A0A077YZH4_TRITR Loading...

UPF0183 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZH4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 125 aa.

						>A0A077YZH4_TRITR|A0A077YZH4
MDVLFDATMNTAKKFILHTNFPGHYDFSIYYRCNFALALGSSSSIVLTAQSKWSEIESFLSCDEEPSLPEEKLESRKLQQPVVLNRCSSNNDSNPFGSTFCFGLQDVIFEVMANDHIATVMLLNS
					

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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	94	Very high	95.4	Very high	114 Å²	114	94.5 Å²	94.5	56%	0.562	52%	0.523	S	S	*	.				0	131	0	170.9	-165.5	-82	0	0	105.7	V3 I16 L17	M1-V3 HydrophobicContact CG-CG2 4.41Å; M1-V3 HydrophobicContact SD-CG2 4.33Å; M1-I16 CarbonylContact C-O 3.59Å; M1-I16 WeakPolarHBondContact CA-O 3.38Å; M1-L17 HydrophobicContact CE-CD2 3.51Å; M1-L17 HydrophobicContact CG-CD2 4.08Å
2	D	95.5	Very high	95.3	Very high	53 Å²	53	88.5 Å²	88.5	28%	0.283	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	146.4	176.3	-47.3	-36.2	0	0	0	109.5	F15 I16 H18 Y30	D2-F15 CarbonylContact O-C 3.54Å; D2-F15 WeakPolarHBondContact O-CA 3.38Å; D2-I16 HydrophobicContact CB-CB 4.13Å; D2-I16 HydrophobicContact CB-CD1 4.24Å; D2-I16 HydrophobicContact CB-CG1 4.38Å; D2-I16 PolarHBondContact N-O 2.87Å; D2-I16 PolarHBondContact O-N 2.84Å; D2-H18 IonicContact OD2-CD2 3.83Å; D2-H18 IonicContact OD2-CE1 3.82Å; D2-H18 IonicContact OD2-NE2 3.54Å; D2-H18 PolarHBondContact OD2-NE2 3.38Å; D2-Y30 WeakPolarHBondContact OD1-CE1 3.37Å; D2-Y30 WeakPolarHBondContact OD2-CE1 3.46Å
3	V	96.1	Very high	95.3	Very high	50 Å²	50	89.2 Å²	89.2	30%	0.303	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	125.2	179.8	-170.7	0	0	0	0	109.2	M1 F5 A12 K14 F15	M1-V3 HydrophobicContact CG-CG2 4.41Å; M1-V3 HydrophobicContact SD-CG2 4.33Å; V3-F5 HydrophobicContact CB-CD2 4.45Å; V3-F5 HydrophobicContact CB-CE2 3.78Å; V3-F5 HydrophobicContact CB-CZ 4.1Å; V3-F5 HydrophobicContact CG1-CD2 4.12Å; V3-F5 HydrophobicContact CG1-CE1 4.09Å; V3-F5 HydrophobicContact CG1-CE2 3.61Å; V3-F5 HydrophobicContact CG1-CZ 3.59Å; V3-A12 HydrophobicContact CG1-CB 3.92Å; V3-K14 CarbonylContact C-O 3.59Å; V3-K14 WeakPolarHBondContact CA-O 3.26Å; V3-F15 HydrophobicContact CB-CD1 4.44Å; V3-F15 HydrophobicContact CG1-CD1 4.06Å; V3-F15 HydrophobicContact CG1-CE1 3.84Å; V3-F15 HydrophobicContact CG1-CZ 4.25Å; V3-F15 HydrophobicContact CG2-CD1 3.67Å; V3-F15 HydrophobicContact CG2-CE1 3.87Å
4	L	96.5	Very high	95.4	Very high	97 Å²	97	86.6 Å²	86.6	51%	0.508	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	124.7	170.3	177.9	65.7	0	0	0	108.9	K13 K14	L4-K13 PolarHBondContact O-N 3.31Å; L4-K14 HydrophobicContact CB-CB 4.04Å; L4-K14 HydrophobicContact CD2-CB 4.37Å; L4-K14 PolarHBondContact N-O 2.88Å; L4-K14 PolarHBondContact O-N 3.28Å
5	F	96.3	Very high	95.5	Very high	135 Å²	135	85.7 Å²	85.7	59%	0.592	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	144.2	177.4	-67.3	-87.1	0	0	0	111.6	V3 T11 A12	V3-F5 HydrophobicContact CB-CD2 4.45Å; V3-F5 HydrophobicContact CB-CE2 3.78Å; V3-F5 HydrophobicContact CB-CZ 4.1Å; V3-F5 HydrophobicContact CG1-CD2 4.12Å; V3-F5 HydrophobicContact CG1-CE1 4.09Å; V3-F5 HydrophobicContact CG1-CE2 3.61Å; V3-F5 HydrophobicContact CG1-CZ 3.59Å; F5-T11 CarbonylContact C-O 3.57Å; F5-T11 WeakPolarHBondContact CA-O 3.33Å; F5-A12 HydrophobicContact CD1-CB 4.28Å; F5-A12 HydrophobicContact CE1-CB 4.15Å
6	D	95.5	Very high	95.6	Very high	43 Å²	43	82.6 Å²	82.6	23%	0.23	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	111.3	159.7	-169.8	-46.2	0	0	0	108.7	T8 M9 N10 T11	D6-T8 VanDerWaalsContact C-N 3.26Å; D6-T8 PolarHBondContact O-N 2.8Å; D6-T8 WeakPolarHBondContact OD1-CA 3.37Å; D6-T8 WeakPolarHBondContact OD1-CB 3.19Å; D6-T8 PolarHBondContact OD1-N 2.83Å; D6-M9 HydrophobicContact CB-CB 4.41Å; D6-M9 PolarHBondContact OD1-N 3.36Å; D6-M9 VanDerWaalsContact OD1-N 3.09Å; D6-N10 VanDerWaalsContact O-CA 3.26Å; D6-N10 WeakPolarHBondContact O-CA 3.5Å; D6-N10 PolarHBondContact O-N 2.8Å; D6-T11 PolarHBondContact N-O 3.32Å; D6-T11 PolarHBondContact O-N 3.09Å
7	A	95.2	Very high	95.7	Very high	88 Å²	88	78.1 Å²	78.1	73%	0.727	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-17.8	-177.6	0	0	0	0	0	113.8
8	T	96.2	Very high	95.8	Very high	132 Å²	132	74.4 Å²	74.4	81%	0.81	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-44.7	179.1	-50.5	0	0	0	0	110.3	D6	D6-T8 VanDerWaalsContact C-N 3.26Å; D6-T8 PolarHBondContact O-N 2.8Å; D6-T8 WeakPolarHBondContact OD1-CA 3.37Å; D6-T8 WeakPolarHBondContact OD1-CB 3.19Å; D6-T8 PolarHBondContact OD1-N 2.83Å
9	M	95.4	Very high	95.9	Very high	133 Å²	133	70.5 Å²	70.5	66%	0.655	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-8.8	-179	-64.1	-175.7	67.6	0	0	113.4	D6 T11	D6-M9 HydrophobicContact CB-CB 4.41Å; D6-M9 PolarHBondContact OD1-N 3.36Å; D6-M9 VanDerWaalsContact OD1-N 3.09Å; M9-T11 HydrophobicContact CB-CG2 4.1Å; M9-T11 PolarHBondContact O-N 3.25Å
10	N	93.5	Very high	95.9	Very high	140 Å²	140	68.8 Å²	68.8	75%	0.749	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	36.8	-171.8	-64.6	-53.6	0	0	0	112.8	D6	D6-N10 VanDerWaalsContact O-CA 3.26Å; D6-N10 WeakPolarHBondContact O-CA 3.5Å; D6-N10 PolarHBondContact O-N 2.8Å
11	T	95.1	Very high	96	Very high	54 Å²	54	66.7 Å²	66.7	33%	0.331	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	151.4	-179.1	52.5	0	0	0	0	111	F5 D6 M9	F5-T11 CarbonylContact C-O 3.57Å; F5-T11 WeakPolarHBondContact CA-O 3.33Å; D6-T11 PolarHBondContact N-O 3.32Å; D6-T11 PolarHBondContact O-N 3.09Å; M9-T11 HydrophobicContact CB-CG2 4.1Å; M9-T11 PolarHBondContact O-N 3.25Å
12	A	94.7	Very high	96	Very high	23 Å²	23	64.9 Å²	64.9	19%	0.19	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	125.7	166.9	0	0	0	0	0	109	V3 F5 F15 N124	V3-A12 HydrophobicContact CG1-CB 3.92Å; F5-A12 HydrophobicContact CD1-CB 4.28Å; F5-A12 HydrophobicContact CE1-CB 4.15Å; A12-F15 HydrophobicContact CB-CE1 4.34Å; A12-F15 HydrophobicContact CB-CE2 3.61Å; A12-F15 HydrophobicContact CB-CZ 3.43Å; A12-F15 VanDerWaalsContact CB-CZ 3.43Å; A12-N124 PolarHBondContact O-ND2 2.87Å
