.2 Å²	46.2	14%	0.138	26%	0.256	C	S	.	.			trans	-126	144.8	-176.5	54.2	150.7	0	0	0	111.7	L41 I48 I66 R67 I74	L41-I70 HydrophobicContact CD2-CG2 4.35Å; I48-I70 HydrophobicContact CD1-CD1 3.53Å; I66-I70 HydrophobicContact CB-CG1 4.42Å; I66-I70 HydrophobicContact CD1-CD1 3.73Å; I66-I70 HydrophobicContact CD1-CG1 4.38Å; I66-I70 HydrophobicContact CG1-CD1 3.93Å; I66-I70 HydrophobicContact CG1-CG1 4.11Å; I66-I70 VanDerWaalsContact O-CG1 3.25Å; I66-I70 WeakPolarHBondContact O-CG1 3.43Å; I66-I70 PolarHBondContact O-N 2.91Å; R67-I70 VanDerWaalsContact NH2-CG1 3.35Å; R67-I70 PolarHBondContact NH2-O 2.86Å; I70-I74 HydrophobicContact CD1-CD1 3.86Å; I70-I74 HydrophobicContact CD1-CG1 4.09Å
71	T	83.3	Confident	90.1	Very high	137 Å²	137	52.9 Å²	52.9	84%	0.84	29%	0.287	S	S	*	.			trans	-108.6	-5.8	177	60.5	0	0	0	0	113.3
72	C	87.5	Confident	89.7	Confident	12 Å²	12	51.1 Å²	51.1	8%	0.081	28%	0.281	C	S	.	.	S	Bend	trans	-72	152.4	-179.9	63	0	0	0	0	111.4	P45 D46 R67	P45-C72 WeakPolarHBondContact O-CB 3.36Å; D46-C72 WeakPolarHBondContact O-CB 3.24Å; R67-C72 PolarHBondContact NH1-O 3.44Å; R67-C72 PolarHBondContact NH2-O 3.13Å
73	P	93.6	Very high	89.3	Confident	2 Å²	2	58 Å²	58	1%	0.013	31%	0.313	C	S	.	.			trans	-62	145.8	176.7	-22.5	34.6	0	0	0	112.4	D46 I47 I48 D95 H114 E118	D46-P73 WeakPolarHBondContact O-CD 3.26Å; I47-P73 HydrophobicContact CD1-CB 4.11Å; I47-P73 HydrophobicContact CG1-CB 4.18Å; I48-P73 PolarHBondContact N-O 3.26Å; P73-D95 WeakPolarHBondContact CA-OD2 3.39Å; P73-D95 HydrophobicContact CB-CB 4.05Å; P73-H114 HydrophobicContact CB-CB 4.12Å; P73-H114 HydrophobicContact CG-CB 4.12Å; P73-E118 HydrophobicContact CG-CG 3.55Å
74	I	97	Very high	89.1	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.9	171	-61.4	170.1	0	0	0	108.7	I48 L50 C63 I66 R67 I70 F76 D95 D96	I48-I74 HydrophobicContact CB-CG1 4.28Å; I48-I74 WeakPolarHBondContact O-CA 3.04Å; L50-I74 HydrophobicContact CB-CG2 4.16Å; L50-I74 HydrophobicContact CD2-CG2 4.1Å; C63-I74 HydrophobicContact CB-CD1 4.49Å; C63-I74 VanDerWaalsContact SG-CD1 3.53Å; I66-I74 HydrophobicContact CD1-CD1 4.38Å; I66-I74 HydrophobicContact CG1-CD1 4.49Å; R67-I74 VanDerWaalsContact NH1-CD1 3.26Å; I70-I74 HydrophobicContact CD1-CD1 3.86Å; I70-I74 HydrophobicContact CD1-CG1 4.09Å; I74-F76 HydrophobicContact CG2-CE1 4.39Å; I74-F76 HydrophobicContact CG2-CZ 4.36Å; I74-D95 PolarHBondContact N-OD2 3.38Å; I74-D95 PolarHBondContact O-N 3.41Å; I74-D96 PolarHBondContact O-N 2.9Å
75	V	97.7	Very high	88.9	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	113.8	175.5	176.8	0	0	0	0	108.6	I47 I48 I49 L50 D96 L98 I111	I47-V75 HydrophobicContact CD1-CG2 4.13Å; I48-V75 PolarHBondContact O-N 2.94Å; I49-V75 WeakPolarHBondContact CA-O 3.48Å; L50-V75 PolarHBondContact N-O 2.71Å; V75-D96 HydrophobicContact CB-CB 4.45Å; V75-D96 HydrophobicContact CG1-CB 4.16Å; V75-D96 HydrophobicContact CG2-CB 4.02Å; V75-L98 HydrophobicContact CG1-CD1 3.76Å; V75-L98 HydrophobicContact CG1-CG 4.29Å; V75-I111 HydrophobicContact CB-CD1 4.33Å; V75-I111 HydrophobicContact CG2-CD1 3.95Å
76	F	97.2	Very high	88.7	Confident	0 Å²	0	66 Å²	66	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	139.2	176.1	-72.8	-65.8	0	0	0	111.8	L50 V52 G59 F60 C63 I74 G89 D96 Y97 L98	L50-F76 HydrophobicContact CB-CD1 4.23Å; L50-F76 HydrophobicContact CB-CE1 4.47Å; L50-F76 HydrophobicContact CD2-CD1 4.27Å; L50-F76 HydrophobicContact CD2-CE1 3.7Å; L50-F76 HydrophobicContact CG-CD1 4.12Å; L50-F76 HydrophobicContact CG-CE1 4.02Å; L50-F76 CarbonylContact O-C 3.56Å; L50-F76 VanDerWaalsContact O-CA 3.29Å; L50-F76 WeakPolarHBondContact O-CA 3.25Å; V52-F76 HydrophobicContact CG2-CB 3.99Å; V52-F76 HydrophobicContact CG2-CD1 3.63Å; V52-F76 HydrophobicContact CG2-CE1 4.4Å; V52-F76 HydrophobicContact CG2-CG 4.07Å; G59-F76 WeakPolarHBondContact O-CE1 3.32Å; F60-F76 HydrophobicContact CD1-CD1 4.22Å; F60-F76 AromaticContact CD1-CE1 3.69Å; F60-F76 HydrophobicContact CD1-CE1 3.69Å; F60-F76 HydrophobicContact CD1-CE2 4.18Å; F60-F76 AromaticContact CD1-CZ 3.65Å; F60-F76 HydrophobicContact CD1-CZ 3.65Å; F60-F76 HydrophobicContact CE1-CD1 4.16Å; F60-F76 HydrophobicContact CE1-CD2 4.28Å; F60-F76 HydrophobicContact CE1-CE1 4.06Å; F60-F76 HydrophobicContact CE1-CE2 4.17Å; F60-F76 HydrophobicContact CE1-CG 4.25Å; F60-F76 HydrophobicContact CE1-CZ 4.05Å; C63-F76 HydrophobicContact CB-CE1 3.99Å; C63-F76 HydrophobicContact CB-CZ 3.52Å; I74-F76 HydrophobicContact CG2-CE1 4.39Å; I74-F76 HydrophobicContact CG2-CZ 4.36Å; F76-G89 WeakPolarHBondContact CE2-O 3.49Å; F76-D96 PolarHBondContact N-O 2.83Å; F76-Y97 HydrophobicContact CB-CD2 3.65Å; F76-Y97 HydrophobicContact CB-CE2 4.23Å; F76-Y97 HydrophobicContact CB-CG 4.23Å; F76-Y97 HydrophobicContact CD2-CD2 4.29Å; F76-Y97 HydrophobicContact CG-CD2 4.27Å; F76-L98 PolarHBondContact O-N 2.95Å
77	L	96.1	Very high	88.7	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.9	164.2	-57.4	-173.4	0	0	0	108.8	F17 I49 L50 D51 V52 L98 K100 V102 L107	F17-L77 HydrophobicContact CD2-CD1 4.34Å; F17-L77 HydrophobicContact CE2-CD1 3.41Å; F17-L77 VanDerWaalsContact CE2-CD1 3.41Å; F17-L77 HydrophobicContact CZ-CD1 4.08Å; I49-L77 HydrophobicContact CG2-CD1 3.49Å; I49-L77 VanDerWaalsContact CG2-CD1 3.49Å; I49-L77 HydrophobicContact CG2-CD2 4.28Å; I49-L77 HydrophobicContact CG2-CG 3.68Å; L50-L77 PolarHBondContact O-N 2.92Å; D51-L77 CarbonylContact C-O 3.58Å; D51-L77 WeakPolarHBondContact CA-O 3.28Å; V52-L77 WeakPolarHBondContact CG2-O 3.41Å; V52-L77 PolarHBondContact N-O 2.83Å; L77-L98 CarbonylContact C-O 3.26Å; L77-L98 WeakPolarHBondContact CA-O 3.4Å; L77-L98 HydrophobicContact CD2-CB 3.72Å; L77-L98 HydrophobicContact CD2-CD1 3.98Å; L77-L98 HydrophobicContact CD2-CG 4.44Å; L77-K100 HydrophobicContact CB-CG 4.48Å; L77-V102 HydrophobicContact CD2-CG1 4.17Å; L77-L107 HydrophobicContact CD2-CD1 3.99Å
78	S	92.3	Very high	88.8	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	146.1	-178.2	-176.9	0	0	0	0	112.1	K80 Y97 L98 V99 K100	S78-K80 PolarHBondContact O-N 2.93Å; S78-K80 WeakPolarHBondContact OG-CB 3.34Å; S78-K80 PolarHBondContact OG-N 2.85Å; S78-Y97 VanDerWaalsContact CB-CZ 3.42Å; S78-Y97 WeakPolarHBondContact CB-OH 3.49Å; S78-Y97 PolarHBondContact OG-OH 2.82Å; S78-L98 PolarHBondContact N-O 2.81Å; S78-V99 CarbonylContact O-C 3.59Å; S78-V99 VanDerWaalsContact O-CA 3.25Å; S78-V99 WeakPolarHBondContact O-CA 3.34Å; S78-K100 PolarHBondContact O-N 3.41Å
79	A	90	Very high	89	Confident	68 Å²	68	62.9 Å²	62.9	56%	0.562	32%	0.315	S	S	*	.	S	Bend	trans	-75.3	-11.3	168	0	0	0	0	0	113.1
80	K	83.2	Confident	89.3	Confident	89 Å²	89	59.6 Å²	59.6	39%	0.387	30%	0.302	S	S	.	.			trans	-83.2	117.8	-178.2	-65	-175	-173.8	174.7	0	111.3	S78 D82 S85 Y97	S78-K80 PolarHBondContact O-N 2.93Å; S78-K80 WeakPolarHBondContact OG-CB 3.34Å; S78-K80 PolarHBondContact OG-N 2.85Å; K80-D82 WeakPolarHBondContact CB-OD2 3.2Å; K80-S85 WeakPolarHBondContact CD-OG 3.32Å; K80-Y97 PolarHBondContact O-OH 3.03Å
81	E	80.5	Confident	89.6	Confident	149 Å²	149	63.7 Å²	63.7	70%	0.696	33%	0.329	S	S	*	.			trans	-89.7	-8.3	176.2	-75.1	-176.3	-174.6	0	0	113.8	V99	E81-V99 HydrophobicContact CG-CB 4.33Å; E81-V99 HydrophobicContact CG-CG1 3.36Å; E81-V99 HydrophobicContact CG-CG2 4.04Å
82	D	87.4	Confident	89.8	Confident	70 Å²	70	59.5 Å²	59.5	37%	0.374	30%	0.3	S	S	.	.			trans	-67.3	143.5	-176.2	64.4	90.6	0	0	0	112.4	K80 E84 S85 R86	K80-D82 WeakPolarHBondContact CB-OD2 3.2Å; D82-E84 PolarHBondContact O-N 2.95Å; D82-S85 VanDerWaalsContact CG-OG 3.26Å; D82-S85 PolarHBondContact O-N 2.95Å; D82-S85 VanDerWaalsContact OD1-CB 3.25Å; D82-S85 WeakPolarHBondContact OD1-CB 3.49Å; D82-S85 PolarHBondContact OD1-N 3.44Å; D82-S85 PolarHBondContact OD1-OG 3.48Å; D82-S85 PolarHBondContact OD2-OG 3.16Å; D82-S85 VanDerWaalsContact OD2-OG 3.09Å; D82-R86 PolarHBondContact O-N 3.35Å
83	E	87.9	Confident	89.8	Confident	145 Å²	145	60 Å²	60	68%	0.678	31%	0.308	S	S	*	.	H	α-helix	trans	-62.5	-33.4	-178.5	-173.9	176.4	-169.8	0	0	112	R86 I87	E83-R86 WeakPolarHBondContact O-CB 3.31Å; E83-R86 PolarHBondContact O-N 3.24Å; E83-I87 HydrophobicContact CG-CD1 3.78Å; E83-I87 HydrophobicContact CG-CG1 4.27Å; E83-I87 WeakPolarHBondContact O-CB 3.29Å; E83-I87 VanDerWaalsContact O-CG1 3.29Å; E83-I87 WeakPolarHBondContact O-CG1 3.46Å; E83-I87 PolarHBondContact O-N 3.43Å
84	E	90.9	Very high	89.6	Confident	156 Å²	156	60.4 Å²	60.4	73%	0.729	31%	0.312	S	S	*	.	H	α-helix	trans	-62.9	-46.9	-178.9	-173.8	171.1	-166.7	0	0	111.6	D82 R86 I87 Q88	D82-E84 PolarHBondContact O-N 2.95Å; E84-R86 VanDerWaalsContact C-N 3.32Å; E84-R86 PolarHBondContact O-N 3.01Å; E84-I87 PolarHBondContact O-N 3Å; E84-Q88 WeakPolarHBondContact O-CB 3.3Å; E84-Q88 PolarHBondContact O-N 3.1Å
85	S	87.3	Confident	89.4	Confident	7 Å²	7	63.6 Å²	63.6	5%	0.049	33%	0.329	C	S	.	.	H	α-helix	trans	-62	-39.1	175.6	-62.6	0	0	0	0	112.1	F60 K80 D82 Q88 G89	F60-S85 WeakPolarHBondContact CZ-O 3.38Å; K80-S85 WeakPolarHBondContact CD-OG 3.32Å; D82-S85 VanDerWaalsContact CG-OG 3.26Å; D82-S85 PolarHBondContact O-N 2.95Å; D82-S85 VanDerWaalsContact OD1-CB 3.25Å; D82-S85 WeakPolarHBondContact OD1-CB 3.49Å; D82-S85 PolarHBondContact OD1-N 3.44Å; D82-S85 PolarHBondContact OD1-OG 3.48Å; D82-S85 PolarHBondContact OD2-OG 3.16Å; D82-S85 VanDerWaalsContact OD2-OG 3.09Å; S85-Q88 PolarHBondContact O-N 3.13Å; S85-G89 PolarHBondContact O-N 2.99Å
86	R	87.4	Confident	89.3	Confident	124 Å²	124	65 Å²	65	47%	0.468	34%	0.337	S	S	.	.	H	α-helix	trans	-65	-46.2	176.2	-70	178.5	62.1	-158.8	-4.6	111.6	D82 E83 E84 Q88 L90 Y97	D82-R86 PolarHBondContact O-N 3.35Å; E83-R86 WeakPolarHBondContact O-CB 3.31Å; E83-R86 PolarHBondContact O-N 3.24Å; E84-R86 VanDerWaalsContact C-N 3.32Å; E84-R86 PolarHBondContact O-N 3.01Å; R86-Q88 VanDerWaalsContact C-N 3.34Å; R86-L90 WeakPolarHBondContact O-CG 3.34Å; R86-L90 PolarHBondContact O-N 3.47Å; R86-L90 VanDerWaalsContact O-N 3.16Å; R86-Y97 HydrophobicContact CG-CD1 3.55Å; R86-Y97 HydrophobicContact CG-CE1 3.56Å; R86-Y97 HydrophobicContact CG-CG 4.02Å
87	I	88.9	Confident	89.2	Confident	93 Å²	93	65.6 Å²	65.6	48%	0.477	34%	0.339	S	S	.	.	H	α-helix	trans	-61.9	-45.5	176.7	-70.7	170.5	0	0	0	109.8	E83 E84 L90 T91	E83-I87 HydrophobicContact CG-CD1 3.78Å; E83-I87 HydrophobicContact CG-CG1 4.27Å; E83-I87 WeakPolarHBondContact O-CB 3.29Å; E83-I87 VanDerWaalsContact O-CG1 3.29Å; E83-I87 WeakPolarHBondContact O-CG1 3.46Å; E83-I87 PolarHBondContact O-N 3.43Å; E84-I87 PolarHBondContact O-N 3Å; I87-L90 PolarHBondContact O-N 3.03Å; I87-T91 VanDerWaalsContact O-CB 3.29Å; I87-T91 WeakPolarHBondContact O-CB 3.28Å; I87-T91 PolarHBondContact O-N 3.11Å; I87-T91 PolarHBondContact O-OG1 3.05Å
88	Q	90.4	Very high	89.2	Confident	89 Å²	89	65.8 Å²	65.8	42%	0.416	34%	0.34	S	S	.	.	H	α-helix	trans	-57.6	-53.2	178.3	-178.6	-178.9	3.8	0	0	111.3	F60 E84 S85 R86 L90 T91 I92	F60-Q88 HydrophobicContact CD2-CG 4.2Å; F60-Q88 HydrophobicContact CE2-CB 4.48Å; F60-Q88 HydrophobicContact CE2-CG 4.2Å; E84-Q88 WeakPolarHBondContact O-CB 3.3Å; E84-Q88 PolarHBondContact O-N 3.1Å; S85-Q88 PolarHBondContact O-N 3.13Å; R86-Q88 VanDerWaalsContact C-N 3.34Å; Q88-L90 PolarHBondContact O-N 3.43Å; Q88-T91 PolarHBondContact O-N 2.9Å; Q88-T91 VanDerWaalsContact O-N 3.11Å; Q88-I92 HydrophobicContact CG-CD1 3.75Å; Q88-I92 WeakPolarHBondContact O-CG1 3.33Å; Q88-I92 PolarHBondContact O-N 3.45Å
89	G	85.6	Confident	89.2	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-58.3	-45.1	-179.3	0	0	0	0	0	112.9	F60 F76 S85 T91 I92 G93 G94	F60-G89 VanDerWaalsContact CE1-CA 3.45Å; F76-G89 WeakPolarHBondContact CE2-O 3.49Å; S85-G89 PolarHBondContact O-N 2.99Å; G89-T91 VanDerWaalsContact C-N 3.33Å; G89-T91 PolarHBondContact O-N 2.96Å; G89-I92 PolarHBondContact O-N 2.83Å; G89-G93 PolarHBondContact O-N 2.68Å; G89-G94 PolarHBondContact O-N 2.89Å
90	L	86.9	Confident	89.3	Confident	84 Å²	84	66.5 Å²	66.5	44%	0.44	33%	0.334	S	S	.	.	H	α-helix	trans	-67.3	-34	177.3	-64.8	176	0	0	0	112.3	R86 I87 Q88 G93 G94	R86-L90 WeakPolarHBondContact O-CG 3.34Å; R86-L90 PolarHBondContact O-N 3.47Å; R86-L90 VanDerWaalsContact O-N 3.16Å; I87-L90 PolarHBondContact O-N 3.03Å; Q88-L90 PolarHBondContact O-N 3.43Å; L90-G93 PolarHBondContact O-N 3.45Å; L90-G94 WeakPolarHBondContact CD2-O 3.29Å
91	T	89.5	Confident	89.8	Confident	113 Å²	113	68.8 Å²	68.8	69%	0.693	36%	0.358	S	S	*	.	H	α-helix	trans	-69.6	-35.5	178.3	-58.1	0	0	0	0	112.2	I87 Q88 G89 G93	I87-T91 VanDerWaalsContact O-CB 3.29Å; I87-T91 WeakPolarHBondContact O-CB 3.28Å; I87-T91 PolarHBondContact O-N 3.11Å; I87-T91 PolarHBondContact O-OG1 3.05Å; Q88-T91 PolarHBondContact O-N 2.9Å; Q88-T91 VanDerWaalsContact O-N 3.11Å; G89-T91 VanDerWaalsContact C-N 3.33Å; G89-T91 PolarHBondContact O-N 2.96Å; T91-G93 PolarHBondContact O-N 3.38Å
92	I	89.3	Confident	90.3	Very high	48 Å²	48	62.7 Å²	62.7	25%	0.246	33%	0.331	C	S	.	.	H	α-helix	trans	-70.4	-17.6	177.9	-67.6	169	0	0	0	111.9	F60 C63 A64 Q88 G89	F60-I92 HydrophobicContact CB-CD1 3.75Å; F60-I92 HydrophobicContact CD1-CD1 4.48Å; F60-I92 HydrophobicContact CG-CD1 4.13Å; C63-I92 HydrophobicContact CB-CG2 4.02Å; A64-I92 HydrophobicContact CB-CG2 3.85Å; Q88-I92 HydrophobicContact CG-CD1 3.75Å; Q88-I92 WeakPolarHBondContact O-CG1 3.33Å; Q88-I92 PolarHBondContact O-N 3.45Å; G89-I92 PolarHBondContact O-N 2.83Å
93	G	86.2	Confident	90.6	Very high	24 Å²	24	62.5 Å²	62.5	25%	0.247	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	112.9	21.1	178.4	0	0	0	0	0	114.3	R67 G89 L90 T91	R67-G93 WeakPolarHBondContact CD-O 3.45Å; R67-G93 PolarHBondContact NH1-O 3.29Å; R67-G93 VanDerWaalsContact NH1-O 3.16Å; G89-G93 PolarHBondContact O-N 2.68Å; L90-G93 PolarHBondContact O-N 3.45Å; T91-G93 PolarHBondContact O-N 3.38Å