13	K	95.1	Very high	95.8	Very high	97 Å²	97	63.8 Å²	63.8	42%	0.422	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-31.6	-179.5	-171.2	167.5	-171.5	163.4	0	112.5	L4 N124	L4-K13 PolarHBondContact O-N 3.31Å; K13-N124 PolarHBondContact O-N 2.85Å
14	K	96.4	Very high	95.7	Very high	54 Å²	54	62 Å²	62	24%	0.235	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	135.2	-177.3	161.3	179.7	172	168.7	0	111.8	V3 L4 I16 M121 L122 L123	V3-K14 CarbonylContact C-O 3.59Å; V3-K14 WeakPolarHBondContact CA-O 3.26Å; L4-K14 HydrophobicContact CB-CB 4.04Å; L4-K14 HydrophobicContact CD2-CB 4.37Å; L4-K14 PolarHBondContact N-O 2.88Å; L4-K14 PolarHBondContact O-N 3.28Å; K14-I16 HydrophobicContact CG-CG1 4.23Å; K14-M121 HydrophobicContact CD-CG 4.16Å; K14-M121 HydrophobicContact CD-SD 3.95Å; K14-M121 WeakPolarHBondContact CE-SD 3.31Å; K14-M121 HydrophobicContact CG-CG 4.08Å; K14-M121 PolarHBondContact NZ-SD 2.74Å; K14-L122 CarbonylContact C-O 3.55Å; K14-L122 VanDerWaalsContact CA-O 3.23Å; K14-L122 WeakPolarHBondContact CA-O 3.49Å; K14-L123 HydrophobicContact CB-CD2 3.99Å; K14-L123 HydrophobicContact CD-CD2 3.83Å; K14-L123 HydrophobicContact CG-CD2 3.9Å
15	F	97.1	Very high	95.5	Very high	73 Å²	73	61.2 Å²	61.2	32%	0.32	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	139.9	171.2	-62.3	-97.2	0	0	0	109.5	D2 V3 A12 M121 L122	D2-F15 CarbonylContact O-C 3.54Å; D2-F15 WeakPolarHBondContact O-CA 3.38Å; V3-F15 HydrophobicContact CB-CD1 4.44Å; V3-F15 HydrophobicContact CG1-CD1 4.06Å; V3-F15 HydrophobicContact CG1-CE1 3.84Å; V3-F15 HydrophobicContact CG1-CZ 4.25Å; V3-F15 HydrophobicContact CG2-CD1 3.67Å; V3-F15 HydrophobicContact CG2-CE1 3.87Å; A12-F15 HydrophobicContact CB-CE1 4.34Å; A12-F15 HydrophobicContact CB-CE2 3.61Å; A12-F15 HydrophobicContact CB-CZ 3.43Å; A12-F15 VanDerWaalsContact CB-CZ 3.43Å; F15-M121 CarbonylContact O-C 3.58Å; F15-M121 VanDerWaalsContact O-CA 3.31Å; F15-M121 WeakPolarHBondContact O-CA 3.23Å; F15-L122 HydrophobicContact CB-CB 4.21Å; F15-L122 HydrophobicContact CB-CD1 4.47Å; F15-L122 PolarHBondContact N-O 2.81Å; F15-L122 PolarHBondContact O-N 2.94Å
16	I	97.1	Very high	95.3	Very high	35 Å²	35	56 Å²	56	18%	0.179	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	112.6	175.6	-48.2	-179	0	0	0	108.4	M1 D2 K14 H18 T119	M1-I16 CarbonylContact C-O 3.59Å; M1-I16 WeakPolarHBondContact CA-O 3.38Å; D2-I16 HydrophobicContact CB-CB 4.13Å; D2-I16 HydrophobicContact CB-CD1 4.24Å; D2-I16 HydrophobicContact CB-CG1 4.38Å; D2-I16 PolarHBondContact N-O 2.87Å; D2-I16 PolarHBondContact O-N 2.84Å; K14-I16 HydrophobicContact CG-CG1 4.23Å; I16-H18 WeakPolarHBondContact CG2-CE1 3.48Å; I16-T119 HydrophobicContact CG2-CG2 3.36Å
17	L	97.6	Very high	95.1	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.031	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	103.3	-178.4	-46	-178.7	0	0	0	109.1	M1 F35 L37 T119 V120 L122	M1-L17 HydrophobicContact CE-CD2 3.51Å; M1-L17 HydrophobicContact CG-CD2 4.08Å; L17-F35 HydrophobicContact CB-CD1 3.9Å; L17-F35 HydrophobicContact CB-CE1 3.89Å; L17-F35 HydrophobicContact CD1-CB 4.17Å; L17-F35 HydrophobicContact CD1-CD1 3.81Å; L17-F35 HydrophobicContact CD1-CD2 4.21Å; L17-F35 HydrophobicContact CD1-CE1 4.23Å; L17-F35 HydrophobicContact CD1-CG 3.81Å; L17-F35 HydrophobicContact CG-CD1 4.43Å; L17-L37 HydrophobicContact CD1-CD1 3.85Å; L17-T119 WeakPolarHBondContact O-CA 3.5Å; L17-V120 HydrophobicContact CB-CB 4.2Å; L17-V120 WeakPolarHBondContact CB-O 3.48Å; L17-V120 HydrophobicContact CD1-CB 4.31Å; L17-V120 HydrophobicContact CD1-CG1 4.47Å; L17-V120 PolarHBondContact N-O 2.79Å; L17-V120 PolarHBondContact O-N 3.01Å; L17-L122 HydrophobicContact CD1-CD1 4.24Å
18	H	97.4	Very high	95	Very high	12 Å²	12	58.3 Å²	58.3	6%	0.056	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	122.8	179.1	-58.2	-66.8	0	0	0	110.8	D2 I16 Y30 C33	D2-H18 IonicContact OD2-CD2 3.83Å; D2-H18 IonicContact OD2-CE1 3.82Å; D2-H18 IonicContact OD2-NE2 3.54Å; D2-H18 PolarHBondContact OD2-NE2 3.38Å; I16-H18 WeakPolarHBondContact CG2-CE1 3.48Å; H18-Y30 HydrophobicContact CB-CD2 4.38Å; H18-Y30 HydrophobicContact CB-CG 4.2Å; H18-Y30 AromaticContact CD2-CD1 3.48Å; H18-Y30 VanDerWaalsContact CD2-CD1 3.48Å; H18-Y30 WeakPolarHBondContact CD2-CD1 3.23Å; H18-Y30 AromaticContact CD2-CD2 3.7Å; H18-Y30 AromaticContact CD2-CE1 3.84Å; H18-Y30 AromaticContact CD2-CG 3.39Å; H18-Y30 AromaticContact CE1-CD2 3.86Å; H18-Y30 AromaticContact CE1-CE2 3.66Å; H18-Y30 AromaticContact CE1-CZ 3.94Å; H18-Y30 AromaticContact CG-CD2 3.77Å; H18-Y30 AromaticContact CG-CG 3.75Å; H18-Y30 AromaticContact ND1-CD2 3.91Å; H18-Y30 AromaticContact NE2-CD1 3.71Å; H18-Y30 AromaticContact NE2-CD2 3.76Å; H18-Y30 AromaticContact NE2-CE1 3.56Å; H18-Y30 AromaticContact NE2-CE2 3.62Å; H18-Y30 AromaticContact NE2-CG 3.81Å; H18-Y30 AromaticContact NE2-CZ 3.52Å; H18-C33 WeakPolarHBondContact O-CB 3.31Å; H18-C33 PolarHBondContact O-N 3.24Å
19	T	97.5	Very high	94.8	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.303	C	S	.	.			trans	-86.9	-17.6	179.1	64.6	0	0	0	0	112.9	F21 R32 F35 A49 I117 A118	T19-F21 VanDerWaalsContact OG1-CD2 3.3Å; T19-F21 WeakPolarHBondContact OG1-CD2 3.35Å; T19-R32 WeakPolarHBondContact O-CD 3.19Å; T19-R32 VanDerWaalsContact O-CG 3.22Å; T19-R32 WeakPolarHBondContact O-CG 3.48Å; T19-R32 PolarHBondContact O-NE 3.44Å; T19-F35 HydrophobicContact CG2-CE1 4.09Å; T19-F35 HydrophobicContact CG2-CZ 4.32Å; T19-A49 HydrophobicContact CG2-CB 4.35Å; T19-I117 VanDerWaalsContact CB-O 3.29Å; T19-I117 WeakPolarHBondContact CB-O 3.38Å; T19-I117 VanDerWaalsContact CG2-O 3.23Å; T19-I117 WeakPolarHBondContact CG2-O 3.14Å; T19-I117 PolarHBondContact OG1-O 3.06Å; T19-A118 PolarHBondContact N-O 3.32Å; T19-A118 WeakPolarHBondContact OG1-CA 3.35Å; T19-A118 PolarHBondContact OG1-O 2.8Å
20	N	96.2	Very high	94.7	Very high	36 Å²	36	54.5 Å²	54.5	19%	0.193	29%	0.286	C	S	.	.			trans	53.6	57.9	177.3	-169.3	40.5	0	0	0	113.2	F27 S28 Y30 R32	N20-F27 WeakPolarHBondContact OD1-CD2 3.37Å; N20-S28 PolarHBondContact OD1-N 2.87Å; N20-Y30 PolarHBondContact ND2-O 2.96Å; N20-Y30 PolarHBondContact OD1-O 2.82Å; N20-R32 HydrophobicContact CB-CB 4.15Å; N20-R32 PolarHBondContact O-NH2 3.12Å; N20-R32 VanDerWaalsContact O-NH2 3.15Å
21	F	96.5	Very high	94.7	Very high	26 Å²	26	58.3 Å²	58.3	11%	0.114	29%	0.291	C	S	.	.			trans	-87.9	141.2	170.1	-80.4	-74.4	0	0	0	111.8	T19 F27 A49 M112 H116	T19-F21 VanDerWaalsContact OG1-CD2 3.3Å; T19-F21 WeakPolarHBondContact OG1-CD2 3.35Å; F21-F27 VanDerWaalsContact C-CD2 3.45Å; F21-F27 VanDerWaalsContact O-CD2 3.32Å; F21-F27 WeakPolarHBondContact O-CD2 3.37Å; F21-A49 WeakPolarHBondContact CE2-O 3.39Å; F21-M112 HydrophobicContact CB-SD 3.98Å; F21-H116 HydrophobicContact CB-CB 4.32Å; F21-H116 HydrophobicContact CD1-CB 4.36Å; F21-H116 AromaticContact CD1-CG 3.9Å; F21-H116 AromaticContact CD1-ND1 3.76Å; F21-H116 HydrophobicContact CD2-CB 3.74Å; F21-H116 AromaticContact CD2-ND1 4Å; F21-H116 AromaticContact CE1-CE1 3.55Å; F21-H116 AromaticContact CE1-CG 3.99Å; F21-H116 AromaticContact CE1-ND1 3.35Å; F21-H116 VanDerWaalsContact CE1-ND1 3.35Å; F21-H116 WeakPolarHBondContact CE1-ND1 3.47Å; F21-H116 HydrophobicContact CE2-CB 4.1Å; F21-H116 AromaticContact CE2-ND1 3.61Å; F21-H116 HydrophobicContact CG-CB 3.89Å; F21-H116 AromaticContact CG-CG 3.95Å; F21-H116 AromaticContact CZ-CE1 3.82Å; F21-H116 AromaticContact CZ-ND1 3.27Å; F21-H116 VanDerWaalsContact CZ-ND1 3.27Å; F21-H116 WeakPolarHBondContact CZ-ND1 3.32Å
22	P	94.5	Very high	94.8	Very high	76 Å²	76	60.6 Å²	60.6	49%	0.494	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	146.3	170.5	-20.8	31.5	0	0	0	111.6	F27 M112	P22-F27 HydrophobicContact CB-CD2 4.43Å; P22-F27 HydrophobicContact CB-CE1 4.49Å; P22-F27 HydrophobicContact CB-CE2 4.17Å; P22-F27 HydrophobicContact CB-CZ 4.2Å; P22-F27 HydrophobicContact CG-CD2 4.39Å; P22-F27 HydrophobicContact CG-CE2 3.75Å; P22-F27 HydrophobicContact CG-CZ 3.88Å; P22-M112 WeakPolarHBondContact O-CE 3.24Å
23	G	92.5	Very high	94.9	Very high	29 Å²	29	60.3 Å²	60.3	30%	0.299	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	8.3	-176.9	0	0	0	0	0	114.1	F96 M112	G23-F96 WeakPolarHBondContact O-CB 3.46Å; G23-F96 VanDerWaalsContact O-CG 3.24Å; G23-F96 WeakPolarHBondContact O-CG 3.46Å; G23-M112 VanDerWaalsContact O-CE 3.23Å; G23-M112 WeakPolarHBondContact O-CE 3.49Å
24	H	93.9	Very high	95	Very high	12 Å²	12	61.8 Å²	61.8	6%	0.056	30%	0.303	C	S	.	.	S	Bend	trans	-101.9	151.8	170.4	-174.9	-104.2	0	0	0	110.5	D26 F27 F96 E110 M112 A118	H24-D26 VanDerWaalsContact C-N 3.29Å; H24-D26 IonicContact CE1-OD2 3.55Å; H24-D26 PolarHBondContact ND1-N 2.87Å; H24-D26 PolarHBondContact O-N 3.47Å; H24-F27 VanDerWaalsContact O-CB 3.24Å; H24-F27 WeakPolarHBondContact O-CB 3.49Å; H24-F27 PolarHBondContact O-N 2.69Å; H24-F27 VanDerWaalsContact O-N 3.11Å; H24-F96 WeakPolarHBondContact O-CE2 3.23Å; H24-E110 IonicContact CD2-OE1 3.77Å; H24-E110 IonicContact CE1-OE1 3.83Å; H24-E110 IonicContact NE2-OE1 3.11Å; H24-E110 PolarHBondContact NE2-OE1 2.87Å; H24-E110 IonicContact NE2-OE2 2.62Å; H24-M112 HydrophobicContact CB-CE 3.84Å; H24-M112 HydrophobicContact CB-SD 3.89Å; H24-A118 HydrophobicContact CB-CB 4.42Å; H24-A118 WeakPolarHBondContact CD2-CB 3.16Å; H24-A118 WeakPolarHBondContact NE2-CB 3.07Å
25	Y	91.7	Very high	94.9	Very high	82 Å²	82	60.7 Å²	60.7	32%	0.322	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-37.5	179.5	-178.2	-92.4	0	0	0	112.9	F27 R86 S88 N94	Y25-F27 VanDerWaalsContact C-N 3.33Å; Y25-R86 HydrophobicContact CD1-CB 4.1Å; Y25-R86 HydrophobicContact CD2-CB 4.11Å; Y25-R86 HydrophobicContact CE1-CB 4.4Å; Y25-R86 HydrophobicContact CE2-CB 4.38Å; Y25-R86 HydrophobicContact CG-CB 3.96Å; Y25-S88 WeakPolarHBondContact OH-CB 2.89Å; Y25-N94 HydrophobicContact CD2-CB 3.79Å; Y25-N94 HydrophobicContact CE2-CB 4.23Å
26	D	91.6	Very high	94.8	Very high	24 Å²	24	60.8 Å²	60.8	13%	0.128	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	14.9	178.9	-63.3	-19.1	0	0	0	113.2	H24 S28 I29 Y30 R86	H24-D26 VanDerWaalsContact C-N 3.29Å; H24-D26 IonicContact CE1-OD2 3.55Å; H24-D26 PolarHBondContact ND1-N 2.87Å; H24-D26 PolarHBondContact O-N 3.47Å; D26-S28 PolarHBondContact O-N 3.24Å; D26-I29 HydrophobicContact CB-CB 4.43Å; D26-I29 HydrophobicContact CB-CD1 3.99Å; D26-I29 HydrophobicContact CB-CG1 4.43Å; D26-I29 WeakPolarHBondContact O-CB 3.45Å; D26-I29 WeakPolarHBondContact O-CG1 3.3Å; D26-I29 PolarHBondContact O-N 3.29Å; D26-Y30 HydrophobicContact CB-CD2 4.39Å; D26-Y30 HydrophobicContact CB-CE2 4.35Å; D26-R86 IonicContact OD1-NH1 3.61Å; D26-R86 PolarHBondContact OD1-NH1 3.33Å; D26-R86 VanDerWaalsContact OD1-NH1 3.11Å; D26-R86 IonicContact OD2-CZ 2.74Å; D26-R86 IonicContact OD2-NH1 3.68Å; D26-R86 PolarHBondContact OD2-NH1 2.92Å; D26-R86 IonicContact OD2-NH2 2.84Å
27	F	92.5	Very high	94.5	Very high	89 Å²	89	61.1 Å²	61.1	39%	0.39	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	134.2	-179.2	177.5	-112.5	0	0	0	110.9	N20 F21 P22 H24 Y25 I29	N20-F27 WeakPolarHBondContact OD1-CD2 3.37Å; F21-F27 VanDerWaalsContact C-CD2 3.45Å; F21-F27 VanDerWaalsContact O-CD2 3.32Å; F21-F27 WeakPolarHBondContact O-CD2 3.37Å; P22-F27 HydrophobicContact CB-CD2 4.43Å; P22-F27 HydrophobicContact CB-CE1 4.49Å; P22-F27 HydrophobicContact CB-CE2 4.17Å; P22-F27 HydrophobicContact CB-CZ 4.2Å; P22-F27 HydrophobicContact CG-CD2 4.39Å; P22-F27 HydrophobicContact CG-CE2 3.75Å; P22-F27 HydrophobicContact CG-CZ 3.88Å; H24-F27 VanDerWaalsContact O-CB 3.24Å; H24-F27 WeakPolarHBondContact O-CB 3.49Å; H24-F27 PolarHBondContact O-N 2.69Å; H24-F27 VanDerWaalsContact O-N 3.11Å; Y25-F27 VanDerWaalsContact C-N 3.33Å; F27-I29 PolarHBondContact O-N 3.04Å
28	S	92.5	Very high	94.1	Very high	92 Å²	92	64.8 Å²	64.8	64%	0.643	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	1.8	-176.8	-167.2	0	0	0	0	116.4	N20 D26	N20-S28 PolarHBondContact OD1-N 2.87Å; D26-S28 PolarHBondContact O-N 3.24Å
29	I	92.3	Very high	93.3	Very high	108 Å²	108	65.3 Å²	65.3	55%	0.554	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-38.6	171.3	-59.3	-177.6	0	0	0	110.7	D26 F27	D26-I29 HydrophobicContact CB-CB 4.43Å; D26-I29 HydrophobicContact CB-CD1 3.99Å; D26-I29 HydrophobicContact CB-CG1 4.43Å; D26-I29 WeakPolarHBondContact O-CB 3.45Å; D26-I29 WeakPolarHBondContact O-CG1 3.3Å; D26-I29 PolarHBondContact O-N 3.29Å; F27-I29 PolarHBondContact O-N 3.04Å