94	G	89	Confident	91	Very high	9 Å²	9	58.4 Å²	58.4	9%	0.093	32%	0.318	C	S	.	.			trans	-68.4	145.6	161.7	0	0	0	0	0	111.7	G89 L90	G89-G94 PolarHBondContact O-N 2.89Å; L90-G94 WeakPolarHBondContact CD2-O 3.29Å
95	D	93.7	Very high	91.2	Very high	67 Å²	67	58.1 Å²	58.1	36%	0.358	31%	0.314	S	S	.	.	S	Bend	trans	-96.7	-20.4	-178.3	-63.7	-96.6	0	0	0	112.6	R67 P73 I74 H114	R67-D95 IonicContact NH1-OD2 3.21Å; R67-D95 PolarHBondContact NH1-OD2 3.09Å; P73-D95 WeakPolarHBondContact CA-OD2 3.39Å; P73-D95 HydrophobicContact CB-CB 4.05Å; I74-D95 PolarHBondContact N-OD2 3.38Å; I74-D95 PolarHBondContact O-N 3.41Å; D95-H114 PolarHBondContact O-CE1 3.26Å
96	D	95.4	Very high	91.7	Very high	29 Å²	29	61.5 Å²	61.5	16%	0.155	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	160.5	175	-153.2	-11.4	0	0	0	110.5	I74 V75 F76 R110 H114	I74-D96 PolarHBondContact O-N 2.9Å; V75-D96 HydrophobicContact CB-CB 4.45Å; V75-D96 HydrophobicContact CG1-CB 4.16Å; V75-D96 HydrophobicContact CG2-CB 4.02Å; F76-D96 PolarHBondContact N-O 2.83Å; D96-R110 VanDerWaalsContact CG-NH1 3.33Å; D96-R110 IonicContact OD1-NH1 2.67Å; D96-R110 PolarHBondContact OD1-NH1 3.46Å; D96-R110 IonicContact OD2-CZ 3.9Å; D96-R110 IonicContact OD2-NH1 3.14Å; D96-R110 PolarHBondContact OD2-NH1 3.35Å; D96-H114 VanDerWaalsContact CB-NE2 3.34Å; D96-H114 WeakPolarHBondContact CB-NE2 3.29Å; D96-H114 IonicContact OD2-NE2 2.77Å; D96-H114 PolarHBondContact OD2-NE2 2.93Å
97	Y	95.6	Very high	92.2	Very high	13 Å²	13	55.6 Å²	55.6	5%	0.051	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	123.7	178.9	-171.8	-73.8	0	0	0	109.8	V52 F60 F76 S78 K80 R86 V99	V52-Y97 HydrophobicContact CG2-CE2 4.29Å; F60-Y97 HydrophobicContact CE1-CE2 4.21Å; F60-Y97 AromaticContact CZ-CE2 3.99Å; F60-Y97 HydrophobicContact CZ-CE2 3.99Å; F76-Y97 HydrophobicContact CB-CD2 3.65Å; F76-Y97 HydrophobicContact CB-CE2 4.23Å; F76-Y97 HydrophobicContact CB-CG 4.23Å; F76-Y97 HydrophobicContact CD2-CD2 4.29Å; F76-Y97 HydrophobicContact CG-CD2 4.27Å; S78-Y97 VanDerWaalsContact CB-CZ 3.42Å; S78-Y97 WeakPolarHBondContact CB-OH 3.49Å; S78-Y97 PolarHBondContact OG-OH 2.82Å; K80-Y97 PolarHBondContact O-OH 3.03Å; R86-Y97 HydrophobicContact CG-CD1 3.55Å; R86-Y97 HydrophobicContact CG-CE1 3.56Å; R86-Y97 HydrophobicContact CG-CG 4.02Å; Y97-V99 HydrophobicContact CE1-CG2 4.26Å
98	L	95	Very high	92.6	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.026	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.2	-178.1	-67.4	170.9	0	0	0	111.7	V75 F76 L77 S78 V102 L107 R110	V75-L98 HydrophobicContact CG1-CD1 3.76Å; V75-L98 HydrophobicContact CG1-CG 4.29Å; F76-L98 PolarHBondContact O-N 2.95Å; L77-L98 CarbonylContact C-O 3.26Å; L77-L98 WeakPolarHBondContact CA-O 3.4Å; L77-L98 HydrophobicContact CD2-CB 3.72Å; L77-L98 HydrophobicContact CD2-CD1 3.98Å; L77-L98 HydrophobicContact CD2-CG 4.44Å; S78-L98 PolarHBondContact N-O 2.81Å; L98-V102 HydrophobicContact CD1-CG2 4.27Å; L98-L107 HydrophobicContact CD1-CD1 3.6Å; L98-R110 VanDerWaalsContact CD1-CD 3.45Å
99	V	93.8	Very high	92.9	Very high	45 Å²	45	52 Å²	52	27%	0.273	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	132.7	177.1	175.9	0	0	0	0	109.5	S78 E81 Y97 P101	S78-V99 CarbonylContact O-C 3.59Å; S78-V99 VanDerWaalsContact O-CA 3.25Å; S78-V99 WeakPolarHBondContact O-CA 3.34Å; E81-V99 HydrophobicContact CG-CB 4.33Å; E81-V99 HydrophobicContact CG-CG1 3.36Å; E81-V99 HydrophobicContact CG-CG2 4.04Å; Y97-V99 HydrophobicContact CE1-CG2 4.26Å; V99-P101 CarbonylContact O-C 3.55Å
100	K	92.2	Very high	93.4	Very high	38 Å²	38	55.9 Å²	55.9	17%	0.165	31%	0.308	C	S	.	.	S	Bend	trans	-78.7	138.5	168.7	-70.9	-179.8	175.7	178	0	109.7	D8 L13 D51 L77 S78	D8-K100 IonicContact OD1-NZ 3.36Å; D8-K100 PolarHBondContact OD1-NZ 3.32Å; D8-K100 WeakPolarHBondContact OD2-CE 3.42Å; D8-K100 IonicContact OD2-NZ 3.07Å; D8-K100 PolarHBondContact OD2-NZ 3.35Å; L13-K100 HydrophobicContact CD2-CD 4.39Å; D51-K100 VanDerWaalsContact OD1-CE 3.28Å; D51-K100 WeakPolarHBondContact OD1-CE 3.29Å; D51-K100 IonicContact OD1-NZ 3.8Å; D51-K100 PolarHBondContact OD1-NZ 3.09Å; L77-K100 HydrophobicContact CB-CG 4.48Å; S78-K100 PolarHBondContact O-N 3.41Å
101	P	92	Very high	93.9	Very high	137 Å²	137	51.9 Å²	51.9	89%	0.89	29%	0.287	S	S	*	.	S	Bend	cis	-80.9	128.1	3.3	31.4	-33.4	0	0	0	112.3	V99	V99-P101 CarbonylContact O-C 3.55Å
102	V	91.9	Very high	94.2	Very high	20 Å²	20	50.7 Å²	50.7	12%	0.121	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-102.6	135.1	175.7	62.3	0	0	0	0	110	F17 L77 L98 E106 L107	F17-V102 HydrophobicContact CZ-CG1 4.2Å; L77-V102 HydrophobicContact CD2-CG1 4.17Å; L98-V102 HydrophobicContact CD1-CG2 4.27Å; V102-E106 HydrophobicContact CG2-CB 4.2Å; V102-E106 HydrophobicContact CG2-CG 4.37Å; V102-L107 HydrophobicContact CG2-CB 4.16Å
103	S	94.8	Very high	94.3	Very high	66 Å²	66	50.1 Å²	50.1	46%	0.462	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-70.9	142.9	175.1	75.1	0	0	0	0	111.1	K105 E106 L107	S103-K105 PolarHBondContact O-N 3.34Å; S103-K105 VanDerWaalsContact O-N 3.13Å; S103-E106 PolarHBondContact O-N 3.16Å; S103-E106 VanDerWaalsContact OG-CB 3.3Å; S103-E106 WeakPolarHBondContact OG-CB 3.33Å; S103-E106 PolarHBondContact OG-N 2.77Å; S103-E106 VanDerWaalsContact OG-N 3.1Å; S103-L107 PolarHBondContact O-N 3.27Å
104	L	95.8	Very high	94.6	Very high	59 Å²	59	50 Å²	50	31%	0.309	27%	0.269	S	S	.	.	H	α-helix	trans	-51	-39.4	175	-69.1	175.5	0	0	0	112.5	T16 F17 Y20 G108	T16-L104 HydrophobicContact CG2-CD1 4.06Å; T16-L104 HydrophobicContact CG2-CD2 4.06Å; T16-L104 HydrophobicContact CG2-CG 4.5Å; F17-L104 HydrophobicContact CD1-CD2 3.37Å; F17-L104 HydrophobicContact CE1-CD2 3.63Å; Y20-L104 HydrophobicContact CD1-CB 4.37Å; Y20-L104 HydrophobicContact CD1-CD2 4.34Å; Y20-L104 HydrophobicContact CD2-CB 3.94Å; Y20-L104 HydrophobicContact CD2-CD1 4.11Å; Y20-L104 HydrophobicContact CD2-CG 4.45Å; Y20-L104 HydrophobicContact CE1-CB 4.46Å; Y20-L104 VanDerWaalsContact CE1-O 3.29Å; Y20-L104 WeakPolarHBondContact CE1-O 3.49Å; Y20-L104 HydrophobicContact CE2-CB 4.05Å; Y20-L104 HydrophobicContact CG-CB 4.11Å; Y20-L104 HydrophobicContact CG-CD1 4.29Å; Y20-L104 HydrophobicContact CG-CD2 4.05Å; Y20-L104 HydrophobicContact CG-CG 4.39Å; Y20-L104 PolarHBondContact OH-O 3.16Å; L104-G108 PolarHBondContact O-N 3.48Å
105	K	95.2	Very high	94.8	Very high	151 Å²	151	49.9 Å²	49.9	66%	0.657	27%	0.266	S	S	*	.	H	α-helix	trans	-67.9	-42.6	179.8	-172.2	177.4	-179.5	-179.9	0	112.3	S103 L109	S103-K105 PolarHBondContact O-N 3.34Å; S103-K105 VanDerWaalsContact O-N 3.13Å; K105-L109 HydrophobicContact CG-CD1 4.35Å; K105-L109 WeakPolarHBondContact O-CB 3.2Å; K105-L109 VanDerWaalsContact O-CG 3.28Å; K105-L109 WeakPolarHBondContact O-CG 3.48Å; K105-L109 PolarHBondContact O-N 3.49Å
106	E	97.3	Very high	94.4	Very high	78 Å²	78	52.3 Å²	52.3	36%	0.364	27%	0.27	S	S	.	.	H	α-helix	trans	-64.6	-47.7	176.3	-178.8	177.6	179.2	0	0	110.9	V102 S103 G108 L109 R110	V102-E106 HydrophobicContact CG2-CB 4.2Å; V102-E106 HydrophobicContact CG2-CG 4.37Å; S103-E106 PolarHBondContact O-N 3.16Å; S103-E106 VanDerWaalsContact OG-CB 3.3Å; S103-E106 WeakPolarHBondContact OG-CB 3.33Å; S103-E106 PolarHBondContact OG-N 2.77Å; S103-E106 VanDerWaalsContact OG-N 3.1Å; E106-G108 VanDerWaalsContact C-N 3.33Å; E106-G108 PolarHBondContact O-N 2.82Å; E106-L109 PolarHBondContact O-N 3.31Å; E106-R110 PolarHBondContact O-N 2.76Å; E106-R110 IonicContact OE1-CZ 2.77Å; E106-R110 IonicContact OE1-NE 3.77Å; E106-R110 PolarHBondContact OE1-NE 3.15Å; E106-R110 VanDerWaalsContact OE1-NE 3.07Å; E106-R110 IonicContact OE1-NH2 3.79Å; E106-R110 PolarHBondContact OE1-NH2 2.9Å
107	L	97.5	Very high	93.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-57.2	-49.4	177	-176.4	58.3	0	0	0	110.2	F17 F21 I49 L77 L98 V102 S103 L109 R110 I111	F17-L107 HydrophobicContact CD1-CD2 4.09Å; F17-L107 HydrophobicContact CD2-CD2 4.01Å; F17-L107 HydrophobicContact CE1-CD2 3.85Å; F17-L107 HydrophobicContact CE2-CD2 3.78Å; F17-L107 HydrophobicContact CG-CD2 4.16Å; F17-L107 HydrophobicContact CZ-CD2 3.67Å; F21-L107 HydrophobicContact CE2-CD2 4.04Å; F21-L107 HydrophobicContact CE2-CG 4.27Å; F21-L107 HydrophobicContact CZ-CD2 4.27Å; F21-L107 HydrophobicContact CZ-CG 3.99Å; I49-L107 HydrophobicContact CD1-CD1 4.33Å; I49-L107 HydrophobicContact CD1-CD2 4.24Å; I49-L107 HydrophobicContact CD1-CG 4.39Å; L77-L107 HydrophobicContact CD2-CD1 3.99Å; L98-L107 HydrophobicContact CD1-CD1 3.6Å; V102-L107 HydrophobicContact CG2-CB 4.16Å; S103-L107 PolarHBondContact O-N 3.27Å; L107-L109 PolarHBondContact O-N 3.4Å; L107-R110 PolarHBondContact O-N 2.85Å; L107-R110 VanDerWaalsContact O-N 3.16Å; L107-I111 HydrophobicContact CD1-CD1 4.49Å; L107-I111 HydrophobicContact CD1-CG1 4.29Å; L107-I111 HydrophobicContact CG-CG1 4.46Å; L107-I111 VanDerWaalsContact O-CG1 3.29Å; L107-I111 WeakPolarHBondContact O-CG1 3.42Å; L107-I111 PolarHBondContact O-N 3Å
108	G	97.3	Very high	93	Very high	9 Å²	9	58.1 Å²	58.1	9%	0.093	29%	0.291	C	S	.	.	H	α-helix	trans	-54.9	-45.3	176.4	0	0	0	0	0	113.9	L104 E106 R110 I111 E112	L104-G108 PolarHBondContact O-N 3.48Å; E106-G108 VanDerWaalsContact C-N 3.33Å; E106-G108 PolarHBondContact O-N 2.82Å; G108-R110 PolarHBondContact O-N 3.37Å; G108-I111 PolarHBondContact O-N 3.07Å; G108-E112 WeakPolarHBondContact O-CB 3.17Å; G108-E112 PolarHBondContact O-N 2.98Å
109	L	96.6	Very high	92	Very high	98 Å²	98	60.7 Å²	60.7	51%	0.513	31%	0.305	S	S	.	.	H	α-helix	trans	-65.2	-37.2	178.3	-74.5	171.2	0	0	0	112.7	K105 E106 L107 A113	K105-L109 HydrophobicContact CG-CD1 4.35Å; K105-L109 WeakPolarHBondContact O-CB 3.2Å; K105-L109 VanDerWaalsContact O-CG 3.28Å; K105-L109 WeakPolarHBondContact O-CG 3.48Å; K105-L109 PolarHBondContact O-N 3.49Å; E106-L109 PolarHBondContact O-N 3.31Å; L107-L109 PolarHBondContact O-N 3.4Å; L109-A113 WeakPolarHBondContact O-CB 3.34Å; L109-A113 PolarHBondContact O-N 3.4Å
110	R	97.1	Very high	90.9	Very high	80 Å²	80	66.1 Å²	66.1	30%	0.302	32%	0.32	S	S	.	.	H	α-helix	trans	-69	-44.8	176.8	-74.3	175	179.5	-100.4	15.7	111.7	D96 L98 E106 L107 G108 E112 A113 H114	D96-R110 VanDerWaalsContact CG-NH1 3.33Å; D96-R110 IonicContact OD1-NH1 2.67Å; D96-R110 PolarHBondContact OD1-NH1 3.46Å; D96-R110 IonicContact OD2-CZ 3.9Å; D96-R110 IonicContact OD2-NH1 3.14Å; D96-R110 PolarHBondContact OD2-NH1 3.35Å; L98-R110 VanDerWaalsContact CD1-CD 3.45Å; E106-R110 PolarHBondContact O-N 2.76Å; E106-R110 IonicContact OE1-CZ 2.77Å; E106-R110 IonicContact OE1-NE 3.77Å; E106-R110 PolarHBondContact OE1-NE 3.15Å; E106-R110 VanDerWaalsContact OE1-NE 3.07Å; E106-R110 IonicContact OE1-NH2 3.79Å; E106-R110 PolarHBondContact OE1-NH2 2.9Å; L107-R110 PolarHBondContact O-N 2.85Å; L107-R110 VanDerWaalsContact O-N 3.16Å; G108-R110 PolarHBondContact O-N 3.37Å; R110-E112 VanDerWaalsContact C-N 3.33Å; R110-E112 PolarHBondContact O-N 3.2Å; R110-A113 PolarHBondContact O-N 3.4Å; R110-H114 PolarHBondContact O-CD2 2.99Å; R110-H114 PolarHBondContact O-N 3.33Å
111	I	97.2	Very high	89.7	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-57.7	-47.1	174.1	-65.3	-52.8	0	0	0	111	I4 F21 I47 I49 V75 L107 G108 A113 H114 L115	I4-I111 HydrophobicContact CD1-CG2 3.9Å; F21-I111 HydrophobicContact CE1-CB 4.1Å; F21-I111 HydrophobicContact CE1-CG1 4.06Å; F21-I111 HydrophobicContact CE1-CG2 4.05Å; F21-I111 HydrophobicContact CZ-CB 4.28Å; F21-I111 HydrophobicContact CZ-CG1 3.74Å; I47-I111 HydrophobicContact CD1-CB 4.49Å; I47-I111 HydrophobicContact CD1-CD1 3.51Å; I47-I111 HydrophobicContact CD1-CG2 4.26Å; I47-I111 HydrophobicContact CG1-CD1 4.01Å; I47-I111 HydrophobicContact CG2-CG2 4.1Å; I49-I111 HydrophobicContact CD1-CD1 3.8Å; I49-I111 HydrophobicContact CD1-CG1 3.99Å; I49-I111 HydrophobicContact CG1-CD1 3.7Å; I49-I111 HydrophobicContact CG1-CG1 4.44Å; V75-I111 HydrophobicContact CB-CD1 4.33Å; V75-I111 HydrophobicContact CG2-CD1 3.95Å; L107-I111 HydrophobicContact CD1-CD1 4.49Å; L107-I111 HydrophobicContact CD1-CG1 4.29Å; L107-I111 HydrophobicContact CG-CG1 4.46Å; L107-I111 VanDerWaalsContact O-CG1 3.29Å; L107-I111 WeakPolarHBondContact O-CG1 3.42Å; L107-I111 PolarHBondContact O-N 3Å; G108-I111 PolarHBondContact O-N 3.07Å; I111-A113 VanDerWaalsContact C-N 3.33Å; I111-A113 PolarHBondContact O-N 2.84Å; I111-H114 PolarHBondContact O-N 2.87Å; I111-L115 HydrophobicContact CG2-CD1 3.95Å; I111-L115 WeakPolarHBondContact O-CG 3.37Å; I111-L115 PolarHBondContact O-N 3.38Å
112	E	94.6	Very high	88.3	Confident	88 Å²	88	69.8 Å²	69.8	41%	0.411	32%	0.324	S	S	.	.	H	α-helix	trans	-61.5	-40.8	176.9	-164.5	-160.9	144.9	0	0	112.1	G108 R110 L115 R116	G108-E112 WeakPolarHBondContact O-CB 3.17Å; G108-E112 PolarHBondContact O-N 2.98Å; R110-E112 VanDerWaalsContact C-N 3.33Å; R110-E112 PolarHBondContact O-N 3.2Å; E112-L115 PolarHBondContact O-N 3.03Å; E112-R116 WeakPolarHBondContact O-CB 3.37Å; E112-R116 PolarHBondContact O-N 3.44Å; E112-R116 IonicContact OE1-NH1 2.69Å; E112-R116 PolarHBondContact OE1-NH1 2.89Å
113	A	92.6	Very high	86.5	Confident	36 Å²	36	72.9 Å²	72.9	30%	0.298	35%	0.346	S	S	.	.	H	α-helix	trans	-63.3	-42.6	179.4	0	0	0	0	0	112.8	L109 R110 I111 R117	L109-A113 WeakPolarHBondContact O-CB 3.34Å; L109-A113 PolarHBondContact O-N 3.4Å; R110-A113 PolarHBondContact O-N 3.4Å; I111-A113 VanDerWaalsContact C-N 3.33Å; I111-A113 PolarHBondContact O-N 2.84Å; A113-R117 PolarHBondContact O-N 3.33Å