30	Y	92.5	Very high	92.1	Very high	77 Å²	77	67.3 Å²	67.3	30%	0.302	37%	0.37	S	S	.	.	S	Bend	trans	-117	145.6	-178.3	-58.4	-83.4	0	0	0	111.6	D2 H18 N20 D26	D2-Y30 WeakPolarHBondContact OD1-CE1 3.37Å; D2-Y30 WeakPolarHBondContact OD2-CE1 3.46Å; H18-Y30 HydrophobicContact CB-CD2 4.38Å; H18-Y30 HydrophobicContact CB-CG 4.2Å; H18-Y30 AromaticContact CD2-CD1 3.48Å; H18-Y30 VanDerWaalsContact CD2-CD1 3.48Å; H18-Y30 WeakPolarHBondContact CD2-CD1 3.23Å; H18-Y30 AromaticContact CD2-CD2 3.7Å; H18-Y30 AromaticContact CD2-CE1 3.84Å; H18-Y30 AromaticContact CD2-CG 3.39Å; H18-Y30 AromaticContact CE1-CD2 3.86Å; H18-Y30 AromaticContact CE1-CE2 3.66Å; H18-Y30 AromaticContact CE1-CZ 3.94Å; H18-Y30 AromaticContact CG-CD2 3.77Å; H18-Y30 AromaticContact CG-CG 3.75Å; H18-Y30 AromaticContact ND1-CD2 3.91Å; H18-Y30 AromaticContact NE2-CD1 3.71Å; H18-Y30 AromaticContact NE2-CD2 3.76Å; H18-Y30 AromaticContact NE2-CE1 3.56Å; H18-Y30 AromaticContact NE2-CE2 3.62Å; H18-Y30 AromaticContact NE2-CG 3.81Å; H18-Y30 AromaticContact NE2-CZ 3.52Å; N20-Y30 PolarHBondContact ND2-O 2.96Å; N20-Y30 PolarHBondContact OD1-O 2.82Å; D26-Y30 HydrophobicContact CB-CD2 4.39Å; D26-Y30 HydrophobicContact CB-CE2 4.35Å
31	Y	94.7	Very high	90.6	Very high	219 Å²	219	70 Å²	70	86%	0.859	39%	0.391	S	S	*	.			trans	-65.7	144.8	161.6	-69.7	-74.9	0	0	0	110.4	C33	Y31-C33 PolarHBondContact O-N 2.86Å
32	R	96.5	Very high	88.9	Confident	102 Å²	102	73.1 Å²	73.1	39%	0.385	42%	0.416	S	S	.	.			trans	-57.6	121.1	174	176.9	172.8	-60.2	134.9	6.3	109.9	T19 N20 N34 A49	T19-R32 WeakPolarHBondContact O-CD 3.19Å; T19-R32 VanDerWaalsContact O-CG 3.22Å; T19-R32 WeakPolarHBondContact O-CG 3.48Å; T19-R32 PolarHBondContact O-NE 3.44Å; N20-R32 HydrophobicContact CB-CB 4.15Å; N20-R32 PolarHBondContact O-NH2 3.12Å; N20-R32 VanDerWaalsContact O-NH2 3.15Å; R32-N34 PolarHBondContact O-N 3.18Å; R32-A49 HydrophobicContact CG-CB 4.36Å
33	C	96.9	Very high	87.1	Confident	17 Å²	17	74.6 Å²	74.6	12%	0.115	43%	0.428	C	S	.	.			trans	-80.9	109.7	169.5	-171.9	0	0	0	0	108.7	H18 Y31 F35 A49	H18-C33 WeakPolarHBondContact O-CB 3.31Å; H18-C33 PolarHBondContact O-N 3.24Å; Y31-C33 PolarHBondContact O-N 2.86Å; C33-F35 VanDerWaalsContact O-CD1 3.23Å; C33-F35 WeakPolarHBondContact O-CD1 3.49Å; C33-A49 VanDerWaalsContact O-CB 3.3Å; C33-A49 WeakPolarHBondContact O-CB 3.48Å
34	N	96.2	Very high	86.1	Confident	129 Å²	129	77.8 Å²	77.8	69%	0.69	45%	0.446	S	S	*	.			trans	-76.9	132.6	168.8	-67.3	-37.9	0	0	0	109.1	R32	R32-N34 PolarHBondContact O-N 3.18Å
35	F	95.7	Very high	85.5	Confident	31 Å²	31	78.7 Å²	78.7	14%	0.136	45%	0.451	C	S	.	.			trans	-149.3	162.4	178.2	59.4	-96.7	0	0	0	110.4	L17 T19 C33 L37 L47 T48 A49 V120	L17-F35 HydrophobicContact CB-CD1 3.9Å; L17-F35 HydrophobicContact CB-CE1 3.89Å; L17-F35 HydrophobicContact CD1-CB 4.17Å; L17-F35 HydrophobicContact CD1-CD1 3.81Å; L17-F35 HydrophobicContact CD1-CD2 4.21Å; L17-F35 HydrophobicContact CD1-CE1 4.23Å; L17-F35 HydrophobicContact CD1-CG 3.81Å; L17-F35 HydrophobicContact CG-CD1 4.43Å; T19-F35 HydrophobicContact CG2-CE1 4.09Å; T19-F35 HydrophobicContact CG2-CZ 4.32Å; C33-F35 VanDerWaalsContact O-CD1 3.23Å; C33-F35 WeakPolarHBondContact O-CD1 3.49Å; F35-L37 HydrophobicContact CD2-CD1 3.8Å; F35-L37 HydrophobicContact CD2-CG 3.8Å; F35-L37 HydrophobicContact CE2-CD1 3.96Å; F35-L37 HydrophobicContact CE2-CG 4.37Å; F35-L47 HydrophobicContact CE2-CD2 3.89Å; F35-L47 HydrophobicContact CE2-CG 3.91Å; F35-T48 WeakPolarHBondContact O-CA 3.34Å; F35-A49 HydrophobicContact CD1-CB 4.09Å; F35-A49 HydrophobicContact CE1-CB 3.78Å; F35-A49 HydrophobicContact CZ-CB 4.27Å; F35-V120 HydrophobicContact CE1-CG2 4.41Å; F35-V120 HydrophobicContact CE2-CG2 4.18Å; F35-V120 HydrophobicContact CZ-CB 4.31Å; F35-V120 HydrophobicContact CZ-CG2 3.62Å
36	A	94.3	Very high	85.4	Confident	75 Å²	75	78.8 Å²	78.8	62%	0.62	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.5	112.9	170.2	0	0	0	0	0	107.4	V46 L47	A36-V46 HydrophobicContact CB-CG1 3.78Å; A36-L47 CarbonylContact C-O 3.55Å; A36-L47 VanDerWaalsContact CA-O 3.31Å; A36-L47 WeakPolarHBondContact CA-O 3.47Å
37	L	91.3	Very high	85.4	Confident	41 Å²	41	77.7 Å²	77.7	22%	0.215	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120.2	-178.1	-66	171.9	0	0	0	108.9	L17 F35 L39 V46 L47 V120 L122	L17-L37 HydrophobicContact CD1-CD1 3.85Å; F35-L37 HydrophobicContact CD2-CD1 3.8Å; F35-L37 HydrophobicContact CD2-CG 3.8Å; F35-L37 HydrophobicContact CE2-CD1 3.96Å; F35-L37 HydrophobicContact CE2-CG 4.37Å; L37-L39 HydrophobicContact CB-CD1 4.35Å; L37-V46 CarbonylContact O-C 3.5Å; L37-V46 WeakPolarHBondContact O-CA 3.47Å; L37-L47 HydrophobicContact CB-CB 4.21Å; L37-L47 HydrophobicContact CB-CD2 4.4Å; L37-L47 HydrophobicContact CD1-CD2 4.1Å; L37-L47 PolarHBondContact N-O 3.22Å; L37-L47 WeakPolarHBondContact O-CB 3.41Å; L37-L47 PolarHBondContact O-N 2.79Å; L37-V120 HydrophobicContact CD1-CG1 3.96Å; L37-L122 HydrophobicContact CD1-CD1 4.36Å; L37-L122 HydrophobicContact CD1-CD2 4.05Å; L37-L122 HydrophobicContact CD2-CD1 4.07Å
38	A	88.5	Confident	85.6	Confident	84 Å²	84	75.9 Å²	75.9	69%	0.694	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	122.1	171.1	0	0	0	0	0	108.9
39	L	80.6	Confident	85.7	Confident	23 Å²	23	71.7 Å²	71.7	12%	0.12	42%	0.421	C	S	.	.			trans	-96.1	137.7	170.6	-76.4	67.5	0	0	0	108.9	L37 I45 L47 I56 L104 F109	L37-L39 HydrophobicContact CB-CD1 4.35Å; L39-I45 HydrophobicContact CB-CG2 3.7Å; L39-I45 PolarHBondContact N-O 3.45Å; L39-L47 HydrophobicContact CD1-CB 3.57Å; L39-L47 HydrophobicContact CD1-CD2 4.16Å; L39-L47 HydrophobicContact CD1-CG 4.47Å; L39-I56 HydrophobicContact CD2-CG2 4.19Å; L39-L104 HydrophobicContact CD2-CD2 4.06Å; L39-F109 HydrophobicContact CD2-CZ 4.09Å
40	G	73	Confident	85.9	Confident	42 Å²	42	73 Å²	73	43%	0.433	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	162.6	176.7	0	0	0	0	0	115.1
41	S	65.4	Low	86.1	Confident	91 Å²	91	70 Å²	70	64%	0.636	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-25.6	-175.8	52.4	0	0	0	0	114.2	R76	S41-R76 PolarHBondContact OG-NH2 3.03Å