114	H	92.7	Very high	84.7	Confident	22 Å²	22	72.4 Å²	72.4	10%	0.102	35%	0.347	C	S	.	.	H	α-helix	trans	-66.1	-48.5	175.7	-76.5	-61.1	0	0	0	111.9	I47 P73 D95 D96 R110 I111 R116 R117 E118	I47-H114 HydrophobicContact CD1-CB 3.66Å; P73-H114 HydrophobicContact CB-CB 4.12Å; P73-H114 HydrophobicContact CG-CB 4.12Å; D95-H114 PolarHBondContact O-CE1 3.26Å; D96-H114 VanDerWaalsContact CB-NE2 3.34Å; D96-H114 WeakPolarHBondContact CB-NE2 3.29Å; D96-H114 IonicContact OD2-NE2 2.77Å; D96-H114 PolarHBondContact OD2-NE2 2.93Å; R110-H114 PolarHBondContact O-CD2 2.99Å; R110-H114 PolarHBondContact O-N 3.33Å; I111-H114 PolarHBondContact O-N 2.87Å; H114-R116 VanDerWaalsContact C-N 3.29Å; H114-R116 PolarHBondContact O-N 3.36Å; H114-R117 WeakPolarHBondContact O-CA 3.35Å; H114-R117 WeakPolarHBondContact O-CB 3.45Å; H114-R117 PolarHBondContact O-N 3.49Å; H114-E118 PolarHBondContact O-N 3.02Å
115	L	91.7	Very high	82.9	Confident	7 Å²	7	76.3 Å²	76.3	4%	0.037	36%	0.358	C	S	.	.	H	α-helix	trans	-61.2	-37.7	177.2	-70.1	175.5	0	0	0	112.2	K2 Y26 D46 I47 I111 E112 R117 E118 N119	K2-L115 HydrophobicContact CB-CD1 4.29Å; K2-L115 HydrophobicContact CD-CD2 4.42Å; K2-L115 HydrophobicContact CG-CD1 4.45Å; Y26-L115 HydrophobicContact CD1-CD1 4.42Å; Y26-L115 HydrophobicContact CE1-CD1 3.53Å; D46-L115 HydrophobicContact CB-CD2 3.68Å; I47-L115 HydrophobicContact CB-CD2 4.05Å; I47-L115 HydrophobicContact CG2-CD1 4.3Å; I47-L115 HydrophobicContact CG2-CD2 4.06Å; I47-L115 HydrophobicContact CG2-CG 4.3Å; I111-L115 HydrophobicContact CG2-CD1 3.95Å; I111-L115 WeakPolarHBondContact O-CG 3.37Å; I111-L115 PolarHBondContact O-N 3.38Å; E112-L115 PolarHBondContact O-N 3.03Å; L115-R117 VanDerWaalsContact C-N 3.33Å; L115-E118 PolarHBondContact O-N 3.41Å; L115-N119 WeakPolarHBondContact O-CB 3.22Å; L115-N119 VanDerWaalsContact O-CG 3.28Å; L115-N119 PolarHBondContact O-N 3.17Å; L115-N119 PolarHBondContact O-ND2 2.98Å
116	R	87.1	Confident	82.1	Confident	117 Å²	117	75 Å²	75	44%	0.442	35%	0.352	S	S	.	.	H	α-helix	trans	-65.1	-36.2	173.2	-175.8	173.3	62	-111.5	-2.3	111.9	E112 H114 R120	E112-R116 WeakPolarHBondContact O-CB 3.37Å; E112-R116 PolarHBondContact O-N 3.44Å; E112-R116 IonicContact OE1-NH1 2.69Å; E112-R116 PolarHBondContact OE1-NH1 2.89Å; H114-R116 VanDerWaalsContact C-N 3.29Å; H114-R116 PolarHBondContact O-N 3.36Å; R116-R120 WeakPolarHBondContact O-CG 3.29Å; R116-R120 PolarHBondContact O-N 3.46Å
117	R	80.7	Confident	81.4	Confident	138 Å²	138	73.8 Å²	73.8	52%	0.521	35%	0.347	S	S	.	.	H	α-helix	trans	-66.8	-43.6	174.8	-170.2	179.8	-175.8	179.9	-0.6	111.3	A113 H114 L115 R120 K121	A113-R117 PolarHBondContact O-N 3.33Å; H114-R117 WeakPolarHBondContact O-CA 3.35Å; H114-R117 WeakPolarHBondContact O-CB 3.45Å; H114-R117 PolarHBondContact O-N 3.49Å; L115-R117 VanDerWaalsContact C-N 3.33Å; R117-R120 WeakPolarHBondContact O-CB 3.44Å; R117-R120 PolarHBondContact O-N 2.74Å; R117-K121 PolarHBondContact O-N 3.16Å
118	E	79.3	Confident	81	Confident	27 Å²	27	76.1 Å²	76.1	13%	0.126	36%	0.362	C	S	.	.	H	α-helix	trans	-66.1	-42.6	177	-68.6	-49.5	114.2	0	0	112.4	P73 H114 L115 R120 K121 Q122	P73-E118 HydrophobicContact CG-CG 3.55Å; H114-E118 PolarHBondContact O-N 3.02Å; L115-E118 PolarHBondContact O-N 3.41Å; E118-R120 VanDerWaalsContact C-N 3.28Å; E118-R120 PolarHBondContact O-N 2.99Å; E118-K121 WeakPolarHBondContact O-CB 3.5Å; E118-K121 PolarHBondContact O-N 3.31Å; E118-K121 WeakPolarHBondContact OE1-CE 3.4Å; E118-K121 IonicContact OE1-NZ 2.73Å; E118-K121 PolarHBondContact OE1-NZ 2.95Å; E118-K121 IonicContact OE2-NZ 3.15Å; E118-Q122 WeakPolarHBondContact O-CG 3.02Å; E118-Q122 PolarHBondContact O-N 3.05Å
119	N	74.5	Confident	80.7	Confident	59 Å²	59	83.1 Å²	83.1	32%	0.316	39%	0.386	S	S	.	.	H	α-helix	trans	-60.7	-37.3	172.1	-71.9	-21.6	0	0	0	111.3	K2 L115 K121 Q122 S123	K2-N119 VanDerWaalsContact CE-OD1 3.29Å; K2-N119 WeakPolarHBondContact CE-OD1 3.48Å; K2-N119 PolarHBondContact NZ-OD1 2.77Å; L115-N119 WeakPolarHBondContact O-CB 3.22Å; L115-N119 VanDerWaalsContact O-CG 3.28Å; L115-N119 PolarHBondContact O-N 3.17Å; L115-N119 PolarHBondContact O-ND2 2.98Å; N119-K121 VanDerWaalsContact C-N 3.34Å; N119-K121 PolarHBondContact O-N 3.32Å; N119-Q122 PolarHBondContact O-N 3.05Å; N119-S123 WeakPolarHBondContact O-CA 3.1Å; N119-S123 WeakPolarHBondContact O-CB 3.34Å; N119-S123 PolarHBondContact O-N 3.47Å; N119-S123 PolarHBondContact O-OG 3.34Å
120	R	70.7	Confident	80.5	Confident	158 Å²	158	79.3 Å²	79.3	60%	0.596	37%	0.365	S	S	*	.	H	α-helix	trans	-66.8	-30.6	173.4	-77.3	-175.7	-61.6	-179.5	2.9	113.2	R116 R117 E118 A124	R116-R120 WeakPolarHBondContact O-CG 3.29Å; R116-R120 PolarHBondContact O-N 3.46Å; R117-R120 WeakPolarHBondContact O-CB 3.44Å; R117-R120 PolarHBondContact O-N 2.74Å; E118-R120 VanDerWaalsContact C-N 3.28Å; E118-R120 PolarHBondContact O-N 2.99Å; R120-A124 WeakPolarHBondContact O-CA 3.49Å; R120-A124 WeakPolarHBondContact O-CB 3.28Å; R120-A124 PolarHBondContact O-N 3.22Å
121	K	66.6	Low	80.1	Confident	123 Å²	123	81.6 Å²	81.6	54%	0.535	38%	0.384	S	S	.	.	H	α-helix	trans	-71	-38.4	172.9	-68.4	176.1	-176.4	163.7	0	111.4	R117 E118 N119	R117-K121 PolarHBondContact O-N 3.16Å; E118-K121 WeakPolarHBondContact O-CB 3.5Å; E118-K121 PolarHBondContact O-N 3.31Å; E118-K121 WeakPolarHBondContact OE1-CE 3.4Å; E118-K121 IonicContact OE1-NZ 2.73Å; E118-K121 PolarHBondContact OE1-NZ 2.95Å; E118-K121 IonicContact OE2-NZ 3.15Å; N119-K121 VanDerWaalsContact C-N 3.34Å; N119-K121 PolarHBondContact O-N 3.32Å
122	Q	63	Low	79.9	Confident	130 Å²	130	85.2 Å²	85.2	61%	0.607	40%	0.401	S	S	*	.	H	α-helix	trans	-77.8	-34.5	178	-66.7	177.3	9.5	0	0	113.2	E118 N119	E118-Q122 WeakPolarHBondContact O-CG 3.02Å; E118-Q122 PolarHBondContact O-N 3.05Å; N119-Q122 PolarHBondContact O-N 3.05Å
123	S	55	Low	80	Confident	84 Å²	84	81 Å²	81	59%	0.587	38%	0.381	S	S	*	.	H	α-helix	trans	-101.1	2.1	-179.1	-55.3	0	0	0	0	113.1	N119 R125	N119-S123 WeakPolarHBondContact O-CA 3.1Å; N119-S123 WeakPolarHBondContact O-CB 3.34Å; N119-S123 PolarHBondContact O-N 3.47Å; N119-S123 PolarHBondContact O-OG 3.34Å; S123-R125 PolarHBondContact O-N 3.01Å
124	A	56.6	Low	80.1	Confident	57 Å²	57	80.9 Å²	80.9	47%	0.471	38%	0.375	S	S	.	.	S	Bend	trans	-60	95.6	160.3	0	0	0	0	0	103.6	R120 K126	R120-A124 WeakPolarHBondContact O-CA 3.49Å; R120-A124 WeakPolarHBondContact O-CB 3.28Å; R120-A124 PolarHBondContact O-N 3.22Å; A124-K126 PolarHBondContact O-N 3.19Å
125	R	57.3	Low	80.2	Confident	141 Å²	141	79.9 Å²	79.9	53%	0.532	37%	0.37	S	S	.	.			trans	-45.7	123	179.8	-71.4	-179.6	170.2	-178.3	-4.5	105.3	S123 I127 D136 D138	S123-R125 PolarHBondContact O-N 3.01Å; R125-I127 HydrophobicContact CB-CD1 3.57Å; R125-I127 HydrophobicContact CB-CG1 3.6Å; R125-I127 HydrophobicContact CG-CD1 4.38Å; R125-I127 PolarHBondContact O-N 3.02Å; R125-D136 WeakPolarHBondContact CD-OD2 3.34Å; R125-D136 IonicContact NE-OD2 2.71Å; R125-D136 IonicContact NH1-OD2 2.76Å; R125-D138 WeakPolarHBondContact CA-OD2 3.22Å
126	K	78.2	Confident	80.1	Confident	124 Å²	124	79.6 Å²	79.6	54%	0.539	37%	0.368	S	S	.	.			trans	-70	83.2	177.3	-61.3	179.6	179.7	174	0	106.1	A124 Y137 D138	A124-K126 PolarHBondContact O-N 3.19Å; K126-Y137 HydrophobicContact CB-CD2 3.66Å; K126-Y137 HydrophobicContact CB-CG 4.35Å; K126-Y137 WeakPolarHBondContact O-CD2 3.21Å; K126-Y137 PolarHBondContact O-N 3.38Å; K126-D138 PolarHBondContact N-OD2 3.43Å
127	I	83.3	Confident	80.2	Confident	52 Å²	52	74.6 Å²	74.6	27%	0.267	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	126.2	179.8	-64.1	171.7	0	0	0	106.8	R125 Y129 M134 I135 D136	R125-I127 HydrophobicContact CB-CD1 3.57Å; R125-I127 HydrophobicContact CB-CG1 3.6Å; R125-I127 HydrophobicContact CG-CD1 4.38Å; R125-I127 PolarHBondContact O-N 3.02Å; I127-Y129 HydrophobicContact CG2-CD2 4.14Å; I127-Y129 HydrophobicContact CG2-CE2 3.56Å; I127-M134 HydrophobicContact CG2-CG 3.4Å; I127-M134 VanDerWaalsContact CG2-CG 3.4Å; I127-M134 HydrophobicContact CG2-SD 3.91Å; I127-I135 CarbonylContact C-O 3.53Å; I127-I135 WeakPolarHBondContact CA-O 3.08Å; I127-D136 HydrophobicContact CG1-CB 4.01Å
128	T	89.6	Confident	80.3	Confident	49 Å²	49	71.8 Å²	71.8	30%	0.301	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.8	172	-56.4	0	0	0	0	109.1	F130 M134 I135 Y137	T128-F130 HydrophobicContact CG2-CD2 4.24Å; T128-F130 HydrophobicContact CG2-CE1 4.19Å; T128-F130 HydrophobicContact CG2-CE2 3.56Å; T128-F130 HydrophobicContact CG2-CZ 3.55Å; T128-M134 WeakPolarHBondContact O-CA 3.24Å; T128-I135 PolarHBondContact N-O 2.98Å; T128-I135 PolarHBondContact O-N 2.86Å; T128-Y137 VanDerWaalsContact OG1-CE2 3.28Å; T128-Y137 WeakPolarHBondContact OG1-CE2 3.45Å; T128-Y137 PolarHBondContact OG1-OH 3.41Å
129	Y	90.4	Very high	80.4	Confident	156 Å²	156	75.3 Å²	75.3	61%	0.612	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.3	174.4	-65.7	-89.8	0	0	0	109.1	I127 L133 M134	I127-Y129 HydrophobicContact CG2-CD2 4.14Å; I127-Y129 HydrophobicContact CG2-CE2 3.56Å; Y129-L133 CarbonylContact C-O 3.54Å; Y129-L133 WeakPolarHBondContact CA-O 3.24Å; Y129-M134 HydrophobicContact CD1-CB 3.81Å; Y129-M134 HydrophobicContact CD1-CG 3.89Å; Y129-M134 HydrophobicContact CE1-CB 3.66Å; Y129-M134 HydrophobicContact CE1-CG 3.42Å; Y129-M134 VanDerWaalsContact CE1-CG 3.42Å; Y129-M134 HydrophobicContact CE1-SD 3.92Å; Y129-M134 HydrophobicContact CE2-CG 4.46Å
130	F	91.9	Very high	80.9	Confident	17 Å²	17	77.9 Å²	77.9	8%	0.075	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	86	169.4	-63.8	-75	0	0	0	106.3	T128 E132 L133 I135 S163 Y210 W221 G223	T128-F130 HydrophobicContact CG2-CD2 4.24Å; T128-F130 HydrophobicContact CG2-CE1 4.19Å; T128-F130 HydrophobicContact CG2-CE2 3.56Å; T128-F130 HydrophobicContact CG2-CZ 3.55Å; F130-E132 PolarHBondContact O-N 3Å; F130-E132 VanDerWaalsContact O-N 3.12Å; F130-L133 HydrophobicContact CB-CB 4.32Å; F130-L133 PolarHBondContact N-O 3.29Å; F130-L133 WeakPolarHBondContact O-CB 3.27Å; F130-L133 PolarHBondContact O-N 3.5Å; F130-I135 HydrophobicContact CD2-CD1 3.88Å; F130-I135 HydrophobicContact CD2-CG1 4.24Å; F130-I135 HydrophobicContact CE2-CD1 3.65Å; F130-I135 HydrophobicContact CE2-CG1 4.29Å; F130-S163 WeakPolarHBondContact CZ-O 3.34Å; F130-Y210 HydrophobicContact CB-CD1 4.16Å; F130-Y210 HydrophobicContact CB-CE1 3.91Å; F130-W221 AromaticContact CD1-CD1 3.91Å; F130-W221 AromaticContact CD1-NE1 3.14Å; F130-W221 AromaticContact CD2-CE2 3.91Å; F130-W221 AromaticContact CD2-CZ2 3.69Å; F130-W221 HydrophobicContact CD2-CZ2 3.69Å; F130-W221 AromaticContact CD2-NE1 3.64Å; F130-W221 AromaticContact CE1-CD1 3.49Å; F130-W221 VanDerWaalsContact CE1-CD1 3.49Å; F130-W221 AromaticContact CE1-NE1 3.06Å; F130-W221 AromaticContact CE2-CE2 3.9Å; F130-W221 AromaticContact CE2-CZ2 3.95Å; F130-W221 HydrophobicContact CE2-CZ2 3.95Å; F130-W221 AromaticContact CE2-NE1 3.58Å; F130-W221 HydrophobicContact CG-CZ2 4.06Å; F130-W221 AromaticContact CG-NE1 3.42Å; F130-W221 AromaticContact CZ-CD1 3.81Å; F130-W221 AromaticContact CZ-CE2 4Å; F130-W221 AromaticContact CZ-NE1 3.28Å; F130-W221 VanDerWaalsContact CZ-NE1 3.28Å; F130-G223 WeakPolarHBondContact CB-OXT 3.41Å; F130-G223 VanDerWaalsContact CD1-C 3.46Å; F130-G223 WeakPolarHBondContact CD1-O 3.44Å
131	D	89.4	Confident	81.9	Confident	128 Å²	128	71.6 Å²	71.6	68%	0.684	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	-114	-169.9	-161.4	26	0	0	0	111
132	E	93.8	Very high	83.2	Confident	76 Å²	76	65.8 Å²	65.8	36%	0.355	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-7.2	-179.3	-64.6	-84.6	-145.3	0	0	113.8	F130 Y144 R145	F130-E132 PolarHBondContact O-N 3Å; F130-E132 VanDerWaalsContact O-N 3.12Å; E132-Y144 HydrophobicContact CB-CD2 4.01Å; E132-Y144 HydrophobicContact CB-CE2 3.51Å; E132-Y144 WeakPolarHBondContact O-CA 3.09Å; E132-R145 HydrophobicContact CB-CG 4.01Å; E132-R145 VanDerWaalsContact CD-NE 3.31Å; E132-R145 HydrophobicContact CG-CG 4.32Å; E132-R145 PolarHBondContact O-N 3.22Å; E132-R145 VanDerWaalsContact O-N 3.07Å; E132-R145 IonicContact OE1-CZ 3.32Å; E132-R145 VanDerWaalsContact OE1-CZ 3.32Å; E132-R145 IonicContact OE1-NE 3.4Å; E132-R145 PolarHBondContact OE1-NE 2.89Å; E132-R145 IonicContact OE1-NH2 2.84Å; E132-R145 PolarHBondContact OE1-NH2 2.67Å; E132-R145 WeakPolarHBondContact OE2-CG 3.34Å; E132-R145 IonicContact OE2-NE 2.82Å
133	L	95.8	Very high	84.7	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	126.4	175.5	-175.3	75.3	0	0	0	110.3	Y129 F130 I135 L142 F143 Y144 I149 L202 Y210 W221	Y129-L133 CarbonylContact C-O 3.54Å; Y129-L133 WeakPolarHBondContact CA-O 3.24Å; F130-L133 HydrophobicContact CB-CB 4.32Å; F130-L133 PolarHBondContact N-O 3.29Å; F130-L133 WeakPolarHBondContact O-CB 3.27Å; F130-L133 PolarHBondContact O-N 3.5Å; L133-I135 HydrophobicContact CD2-CG1 4.48Å; L133-L142 HydrophobicContact CD1-CD2 4.39Å; L133-F143 CarbonylContact C-O 3.56Å; L133-F143 WeakPolarHBondContact CA-O 3.44Å; L133-Y144 HydrophobicContact CB-CD2 4.21Å; L133-Y144 HydrophobicContact CD1-CD2 4.43Å; L133-I149 HydrophobicContact CD1-CD1 4.04Å; L133-L202 HydrophobicContact CD1-CD2 4Å; L133-L202 HydrophobicContact CD2-CD2 4.26Å; L133-Y210 HydrophobicContact CB-CD1 4.46Å; L133-Y210 HydrophobicContact CB-CE1 3.59Å; L133-Y210 HydrophobicContact CD2-CD1 3.52Å; L133-Y210 HydrophobicContact CD2-CD2 4.26Å; L133-Y210 HydrophobicContact CD2-CE1 3.51Å; L133-Y210 HydrophobicContact CD2-CE2 4.24Å; L133-Y210 HydrophobicContact CD2-CG 3.94Å; L133-Y210 HydrophobicContact CG-CE1 4.17Å; L133-W221 HydrophobicContact CD2-CH2 3.89Å; L133-W221 HydrophobicContact CD2-CZ2 3.78Å