42	S	60.2	Low	86.2	Confident	92 Å²	92	63.7 Å²	63.7	64%	0.643	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	12.3	-167.5	-51.6	0	0	0	0	113.8
43	S	56.6	Low	86.1	Confident	107 Å²	107	59.3 Å²	59.3	75%	0.748	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	116.2	175.7	59.3	0	0	0	0	116.5
44	S	70.9	Confident	86	Confident	97 Å²	97	61 Å²	61	68%	0.678	39%	0.387	S	S	*	.			trans	-155.2	-41.3	148	-165.7	0	0	0	0	112.2
45	I	80.8	Confident	85.8	Confident	30 Å²	30	59.7 Å²	59.7	15%	0.154	38%	0.377	C	S	.	.			trans	-94.5	122	-176.5	-157.7	166.1	0	0	0	112.6	L39 I56 F59	L39-I45 HydrophobicContact CB-CG2 3.7Å; L39-I45 PolarHBondContact N-O 3.45Å; I45-I56 HydrophobicContact CD1-CG1 4.3Å; I45-F59 HydrophobicContact CB-CD1 3.91Å; I45-F59 HydrophobicContact CB-CD2 4.4Å; I45-F59 HydrophobicContact CB-CE1 3.93Å; I45-F59 HydrophobicContact CB-CE2 4.46Å; I45-F59 HydrophobicContact CB-CG 4.14Å; I45-F59 HydrophobicContact CB-CZ 4.23Å; I45-F59 HydrophobicContact CD1-CB 3.88Å; I45-F59 HydrophobicContact CD1-CD1 4.23Å; I45-F59 HydrophobicContact CD1-CG 4.01Å; I45-F59 HydrophobicContact CG2-CD1 3.51Å; I45-F59 HydrophobicContact CG2-CE1 3.46Å; I45-F59 VanDerWaalsContact CG2-CE1 3.46Å; I45-F59 HydrophobicContact CG2-CG 4.22Å; I45-F59 HydrophobicContact CG2-CZ 4.18Å
46	V	90.1	Very high	85.5	Confident	85 Å²	85	58.2 Å²	58.2	52%	0.515	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	106.9	165.7	179.5	0	0	0	0	107.5	A36 L37 T48	A36-V46 HydrophobicContact CB-CG1 3.78Å; L37-V46 CarbonylContact O-C 3.5Å; L37-V46 WeakPolarHBondContact O-CA 3.47Å; V46-T48 HydrophobicContact CG1-CG2 4.33Å
47	L	92.4	Very high	85.3	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	131.4	172	177.1	79	0	0	0	109.9	F35 A36 L37 L39 I56 F109 I117 V120	F35-L47 HydrophobicContact CE2-CD2 3.89Å; F35-L47 HydrophobicContact CE2-CG 3.91Å; A36-L47 CarbonylContact C-O 3.55Å; A36-L47 VanDerWaalsContact CA-O 3.31Å; A36-L47 WeakPolarHBondContact CA-O 3.47Å; L37-L47 HydrophobicContact CB-CB 4.21Å; L37-L47 HydrophobicContact CB-CD2 4.4Å; L37-L47 HydrophobicContact CD1-CD2 4.1Å; L37-L47 PolarHBondContact N-O 3.22Å; L37-L47 WeakPolarHBondContact O-CB 3.41Å; L37-L47 PolarHBondContact O-N 2.79Å; L39-L47 HydrophobicContact CD1-CB 3.57Å; L39-L47 HydrophobicContact CD1-CD2 4.16Å; L39-L47 HydrophobicContact CD1-CG 4.47Å; L47-I56 HydrophobicContact CD1-CD1 3.13Å; L47-I56 HydrophobicContact CD1-CG1 3.74Å; L47-F109 HydrophobicContact CD2-CD1 4.42Å; L47-F109 HydrophobicContact CD2-CE1 3.56Å; L47-F109 HydrophobicContact CD2-CZ 4.38Å; L47-I117 HydrophobicContact CD1-CD1 3.83Å; L47-V120 HydrophobicContact CD2-CG1 4.43Å; L47-V120 HydrophobicContact CD2-CG2 4.1Å
48	T	95.9	Very high	85.2	Confident	50 Å²	50	59.5 Å²	59.5	31%	0.307	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	170.7	175	72.4	0	0	0	0	111	F35 V46 Q50 S51	F35-T48 WeakPolarHBondContact O-CA 3.34Å; V46-T48 HydrophobicContact CG1-CG2 4.33Å; T48-Q50 PolarHBondContact O-N 3.32Å; T48-Q50 PolarHBondContact OG1-N 3.19Å; T48-S51 PolarHBondContact N-OG 3.09Å; T48-S51 WeakPolarHBondContact O-CB 3.4Å; T48-S51 PolarHBondContact O-N 3.06Å; T48-S51 VanDerWaalsContact O-N 3.11Å; T48-S51 PolarHBondContact O-OG 2.82Å; T48-S51 PolarHBondContact OG1-N 2.93Å; T48-S51 PolarHBondContact OG1-OG 2.79Å
49	A	96	Very high	84.9	Confident	5 Å²	5	57.3 Å²	57.3	4%	0.041	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-10.8	173.4	0	0	0	0	0	114.1	T19 F21 R32 C33 F35	T19-A49 HydrophobicContact CG2-CB 4.35Å; F21-A49 WeakPolarHBondContact CE2-O 3.39Å; R32-A49 HydrophobicContact CG-CB 4.36Å; C33-A49 VanDerWaalsContact O-CB 3.3Å; C33-A49 WeakPolarHBondContact O-CB 3.48Å; F35-A49 HydrophobicContact CD1-CB 4.09Å; F35-A49 HydrophobicContact CE1-CB 3.78Å; F35-A49 HydrophobicContact CZ-CB 4.27Å
50	Q	96.1	Very high	85	Confident	134 Å²	134	57.7 Å²	57.7	63%	0.626	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-6.4	178.7	-64.5	-178	-2.2	0	0	113.6	T48	T48-Q50 PolarHBondContact O-N 3.32Å; T48-Q50 PolarHBondContact OG1-N 3.19Å
51	S	95.6	Very high	85.3	Confident	14 Å²	14	59.5 Å²	59.5	10%	0.098	35%	0.353	C	S	.	.			trans	-62.8	144	179.6	-64.2	0	0	0	0	111.1	T48	T48-S51 PolarHBondContact N-OG 3.09Å; T48-S51 WeakPolarHBondContact O-CB 3.4Å; T48-S51 PolarHBondContact O-N 3.06Å; T48-S51 VanDerWaalsContact O-N 3.11Å; T48-S51 PolarHBondContact O-OG 2.82Å; T48-S51 PolarHBondContact OG1-N 2.93Å; T48-S51 PolarHBondContact OG1-OG 2.79Å
52	K	96.4	Very high	85.4	Confident	87 Å²	87	60 Å²	60	38%	0.378	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-91.1	153.2	176.1	-69.3	-177.6	177.2	-177	0	111.2	E55 I56 D115	K52-E55 HydrophobicContact CB-CG 4.24Å; K52-E55 PolarHBondContact O-N 2.99Å; K52-I56 VanDerWaalsContact O-CD1 3.29Å; K52-I56 WeakPolarHBondContact O-CD1 3.44Å; K52-I56 WeakPolarHBondContact O-CG1 3.17Å; K52-D115 WeakPolarHBondContact CA-O 3.34Å; K52-D115 WeakPolarHBondContact CB-OD2 3.15Å
53	W	96	Very high	85.5	Confident	11 Å²	11	58.6 Å²	58.6	4%	0.042	34%	0.341	C	S	.	.	H	α-helix	trans	-64.1	-44.8	178.1	176.6	-107.3	0	0	0	112.1	E55 I56 E57 L78 F102 F109 V111 D115	W53-E55 VanDerWaalsContact C-N 3.26Å; W53-E55 PolarHBondContact O-N 3.34Å; W53-I56 HydrophobicContact CE3-CB 4.44Å; W53-I56 HydrophobicContact CE3-CD1 4.32Å; W53-I56 HydrophobicContact CZ3-CG2 4.21Å; W53-I56 WeakPolarHBondContact O-CB 3.3Å; W53-I56 PolarHBondContact O-N 2.9Å; W53-E57 HydrophobicContact CZ2-CB 4.3Å; W53-E57 PolarHBondContact NE1-OE1 2.95Å; W53-E57 WeakPolarHBondContact O-CB 3.45Å; W53-E57 PolarHBondContact O-N 2.62Å; W53-L78 HydrophobicContact CH2-CD1 3.78Å; W53-L78 HydrophobicContact CH2-CD2 4.43Å; W53-L78 HydrophobicContact CZ2-CD1 4.02Å; W53-L78 HydrophobicContact CZ2-CD2 3.9Å; W53-F102 HydrophobicContact CD2-CD2 4.3Å; W53-F102 HydrophobicContact CD2-CE2 4.36Å; W53-F102 AromaticContact CE2-CD2 3.75Å; W53-F102 AromaticContact CE2-CE2 3.72Å; W53-F102 AromaticContact CE2-CG 3.95Å; W53-F102 AromaticContact CE2-CZ 3.88Å; W53-F102 HydrophobicContact CH2-CB 3.45Å; W53-F102 VanDerWaalsContact CH2-CB 3.45Å; W53-F102 HydrophobicContact CH2-CD1 4.01Å; W53-F102 AromaticContact CH2-CD2 3.97Å; W53-F102 HydrophobicContact CH2-CD2 3.97Å; W53-F102 AromaticContact CH2-CG 3.56Å; W53-F102 HydrophobicContact CH2-CG 3.56Å; W53-F102 HydrophobicContact CZ2-CB 3.74Å; W53-F102 AromaticContact CZ2-CD1 3.37Å; W53-F102 HydrophobicContact CZ2-CD1 3.37Å; W53-F102 AromaticContact CZ2-CD2 3.58Å; W53-F102 HydrophobicContact CZ2-CD2 3.58Å; W53-F102 AromaticContact CZ2-CE1 3.73Å; W53-F102 HydrophobicContact CZ2-CE1 3.73Å; W53-F102 AromaticContact CZ2-CE2 3.93Å; W53-F102 HydrophobicContact CZ2-CE2 3.93Å; W53-F102 AromaticContact CZ2-CG 3.28Å; W53-F102 HydrophobicContact CZ2-CG 3.28Å; W53-F102 AromaticContact CZ2-CZ 3.99Å; W53-F102 HydrophobicContact CZ2-CZ 3.99Å; W53-F102 HydrophobicContact CZ3-CB 4.21Å; W53-F102 HydrophobicContact CZ3-CD2 4.47Å; W53-F102 HydrophobicContact CZ3-CG 4.41Å; W53-F102 AromaticContact NE1-CE2 3.74Å; W53-F102 AromaticContact NE1-CZ 3.61Å; W53-F109 HydrophobicContact CE3-CB 4.15Å; W53-F109 HydrophobicContact CE3-CG 4.38Å; W53-F109 HydrophobicContact CH2-CB 4.42Å; W53-F109 HydrophobicContact CH2-CD2 4.1Å; W53-F109 HydrophobicContact CH2-CG 4.47Å; W53-F109 HydrophobicContact CZ3-CB 3.64Å; W53-F109 HydrophobicContact CZ3-CD1 4.41Å; W53-F109 AromaticContact CZ3-CD2 3.62Å; W53-F109 HydrophobicContact CZ3-CD2 3.62Å; W53-F109 HydrophobicContact CZ3-CE2 4.39Å; W53-F109 AromaticContact CZ3-CG 3.62Å; W53-F109 HydrophobicContact CZ3-CG 3.62Å; W53-V111 HydrophobicContact CB-CB 4.39Å; W53-V111 HydrophobicContact CB-CG1 3.49Å; W53-V111 VanDerWaalsContact CB-CG1 3.49Å; W53-V111 HydrophobicContact CB-CG2 3.94Å; W53-V111 HydrophobicContact CD2-CG1 4.38Å; W53-V111 HydrophobicContact CD2-CG2 3.48Å; W53-V111 VanDerWaalsContact CD2-CG2 3.48Å; W53-V111 HydrophobicContact CE3-CG2 3.52Å; W53-V111 HydrophobicContact CG-CB 4.28Å; W53-V111 HydrophobicContact CG-CG1 3.65Å; W53-V111 HydrophobicContact CG-CG2 3.66Å; W53-V111 HydrophobicContact CZ3-CG2 4.27Å; W53-D115 WeakPolarHBondContact CB-OD1 3.28Å; W53-D115 PolarHBondContact N-O 3.44Å; W53-D115 PolarHBondContact N-OD1 3.34Å
54	S	94.6	Very high	85.7	Confident	51 Å²	51	60 Å²	60	36%	0.357	34%	0.335	S	S	.	.	H	α-helix	trans	-54.2	-37.4	178.3	57.6	0	0	0	0	114.3	I56 S58 D115	S54-I56 VanDerWaalsContact C-N 3.34Å; S54-S58 WeakPolarHBondContact O-CB 3.24Å; S54-S58 PolarHBondContact O-N 2.86Å; S54-S58 PolarHBondContact O-OG 3.11Å; S54-D115 WeakPolarHBondContact CB-OD2 3.26Å; S54-D115 PolarHBondContact N-OD1 3.09Å; S54-D115 PolarHBondContact OG-OD2 3.03Å
55	E	91.4	Very high	85.1	Confident	102 Å²	102	60 Å²	60	48%	0.477	33%	0.325	S	S	.	.	H	α-helix	trans	-66.6	-36.5	176.1	-67.5	170.8	-162.3	0	0	111.9	K52 W53 S58 F59	K52-E55 HydrophobicContact CB-CG 4.24Å; K52-E55 PolarHBondContact O-N 2.99Å; W53-E55 VanDerWaalsContact C-N 3.26Å; W53-E55 PolarHBondContact O-N 3.34Å; E55-S58 PolarHBondContact O-OG 2.84Å; E55-S58 VanDerWaalsContact O-OG 3.07Å; E55-F59 PolarHBondContact O-N 2.85Å
56	I	90.1	Very high	84	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-77.5	-47	179.4	-60.2	152.5	0	0	0	110	L39 I45 L47 K52 W53 S54 S58 F59 L60 I117	L39-I56 HydrophobicContact CD2-CG2 4.19Å; I45-I56 HydrophobicContact CD1-CG1 4.3Å; L47-I56 HydrophobicContact CD1-CD1 3.13Å; L47-I56 HydrophobicContact CD1-CG1 3.74Å; K52-I56 VanDerWaalsContact O-CD1 3.29Å; K52-I56 WeakPolarHBondContact O-CD1 3.44Å; K52-I56 WeakPolarHBondContact O-CG1 3.17Å; W53-I56 HydrophobicContact CE3-CB 4.44Å; W53-I56 HydrophobicContact CE3-CD1 4.32Å; W53-I56 HydrophobicContact CZ3-CG2 4.21Å; W53-I56 WeakPolarHBondContact O-CB 3.3Å; W53-I56 PolarHBondContact O-N 2.9Å; S54-I56 VanDerWaalsContact C-N 3.34Å; I56-S58 VanDerWaalsContact C-N 3.34Å; I56-S58 PolarHBondContact O-N 2.71Å; I56-F59 PolarHBondContact O-N 2.84Å; I56-L60 HydrophobicContact CG2-CD1 3.78Å; I56-L60 HydrophobicContact CG2-CG 4.16Å; I56-L60 VanDerWaalsContact O-CG 3.26Å; I56-L60 WeakPolarHBondContact O-CG 3.24Å; I56-L60 PolarHBondContact O-N 2.95Å; I56-I117 HydrophobicContact CD1-CD1 3.29Å; I56-I117 HydrophobicContact CD1-CG1 4.44Å
57	E	89.7	Confident	82.8	Confident	77 Å²	77	64.7 Å²	64.7	36%	0.36	36%	0.361	S	S	.	.	H	α-helix	trans	-60.3	-42.8	-179.3	-176.7	175.9	-117.6	0	0	112	W53 F59 L60 S61 L78	W53-E57 HydrophobicContact CZ2-CB 4.3Å; W53-E57 PolarHBondContact NE1-OE1 2.95Å; W53-E57 WeakPolarHBondContact O-CB 3.45Å; W53-E57 PolarHBondContact O-N 2.62Å; E57-F59 PolarHBondContact O-N 2.86Å; E57-L60 PolarHBondContact O-N 3.27Å; E57-S61 WeakPolarHBondContact O-CB 3.44Å; E57-S61 PolarHBondContact O-N 3.12Å; E57-S61 PolarHBondContact O-OG 3.21Å; E57-L78 HydrophobicContact CG-CD2 4.39Å
58	S	88	Confident	81.3	Confident	65 Å²	65	67.4 Å²	67.4	46%	0.455	38%	0.375	S	S	.	.	H	α-helix	trans	-62.7	-41.7	175.7	56.9	0	0	0	0	112.1	S54 E55 I56 S61 C62	S54-S58 WeakPolarHBondContact O-CB 3.24Å; S54-S58 PolarHBondContact O-N 2.86Å; S54-S58 PolarHBondContact O-OG 3.11Å; E55-S58 PolarHBondContact O-OG 2.84Å; E55-S58 VanDerWaalsContact O-OG 3.07Å; I56-S58 VanDerWaalsContact C-N 3.34Å; I56-S58 PolarHBondContact O-N 2.71Å; S58-S61 PolarHBondContact O-N 3.37Å; S58-C62 PolarHBondContact O-N 2.97Å; S58-C62 PolarHBondContact O-SG 3.3Å; S58-C62 VanDerWaalsContact O-SG 3.37Å
59	F	83.2	Confident	80	Confident	39 Å²	39	68.8 Å²	68.8	17%	0.171	39%	0.385	C	S	.	.	H	α-helix	trans	-65.8	-46.4	177.1	-177	-97.7	0	0	0	112.1	I45 E55 I56 E57 S61 C62 D63	I45-F59 HydrophobicContact CB-CD1 3.91Å; I45-F59 HydrophobicContact CB-CD2 4.4Å; I45-F59 HydrophobicContact CB-CE1 3.93Å; I45-F59 HydrophobicContact CB-CE2 4.46Å; I45-F59 HydrophobicContact CB-CG 4.14Å; I45-F59 HydrophobicContact CB-CZ 4.23Å; I45-F59 HydrophobicContact CD1-CB 3.88Å; I45-F59 HydrophobicContact CD1-CD1 4.23Å; I45-F59 HydrophobicContact CD1-CG 4.01Å; I45-F59 HydrophobicContact CG2-CD1 3.51Å; I45-F59 HydrophobicContact CG2-CE1 3.46Å; I45-F59 VanDerWaalsContact CG2-CE1 3.46Å; I45-F59 HydrophobicContact CG2-CG 4.22Å; I45-F59 HydrophobicContact CG2-CZ 4.18Å; E55-F59 PolarHBondContact O-N 2.85Å; I56-F59 PolarHBondContact O-N 2.84Å; E57-F59 PolarHBondContact O-N 2.86Å; F59-S61 PolarHBondContact O-N 3.49Å; F59-C62 PolarHBondContact O-N 3.48Å; F59-D63 VanDerWaalsContact CE1-CG 3.48Å; F59-D63 WeakPolarHBondContact CE1-OD2 3.41Å; F59-D63 VanDerWaalsContact CZ-CG 3.47Å; F59-D63 VanDerWaalsContact CZ-OD1 3.31Å; F59-D63 WeakPolarHBondContact CZ-OD1 3.49Å; F59-D63 WeakPolarHBondContact CZ-OD2 3.32Å; F59-D63 PolarHBondContact O-N 3.18Å; F59-D63 VanDerWaalsContact O-N 3.09Å