134	M	94.3	Very high	86.7	Confident	34 Å²	34	59.4 Å²	59.4	17%	0.167	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133.2	174.6	-175.7	-160.4	82.2	0	0	109.6	I127 T128 Y129 D136 L142 F143	I127-M134 HydrophobicContact CG2-CG 3.4Å; I127-M134 VanDerWaalsContact CG2-CG 3.4Å; I127-M134 HydrophobicContact CG2-SD 3.91Å; T128-M134 WeakPolarHBondContact O-CA 3.24Å; Y129-M134 HydrophobicContact CD1-CB 3.81Å; Y129-M134 HydrophobicContact CD1-CG 3.89Å; Y129-M134 HydrophobicContact CE1-CB 3.66Å; Y129-M134 HydrophobicContact CE1-CG 3.42Å; Y129-M134 VanDerWaalsContact CE1-CG 3.42Å; Y129-M134 HydrophobicContact CE1-SD 3.92Å; Y129-M134 HydrophobicContact CE2-CG 4.46Å; M134-D136 HydrophobicContact CE-CB 4.44Å; M134-L142 CarbonylContact O-C 3.59Å; M134-L142 WeakPolarHBondContact O-CA 3.48Å; M134-F143 HydrophobicContact CB-CB 4.38Å; M134-F143 HydrophobicContact CE-CB 4.03Å; M134-F143 HydrophobicContact CE-CD2 3.27Å; M134-F143 HydrophobicContact CE-CE2 3.99Å; M134-F143 HydrophobicContact CE-CG 3.91Å; M134-F143 PolarHBondContact N-O 3.45Å; M134-F143 PolarHBondContact O-N 3.17Å
135	I	94.5	Very high	88.4	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120.6	174.4	-46.6	-175.3	0	0	0	108.4	I127 T128 F130 L133 Y137 L142 F156 V159 W221	I127-I135 CarbonylContact C-O 3.53Å; I127-I135 WeakPolarHBondContact CA-O 3.08Å; T128-I135 PolarHBondContact N-O 2.98Å; T128-I135 PolarHBondContact O-N 2.86Å; F130-I135 HydrophobicContact CD2-CD1 3.88Å; F130-I135 HydrophobicContact CD2-CG1 4.24Å; F130-I135 HydrophobicContact CE2-CD1 3.65Å; F130-I135 HydrophobicContact CE2-CG1 4.29Å; L133-I135 HydrophobicContact CD2-CG1 4.48Å; I135-Y137 HydrophobicContact CB-CE1 4.18Å; I135-Y137 HydrophobicContact CG2-CD1 3.73Å; I135-Y137 HydrophobicContact CG2-CE1 3.5Å; I135-L142 HydrophobicContact CG1-CG 4.29Å; I135-L142 HydrophobicContact CG2-CD1 4.22Å; I135-L142 HydrophobicContact CG2-CG 4.48Å; I135-F156 HydrophobicContact CG2-CE2 4.04Å; I135-F156 HydrophobicContact CG2-CZ 4.08Å; I135-V159 HydrophobicContact CD1-CG1 3.7Å; I135-W221 HydrophobicContact CD1-CH2 4.04Å; I135-W221 HydrophobicContact CD1-CZ2 3.98Å
136	D	89.9	Confident	89.8	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	104.2	170.4	-174.8	-28.3	0	0	0	108.4	R125 I127 M134 D138 Q139 K140 V141	R125-D136 WeakPolarHBondContact CD-OD2 3.34Å; R125-D136 IonicContact NE-OD2 2.71Å; R125-D136 IonicContact NH1-OD2 2.76Å; I127-D136 HydrophobicContact CG1-CB 4.01Å; M134-D136 HydrophobicContact CE-CB 4.44Å; D136-D138 VanDerWaalsContact C-N 3.29Å; D136-D138 PolarHBondContact O-N 3.12Å; D136-D138 PolarHBondContact OD1-N 3.18Å; D136-D138 VanDerWaalsContact OD1-N 3.07Å; D136-Q139 HydrophobicContact CB-CB 4.29Å; D136-Q139 PolarHBondContact OD1-N 3.36Å; D136-Q139 PolarHBondContact OD2-NE2 2.67Å; D136-K140 VanDerWaalsContact O-CA 3.31Å; D136-K140 WeakPolarHBondContact O-CA 3.38Å; D136-K140 PolarHBondContact O-N 3Å; D136-V141 HydrophobicContact CB-CG2 3.81Å; D136-V141 PolarHBondContact N-O 3.45Å; D136-V141 PolarHBondContact O-N 2.77Å; D136-V141 VanDerWaalsContact O-N 3.16Å
137	Y	89	Confident	90.6	Very high	12 Å²	12	67 Å²	67	5%	0.047	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-25.1	-177.1	-55.7	-64.6	0	0	0	113.2	K126 T128 I135 K140 F156 E160 S163 K164	K126-Y137 HydrophobicContact CB-CD2 3.66Å; K126-Y137 HydrophobicContact CB-CG 4.35Å; K126-Y137 WeakPolarHBondContact O-CD2 3.21Å; K126-Y137 PolarHBondContact O-N 3.38Å; T128-Y137 VanDerWaalsContact OG1-CE2 3.28Å; T128-Y137 WeakPolarHBondContact OG1-CE2 3.45Å; T128-Y137 PolarHBondContact OG1-OH 3.41Å; I135-Y137 HydrophobicContact CB-CE1 4.18Å; I135-Y137 HydrophobicContact CG2-CD1 3.73Å; I135-Y137 HydrophobicContact CG2-CE1 3.5Å; Y137-K140 WeakPolarHBondContact O-CG 3.49Å; Y137-F156 HydrophobicContact CD1-CZ 4.22Å; Y137-E160 HydrophobicContact CD1-CB 4.21Å; Y137-E160 HydrophobicContact CD1-CG 3.87Å; Y137-E160 HydrophobicContact CE1-CB 4.41Å; Y137-E160 HydrophobicContact CE1-CG 4.28Å; Y137-S163 VanDerWaalsContact CE1-OG 3.26Å; Y137-S163 WeakPolarHBondContact CE1-OG 3.31Å; Y137-S163 PolarHBondContact OH-OG 3.17Å; Y137-K164 HydrophobicContact CE1-CG 4.07Å; Y137-K164 HydrophobicContact CE2-CG 4.15Å
138	D	83.3	Confident	91.2	Very high	80 Å²	80	67.2 Å²	67.2	43%	0.428	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-43	-178	-63.3	-33.7	0	0	0	110.7	R125 K126 D136 K140	R125-D138 WeakPolarHBondContact CA-OD2 3.22Å; K126-D138 PolarHBondContact N-OD2 3.43Å; D136-D138 VanDerWaalsContact C-N 3.29Å; D136-D138 PolarHBondContact O-N 3.12Å; D136-D138 PolarHBondContact OD1-N 3.18Å; D136-D138 VanDerWaalsContact OD1-N 3.07Å; D138-K140 VanDerWaalsContact C-N 3.3Å
139	Q	82	Confident	91.6	Very high	100 Å²	100	65.1 Å²	65.1	47%	0.467	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-13.8	172.5	-73	-171.8	86.5	0	0	113.5	D136 V141	D136-Q139 HydrophobicContact CB-CB 4.29Å; D136-Q139 PolarHBondContact OD1-N 3.36Å; D136-Q139 PolarHBondContact OD2-NE2 2.67Å; Q139-V141 HydrophobicContact CB-CG2 3.66Å
140	K	85.2	Confident	91.7	Very high	113 Å²	113	65.5 Å²	65.5	49%	0.491	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	46.5	-176.3	-56.8	-171.9	176.1	-170	0	113.9	D136 Y137 D138 F156	D136-K140 VanDerWaalsContact O-CA 3.31Å; D136-K140 WeakPolarHBondContact O-CA 3.38Å; D136-K140 PolarHBondContact O-N 3Å; Y137-K140 WeakPolarHBondContact O-CG 3.49Å; D138-K140 VanDerWaalsContact C-N 3.3Å; K140-F156 VanDerWaalsContact C-CD2 3.49Å; K140-F156 VanDerWaalsContact CA-CE2 3.45Å; K140-F156 HydrophobicContact CB-CD1 3.84Å; K140-F156 HydrophobicContact CB-CD2 4.27Å; K140-F156 HydrophobicContact CB-CE1 3.74Å; K140-F156 HydrophobicContact CB-CE2 4.17Å; K140-F156 HydrophobicContact CB-CG 4.15Å; K140-F156 HydrophobicContact CB-CZ 3.96Å; K140-F156 HydrophobicContact CD-CD1 4.33Å; K140-F156 HydrophobicContact CD-CE1 4.4Å; K140-F156 HydrophobicContact CG-CD1 4.07Å; K140-F156 HydrophobicContact CG-CE1 3.75Å; K140-F156 HydrophobicContact CG-CZ 4.28Å; K140-F156 WeakPolarHBondContact O-CD2 3.44Å
141	V	90.3	Very high	91.7	Very high	26 Å²	26	66.3 Å²	66.3	16%	0.158	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.9	-176.2	-67.7	0	0	0	0	111.9	D136 Q139 F143	D136-V141 HydrophobicContact CB-CG2 3.81Å; D136-V141 PolarHBondContact N-O 3.45Å; D136-V141 PolarHBondContact O-N 2.77Å; D136-V141 VanDerWaalsContact O-N 3.16Å; Q139-V141 HydrophobicContact CB-CG2 3.66Å; V141-F143 HydrophobicContact CB-CE2 3.97Å; V141-F143 HydrophobicContact CG2-CD2 4.25Å; V141-F143 HydrophobicContact CG2-CE2 3.6Å
142	L	94.8	Very high	91.7	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	140.7	174.4	-83.1	71.4	0	0	0	109.2	L133 M134 I135 E148 I149 L151 F156 V159 L202	L133-L142 HydrophobicContact CD1-CD2 4.39Å; M134-L142 CarbonylContact O-C 3.59Å; M134-L142 WeakPolarHBondContact O-CA 3.48Å; I135-L142 HydrophobicContact CG1-CG 4.29Å; I135-L142 HydrophobicContact CG2-CD1 4.22Å; I135-L142 HydrophobicContact CG2-CG 4.48Å; L142-E148 CarbonylContact O-C 3.57Å; L142-E148 WeakPolarHBondContact O-CA 3.25Å; L142-I149 HydrophobicContact CB-CB 4.04Å; L142-I149 PolarHBondContact O-N 2.8Å; L142-L151 HydrophobicContact CD1-CD1 3.62Å; L142-L151 HydrophobicContact CD1-CG 4.25Å; L142-L151 HydrophobicContact CD2-CD1 3.7Å; L142-L151 HydrophobicContact CD2-CG 4.31Å; L142-L151 HydrophobicContact CG-CD1 4.29Å; L142-F156 HydrophobicContact CD1-CD2 3.42Å; L142-F156 VanDerWaalsContact CD1-CD2 3.42Å; L142-F156 HydrophobicContact CD1-CE2 3.44Å; L142-F156 VanDerWaalsContact CD1-CE2 3.44Å; L142-V159 HydrophobicContact CD1-CG1 4.33Å; L142-V159 HydrophobicContact CD2-CG1 4.22Å; L142-L202 HydrophobicContact CD2-CD2 4.13Å
143	F	95.2	Very high	91.2	Very high	52 Å²	52	68 Å²	68	23%	0.228	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.3	170.8	-69.4	-98.9	0	0	0	110.2	L133 M134 V141 Q147 E148	L133-F143 CarbonylContact C-O 3.56Å; L133-F143 WeakPolarHBondContact CA-O 3.44Å; M134-F143 HydrophobicContact CB-CB 4.38Å; M134-F143 HydrophobicContact CE-CB 4.03Å; M134-F143 HydrophobicContact CE-CD2 3.27Å; M134-F143 HydrophobicContact CE-CE2 3.99Å; M134-F143 HydrophobicContact CE-CG 3.91Å; M134-F143 PolarHBondContact N-O 3.45Å; M134-F143 PolarHBondContact O-N 3.17Å; V141-F143 HydrophobicContact CB-CE2 3.97Å; V141-F143 HydrophobicContact CG2-CD2 4.25Å; V141-F143 HydrophobicContact CG2-CE2 3.6Å; F143-Q147 CarbonylContact C-O 3.51Å; F143-Q147 VanDerWaalsContact CA-O 3.24Å; F143-Q147 WeakPolarHBondContact CA-O 3.31Å; F143-E148 HydrophobicContact CD1-CB 4.02Å; F143-E148 HydrophobicContact CE1-CB 3.69Å; F143-E148 HydrophobicContact CE1-CG 4.23Å; F143-E148 HydrophobicContact CZ-CB 4.14Å; F143-E148 HydrophobicContact CZ-CG 4.18Å
144	Y	95.9	Very high	90.9	Very high	29 Å²	29	69.9 Å²	69.9	11%	0.114	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	120.1	165.1	-175.6	-94.5	0	0	0	108.4	E132 L133 K146 Q147 Y205 S206 Y210	E132-Y144 HydrophobicContact CB-CD2 4.01Å; E132-Y144 HydrophobicContact CB-CE2 3.51Å; E132-Y144 WeakPolarHBondContact O-CA 3.09Å; L133-Y144 HydrophobicContact CB-CD2 4.21Å; L133-Y144 HydrophobicContact CD1-CD2 4.43Å; Y144-K146 PolarHBondContact O-N 2.91Å; Y144-Q147 PolarHBondContact N-O 3.07Å; Y144-Q147 WeakPolarHBondContact O-CB 3.24Å; Y144-Q147 PolarHBondContact O-N 2.72Å; Y144-Y205 WeakPolarHBondContact CD1-O 3.41Å; Y144-Y205 WeakPolarHBondContact CE1-O 3.49Å; Y144-S206 VanDerWaalsContact CE2-CB 3.43Å; Y144-S206 WeakPolarHBondContact CE2-OG 3.46Å; Y144-S206 VanDerWaalsContact CZ-CB 3.49Å; Y144-S206 PolarHBondContact OH-OG 2.86Å; Y144-S206 VanDerWaalsContact OH-OG 3.1Å; Y144-Y210 WeakPolarHBondContact CE2-OH 3.22Å
145	R	91.8	Very high	90.9	Very high	161 Å²	161	68.5 Å²	68.5	61%	0.608	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	43.3	-174.8	-65.8	-174.9	162.8	167.7	1.9	114	E132 Q147	E132-R145 HydrophobicContact CB-CG 4.01Å; E132-R145 VanDerWaalsContact CD-NE 3.31Å; E132-R145 HydrophobicContact CG-CG 4.32Å; E132-R145 PolarHBondContact O-N 3.22Å; E132-R145 VanDerWaalsContact O-N 3.07Å; E132-R145 IonicContact OE1-CZ 3.32Å; E132-R145 VanDerWaalsContact OE1-CZ 3.32Å; E132-R145 IonicContact OE1-NE 3.4Å; E132-R145 PolarHBondContact OE1-NE 2.89Å; E132-R145 IonicContact OE1-NH2 2.84Å; E132-R145 PolarHBondContact OE1-NH2 2.67Å; E132-R145 WeakPolarHBondContact OE2-CG 3.34Å; E132-R145 IonicContact OE2-NE 2.82Å; R145-Q147 PolarHBondContact O-N 2.93Å
146	K	88.3	Confident	90.8	Very high	199 Å²	199	68.7 Å²	68.7	87%	0.865	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	5	-177.2	-48	175.1	-179.6	176.3	0	115.7	Y144	Y144-K146 PolarHBondContact O-N 2.91Å
147	Q	94.8	Very high	90.9	Very high	120 Å²	120	69.7 Å²	69.7	56%	0.561	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	126.2	169.5	-164.5	179.4	-3.9	0	0	109.7	F143 Y144 R145 Y205	F143-Q147 CarbonylContact C-O 3.51Å; F143-Q147 VanDerWaalsContact CA-O 3.24Å; F143-Q147 WeakPolarHBondContact CA-O 3.31Å; Y144-Q147 PolarHBondContact N-O 3.07Å; Y144-Q147 WeakPolarHBondContact O-CB 3.24Å; Y144-Q147 PolarHBondContact O-N 2.72Å; R145-Q147 PolarHBondContact O-N 2.93Å; Q147-Y205 HydrophobicContact CB-CD1 4.4Å; Q147-Y205 HydrophobicContact CB-CE1 4.25Å; Q147-Y205 HydrophobicContact CG-CD1 4.32Å; Q147-Y205 HydrophobicContact CG-CE1 3.75Å
148	E	95.6	Very high	91.2	Very high	58 Å²	58	69.1 Å²	69.1	27%	0.271	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	135.2	-179.7	-169	173.5	169.9	0	0	111.5	L142 F143 Y150 Y205	L142-E148 CarbonylContact O-C 3.57Å; L142-E148 WeakPolarHBondContact O-CA 3.25Å; F143-E148 HydrophobicContact CD1-CB 4.02Å; F143-E148 HydrophobicContact CE1-CB 3.69Å; F143-E148 HydrophobicContact CE1-CG 4.23Å; F143-E148 HydrophobicContact CZ-CB 4.14Å; F143-E148 HydrophobicContact CZ-CG 4.18Å; E148-Y150 HydrophobicContact CB-CE2 4.45Å; E148-Y150 HydrophobicContact CG-CE1 4.31Å; E148-Y150 HydrophobicContact CG-CE2 4.48Å; E148-Y150 WeakPolarHBondContact OE1-CE1 3.28Å; E148-Y205 PolarHBondContact O-OH 2.78Å
149	I	97.1	Very high	91.8	Very high	4 Å²	4	65.3 Å²	65.3	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	110	172	-55	-175	0	0	0	108.1	L133 L142 L151 K201 L202 Y205	L133-I149 HydrophobicContact CD1-CD1 4.04Å; L142-I149 HydrophobicContact CB-CB 4.04Å; L142-I149 PolarHBondContact O-N 2.8Å; I149-L151 HydrophobicContact CG2-CD2 4.35Å; I149-L151 PolarHBondContact O-N 3.14Å; I149-K201 HydrophobicContact CG2-CB 4.27Å; I149-L202 HydrophobicContact CD1-CD2 3.87Å; I149-Y205 HydrophobicContact CB-CE2 4.38Å; I149-Y205 HydrophobicContact CD1-CD1 4.43Å; I149-Y205 HydrophobicContact CD1-CD2 3.72Å; I149-Y205 HydrophobicContact CD1-CE2 4.21Å; I149-Y205 HydrophobicContact CD1-CG 3.86Å; I149-Y205 HydrophobicContact CG1-CD1 4.15Å; I149-Y205 HydrophobicContact CG1-CD2 3.8Å; I149-Y205 HydrophobicContact CG1-CE1 4.07Å; I149-Y205 HydrophobicContact CG1-CE2 3.8Å; I149-Y205 HydrophobicContact CG1-CG 4Å; I149-Y205 HydrophobicContact CG2-CE2 4.12Å
150	Y	93	Very high	92.4	Very high	164 Å²	164	61.5 Å²	61.5	64%	0.643	28%	0.278	S	S	*	.			trans	-77.1	108.5	-176.7	-69	-80	0	0	0	112.4	E148 K201	E148-Y150 HydrophobicContact CB-CE2 4.45Å; E148-Y150 HydrophobicContact CG-CE1 4.31Å; E148-Y150 HydrophobicContact CG-CE2 4.48Å; E148-Y150 WeakPolarHBondContact OE1-CE1 3.28Å; Y150-K201 WeakPolarHBondContact O-CD 3.29Å; Y150-K201 PolarHBondContact O-NZ 3Å
151	L	92	Very high	92.9	Very high	34 Å²	34	56.5 Å²	56.5	18%	0.178	26%	0.256	C	S	.	.			trans	-101.4	146.9	170.4	-61.3	-169.3	0	0	0	111.2	L142 I149 E155 F156 V159 K201	L142-L151 HydrophobicContact CD1-CD1 3.62Å; L142-L151 HydrophobicContact CD1-CG 4.25Å; L142-L151 HydrophobicContact CD2-CD1 3.7Å; L142-L151 HydrophobicContact CD2-CG 4.31Å; L142-L151 HydrophobicContact CG-CD1 4.29Å; I149-L151 HydrophobicContact CG2-CD2 4.35Å; I149-L151 PolarHBondContact O-N 3.14Å; L151-E155 HydrophobicContact CB-CB 4.02Å; L151-E155 HydrophobicContact CD1-CB 4.45Å; L151-E155 HydrophobicContact CD2-CB 4.35Å; L151-F156 HydrophobicContact CB-CB 4.19Å; L151-F156 HydrophobicContact CD1-CB 4.46Å; L151-V159 HydrophobicContact CD1-CB 4.21Å; L151-V159 HydrophobicContact CD1-CG2 3.67Å; L151-K201 HydrophobicContact CD2-CB 4.31Å; L151-K201 HydrophobicContact CD2-CD 3.61Å