60	L	81.9	Confident	78.6	Confident	31 Å²	31	76.3 Å²	76.3	16%	0.162	42%	0.42	C	S	.	.	H	α-helix	trans	-60.8	-28.6	176.9	-67.4	174.8	0	0	0	112.7	I56 E57 L78 L104	I56-L60 HydrophobicContact CG2-CD1 3.78Å; I56-L60 HydrophobicContact CG2-CG 4.16Å; I56-L60 VanDerWaalsContact O-CG 3.26Å; I56-L60 WeakPolarHBondContact O-CG 3.24Å; I56-L60 PolarHBondContact O-N 2.95Å; E57-L60 PolarHBondContact O-N 3.27Å; L60-L78 HydrophobicContact CD1-CD1 4.4Å; L60-L104 HydrophobicContact CD1-CD2 3.88Å; L60-L104 HydrophobicContact CD2-CD1 4.28Å; L60-L104 HydrophobicContact CD2-CD2 3.52Å; L60-L104 HydrophobicContact CG-CD2 4.36Å
61	S	79.1	Confident	77.1	Confident	80 Å²	80	78.2 Å²	78.2	56%	0.559	43%	0.429	S	S	*	.	H	α-helix	trans	-78.4	-21.4	176.1	-55.9	0	0	0	0	113.4	E57 S58 F59	E57-S61 WeakPolarHBondContact O-CB 3.44Å; E57-S61 PolarHBondContact O-N 3.12Å; E57-S61 PolarHBondContact O-OG 3.21Å; S58-S61 PolarHBondContact O-N 3.37Å; F59-S61 PolarHBondContact O-N 3.49Å
62	C	68.5	Low	75.6	Confident	102 Å²	102	83.8 Å²	83.8	69%	0.689	45%	0.451	S	S	*	.	H	α-helix	trans	-92.9	-21.9	179	-69.1	0	0	0	0	113.3	S58 F59 E64	S58-C62 PolarHBondContact O-N 2.97Å; S58-C62 PolarHBondContact O-SG 3.3Å; S58-C62 VanDerWaalsContact O-SG 3.37Å; F59-C62 PolarHBondContact O-N 3.48Å; C62-E64 PolarHBondContact O-N 3.45Å
63	D	62.4	Low	74.1	Confident	62 Å²	62	82.2 Å²	82.2	33%	0.332	45%	0.446	S	S	.	.			trans	-79.6	29.9	-174	-99.9	18.1	0	0	0	114.6	F59 E65	F59-D63 VanDerWaalsContact CE1-CG 3.48Å; F59-D63 WeakPolarHBondContact CE1-OD2 3.41Å; F59-D63 VanDerWaalsContact CZ-CG 3.47Å; F59-D63 VanDerWaalsContact CZ-OD1 3.31Å; F59-D63 WeakPolarHBondContact CZ-OD1 3.49Å; F59-D63 WeakPolarHBondContact CZ-OD2 3.32Å; F59-D63 PolarHBondContact O-N 3.18Å; F59-D63 VanDerWaalsContact O-N 3.09Å; D63-E65 VanDerWaalsContact C-N 3.25Å; D63-E65 PolarHBondContact O-N 3.13Å
64	E	60	Low	72.7	Confident	135 Å²	135	87.7 Å²	87.7	63%	0.631	47%	0.472	S	S	*	.			trans	-72.3	79	174	-57.9	-94.1	94.8	0	0	108.7	C62 P66	C62-E64 PolarHBondContact O-N 3.45Å; E64-P66 WeakPolarHBondContact O-CD 3.33Å
65	E	58.9	Low	71.4	Confident	97 Å²	97	88 Å²	88	45%	0.453	48%	0.475	S	S	.	.			trans	-70.9	107.7	172.1	-94.3	-65.1	137.9	0	0	109.3	D63 S67 L68	D63-E65 VanDerWaalsContact C-N 3.25Å; D63-E65 PolarHBondContact O-N 3.13Å; E65-S67 PolarHBondContact O-N 3.5Å; E65-S67 PolarHBondContact OE2-OG 3.11Å; E65-L68 HydrophobicContact CB-CD1 4.48Å
66	P	58.3	Low	70.3	Confident	123 Å²	123	85.8 Å²	85.8	80%	0.799	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-3.3	-171.7	30.1	-34.4	0	0	0	113.3	E64	E64-P66 WeakPolarHBondContact O-CD 3.33Å
67	S	63.8	Low	69.7	Low	91 Å²	91	91.9 Å²	91.9	64%	0.636	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-5.9	-171.1	64.4	0	0	0	0	114.7	E65	E65-S67 PolarHBondContact O-N 3.5Å; E65-S67 PolarHBondContact OE2-OG 3.11Å
68	L	62.4	Low	69.4	Low	58 Å²	58	90.5 Å²	90.5	30%	0.304	48%	0.483	S	S	.	.	S	Bend	trans	-89.5	147.9	-178.4	-71.2	171.9	0	0	0	112.3	E65 E70	E65-L68 HydrophobicContact CB-CD1 4.48Å; L68-E70 PolarHBondContact O-N 3.3Å
69	P	67.5	Low	69.3	Low	79 Å²	79	93.6 Å²	93.6	51%	0.513	49%	0.491	S	S	.	.			trans	-54.2	139.5	171	-21.2	30.8	0	0	0	111.1	E71 K72 L73	P69-E71 PolarHBondContact O-N 2.88Å; P69-K72 PolarHBondContact O-N 3.01Å; P69-L73 PolarHBondContact O-N 2.92Å; P69-L73 VanDerWaalsContact O-N 3.13Å
70	E	66	Low	69.6	Low	164 Å²	164	100.4 Å²	100.4	77%	0.766	52%	0.523	S	S	*	.	H	α-helix	trans	-49.5	-37.9	-177.6	-65.3	-179.2	170.7	0	0	112.8	L68 K72 L73 E74	L68-E70 PolarHBondContact O-N 3.3Å; E70-K72 VanDerWaalsContact C-N 3.32Å; E70-K72 PolarHBondContact O-N 2.95Å; E70-L73 WeakPolarHBondContact O-CB 3.23Å; E70-L73 PolarHBondContact O-N 2.96Å; E70-L73 VanDerWaalsContact O-N 3.09Å; E70-E74 PolarHBondContact O-N 2.77Å
71	E	65.1	Low	70.2	Confident	174 Å²	174	101.6 Å²	101.6	81%	0.813	53%	0.532	S	S	*	.	H	α-helix	trans	-59.7	-38.1	177	-65.6	-176.3	167.9	0	0	113.5	P69	P69-E71 PolarHBondContact O-N 2.88Å
72	K	65.5	Low	71	Confident	130 Å²	130	102.5 Å²	102.5	57%	0.565	53%	0.534	S	S	*	.	H	α-helix	trans	-78.1	-30.4	175.3	-77.2	-173.2	176.6	-178.3	0	111.7	P69 E70 S75 R76	P69-K72 PolarHBondContact O-N 3.01Å; E70-K72 VanDerWaalsContact C-N 3.32Å; E70-K72 PolarHBondContact O-N 2.95Å; K72-S75 PolarHBondContact O-N 3.15Å; K72-S75 PolarHBondContact O-OG 2.8Å; K72-R76 PolarHBondContact O-N 3.21Å
73	L	64.4	Low	72.3	Confident	55 Å²	55	101.7 Å²	101.7	29%	0.288	53%	0.526	S	S	.	.	H	α-helix	trans	-65.6	-45.5	176.6	-172.2	65	0	0	0	110.9	P69 E70 S75 R76 K77	P69-L73 PolarHBondContact O-N 2.92Å; P69-L73 VanDerWaalsContact O-N 3.13Å; E70-L73 WeakPolarHBondContact O-CB 3.23Å; E70-L73 PolarHBondContact O-N 2.96Å; E70-L73 VanDerWaalsContact O-N 3.09Å; L73-S75 VanDerWaalsContact C-N 3.28Å; L73-S75 PolarHBondContact O-N 2.53Å; L73-R76 WeakPolarHBondContact O-CB 3.29Å; L73-R76 PolarHBondContact O-N 3.39Å; L73-K77 PolarHBondContact O-N 3.23Å
74	E	66.5	Low	73.8	Confident	125 Å²	125	101.5 Å²	101.5	58%	0.584	53%	0.525	S	S	*	.	H	α-helix	trans	-59.4	-38	176.6	-72.8	-61.4	138.8	0	0	112.2	E70 R76 K77	E70-E74 PolarHBondContact O-N 2.77Å; E74-R76 PolarHBondContact O-N 3.11Å; E74-K77 WeakPolarHBondContact O-CB 3.2Å; E74-K77 PolarHBondContact O-N 3.45Å; E74-K77 VanDerWaalsContact O-N 3.12Å
75	S	66.7	Low	75.3	Confident	58 Å²	58	100 Å²	100	41%	0.406	52%	0.521	S	S	.	.	H	α-helix	trans	-63.5	-23	176	77.1	0	0	0	0	113.7	K72 L73 Q105	K72-S75 PolarHBondContact O-N 3.15Å; K72-S75 PolarHBondContact O-OG 2.8Å; L73-S75 VanDerWaalsContact C-N 3.28Å; L73-S75 PolarHBondContact O-N 2.53Å; S75-Q105 WeakPolarHBondContact O-CG 3.24Å