152	T	89.9	Confident	93.3	Very high	70 Å²	70	55.2 Å²	55.2	43%	0.429	25%	0.249	S	C	.	.			trans	-69.7	163	165.1	63.3	0	0	0	0	110.1	V154 E155 F156	T152-V154 VanDerWaalsContact C-N 3.28Å; T152-V154 PolarHBondContact O-N 3.33Å; T152-E155 WeakPolarHBondContact CB-OE2 3.45Å; T152-E155 WeakPolarHBondContact CG2-OE2 3.2Å; T152-E155 PolarHBondContact N-OE2 3.23Å; T152-E155 PolarHBondContact O-N 3.01Å; T152-E155 VanDerWaalsContact O-N 3.13Å; T152-E155 WeakPolarHBondContact OG1-CB 3.26Å; T152-E155 WeakPolarHBondContact OG1-CG 2.96Å; T152-E155 PolarHBondContact OG1-N 3.29Å; T152-E155 PolarHBondContact OG1-OE2 2.86Å; T152-F156 PolarHBondContact O-N 3.22Å
153	K	83.1	Confident	93.4	Very high	171 Å²	171	55.4 Å²	55.4	74%	0.743	25%	0.25	S	C	*	.	H	α-helix	trans	-51	-45.7	178.5	-174.9	-179.7	177.4	-176	0	112.9	S157	K153-S157 PolarHBondContact O-N 3.31Å; K153-S157 PolarHBondContact O-OG 3.04Å
154	V	88.8	Confident	93.3	Very high	39 Å²	39	56.6 Å²	56.6	24%	0.236	26%	0.255	C	S	.	.	H	α-helix	trans	-69.1	-43	-179.5	178.6	0	0	0	0	111.3	T152 F156 S157 I158 L179 W180	T152-V154 VanDerWaalsContact C-N 3.28Å; T152-V154 PolarHBondContact O-N 3.33Å; V154-F156 VanDerWaalsContact C-N 3.35Å; V154-F156 PolarHBondContact O-N 3.12Å; V154-S157 PolarHBondContact O-N 2.87Å; V154-I158 HydrophobicContact CG1-CD1 4.23Å; V154-I158 WeakPolarHBondContact O-CG1 3.3Å; V154-I158 PolarHBondContact O-N 3.27Å; V154-L179 HydrophobicContact CG1-CD1 4.04Å; V154-L179 HydrophobicContact CG1-CD2 4.5Å; V154-W180 HydrophobicContact CG1-CH2 3.88Å; V154-W180 HydrophobicContact CG1-CZ2 4.21Å; V154-W180 HydrophobicContact CG2-CZ2 4.2Å
155	E	93.9	Very high	93.2	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.019	27%	0.268	C	S	.	.	H	α-helix	trans	-62.6	-42.4	177.6	-70.8	164.8	164.7	0	0	111.7	L151 T152 I158 V159 R197 I198 K201	L151-E155 HydrophobicContact CB-CB 4.02Å; L151-E155 HydrophobicContact CD1-CB 4.45Å; L151-E155 HydrophobicContact CD2-CB 4.35Å; T152-E155 WeakPolarHBondContact CB-OE2 3.45Å; T152-E155 WeakPolarHBondContact CG2-OE2 3.2Å; T152-E155 PolarHBondContact N-OE2 3.23Å; T152-E155 PolarHBondContact O-N 3.01Å; T152-E155 VanDerWaalsContact O-N 3.13Å; T152-E155 WeakPolarHBondContact OG1-CB 3.26Å; T152-E155 WeakPolarHBondContact OG1-CG 2.96Å; T152-E155 PolarHBondContact OG1-N 3.29Å; T152-E155 PolarHBondContact OG1-OE2 2.86Å; E155-I158 PolarHBondContact O-N 3.44Å; E155-V159 PolarHBondContact O-N 3.03Å; E155-R197 VanDerWaalsContact OE1-CB 3.31Å; E155-R197 WeakPolarHBondContact OE1-CB 3.43Å; E155-I198 HydrophobicContact CB-CD1 4.17Å; E155-I198 HydrophobicContact CB-CG1 3.78Å; E155-I198 HydrophobicContact CG-CD1 4.39Å; E155-I198 HydrophobicContact CG-CG1 3.88Å; E155-K201 IonicContact OE1-NZ 2.91Å; E155-K201 IonicContact OE2-NZ 3.35Å; E155-K201 PolarHBondContact OE2-NZ 2.98Å
156	F	93.8	Very high	93.2	Very high	5 Å²	5	55.5 Å²	55.5	2%	0.022	27%	0.265	C	S	.	.	H	α-helix	trans	-62.1	-44.9	174.7	-175.6	-84.2	0	0	0	111.2	I135 Y137 K140 L142 L151 T152 V154 I158 V159 E160	I135-F156 HydrophobicContact CG2-CE2 4.04Å; I135-F156 HydrophobicContact CG2-CZ 4.08Å; Y137-F156 HydrophobicContact CD1-CZ 4.22Å; K140-F156 VanDerWaalsContact C-CD2 3.49Å; K140-F156 VanDerWaalsContact CA-CE2 3.45Å; K140-F156 HydrophobicContact CB-CD1 3.84Å; K140-F156 HydrophobicContact CB-CD2 4.27Å; K140-F156 HydrophobicContact CB-CE1 3.74Å; K140-F156 HydrophobicContact CB-CE2 4.17Å; K140-F156 HydrophobicContact CB-CG 4.15Å; K140-F156 HydrophobicContact CB-CZ 3.96Å; K140-F156 HydrophobicContact CD-CD1 4.33Å; K140-F156 HydrophobicContact CD-CE1 4.4Å; K140-F156 HydrophobicContact CG-CD1 4.07Å; K140-F156 HydrophobicContact CG-CE1 3.75Å; K140-F156 HydrophobicContact CG-CZ 4.28Å; K140-F156 WeakPolarHBondContact O-CD2 3.44Å; L142-F156 HydrophobicContact CD1-CD2 3.42Å; L142-F156 VanDerWaalsContact CD1-CD2 3.42Å; L142-F156 HydrophobicContact CD1-CE2 3.44Å; L142-F156 VanDerWaalsContact CD1-CE2 3.44Å; L151-F156 HydrophobicContact CB-CB 4.19Å; L151-F156 HydrophobicContact CD1-CB 4.46Å; T152-F156 PolarHBondContact O-N 3.22Å; V154-F156 VanDerWaalsContact C-N 3.35Å; V154-F156 PolarHBondContact O-N 3.12Å; F156-I158 VanDerWaalsContact C-N 3.27Å; F156-I158 PolarHBondContact O-N 3.33Å; F156-V159 PolarHBondContact O-N 2.92Å; F156-V159 VanDerWaalsContact O-N 3.17Å; F156-E160 HydrophobicContact CD1-CB 4.29Å; F156-E160 HydrophobicContact CE1-CB 3.92Å; F156-E160 HydrophobicContact CE1-CG 4.45Å; F156-E160 VanDerWaalsContact O-CB 3.3Å; F156-E160 WeakPolarHBondContact O-CB 3.2Å; F156-E160 PolarHBondContact O-N 3.27Å
157	S	91.3	Very high	93.4	Very high	22 Å²	22	48 Å²	48	15%	0.154	24%	0.244	C	C	.	.	H	α-helix	trans	-61.6	-33.9	178.1	-69.7	0	0	0	0	113.1	K153 V154 L161	K153-S157 PolarHBondContact O-N 3.31Å; K153-S157 PolarHBondContact O-OG 3.04Å; V154-S157 PolarHBondContact O-N 2.87Å; S157-L161 WeakPolarHBondContact O-CB 3.45Å; S157-L161 PolarHBondContact O-N 3.05Å
158	I	95.3	Very high	93.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-67.7	-48.2	172.6	-67.6	165.7	0	0	0	110.7	V154 E155 F156 E160 L161 L162 I175 L179 H194 I195 I198	V154-I158 HydrophobicContact CG1-CD1 4.23Å; V154-I158 WeakPolarHBondContact O-CG1 3.3Å; V154-I158 PolarHBondContact O-N 3.27Å; E155-I158 PolarHBondContact O-N 3.44Å; F156-I158 VanDerWaalsContact C-N 3.27Å; F156-I158 PolarHBondContact O-N 3.33Å; I158-E160 VanDerWaalsContact C-N 3.3Å; I158-E160 PolarHBondContact O-N 3.03Å; I158-L161 PolarHBondContact O-N 3.43Å; I158-L162 HydrophobicContact CG2-CD1 3.96Å; I158-L162 HydrophobicContact CG2-CG 4.41Å; I158-L162 WeakPolarHBondContact O-CG 3.41Å; I158-L162 PolarHBondContact O-N 3.42Å; I158-I175 HydrophobicContact CG1-CG2 3.92Å; I158-L179 HydrophobicContact CD1-CD1 4.03Å; I158-L179 HydrophobicContact CG1-CD1 3.73Å; I158-L179 HydrophobicContact CG1-CD2 4.19Å; I158-L179 HydrophobicContact CG1-CG 4.44Å; I158-H194 HydrophobicContact CD1-CB 3.42Å; I158-H194 VanDerWaalsContact CD1-CB 3.42Å; I158-I195 HydrophobicContact CG2-CD1 3.73Å; I158-I198 HydrophobicContact CB-CD1 3.84Å; I158-I198 HydrophobicContact CD1-CD1 4.24Å; I158-I198 HydrophobicContact CG2-CD1 3.71Å
159	V	96.8	Very high	93.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57	-47.9	176.2	166	0	0	0	0	110.2	I135 L142 L151 E155 F156 L161 L162 S163 I198 W221	I135-V159 HydrophobicContact CD1-CG1 3.7Å; L142-V159 HydrophobicContact CD1-CG1 4.33Å; L142-V159 HydrophobicContact CD2-CG1 4.22Å; L151-V159 HydrophobicContact CD1-CB 4.21Å; L151-V159 HydrophobicContact CD1-CG2 3.67Å; E155-V159 PolarHBondContact O-N 3.03Å; F156-V159 PolarHBondContact O-N 2.92Å; F156-V159 VanDerWaalsContact O-N 3.17Å; V159-L161 PolarHBondContact O-N 3.25Å; V159-L162 PolarHBondContact O-N 3.15Å; V159-S163 WeakPolarHBondContact O-CB 3.47Å; V159-S163 PolarHBondContact O-N 3.01Å; V159-S163 PolarHBondContact O-OG 3.33Å; V159-I198 HydrophobicContact CG2-CD1 4.27Å; V159-I198 HydrophobicContact CG2-CG1 4.45Å; V159-I198 HydrophobicContact CG2-CG2 3.7Å; V159-W221 HydrophobicContact CB-CZ3 4.46Å; V159-W221 HydrophobicContact CG1-CH2 3.96Å; V159-W221 HydrophobicContact CG1-CZ3 3.88Å; V159-W221 HydrophobicContact CG2-CZ3 4.3Å
160	E	94.5	Very high	93.6	Very high	20 Å²	20	47 Å²	47	9%	0.093	24%	0.238	C	C	.	.	H	α-helix	trans	-56.5	-47.4	178.4	174.3	177.4	-137	0	0	112.5	Y137 F156 I158 K164	Y137-E160 HydrophobicContact CD1-CB 4.21Å; Y137-E160 HydrophobicContact CD1-CG 3.87Å; Y137-E160 HydrophobicContact CE1-CB 4.41Å; Y137-E160 HydrophobicContact CE1-CG 4.28Å; F156-E160 HydrophobicContact CD1-CB 4.29Å; F156-E160 HydrophobicContact CE1-CB 3.92Å; F156-E160 HydrophobicContact CE1-CG 4.45Å; F156-E160 VanDerWaalsContact O-CB 3.3Å; F156-E160 WeakPolarHBondContact O-CB 3.2Å; F156-E160 PolarHBondContact O-N 3.27Å; I158-E160 VanDerWaalsContact C-N 3.3Å; I158-E160 PolarHBondContact O-N 3.03Å; E160-K164 HydrophobicContact CG-CD 3.83Å; E160-K164 VanDerWaalsContact O-CB 3.24Å; E160-K164 WeakPolarHBondContact O-CB 3.42Å; E160-K164 VanDerWaalsContact O-CG 3.25Å; E160-K164 WeakPolarHBondContact O-CG 3.18Å; E160-K164 PolarHBondContact O-N 3.04Å; E160-K164 IonicContact OE1-NZ 3.4Å; E160-K164 PolarHBondContact OE1-NZ 3.33Å
161	L	95.7	Very high	93.8	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.037	22%	0.216	C	C	.	.	H	α-helix	trans	-59.3	-52.1	176.9	175	63.8	0	0	0	111	S157 I158 V159 H165 F170 I175 Y178	S157-L161 WeakPolarHBondContact O-CB 3.45Å; S157-L161 PolarHBondContact O-N 3.05Å; I158-L161 PolarHBondContact O-N 3.43Å; V159-L161 PolarHBondContact O-N 3.25Å; L161-H165 PolarHBondContact O-CD2 2.77Å; L161-H165 VanDerWaalsContact O-CD2 3.23Å; L161-F170 HydrophobicContact CD1-CD1 4.39Å; L161-F170 HydrophobicContact CD1-CE1 3.82Å; L161-F170 HydrophobicContact CD1-CZ 3.92Å; L161-F170 HydrophobicContact CD2-CD1 4.26Å; L161-F170 HydrophobicContact CD2-CE1 4.5Å; L161-F170 HydrophobicContact CD2-CG 4.44Å; L161-F170 HydrophobicContact CG-CD1 4.44Å; L161-F170 HydrophobicContact CG-CE1 4.26Å; L161-F170 HydrophobicContact CG-CE2 4.48Å; L161-F170 HydrophobicContact CG-CZ 4.27Å; L161-I175 HydrophobicContact CD2-CB 4.34Å; L161-I175 HydrophobicContact CD2-CG1 3.97Å; L161-I175 HydrophobicContact CD2-CG2 4.39Å; L161-Y178 HydrophobicContact CB-CD1 3.9Å; L161-Y178 HydrophobicContact CB-CE1 3.73Å; L161-Y178 HydrophobicContact CB-CG 4.48Å; L161-Y178 HydrophobicContact CD1-CD1 4.17Å; L161-Y178 HydrophobicContact CD1-CD2 3.77Å; L161-Y178 HydrophobicContact CD1-CE1 4.29Å; L161-Y178 HydrophobicContact CD1-CE2 3.89Å; L161-Y178 HydrophobicContact CD1-CG 3.91Å; L161-Y178 HydrophobicContact CD2-CD1 3.79Å; L161-Y178 HydrophobicContact CD2-CE1 4.47Å; L161-Y178 HydrophobicContact CD2-CG 3.81Å; L161-Y178 HydrophobicContact CG-CD1 4.16Å; L161-Y178 HydrophobicContact CG-CE1 4.38Å; L161-Y178 HydrophobicContact CG-CG 4.28Å
162	L	97.9	Very high	93.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-67.9	-43.3	-174.9	-63.1	179.8	0	0	0	111.1	I158 V159 H165 F170 I175 I195 I211 W221	I158-L162 HydrophobicContact CG2-CD1 3.96Å; I158-L162 HydrophobicContact CG2-CG 4.41Å; I158-L162 WeakPolarHBondContact O-CG 3.41Å; I158-L162 PolarHBondContact O-N 3.42Å; V159-L162 PolarHBondContact O-N 3.15Å; L162-H165 CarbonylContact O-C 3.58Å; L162-H165 VanDerWaalsContact O-C 3.26Å; L162-H165 PolarHBondContact O-N 3.27Å; L162-F170 HydrophobicContact CD2-CB 4.29Å; L162-F170 HydrophobicContact CD2-CD2 3.62Å; L162-F170 HydrophobicContact CD2-CE2 4.35Å; L162-F170 HydrophobicContact CD2-CG 4.28Å; L162-I175 HydrophobicContact CD2-CD1 4.36Å; L162-I195 HydrophobicContact CD1-CD1 4.08Å; L162-I211 HydrophobicContact CD1-CD1 4.03Å; L162-I211 HydrophobicContact CD1-CG1 4.24Å; L162-I211 HydrophobicContact CD1-CG2 4.02Å; L162-W221 HydrophobicContact CB-CB 4.02Å; L162-W221 HydrophobicContact CB-CE3 4.1Å; L162-W221 WeakPolarHBondContact O-CB 3.49Å
163	S	96	Very high	93.8	Very high	4 Å²	4	43.7 Å²	43.7	3%	0.028	23%	0.225	C	C	.	.	H	α-helix	trans	-76.6	-24.7	-174.9	75.7	0	0	0	0	113.5	F130 Y137 V159 H165	F130-S163 WeakPolarHBondContact CZ-O 3.34Å; Y137-S163 VanDerWaalsContact CE1-OG 3.26Å; Y137-S163 WeakPolarHBondContact CE1-OG 3.31Å; Y137-S163 PolarHBondContact OH-OG 3.17Å; V159-S163 WeakPolarHBondContact O-CB 3.47Å; V159-S163 PolarHBondContact O-N 3.01Å; V159-S163 PolarHBondContact O-OG 3.33Å; S163-H165 PolarHBondContact O-N 3.04Å
164	K	93.7	Very high	94.3	Very high	78 Å²	78	38.7 Å²	38.7	34%	0.339	20%	0.204	S	C	.	.	H	α-helix	trans	-72.1	-15.3	169.3	-77.8	177.1	172.6	169.6	0	113.2	Y137 E160 P166	Y137-K164 HydrophobicContact CE1-CG 4.07Å; Y137-K164 HydrophobicContact CE2-CG 4.15Å; E160-K164 HydrophobicContact CG-CD 3.83Å; E160-K164 VanDerWaalsContact O-CB 3.24Å; E160-K164 WeakPolarHBondContact O-CB 3.42Å; E160-K164 VanDerWaalsContact O-CG 3.25Å; E160-K164 WeakPolarHBondContact O-CG 3.18Å; E160-K164 PolarHBondContact O-N 3.04Å; E160-K164 IonicContact OE1-NZ 3.4Å; E160-K164 PolarHBondContact OE1-NZ 3.33Å; K164-P166 VanDerWaalsContact C-CD 3.5Å
165	H	94.1	Very high	94.5	Very high	84 Å²	84	36.8 Å²	36.8	39%	0.389	19%	0.193	S	C	.	.	S	Bend	trans	-130.5	59.6	-177.9	-59.6	-66.9	0	0	0	111.2	L161 L162 S163 G167 R168 F170	L161-H165 PolarHBondContact O-CD2 2.77Å; L161-H165 VanDerWaalsContact O-CD2 3.23Å; L162-H165 CarbonylContact O-C 3.58Å; L162-H165 VanDerWaalsContact O-C 3.26Å; L162-H165 PolarHBondContact O-N 3.27Å; S163-H165 PolarHBondContact O-N 3.04Å; H165-G167 PolarHBondContact O-N 3.49Å; H165-R168 HydrophobicContact CB-CB 4.2Å; H165-R168 WeakPolarHBondContact O-CB 3.19Å; H165-R168 PolarHBondContact O-N 2.89Å; H165-R168 VanDerWaalsContact O-N 3.16Å; H165-F170 HydrophobicContact CB-CE2 3.76Å; H165-F170 HydrophobicContact CB-CZ 3.78Å; H165-F170 AromaticContact CD2-CZ 3.67Å; H165-F170 AromaticContact CG-CZ 3.87Å
166	P	92.5	Very high	94.3	Very high	83 Å²	83	38 Å²	38	54%	0.539	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	141	-177.8	27.4	-35	0	0	0	110.3	K164 R168	K164-P166 VanDerWaalsContact C-CD 3.5Å; P166-R168 PolarHBondContact O-N 2.95Å
167	G	92.6	Very high	94	Very high	41 Å²	41	41.7 Å²	41.7	42%	0.423	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	-24.8	-179.3	0	0	0	0	0	115.5	H165 K220 W221	H165-G167 PolarHBondContact O-N 3.49Å; G167-K220 VanDerWaalsContact CA-CE 3.47Å; G167-K220 VanDerWaalsContact O-CD 3.22Å; G167-K220 WeakPolarHBondContact O-CD 3.42Å; G167-K220 WeakPolarHBondContact O-CE 3.48Å; G167-K220 PolarHBondContact O-NZ 3.35Å; G167-W221 PolarHBondContact N-O 3.41Å
168	R	97	Very high	93.8	Very high	124 Å²	124	45.7 Å²	45.7	47%	0.468	23%	0.227	S	C	.	.			trans	-83.2	131.9	177.7	-179.8	175.8	170.7	-171.8	-2.2	110.6	H165 P166 F170 E174	H165-R168 HydrophobicContact CB-CB 4.2Å; H165-R168 WeakPolarHBondContact O-CB 3.19Å; H165-R168 PolarHBondContact O-N 2.89Å; H165-R168 VanDerWaalsContact O-N 3.16Å; P166-R168 PolarHBondContact O-N 2.95Å; R168-F170 HydrophobicContact CB-CE2 4.04Å; R168-F170 HydrophobicContact CG-CD2 4.24Å; R168-F170 HydrophobicContact CG-CE2 3.79Å; R168-F170 HydrophobicContact CG-CZ 4.02Å; R168-F170 VanDerWaalsContact CZ-CE1 3.41Å; R168-E174 IonicContact NH2-OE1 3.88Å; R168-E174 PolarHBondContact NH2-OE1 3.26Å; R168-E174 VanDerWaalsContact NH2-OE1 3.14Å
169	A	97.5	Very high	93.3	Very high	28 Å²	28	47.3 Å²	47.3	23%	0.231	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	137.6	169.8	0	0	0	0	0	110	V214 V217 Y219 K220	A169-V214 HydrophobicContact CB-CB 4.31Å; A169-V214 HydrophobicContact CB-CG2 3.99Å; A169-V217 HydrophobicContact CB-CG1 3.73Å; A169-Y219 CarbonylContact C-O 3.55Å; A169-Y219 WeakPolarHBondContact CA-O 3.42Å; A169-K220 HydrophobicContact CB-CB 4.26Å
170	F	97.1	Very high	92.4	Very high	8 Å²	8	50.8 Å²	50.8	4%	0.035	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132.2	172.5	-65.6	-97.5	0	0	0	109.3	L161 L162 H165 R168 E174 I175 G218 Y219	L161-F170 HydrophobicContact CD1-CD1 4.39Å; L161-F170 HydrophobicContact CD1-CE1 3.82Å; L161-F170 HydrophobicContact CD1-CZ 3.92Å; L161-F170 HydrophobicContact CD2-CD1 4.26Å; L161-F170 HydrophobicContact CD2-CE1 4.5Å; L161-F170 HydrophobicContact CD2-CG 4.44Å; L161-F170 HydrophobicContact CG-CD1 4.44Å; L161-F170 HydrophobicContact CG-CE1 4.26Å; L161-F170 HydrophobicContact CG-CE2 4.48Å; L161-F170 HydrophobicContact CG-CZ 4.27Å; L162-F170 HydrophobicContact CD2-CB 4.29Å; L162-F170 HydrophobicContact CD2-CD2 3.62Å; L162-F170 HydrophobicContact CD2-CE2 4.35Å; L162-F170 HydrophobicContact CD2-CG 4.28Å; H165-F170 HydrophobicContact CB-CE2 3.76Å; H165-F170 HydrophobicContact CB-CZ 3.78Å; H165-F170 AromaticContact CD2-CZ 3.67Å; H165-F170 AromaticContact CG-CZ 3.87Å; R168-F170 HydrophobicContact CB-CE2 4.04Å; R168-F170 HydrophobicContact CG-CD2 4.24Å; R168-F170 HydrophobicContact CG-CE2 3.79Å; R168-F170 HydrophobicContact CG-CZ 4.02Å; R168-F170 VanDerWaalsContact CZ-CE1 3.41Å; F170-E174 HydrophobicContact CB-CB 4.36Å; F170-E174 HydrophobicContact CD1-CB 4.26Å; F170-I175 HydrophobicContact CB-CD1 4.11Å; F170-I175 HydrophobicContact CB-CG1 3.68Å; F170-G218 CarbonylContact O-C 3.46Å; F170-G218 VanDerWaalsContact O-CA 3.32Å; F170-G218 WeakPolarHBondContact O-CA 3.31Å; F170-Y219 PolarHBondContact N-O 2.97Å; F170-Y219 PolarHBondContact O-N 3.05Å
171	S	95.2	Very high	90.8	Very high	25 Å²	25	55.8 Å²	55.8	18%	0.175	28%	0.276	C	S	.	.			trans	-64.3	161.1	170.1	61	0	0	0	0	112.1	E173 E174 I175 V217	S171-E173 PolarHBondContact O-N 2.69Å; S171-E174 WeakPolarHBondContact CB-OE2 3.47Å; S171-E174 PolarHBondContact N-OE2 3.16Å; S171-E174 PolarHBondContact O-N 3.16Å; S171-E174 WeakPolarHBondContact OG-CB 3.37Å; S171-E174 WeakPolarHBondContact OG-CG 3.19Å; S171-E174 PolarHBondContact OG-N 2.67Å; S171-E174 VanDerWaalsContact OG-N 3.12Å; S171-E174 PolarHBondContact OG-OE2 2.9Å; S171-I175 VanDerWaalsContact O-CG1 3.31Å; S171-I175 WeakPolarHBondContact O-CG1 3.32Å; S171-I175 PolarHBondContact O-N 2.88Å; S171-V217 WeakPolarHBondContact CA-O 3.23Å; S171-V217 WeakPolarHBondContact CB-O 3.39Å
172	K	93	Very high	88.7	Confident	71 Å²	71	65.4 Å²	65.4	31%	0.309	31%	0.312	S	S	.	.	H	α-helix	trans	-62.5	-34.8	178	-58	-174.4	-168.3	-176.3	0	110.3	Y176 A188 I191 T192 Y219	K172-Y176 VanDerWaalsContact O-CB 3.24Å; K172-Y176 WeakPolarHBondContact O-CB 3.46Å; K172-Y176 PolarHBondContact O-N 2.87Å; K172-A188 HydrophobicContact CB-CB 3.87Å; K172-I191 HydrophobicContact CB-CB 4.38Å; K172-T192 WeakPolarHBondContact CE-OG1 3.34Å; K172-T192 PolarHBondContact NZ-OG1 2.93Å; K172-Y219 HydrophobicContact CG-CE2 4.04Å
173	E	90.6	Very high	86.4	Confident	104 Å²	104	73 Å²	73	49%	0.486	35%	0.353	S	S	.	.	H	α-helix	trans	-66.9	-46	177.3	-63.9	68.4	-151.2	0	0	111.1	S171 I175 Y176 Q177	S171-E173 PolarHBondContact O-N 2.69Å; E173-I175 PolarHBondContact O-N 2.79Å; E173-Y176 PolarHBondContact O-N 3.41Å; E173-Q177 WeakPolarHBondContact O-CB 3.18Å; E173-Q177 VanDerWaalsContact O-CG 3.28Å; E173-Q177 WeakPolarHBondContact O-CG 3.26Å; E173-Q177 PolarHBondContact O-N 3.13Å
174	E	92.7	Very high	84.2	Confident	65 Å²	65	78.9 Å²	78.9	30%	0.304	38%	0.378	S	S	.	.	H	α-helix	trans	-61.5	-43.7	174.3	-78.9	169.2	110.3	0	0	112	R168 F170 S171 Y176 Q177 Y178	R168-E174 IonicContact NH2-OE1 3.88Å; R168-E174 PolarHBondContact NH2-OE1 3.26Å; R168-E174 VanDerWaalsContact NH2-OE1 3.14Å; F170-E174 HydrophobicContact CB-CB 4.36Å; F170-E174 HydrophobicContact CD1-CB 4.26Å; S171-E174 WeakPolarHBondContact CB-OE2 3.47Å; S171-E174 PolarHBondContact N-OE2 3.16Å; S171-E174 PolarHBondContact O-N 3.16Å; S171-E174 WeakPolarHBondContact OG-CB 3.37Å; S171-E174 WeakPolarHBondContact OG-CG 3.19Å; S171-E174 PolarHBondContact OG-N 2.67Å; S171-E174 VanDerWaalsContact OG-N 3.12Å; S171-E174 PolarHBondContact OG-OE2 2.9Å; E174-Y176 VanDerWaalsContact C-N 3.34Å; E174-Q177 PolarHBondContact O-N 2.75Å; E174-Y178 WeakPolarHBondContact O-CB 3.35Å; E174-Y178 PolarHBondContact O-N 3.23Å
175	I	93.7	Very high	82	Confident	0 Å²	0	84.5 Å²	84.5	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-64.5	-43.3	177.4	-62.4	167.9	0	0	0	109.8	I158 L161 L162 F170 S171 E173 Y178 L179 I191 Y219	I158-I175 HydrophobicContact CG1-CG2 3.92Å; L161-I175 HydrophobicContact CD2-CB 4.34Å; L161-I175 HydrophobicContact CD2-CG1 3.97Å; L161-I175 HydrophobicContact CD2-CG2 4.39Å; L162-I175 HydrophobicContact CD2-CD1 4.36Å; F170-I175 HydrophobicContact CB-CD1 4.11Å; F170-I175 HydrophobicContact CB-CG1 3.68Å; S171-I175 VanDerWaalsContact O-CG1 3.31Å; S171-I175 WeakPolarHBondContact O-CG1 3.32Å; S171-I175 PolarHBondContact O-N 2.88Å; E173-I175 PolarHBondContact O-N 2.79Å; I175-Y178 PolarHBondContact O-N 3.46Å; I175-L179 HydrophobicContact CG2-CD1 3.99Å; I175-L179 HydrophobicContact CG2-CG 4.5Å; I175-L179 VanDerWaalsContact O-CG 3.24Å; I175-L179 WeakPolarHBondContact O-CG 3.44Å; I175-L179 PolarHBondContact O-N 3.44Å; I175-I191 HydrophobicContact CB-CD1 4.49Å; I175-I191 HydrophobicContact CB-CG2 4.17Å; I175-I191 HydrophobicContact CD1-CG2 3.98Å; I175-I191 HydrophobicContact CG2-CD1 3.92Å; I175-I191 HydrophobicContact CG2-CG1 4.43Å; I175-I191 HydrophobicContact CG2-CG2 3.94Å; I175-Y219 HydrophobicContact CD1-CD2 3.77Å
176	Y	89.1	Confident	80.2	Confident	30 Å²	30	82.3 Å²	82.3	12%	0.118	41%	0.41	C	S	.	.	H	α-helix	trans	-61.5	-47	178.1	-174.6	-81.1	0	0	0	111.5	K172 E173 E174 Y178 L179 W180 K184 G186 I190 I191	K172-Y176 VanDerWaalsContact O-CB 3.24Å; K172-Y176 WeakPolarHBondContact O-CB 3.46Å; K172-Y176 PolarHBondContact O-N 2.87Å; E173-Y176 PolarHBondContact O-N 3.41Å; E174-Y176 VanDerWaalsContact C-N 3.34Å; Y176-Y178 VanDerWaalsContact C-N 3.33Å; Y176-Y178 PolarHBondContact O-N 3.2Å; Y176-L179 PolarHBondContact O-N 2.94Å; Y176-L179 VanDerWaalsContact O-N 3.12Å; Y176-W180 HydrophobicContact CD1-CE3 4.42Å; Y176-W180 AromaticContact CD2-CE3 3.52Å; Y176-W180 HydrophobicContact CD2-CE3 3.52Å; Y176-W180 AromaticContact CD2-CZ3 3.66Å; Y176-W180 HydrophobicContact CD2-CZ3 3.66Å; Y176-W180 HydrophobicContact CE1-CB 4.18Å; Y176-W180 HydrophobicContact CE1-CE3 4.27Å; Y176-W180 HydrophobicContact CE2-CD2 4.14Å; Y176-W180 AromaticContact CE2-CE3 3.38Å; Y176-W180 HydrophobicContact CE2-CE3 3.38Å; Y176-W180 AromaticContact CE2-CZ3 3.71Å; Y176-W180 HydrophobicContact CE2-CZ3 3.71Å; Y176-W180 HydrophobicContact CG-CE3 4.04Å; Y176-W180 HydrophobicContact CG-CZ3 4.46Å; Y176-W180 AromaticContact CZ-CE3 3.77Å; Y176-W180 PolarHBondContact O-N 3.04Å; Y176-W180 VanDerWaalsContact O-N 3.16Å; Y176-K184 HydrophobicContact CE1-CB 4.5Å; Y176-K184 WeakPolarHBondContact CE1-O 3.48Å; Y176-G186 VanDerWaalsContact CZ-CA 3.48Å; Y176-G186 VanDerWaalsContact OH-CA 3.27Å; Y176-G186 WeakPolarHBondContact OH-CA 3.48Å; Y176-G186 PolarHBondContact OH-N 3.43Å; Y176-I190 HydrophobicContact CD2-CG2 4.14Å; Y176-I190 HydrophobicContact CE2-CG2 4.24Å; Y176-I191 HydrophobicContact CD2-CD1 4.35Å
177	Q	87.6	Confident	79.2	Confident	82 Å²	82	84 Å²	84	38%	0.383	42%	0.415	S	S	.	.	H	α-helix	trans	-58.8	-43.4	176.7	-76.4	175.2	-5.4	0	0	111.9	E173 E174 L179 D181	E173-Q177 WeakPolarHBondContact O-CB 3.18Å; E173-Q177 VanDerWaalsContact O-CG 3.28Å; E173-Q177 WeakPolarHBondContact O-CG 3.26Å; E173-Q177 PolarHBondContact O-N 3.13Å; E174-Q177 PolarHBondContact O-N 2.75Å; Q177-L179 PolarHBondContact O-N 2.85Å; Q177-D181 PolarHBondContact O-N 2.94Å
178	Y	86.9	Confident	78.3	Confident	105 Å²	105	82.9 Å²	82.9	41%	0.412	40%	0.402	S	S	.	.	H	α-helix	trans	-60.7	-32.4	176.5	178.1	-96.3	0	0	0	113.1	L161 E174 I175 Y176	L161-Y178 HydrophobicContact CB-CD1 3.9Å; L161-Y178 HydrophobicContact CB-CE1 3.73Å; L161-Y178 HydrophobicContact CB-CG 4.48Å; L161-Y178 HydrophobicContact CD1-CD1 4.17Å; L161-Y178 HydrophobicContact CD1-CD2 3.77Å; L161-Y178 HydrophobicContact CD1-CE1 4.29Å; L161-Y178 HydrophobicContact CD1-CE2 3.89Å; L161-Y178 HydrophobicContact CD1-CG 3.91Å; L161-Y178 HydrophobicContact CD2-CD1 3.79Å; L161-Y178 HydrophobicContact CD2-CE1 4.47Å; L161-Y178 HydrophobicContact CD2-CG 3.81Å; L161-Y178 HydrophobicContact CG-CD1 4.16Å; L161-Y178 HydrophobicContact CG-CE1 4.38Å; L161-Y178 HydrophobicContact CG-CG 4.28Å; E174-Y178 WeakPolarHBondContact O-CB 3.35Å; E174-Y178 PolarHBondContact O-N 3.23Å; I175-Y178 PolarHBondContact O-N 3.46Å; Y176-Y178 VanDerWaalsContact C-N 3.33Å; Y176-Y178 PolarHBondContact O-N 3.2Å
179	L	84.7	Confident	77.4	Confident	35 Å²	35	79.3 Å²	79.3	18%	0.183	40%	0.399	C	S	.	.	H	α-helix	trans	-85.1	-31.3	-175.2	-69.6	171.2	0	0	0	114.3	V154 I158 I175 Y176 Q177 I191	V154-L179 HydrophobicContact CG1-CD1 4.04Å; V154-L179 HydrophobicContact CG1-CD2 4.5Å; I158-L179 HydrophobicContact CD1-CD1 4.03Å; I158-L179 HydrophobicContact CG1-CD1 3.73Å; I158-L179 HydrophobicContact CG1-CD2 4.19Å; I158-L179 HydrophobicContact CG1-CG 4.44Å; I175-L179 HydrophobicContact CG2-CD1 3.99Å; I175-L179 HydrophobicContact CG2-CG 4.5Å; I175-L179 VanDerWaalsContact O-CG 3.24Å; I175-L179 WeakPolarHBondContact O-CG 3.44Å; I175-L179 PolarHBondContact O-N 3.44Å; Y176-L179 PolarHBondContact O-N 2.94Å; Y176-L179 VanDerWaalsContact O-N 3.12Å; Q177-L179 PolarHBondContact O-N 2.85Å; L179-I191 HydrophobicContact CD1-CD1 3.8Å
180	W	79.1	Confident	76.9	Confident	72 Å²	72	81.5 Å²	81.5	27%	0.273	41%	0.406	S	S	.	.	H	α-helix	trans	-124.7	3	-166.3	-78.8	-68.4	0	0	0	116.3	V154 Y176 I190 I191	V154-W180 HydrophobicContact CG1-CH2 3.88Å; V154-W180 HydrophobicContact CG1-CZ2 4.21Å; V154-W180 HydrophobicContact CG2-CZ2 4.2Å; Y176-W180 HydrophobicContact CD1-CE3 4.42Å; Y176-W180 AromaticContact CD2-CE3 3.52Å; Y176-W180 HydrophobicContact CD2-CE3 3.52Å; Y176-W180 AromaticContact CD2-CZ3 3.66Å; Y176-W180 HydrophobicContact CD2-CZ3 3.66Å; Y176-W180 HydrophobicContact CE1-CB 4.18Å; Y176-W180 HydrophobicContact CE1-CE3 4.27Å; Y176-W180 HydrophobicContact CE2-CD2 4.14Å; Y176-W180 AromaticContact CE2-CE3 3.38Å; Y176-W180 HydrophobicContact CE2-CE3 3.38Å; Y176-W180 AromaticContact CE2-CZ3 3.71Å; Y176-W180 HydrophobicContact CE2-CZ3 3.71Å; Y176-W180 HydrophobicContact CG-CE3 4.04Å; Y176-W180 HydrophobicContact CG-CZ3 4.46Å; Y176-W180 AromaticContact CZ-CE3 3.77Å; Y176-W180 PolarHBondContact O-N 3.04Å; Y176-W180 VanDerWaalsContact O-N 3.16Å; W180-I190 HydrophobicContact CH2-CG2 4.31Å; W180-I190 HydrophobicContact CZ3-CG2 4.22Å; W180-I191 HydrophobicContact CZ3-CD1 4.05Å
181	D	61.2	Low	76.7	Confident	125 Å²	125	81.1 Å²	81.1	67%	0.668	40%	0.404	S	S	*	.			trans	54	162.6	-170.9	-70.8	-41.4	0	0	0	112.4	Q177 D183	Q177-D181 PolarHBondContact O-N 2.94Å; D181-D183 PolarHBondContact O-N 2.79Å
182	W	50.7	Low	76.6	Confident	210 Å²	210	82.5 Å²	82.5	80%	0.795	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-12.4	-165.1	-70	86.8	0	0	0	116.6	K184	W182-K184 PolarHBondContact O-N 2.79Å
183	D	49.5	Very low	76.7	Confident	158 Å²	158	81.8 Å²	81.8	85%	0.845	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	7	-166.5	-73.7	-20.1	0	0	0	115.7	D181	D181-D183 PolarHBondContact O-N 2.79Å
184	K	49	Very low	76.8	Confident	129 Å²	129	77.8 Å²	77.8	56%	0.561	39%	0.391	S	S	*	.			trans	-123	108.3	177.6	-62.6	-172.6	-176.5	178.9	0	111.9	Y176 W182 G186	Y176-K184 HydrophobicContact CE1-CB 4.5Å; Y176-K184 WeakPolarHBondContact CE1-O 3.48Å; W182-K184 PolarHBondContact O-N 2.79Å; K184-G186 VanDerWaalsContact C-N 3.33Å; K184-G186 PolarHBondContact O-N 3.49Å
185	L	47.5	Very low	77.1	Confident	195 Å²	195	74.8 Å²	74.8	100%	1.021	38%	0.377	S	S	*	.			trans	-64.9	94.3	158.1	-86.2	150.7	0	0	0	108
186	G	58.1	Low	77.2	Confident	38 Å²	38	81.2 Å²	81.2	39%	0.392	40%	0.401	S	S	.	.			trans	-114.6	167.1	171.9	0	0	0	0	0	113	Y176 K184 A188	Y176-G186 VanDerWaalsContact CZ-CA 3.48Å; Y176-G186 VanDerWaalsContact OH-CA 3.27Å; Y176-G186 WeakPolarHBondContact OH-CA 3.48Å; Y176-G186 PolarHBondContact OH-N 3.43Å; K184-G186 VanDerWaalsContact C-N 3.33Å; K184-G186 PolarHBondContact O-N 3.49Å; G186-A188 PolarHBondContact O-N 3.08Å
187	D	70.5	Confident	77.6	Confident	119 Å²	119	85.1 Å²	85.1	64%	0.636	42%	0.415	S	S	*	.			trans	-80.1	111.2	179.2	-173.7	-2.8	0	0	0	110.3	A189 I190	D187-A189 VanDerWaalsContact CG-CB 3.47Å; D187-A189 PolarHBondContact O-N 3.02Å; D187-A189 WeakPolarHBondContact OD1-CB 3.31Å; D187-A189 PolarHBondContact OD1-N 2.9Å; D187-A189 WeakPolarHBondContact OD2-CB 3.24Å; D187-I190 WeakPolarHBondContact O-CB 3.49Å; D187-I190 WeakPolarHBondContact O-CG2 3.38Å; D187-I190 PolarHBondContact O-N 3.08Å
188	A	73.5	Confident	78.1	Confident	18 Å²	18	81.2 Å²	81.2	15%	0.149	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-17.1	173.3	0	0	0	0	0	113	K172 G186 I190 I191	K172-A188 HydrophobicContact CB-CB 3.87Å; G186-A188 PolarHBondContact O-N 3.08Å; A188-I190 PolarHBondContact O-N 3.26Å; A188-I191 WeakPolarHBondContact O-CB 3.4Å; A188-I191 PolarHBondContact O-N 3.41Å
189	A	78.4	Confident	78.6	Confident	49 Å²	49	79.5 Å²	79.5	41%	0.405	39%	0.39	S	S	.	.	H	α-helix	trans	-60.9	-26.8	171	0	0	0	0	0	113.3	D187 I191 T192 E193	D187-A189 VanDerWaalsContact CG-CB 3.47Å; D187-A189 PolarHBondContact O-N 3.02Å; D187-A189 WeakPolarHBondContact OD1-CB 3.31Å; D187-A189 PolarHBondContact OD1-N 2.9Å; D187-A189 WeakPolarHBondContact OD2-CB 3.24Å; A189-I191 PolarHBondContact O-N 2.87Å; A189-T192 WeakPolarHBondContact O-CB 3.24Å; A189-T192 PolarHBondContact O-N 2.87Å; A189-T192 VanDerWaalsContact O-N 3.08Å; A189-E193 PolarHBondContact O-N 2.76Å
190	I	87.3	Confident	79.2	Confident	74 Å²	74	83.8 Å²	83.8	38%	0.379	41%	0.407	S	S	.	.	H	α-helix	trans	-61.3	-32.6	177	-157.6	173.3	0	0	0	111.7	Y176 W180 D187 A188 T192 E193 H194	Y176-I190 HydrophobicContact CD2-CG2 4.14Å; Y176-I190 HydrophobicContact CE2-CG2 4.24Å; W180-I190 HydrophobicContact CH2-CG2 4.31Å; W180-I190 HydrophobicContact CZ3-CG2 4.22Å; D187-I190 WeakPolarHBondContact O-CB 3.49Å; D187-I190 WeakPolarHBondContact O-CG2 3.38Å; D187-I190 PolarHBondContact O-N 3.08Å; A188-I190 PolarHBondContact O-N 3.26Å; I190-T192 VanDerWaalsContact C-N 3.3Å; I190-T192 PolarHBondContact O-N 2.72Å; I190-E193 PolarHBondContact O-N 2.95Å; I190-H194 PolarHBondContact O-CD2 3.02Å; I190-H194 PolarHBondContact O-N 2.75Å
191	I	92.4	Very high	80.1	Confident	0 Å²	0	82.9 Å²	82.9	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-63.5	-39.4	177.5	-56.5	-52.8	0	0	0	110.5	K172 I175 Y176 L179 W180 A188 A189 E193 H194 I195 Y219	K172-I191 HydrophobicContact CB-CB 4.38Å; I175-I191 HydrophobicContact CB-CD1 4.49Å; I175-I191 HydrophobicContact CB-CG2 4.17Å; I175-I191 HydrophobicContact CD1-CG2 3.98Å; I175-I191 HydrophobicContact CG2-CD1 3.92Å; I175-I191 HydrophobicContact CG2-CG1 4.43Å; I175-I191 HydrophobicContact CG2-CG2 3.94Å; Y176-I191 HydrophobicContact CD2-CD1 4.35Å; L179-I191 HydrophobicContact CD1-CD1 3.8Å; W180-I191 HydrophobicContact CZ3-CD1 4.05Å; A188-I191 WeakPolarHBondContact O-CB 3.4Å; A188-I191 PolarHBondContact O-N 3.41Å; A189-I191 PolarHBondContact O-N 2.87Å; I191-E193 VanDerWaalsContact C-N 3.32Å; I191-E193 PolarHBondContact O-N 2.86Å; I191-H194 PolarHBondContact O-N 2.81Å; I191-I195 HydrophobicContact CG2-CG1 4.23Å; I191-I195 VanDerWaalsContact O-CG1 3.26Å; I191-I195 WeakPolarHBondContact O-CG1 3.42Å; I191-I195 PolarHBondContact O-N 3.17Å; I191-Y219 HydrophobicContact CG2-CD2 4.27Å; I191-Y219 HydrophobicContact CG2-CE2 3.97Å
192	T	93.6	Very high	81.8	Confident	53 Å²	53	77.2 Å²	77.2	33%	0.325	38%	0.375	S	S	.	.	H	α-helix	trans	-62.7	-39.6	178.1	-61.4	0	0	0	0	111.8	K172 A189 I190 R196 Y219	K172-T192 WeakPolarHBondContact CE-OG1 3.34Å; K172-T192 PolarHBondContact NZ-OG1 2.93Å; A189-T192 WeakPolarHBondContact O-CB 3.24Å; A189-T192 PolarHBondContact O-N 2.87Å; A189-T192 VanDerWaalsContact O-N 3.08Å; I190-T192 VanDerWaalsContact C-N 3.3Å; I190-T192 PolarHBondContact O-N 2.72Å; T192-R196 WeakPolarHBondContact O-CB 3.38Å; T192-R196 PolarHBondContact O-N 2.84Å; T192-Y219 PolarHBondContact OG1-OH 3.21Å; T192-Y219 VanDerWaalsContact OG1-OH 3.04Å
193	E	93.7	Very high	83.9	Confident	57 Å²	57	70.9 Å²	70.9	27%	0.266	36%	0.363	S	S	.	.	H	α-helix	trans	-67.7	-40.8	175.8	176	58.3	-169.8	0	0	112	A189 I190 I191 R196 R197	A189-E193 PolarHBondContact O-N 2.76Å; I190-E193 PolarHBondContact O-N 2.95Å; I191-E193 VanDerWaalsContact C-N 3.32Å; I191-E193 PolarHBondContact O-N 2.86Å; E193-R196 VanDerWaalsContact CD-NH2 3.3Å; E193-R196 WeakPolarHBondContact O-CB 3.22Å; E193-R196 PolarHBondContact O-N 3.21Å; E193-R196 IonicContact OE1-CZ 2.72Å; E193-R196 IonicContact OE1-NE 3.27Å; E193-R196 IonicContact OE1-NH2 2.95Å; E193-R196 PolarHBondContact OE1-NH2 3.24Å; E193-R196 IonicContact OE2-CZ 3.08Å; E193-R196 IonicContact OE2-NE 3.68Å; E193-R196 PolarHBondContact OE2-NE 2.98Å; E193-R196 IonicContact OE2-NH2 3.83Å; E193-R196 PolarHBondContact OE2-NH2 3.39Å; E193-R196 VanDerWaalsContact OE2-NH2 3.08Å; E193-R197 WeakPolarHBondContact O-CG 3.44Å; E193-R197 PolarHBondContact O-N 2.84Å; E193-R197 IonicContact OE1-CZ 2.75Å; E193-R197 VanDerWaalsContact OE1-CZ 3.27Å; E193-R197 IonicContact OE1-NE 3.71Å; E193-R197 PolarHBondContact OE1-NE 3.28Å; E193-R197 IonicContact OE1-NH2 3.66Å; E193-R197 PolarHBondContact OE1-NH2 2.99Å
194	H	94.7	Very high	86.1	Confident	20 Å²	20	69.3 Å²	69.3	9%	0.093	35%	0.35	C	S	.	.	H	α-helix	trans	-63.3	-44.9	174.6	-74.8	-63.1	0	0	0	112.4	I158 I190 I191 R196 R197 I198	I158-H194 HydrophobicContact CD1-CB 3.42Å; I158-H194 VanDerWaalsContact CD1-CB 3.42Å; I190-H194 PolarHBondContact O-CD2 3.02Å; I190-H194 PolarHBondContact O-N 2.75Å; I191-H194 PolarHBondContact O-N 2.81Å; H194-R196 VanDerWaalsContact C-N 3.29Å; H194-R196 PolarHBondContact O-N 2.76Å; H194-R197 PolarHBondContact O-N 2.82Å; H194-R197 VanDerWaalsContact O-N 3.17Å; H194-I198 WeakPolarHBondContact O-CD1 3.21Å; H194-I198 VanDerWaalsContact O-CG1 3.24Å; H194-I198 WeakPolarHBondContact O-CG1 3.39Å; H194-I198 PolarHBondContact O-N 2.88Å
195	I	97.6	Very high	88.3	Confident	1 Å²	1	66 Å²	66	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-60.1	-41.3	176.2	-66.1	-75.5	0	0	0	110.9	I158 L162 I191 R197 I198 R199 I211 Y219	I158-I195 HydrophobicContact CG2-CD1 3.73Å; L162-I195 HydrophobicContact CD1-CD1 4.08Å; I191-I195 HydrophobicContact CG2-CG1 4.23Å; I191-I195 VanDerWaalsContact O-CG1 3.26Å; I191-I195 WeakPolarHBondContact O-CG1 3.42Å; I191-I195 PolarHBondContact O-N 3.17Å; I195-R197 PolarHBondContact O-N 3Å; I195-I198 PolarHBondContact O-N 3.19Å; I195-R199 HydrophobicContact CG2-CG 4.49Å; I195-R199 WeakPolarHBondContact O-CB 3.34Å; I195-R199 WeakPolarHBondContact O-CG 3.45Å; I195-R199 PolarHBondContact O-N 2.91Å; I195-I211 HydrophobicContact CD1-CD1 4.26Å; I195-I211 HydrophobicContact CD1-CG2 4.14Å; I195-I211 HydrophobicContact CG2-CG2 4.33Å; I195-Y219 HydrophobicContact CB-CD1 4.48Å; I195-Y219 HydrophobicContact CB-CE1 4.16Å; I195-Y219 HydrophobicContact CD1-CD1 4.23Å; I195-Y219 HydrophobicContact CD1-CD2 4.02Å; I195-Y219 HydrophobicContact CD1-CE2 4.47Å; I195-Y219 HydrophobicContact CD1-CG 3.87Å; I195-Y219 HydrophobicContact CG1-CD1 4.12Å; I195-Y219 HydrophobicContact CG1-CD2 3.8Å; I195-Y219 HydrophobicContact CG1-CE1 4.09Å; I195-Y219 HydrophobicContact CG1-CE2 3.74Å; I195-Y219 HydrophobicContact CG1-CG 3.97Å; I195-Y219 HydrophobicContact CG2-CD1 3.83Å; I195-Y219 HydrophobicContact CG2-CE1 3.67Å; I195-Y219 HydrophobicContact CG2-CG 4.49Å
196	R	96.3	Very high	90.4	Very high	135 Å²	135	57.2 Å²	57.2	51%	0.509	29%	0.289	S	S	.	.	H	α-helix	trans	-60.1	-44.5	175.8	-171	-173.3	70.6	84.4	-0.5	111.6	T192 E193 H194 K200	T192-R196 WeakPolarHBondContact O-CB 3.38Å; T192-R196 PolarHBondContact O-N 2.84Å; E193-R196 VanDerWaalsContact CD-NH2 3.3Å; E193-R196 WeakPolarHBondContact O-CB 3.22Å; E193-R196 PolarHBondContact O-N 3.21Å; E193-R196 IonicContact OE1-CZ 2.72Å; E193-R196 IonicContact OE1-NE 3.27Å; E193-R196 IonicContact OE1-NH2 2.95Å; E193-R196 PolarHBondContact OE1-NH2 3.24Å; E193-R196 IonicContact OE2-CZ 3.08Å; E193-R196 IonicContact OE2-NE 3.68Å; E193-R196 PolarHBondContact OE2-NE 2.98Å; E193-R196 IonicContact OE2-NH2 3.83Å; E193-R196 PolarHBondContact OE2-NH2 3.39Å; E193-R196 VanDerWaalsContact OE2-NH2 3.08Å; H194-R196 VanDerWaalsContact C-N 3.29Å; H194-R196 PolarHBondContact O-N 2.76Å; R196-K200 WeakPolarHBondContact O-CB 3.32Å; R196-K200 PolarHBondContact O-N 3.48Å
197	R	96.6	Very high	92	Very high	112 Å²	112	60.4 Å²	60.4	42%	0.423	31%	0.312	S	S	.	.	H	α-helix	trans	-66.3	-42.8	177.5	-69.6	176.4	-173.5	-174.9	4	112.4	E155 E193 H194 I195 K200 K201	E155-R197 VanDerWaalsContact OE1-CB 3.31Å; E155-R197 WeakPolarHBondContact OE1-CB 3.43Å; E193-R197 WeakPolarHBondContact O-CG 3.44Å; E193-R197 PolarHBondContact O-N 2.84Å; E193-R197 IonicContact OE1-CZ 2.75Å; E193-R197 VanDerWaalsContact OE1-CZ 3.27Å; E193-R197 IonicContact OE1-NE 3.71Å; E193-R197 PolarHBondContact OE1-NE 3.28Å; E193-R197 IonicContact OE1-NH2 3.66Å; E193-R197 PolarHBondContact OE1-NH2 2.99Å; H194-R197 PolarHBondContact O-N 2.82Å; H194-R197 VanDerWaalsContact O-N 3.17Å; I195-R197 PolarHBondContact O-N 3Å; R197-K200 PolarHBondContact O-N 2.94Å; R197-K201 WeakPolarHBondContact O-CG 3.43Å; R197-K201 PolarHBondContact O-N 3.03Å
198	I	98	Very high	93	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.4	-51.4	176.4	-67.5	160.5	0	0	0	110.2	E155 I158 V159 H194 I195 K200 K201 L202 I211	E155-I198 HydrophobicContact CB-CD1 4.17Å; E155-I198 HydrophobicContact CB-CG1 3.78Å; E155-I198 HydrophobicContact CG-CD1 4.39Å; E155-I198 HydrophobicContact CG-CG1 3.88Å; I158-I198 HydrophobicContact CB-CD1 3.84Å; I158-I198 HydrophobicContact CD1-CD1 4.24Å; I158-I198 HydrophobicContact CG2-CD1 3.71Å; V159-I198 HydrophobicContact CG2-CD1 4.27Å; V159-I198 HydrophobicContact CG2-CG1 4.45Å; V159-I198 HydrophobicContact CG2-CG2 3.7Å; H194-I198 WeakPolarHBondContact O-CD1 3.21Å; H194-I198 VanDerWaalsContact O-CG1 3.24Å; H194-I198 WeakPolarHBondContact O-CG1 3.39Å; H194-I198 PolarHBondContact O-N 2.88Å; I195-I198 PolarHBondContact O-N 3.19Å; I198-K200 VanDerWaalsContact C-N 3.32Å; I198-K200 PolarHBondContact O-N 2.78Å; I198-K201 PolarHBondContact O-N 3.12Å; I198-L202 HydrophobicContact CG2-CD1 3.77Å; I198-L202 HydrophobicContact CG2-CG 4.44Å; I198-L202 WeakPolarHBondContact O-CG 3.48Å; I198-L202 PolarHBondContact O-N 3.39Å; I198-I211 HydrophobicContact CB-CD1 4.42Å; I198-I211 HydrophobicContact CG2-CD1 3.61Å
199	R	97.6	Very high	93.9	Very high	70 Å²	70	62.1 Å²	62.1	26%	0.264	32%	0.321	S	S	.	.	H	α-helix	trans	-57.7	-45	177.2	-76.2	178.9	175.8	152.4	0	111.9	I195 K201 L202 S203 I211 T213	I195-R199 HydrophobicContact CG2-CG 4.49Å; I195-R199 WeakPolarHBondContact O-CB 3.34Å; I195-R199 WeakPolarHBondContact O-CG 3.45Å; I195-R199 PolarHBondContact O-N 2.91Å; R199-K201 PolarHBondContact O-N 3.32Å; R199-L202 PolarHBondContact O-N 2.93Å; R199-S203 VanDerWaalsContact O-CB 3.29Å; R199-S203 WeakPolarHBondContact O-CB 3.41Å; R199-S203 PolarHBondContact O-N 3.38Å; R199-S203 PolarHBondContact O-OG 3.34Å; R199-I211 VanDerWaalsContact CZ-O 3.3Å; R199-I211 PolarHBondContact NE-O 2.91Å; R199-I211 PolarHBondContact NH2-O 3.39Å; R199-T213 PolarHBondContact NH1-OG1 3.18Å; R199-T213 VanDerWaalsContact NH2-N 3.1Å; R199-T213 PolarHBondContact NH2-OG1 3.28Å
200	K	97.5	Very high	94.8	Very high	125 Å²	125	60 Å²	60	54%	0.543	30%	0.302	S	S	.	.	H	α-helix	trans	-56.4	-51.6	175.8	-175.9	-177.4	174.2	-173.9	0	111.1	R196 R197 I198 L202 S203 E204	R196-K200 WeakPolarHBondContact O-CB 3.32Å; R196-K200 PolarHBondContact O-N 3.48Å; R197-K200 PolarHBondContact O-N 2.94Å; I198-K200 VanDerWaalsContact C-N 3.32Å; I198-K200 PolarHBondContact O-N 2.78Å; K200-L202 PolarHBondContact O-N 3.34Å; K200-S203 WeakPolarHBondContact CA-OG 3.46Å; K200-S203 PolarHBondContact O-N 3.47Å; K200-S203 PolarHBondContact O-OG 3.24Å; K200-E204 PolarHBondContact O-N 2.98Å
201	K	97.7	Very high	95.3	Very high	52 Å²	52	56.6 Å²	56.6	23%	0.226	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-40.5	-179.8	-71.1	178.4	176.4	-167.3	0	112.7	I149 Y150 L151 E155 R197 I198 R199 Y205	I149-K201 HydrophobicContact CG2-CB 4.27Å; Y150-K201 WeakPolarHBondContact O-CD 3.29Å; Y150-K201 PolarHBondContact O-NZ 3Å; L151-K201 HydrophobicContact CD2-CB 4.31Å; L151-K201 HydrophobicContact CD2-CD 3.61Å; E155-K201 IonicContact OE1-NZ 2.91Å; E155-K201 IonicContact OE2-NZ 3.35Å; E155-K201 PolarHBondContact OE2-NZ 2.98Å; R197-K201 WeakPolarHBondContact O-CG 3.43Å; R197-K201 PolarHBondContact O-N 3.03Å; I198-K201 PolarHBondContact O-N 3.12Å; R199-K201 PolarHBondContact O-N 3.32Å; K201-Y205 WeakPolarHBondContact O-CD2 3.35Å; K201-Y205 WeakPolarHBondContact O-CE2 3.45Å
202	L	96.7	Very high	95.6	Very high	7 Å²	7	61 Å²	61	4%	0.037	31%	0.305	C	S	.	.	H	α-helix	trans	-68.5	-38.9	176.3	-70.7	168.1	0	0	0	112	L133 L142 I149 I198 R199 K200 E204 Y205 S206 Y210	L133-L202 HydrophobicContact CD1-CD2 4Å; L133-L202 HydrophobicContact CD2-CD2 4.26Å; L142-L202 HydrophobicContact CD2-CD2 4.13Å; I149-L202 HydrophobicContact CD1-CD2 3.87Å; I198-L202 HydrophobicContact CG2-CD1 3.77Å; I198-L202 HydrophobicContact CG2-CG 4.44Å; I198-L202 WeakPolarHBondContact O-CG 3.48Å; I198-L202 PolarHBondContact O-N 3.39Å; R199-L202 PolarHBondContact O-N 2.93Å; K200-L202 PolarHBondContact O-N 3.34Å; L202-E204 PolarHBondContact O-N 2.93Å; L202-Y205 PolarHBondContact O-N 3.42Å; L202-S206 PolarHBondContact O-N 2.87Å; L202-Y210 HydrophobicContact CB-CD2 4.39Å; L202-Y210 HydrophobicContact CD1-CD2 4.02Å; L202-Y210 HydrophobicContact CD1-CG 4.38Å; L202-Y210 HydrophobicContact CD2-CD2 4.32Å; L202-Y210 HydrophobicContact CG-CD2 4.49Å
203	S	95.9	Very high	95.7	Very high	77 Å²	77	60.5 Å²	60.5	54%	0.538	30%	0.303	S	S	.	.	H	α-helix	trans	-65.8	-18.6	-179.8	70.8	0	0	0	0	114.1	R199 K200 Y205 S206	R199-S203 VanDerWaalsContact O-CB 3.29Å; R199-S203 WeakPolarHBondContact O-CB 3.41Å; R199-S203 PolarHBondContact O-N 3.38Å; R199-S203 PolarHBondContact O-OG 3.34Å; K200-S203 WeakPolarHBondContact CA-OG 3.46Å; K200-S203 PolarHBondContact O-N 3.47Å; K200-S203 PolarHBondContact O-OG 3.24Å; S203-Y205 PolarHBondContact O-N 3.2Å; S203-S206 WeakPolarHBondContact CA-O 3.47Å
204	E	96	Very high	95.9	Very high	125 Å²	125	59.8 Å²	59.8	58%	0.584	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-15.9	173.6	-70.9	171.4	-166.8	0	0	112.4	K200 L202	K200-E204 PolarHBondContact O-N 2.98Å; L202-E204 PolarHBondContact O-N 2.93Å
205	Y	95.2	Very high	95.8	Very high	60 Å²	60	69.9 Å²	69.9	24%	0.235	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-30.7	-175.9	-57.9	-103	0	0	0	113.3	Y144 Q147 E148 I149 K201 L202 S203	Y144-Y205 WeakPolarHBondContact CD1-O 3.41Å; Y144-Y205 WeakPolarHBondContact CE1-O 3.49Å; Q147-Y205 HydrophobicContact CB-CD1 4.4Å; Q147-Y205 HydrophobicContact CB-CE1 4.25Å; Q147-Y205 HydrophobicContact CG-CD1 4.32Å; Q147-Y205 HydrophobicContact CG-CE1 3.75Å; E148-Y205 PolarHBondContact O-OH 2.78Å; I149-Y205 HydrophobicContact CB-CE2 4.38Å; I149-Y205 HydrophobicContact CD1-CD1 4.43Å; I149-Y205 HydrophobicContact CD1-CD2 3.72Å; I149-Y205 HydrophobicContact CD1-CE2 4.21Å; I149-Y205 HydrophobicContact CD1-CG 3.86Å; I149-Y205 HydrophobicContact CG1-CD1 4.15Å; I149-Y205 HydrophobicContact CG1-CD2 3.8Å; I149-Y205 HydrophobicContact CG1-CE1 4.07Å; I149-Y205 HydrophobicContact CG1-CE2 3.8Å; I149-Y205 HydrophobicContact CG1-CG 4Å; I149-Y205 HydrophobicContact CG2-CE2 4.12Å; K201-Y205 WeakPolarHBondContact O-CD2 3.35Å; K201-Y205 WeakPolarHBondContact O-CE2 3.45Å; L202-Y205 PolarHBondContact O-N 3.42Å; S203-Y205 PolarHBondContact O-N 3.2Å
206	S	91.3	Very high	95.5	Very high	9 Å²	9	74.2 Å²	74.2	6%	0.063	38%	0.384	C	S	.	.			trans	-137.8	145	-173.9	-167.8	0	0	0	0	111.9	Y144 L202 S203 T208	Y144-S206 VanDerWaalsContact CE2-CB 3.43Å; Y144-S206 WeakPolarHBondContact CE2-OG 3.46Å; Y144-S206 VanDerWaalsContact CZ-CB 3.49Å; Y144-S206 PolarHBondContact OH-OG 2.86Å; Y144-S206 VanDerWaalsContact OH-OG 3.1Å; L202-S206 PolarHBondContact O-N 2.87Å; S203-S206 WeakPolarHBondContact CA-O 3.47Å; S206-T208 WeakPolarHBondContact OG-CB 3.38Å; S206-T208 PolarHBondContact OG-N 2.75Å; S206-T208 PolarHBondContact OG-OG1 3.07Å
207	A	91.4	Very high	95.3	Very high	105 Å²	105	71.5 Å²	71.5	87%	0.868	38%	0.383	S	S	*	.	S	Bend	trans	-80.6	-7.4	168.4	0	0	0	0	0	112.7
208	T	92.1	Very high	95.3	Very high	60 Å²	60	66.6 Å²	66.6	37%	0.368	37%	0.366	S	S	.	.			trans	-76.9	125.4	-179.9	-56.7	0	0	0	0	110.6	S206 Y210	S206-T208 WeakPolarHBondContact OG-CB 3.38Å; S206-T208 PolarHBondContact OG-N 2.75Å; S206-T208 PolarHBondContact OG-OG1 3.07Å; T208-Y210 HydrophobicContact CG2-CE1 4.25Å; T208-Y210 HydrophobicContact CG2-CE2 4.2Å; T208-Y210 WeakPolarHBondContact O-CD2 3.16Å; T208-Y210 VanDerWaalsContact O-CE2 3.31Å; T208-Y210 WeakPolarHBondContact O-CE2 3.45Å; T208-Y210 PolarHBondContact O-N 3.28Å
209	D	93	Very high	95.3	Very high	113 Å²	113	67.2 Å²	67.2	60%	0.604	37%	0.369	S	S	*	.			trans	-79.2	108.1	169.6	-78.5	-47.9	0	0	0	110.2	I222	D209-I222 HydrophobicContact CB-CD1 4.47Å; D209-I222 WeakPolarHBondContact O-CD1 3.48Å; D209-I222 VanDerWaalsContact O-CG1 3.23Å; D209-I222 WeakPolarHBondContact O-CG1 2.99Å
210	Y	96.8	Very high	95.3	Very high	4 Å²	4	66.6 Å²	66.6	2%	0.016	37%	0.368	C	S	.	.			trans	-82.4	-21.5	178.4	-65	-89.2	0	0	0	113.6	F130 L133 Y144 L202 T208 W221 I222	F130-Y210 HydrophobicContact CB-CD1 4.16Å; F130-Y210 HydrophobicContact CB-CE1 3.91Å; L133-Y210 HydrophobicContact CB-CD1 4.46Å; L133-Y210 HydrophobicContact CB-CE1 3.59Å; L133-Y210 HydrophobicContact CD2-CD1 3.52Å; L133-Y210 HydrophobicContact CD2-CD2 4.26Å; L133-Y210 HydrophobicContact CD2-CE1 3.51Å; L133-Y210 HydrophobicContact CD2-CE2 4.24Å; L133-Y210 HydrophobicContact CD2-CG 3.94Å; L133-Y210 HydrophobicContact CG-CE1 4.17Å; Y144-Y210 WeakPolarHBondContact CE2-OH 3.22Å; L202-Y210 HydrophobicContact CB-CD2 4.39Å; L202-Y210 HydrophobicContact CD1-CD2 4.02Å; L202-Y210 HydrophobicContact CD1-CG 4.38Å; L202-Y210 HydrophobicContact CD2-CD2 4.32Å; L202-Y210 HydrophobicContact CG-CD2 4.49Å; T208-Y210 HydrophobicContact CG2-CE1 4.25Å; T208-Y210 HydrophobicContact CG2-CE2 4.2Å; T208-Y210 WeakPolarHBondContact O-CD2 3.16Å; T208-Y210 VanDerWaalsContact O-CE2 3.31Å; T208-Y210 WeakPolarHBondContact O-CE2 3.45Å; T208-Y210 PolarHBondContact O-N 3.28Å; Y210-W221 HydrophobicContact CD1-CH2 4.26Å; Y210-W221 AromaticContact CD1-CZ2 3.7Å; Y210-W221 HydrophobicContact CD1-CZ2 3.7Å; Y210-W221 HydrophobicContact CG-CH2 4.16Å; Y210-W221 HydrophobicContact CG-CZ2 4.03Å; Y210-W221 WeakPolarHBondContact O-CA 3.37Å; Y210-I222 PolarHBondContact O-N 3.18Å
211	I	97.7	Very high	95.3	Very high	3 Å²	3	60.7 Å²	60.7	2%	0.015	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	115.1	-176.6	-58.8	175.5	0	0	0	109.6	L162 I195 I198 R199 Y219 K220 W221	L162-I211 HydrophobicContact CD1-CD1 4.03Å; L162-I211 HydrophobicContact CD1-CG1 4.24Å; L162-I211 HydrophobicContact CD1-CG2 4.02Å; I195-I211 HydrophobicContact CD1-CD1 4.26Å; I195-I211 HydrophobicContact CD1-CG2 4.14Å; I195-I211 HydrophobicContact CG2-CG2 4.33Å; I198-I211 HydrophobicContact CB-CD1 4.42Å; I198-I211 HydrophobicContact CG2-CD1 3.61Å; R199-I211 VanDerWaalsContact CZ-O 3.3Å; R199-I211 PolarHBondContact NE-O 2.91Å; R199-I211 PolarHBondContact NH2-O 3.39Å; I211-Y219 HydrophobicContact CG2-CD1 4.41Å; I211-K220 CarbonylContact C-O 3.57Å; I211-K220 WeakPolarHBondContact CA-O 3.39Å; I211-W221 HydrophobicContact CD1-CE3 4.38Å; I211-W221 HydrophobicContact CD1-CZ3 4.15Å; I211-W221 HydrophobicContact CG1-CE3 3.72Å; I211-W221 HydrophobicContact CG1-CZ3 3.79Å
212	Q	97.5	Very high	95.1	Very high	92 Å²	92	61.8 Å²	61.8	43%	0.43	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	142.1	174.4	-165.1	-179.1	15.4	0	0	111.2	Y219 K220 I222	Q212-Y219 WeakPolarHBondContact O-CA 3.42Å; Q212-K220 PolarHBondContact N-O 2.84Å; Q212-K220 PolarHBondContact O-N 2.91Å; Q212-I222 HydrophobicContact CB-CB 4.49Å; Q212-I222 HydrophobicContact CB-CD1 3.87Å; Q212-I222 HydrophobicContact CB-CG1 4Å; Q212-I222 HydrophobicContact CB-CG2 3.68Å; Q212-I222 HydrophobicContact CG-CD1 4.46Å
213	T	97.4	Very high	94.4	Very high	44 Å²	44	63.6 Å²	63.6	27%	0.27	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	123.5	164	-57.3	0	0	0	0	108.6	R199 Y219	R199-T213 PolarHBondContact NH1-OG1 3.18Å; R199-T213 VanDerWaalsContact NH2-N 3.1Å; R199-T213 PolarHBondContact NH2-OG1 3.28Å; T213-Y219 HydrophobicContact CG2-CE1 4.36Å
214	V	96.5	Very high	94.4	Very high	41 Å²	41	62.9 Å²	62.9	25%	0.248	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	104.7	171.4	-174.4	0	0	0	0	107.7	A169 G216 V217 G218 K220	A169-V214 HydrophobicContact CB-CB 4.31Å; A169-V214 HydrophobicContact CB-CG2 3.99Å; V214-G216 PolarHBondContact O-N 3.38Å; V214-V217 HydrophobicContact CB-CB 4.1Å; V214-V217 HydrophobicContact CG1-CB 3.78Å; V214-V217 HydrophobicContact CG1-CG2 3.87Å; V214-V217 PolarHBondContact O-N 2.69Å; V214-G218 PolarHBondContact N-O 3.04Å; V214-G218 PolarHBondContact O-N 3.1Å; V214-K220 HydrophobicContact CG2-CB 3.87Å; V214-K220 HydrophobicContact CG2-CD 4.33Å
215	W	92.9	Very high	94.3	Very high	233 Å²	233	59.6 Å²	59.6	88%	0.883	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	131.6	-175.5	-63.8	107.4	0	0	0	111.9	V217	W215-V217 PolarHBondContact O-N 3.22Å
216	G	91.1	Very high	94.2	Very high	91 Å²	91	59.6 Å²	59.6	94%	0.938	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	-2.8	-177	0	0	0	0	0	115.3	V214	V214-G216 PolarHBondContact O-N 3.38Å
217	V	92.2	Very high	94.4	Very high	79 Å²	79	62.6 Å²	62.6	48%	0.479	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	-58.4	-178	-175.2	0	0	0	0	111.4	A169 S171 V214 W215	A169-V217 HydrophobicContact CB-CG1 3.73Å; S171-V217 WeakPolarHBondContact CA-O 3.23Å; S171-V217 WeakPolarHBondContact CB-O 3.39Å; V214-V217 HydrophobicContact CB-CB 4.1Å; V214-V217 HydrophobicContact CG1-CB 3.78Å; V214-V217 HydrophobicContact CG1-CG2 3.87Å; V214-V217 PolarHBondContact O-N 2.69Å; W215-V217 PolarHBondContact O-N 3.22Å
218	G	95.9	Very high	94.6	Very high	8 Å²	8	59.9 Å²	59.9	8%	0.082	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.6	-127.1	-177.3	0	0	0	0	0	113.4	F170 V214	F170-G218 CarbonylContact O-C 3.46Å; F170-G218 VanDerWaalsContact O-CA 3.32Å; F170-G218 WeakPolarHBondContact O-CA 3.31Å; V214-G218 PolarHBondContact N-O 3.04Å; V214-G218 PolarHBondContact O-N 3.1Å
219	Y	98.1	Very high	94.7	Very high	13 Å²	13	59.9 Å²	59.9	5%	0.051	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	147.4	-174.3	-54.4	-75	0	0	0	112.3	A169 F170 K172 I175 I191 T192 I195 I211 Q212 T213	A169-Y219 CarbonylContact C-O 3.55Å; A169-Y219 WeakPolarHBondContact CA-O 3.42Å; F170-Y219 PolarHBondContact N-O 2.97Å; F170-Y219 PolarHBondContact O-N 3.05Å; K172-Y219 HydrophobicContact CG-CE2 4.04Å; I175-Y219 HydrophobicContact CD1-CD2 3.77Å; I191-Y219 HydrophobicContact CG2-CD2 4.27Å; I191-Y219 HydrophobicContact CG2-CE2 3.97Å; T192-Y219 PolarHBondContact OG1-OH 3.21Å; T192-Y219 VanDerWaalsContact OG1-OH 3.04Å; I195-Y219 HydrophobicContact CB-CD1 4.48Å; I195-Y219 HydrophobicContact CB-CE1 4.16Å; I195-Y219 HydrophobicContact CD1-CD1 4.23Å; I195-Y219 HydrophobicContact CD1-CD2 4.02Å; I195-Y219 HydrophobicContact CD1-CE2 4.47Å; I195-Y219 HydrophobicContact CD1-CG 3.87Å; I195-Y219 HydrophobicContact CG1-CD1 4.12Å; I195-Y219 HydrophobicContact CG1-CD2 3.8Å; I195-Y219 HydrophobicContact CG1-CE1 4.09Å; I195-Y219 HydrophobicContact CG1-CE2 3.74Å; I195-Y219 HydrophobicContact CG1-CG 3.97Å; I195-Y219 HydrophobicContact CG2-CD1 3.83Å; I195-Y219 HydrophobicContact CG2-CE1 3.67Å; I195-Y219 HydrophobicContact CG2-CG 4.49Å; I211-Y219 HydrophobicContact CG2-CD1 4.41Å; Q212-Y219 WeakPolarHBondContact O-CA 3.42Å; T213-Y219 HydrophobicContact CG2-CE1 4.36Å
220	K	97.5	Very high	94.9	Very high	57 Å²	57	56.1 Å²	56.1	25%	0.248	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	140.4	-176.2	166.3	179.5	156	148.3	0	110	G167 A169 I211 Q212 V214 I222	G167-K220 VanDerWaalsContact CA-CE 3.47Å; G167-K220 VanDerWaalsContact O-CD 3.22Å; G167-K220 WeakPolarHBondContact O-CD 3.42Å; G167-K220 WeakPolarHBondContact O-CE 3.48Å; G167-K220 PolarHBondContact O-NZ 3.35Å; A169-K220 HydrophobicContact CB-CB 4.26Å; I211-K220 CarbonylContact C-O 3.57Å; I211-K220 WeakPolarHBondContact CA-O 3.39Å; Q212-K220 PolarHBondContact N-O 2.84Å; Q212-K220 PolarHBondContact O-N 2.91Å; V214-K220 HydrophobicContact CG2-CB 3.87Å; V214-K220 HydrophobicContact CG2-CD 4.33Å; K220-I222 HydrophobicContact CD-CG2 4.22Å; K220-I222 HydrophobicContact CG-CG2 4.07Å
221	W	98.1	Very high	94.7	Very high	1 Å²	1	60.2 Å²	60.2	0%	0.004	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	130.6	169.1	-164.8	-92	0	0	0	111	F130 L133 I135 V159 L162 G167 Y210 I211	F130-W221 AromaticContact CD1-CD1 3.91Å; F130-W221 AromaticContact CD1-NE1 3.14Å; F130-W221 AromaticContact CD2-CE2 3.91Å; F130-W221 AromaticContact CD2-CZ2 3.69Å; F130-W221 HydrophobicContact CD2-CZ2 3.69Å; F130-W221 AromaticContact CD2-NE1 3.64Å; F130-W221 AromaticContact CE1-CD1 3.49Å; F130-W221 VanDerWaalsContact CE1-CD1 3.49Å; F130-W221 AromaticContact CE1-NE1 3.06Å; F130-W221 AromaticContact CE2-CE2 3.9Å; F130-W221 AromaticContact CE2-CZ2 3.95Å; F130-W221 HydrophobicContact CE2-CZ2 3.95Å; F130-W221 AromaticContact CE2-NE1 3.58Å; F130-W221 HydrophobicContact CG-CZ2 4.06Å; F130-W221 AromaticContact CG-NE1 3.42Å; F130-W221 AromaticContact CZ-CD1 3.81Å; F130-W221 AromaticContact CZ-CE2 4Å; F130-W221 AromaticContact CZ-NE1 3.28Å; F130-W221 VanDerWaalsContact CZ-NE1 3.28Å; L133-W221 HydrophobicContact CD2-CH2 3.89Å; L133-W221 HydrophobicContact CD2-CZ2 3.78Å; I135-W221 HydrophobicContact CD1-CH2 4.04Å; I135-W221 HydrophobicContact CD1-CZ2 3.98Å; V159-W221 HydrophobicContact CB-CZ3 4.46Å; V159-W221 HydrophobicContact CG1-CH2 3.96Å; V159-W221 HydrophobicContact CG1-CZ3 3.88Å; V159-W221 HydrophobicContact CG2-CZ3 4.3Å; L162-W221 HydrophobicContact CB-CB 4.02Å; L162-W221 HydrophobicContact CB-CE3 4.1Å; L162-W221 WeakPolarHBondContact O-CB 3.49Å; G167-W221 PolarHBondContact N-O 3.41Å; Y210-W221 HydrophobicContact CD1-CH2 4.26Å; Y210-W221 AromaticContact CD1-CZ2 3.7Å; Y210-W221 HydrophobicContact CD1-CZ2 3.7Å; Y210-W221 HydrophobicContact CG-CH2 4.16Å; Y210-W221 HydrophobicContact CG-CZ2 4.03Å; Y210-W221 WeakPolarHBondContact O-CA 3.37Å; I211-W221 HydrophobicContact CD1-CE3 4.38Å; I211-W221 HydrophobicContact CD1-CZ3 4.15Å; I211-W221 HydrophobicContact CG1-CE3 3.72Å; I211-W221 HydrophobicContact CG1-CZ3 3.79Å
222	I	94.3	Very high	94.5	Very high	75 Å²	75	64.9 Å²	64.9	39%	0.385	37%	0.373	S	S	.	.			trans	-130.1	2.5	-178.5	58.5	156.3	0	0	0	114.1	D209 Y210 Q212 K220	D209-I222 HydrophobicContact CB-CD1 4.47Å; D209-I222 WeakPolarHBondContact O-CD1 3.48Å; D209-I222 VanDerWaalsContact O-CG1 3.23Å; D209-I222 WeakPolarHBondContact O-CG1 2.99Å; Y210-I222 PolarHBondContact O-N 3.18Å; Q212-I222 HydrophobicContact CB-CB 4.49Å; Q212-I222 HydrophobicContact CB-CD1 3.87Å; Q212-I222 HydrophobicContact CB-CG1 4Å; Q212-I222 HydrophobicContact CB-CG2 3.68Å; Q212-I222 HydrophobicContact CG-CD1 4.46Å; K220-I222 HydrophobicContact CD-CG2 4.22Å; K220-I222 HydrophobicContact CG-CG2 4.07Å
223	G	82	Confident	94.2	Very high	45 Å²	45	62.5 Å²	62.5	46%	0.464	37%	0.368	S	S	.	.			trans	-68.3	0	173.2	0	0	0	0	0	113.4	F130	F130-G223 WeakPolarHBondContact CB-OXT 3.41Å; F130-G223 VanDerWaalsContact CD1-C 3.46Å; F130-G223 WeakPolarHBondContact CD1-O 3.44Å

Retrieved 223 of 223 residues in 242 ms (Link to these results)

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