76	R	68.2	Low	76.5	Confident	55 Å²	55	98.1 Å²	98.1	21%	0.208	51%	0.51	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-6.8	177.6	-80.1	-170.4	167.3	-179.7	2.6	113.8	S41 K72 L73 E74 L78 L104	S41-R76 PolarHBondContact OG-NH2 3.03Å; K72-R76 PolarHBondContact O-N 3.21Å; L73-R76 WeakPolarHBondContact O-CB 3.29Å; L73-R76 PolarHBondContact O-N 3.39Å; E74-R76 PolarHBondContact O-N 3.11Å; R76-L78 PolarHBondContact O-N 3.24Å; R76-L104 WeakPolarHBondContact O-CD1 3.3Å
77	K	77.4	Confident	77.4	Confident	130 Å²	130	96.4 Å²	96.4	57%	0.565	50%	0.5	S	S	*	.	S	Bend	trans	-74.6	130.7	-179.5	-167.1	171.7	-176.4	171.9	0	110.5	L73 E74 Q79	L73-K77 PolarHBondContact O-N 3.23Å; E74-K77 WeakPolarHBondContact O-CB 3.2Å; E74-K77 PolarHBondContact O-N 3.45Å; E74-K77 VanDerWaalsContact O-N 3.12Å; K77-Q79 PolarHBondContact O-N 2.91Å
78	L	84.3	Confident	77.7	Confident	48 Å²	48	93.2 Å²	93.2	25%	0.251	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-60.8	122.5	171.1	-174.6	66.2	0	0	0	109.6	W53 E57 L60 R76 F102	W53-L78 HydrophobicContact CH2-CD1 3.78Å; W53-L78 HydrophobicContact CH2-CD2 4.43Å; W53-L78 HydrophobicContact CZ2-CD1 4.02Å; W53-L78 HydrophobicContact CZ2-CD2 3.9Å; E57-L78 HydrophobicContact CG-CD2 4.39Å; L60-L78 HydrophobicContact CD1-CD1 4.4Å; R76-L78 PolarHBondContact O-N 3.24Å; L78-F102 HydrophobicContact CD1-CB 3.92Å; L78-F102 HydrophobicContact CD1-CD1 4.01Å; L78-F102 HydrophobicContact CD1-CG 4.39Å; L78-F102 HydrophobicContact CD2-CD1 4.03Å; L78-F102 HydrophobicContact CD2-CE1 4.41Å; L78-F102 HydrophobicContact CG-CD1 4.17Å
79	Q	85.3	Confident	78	Confident	130 Å²	130	95.9 Å²	95.9	61%	0.607	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-75.3	156	177.7	-64	-178.4	1	0	0	111.2	K77 G103	K77-Q79 PolarHBondContact O-N 2.91Å; Q79-G103 PolarHBondContact N-O 2.96Å
80	Q	89.7	Confident	78.3	Confident	181 Å²	181	98 Å²	98	85%	0.846	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-56.9	132.8	170.9	-73.4	-171.2	-3.9	0	0	109.8
81	P	94.4	Very high	78.1	Confident	56 Å²	56	97.5 Å²	97.5	36%	0.364	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-68.9	145.4	-175.6	25.7	-33.2	0	0	0	111.7	F100 C101 F102	P81-F100 HydrophobicContact CB-CB 4.18Å; P81-F100 HydrophobicContact CB-CD1 4.21Å; P81-F100 HydrophobicContact CG-CD1 4.38Å; P81-C101 CarbonylContact C-O 3.58Å; P81-C101 VanDerWaalsContact CA-O 3.24Å; P81-C101 WeakPolarHBondContact CA-O 3.49Å; P81-F102 HydrophobicContact CB-CD1 3.75Å; P81-F102 HydrophobicContact CB-CD2 4.33Å; P81-F102 HydrophobicContact CB-CE1 3.58Å; P81-F102 HydrophobicContact CB-CE2 4.17Å; P81-F102 HydrophobicContact CB-CG 4.14Å; P81-F102 HydrophobicContact CB-CZ 3.81Å; P81-F102 HydrophobicContact CG-CD1 4.21Å; P81-F102 HydrophobicContact CG-CE1 3.64Å; P81-F102 HydrophobicContact CG-CZ 3.97Å
82	V	95.9	Very high	78.3	Confident	99 Å²	99	94.2 Å²	94.2	60%	0.6	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	134.3	168.4	179.5	0	0	0	0	108.7	L84 C101	V82-L84 PolarHBondContact O-N 3.25Å; V82-C101 HydrophobicContact CB-CB 4.48Å; V82-C101 PolarHBondContact N-O 3.41Å; V82-C101 PolarHBondContact O-N 3.42Å
83	V	95.8	Very high	79	Confident	85 Å²	85	92.5 Å²	92.5	52%	0.515	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	122	173.2	-179.7	0	0	0	0	109.1	F100	V83-F100 HydrophobicContact CG2-CD1 4.03Å; V83-F100 HydrophobicContact CG2-CE1 3.72Å
84	L	94.4	Very high	80.1	Confident	59 Å²	59	90.9 Å²	90.9	31%	0.309	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	107.4	173	178.5	62.3	0	0	0	109.3	V82 R86 S98 T99 E110	V82-L84 PolarHBondContact O-N 3.25Å; L84-R86 HydrophobicContact CD1-CG 4.49Å; L84-R86 HydrophobicContact CG-CG 4.26Å; L84-S98 CarbonylContact O-C 3.52Å; L84-S98 VanDerWaalsContact O-CA 3.29Å; L84-S98 WeakPolarHBondContact O-CA 3.22Å; L84-S98 VanDerWaalsContact O-CB 3.3Å; L84-S98 WeakPolarHBondContact O-CB 3.29Å; L84-T99 PolarHBondContact N-O 3.25Å; L84-T99 PolarHBondContact O-N 3.06Å; L84-E110 HydrophobicContact CD2-CG 4.41Å; L84-E110 WeakPolarHBondContact CD2-OE1 3.5Å
85	N	90.4	Very high	81.1	Confident	103 Å²	103	90 Å²	90	55%	0.551	50%	0.5	S	S	*	.			trans	-107	117.9	172	-170	14.6	0	0	0	109.9
86	R	84.9	Confident	82.3	Confident	57 Å²	57	92.4 Å²	92.4	22%	0.215	50%	0.503	C	S	.	.			trans	-98.2	125.5	177.4	-57.9	-177.3	-171.6	-154	7.4	108.8	Y25 D26 L84 N94 E110	Y25-R86 HydrophobicContact CD1-CB 4.1Å; Y25-R86 HydrophobicContact CD2-CB 4.11Å; Y25-R86 HydrophobicContact CE1-CB 4.4Å; Y25-R86 HydrophobicContact CE2-CB 4.38Å; Y25-R86 HydrophobicContact CG-CB 3.96Å; D26-R86 IonicContact OD1-NH1 3.61Å; D26-R86 PolarHBondContact OD1-NH1 3.33Å; D26-R86 VanDerWaalsContact OD1-NH1 3.11Å; D26-R86 IonicContact OD2-CZ 2.74Å; D26-R86 IonicContact OD2-NH1 3.68Å; D26-R86 PolarHBondContact OD2-NH1 2.92Å; D26-R86 IonicContact OD2-NH2 2.84Å; L84-R86 HydrophobicContact CD1-CG 4.49Å; L84-R86 HydrophobicContact CG-CG 4.26Å; R86-N94 WeakPolarHBondContact O-CB 3.27Å; R86-E110 IonicContact CZ-OE1 3.73Å; R86-E110 IonicContact NE-OE1 3.59Å; R86-E110 VanDerWaalsContact NH2-CD 3.31Å; R86-E110 IonicContact NH2-OE1 2.95Å; R86-E110 PolarHBondContact NH2-OE1 2.88Å; R86-E110 IonicContact NH2-OE2 2.9Å; R86-E110 PolarHBondContact NH2-OE2 3.26Å
87	C	77.1	Confident	83.4	Confident	87 Å²	87	91.5 Å²	91.5	59%	0.588	51%	0.511	S	S	*	.			trans	-126.9	137.7	169.6	-64.9	0	0	0	0	108
88	S	68.8	Low	84.2	Confident	24 Å²	24	87.5 Å²	87.5	17%	0.168	50%	0.499	C	S	.	.			trans	-73.7	155.6	173.8	81.2	0	0	0	0	110.5	Y25 N90 N91 D92	Y25-S88 WeakPolarHBondContact OH-CB 2.89Å; S88-N90 PolarHBondContact O-N 2.85Å; S88-N90 PolarHBondContact OG-N 3.44Å; S88-N91 PolarHBondContact O-N 2.93Å; S88-D92 VanDerWaalsContact OG-CB 3.23Å; S88-D92 WeakPolarHBondContact OG-CB 3.11Å; S88-D92 PolarHBondContact OG-N 2.77Å; S88-D92 PolarHBondContact OG-OD2 2.85Å
89	S	69.7	Low	84.8	Confident	114 Å²	114	85.8 Å²	85.8	80%	0.797	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.8	171.9	55.4	0	0	0	0	113	N91	S89-N91 VanDerWaalsContact C-N 3.27Å; S89-N91 PolarHBondContact O-N 3.04Å
90	N	72.8	Confident	85.4	Confident	124 Å²	124	83.7 Å²	83.7	66%	0.663	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	15.6	-175.3	-64.8	-5.9	0	0	0	112.8	S88 D92	S88-N90 PolarHBondContact O-N 2.85Å; S88-N90 PolarHBondContact OG-N 3.44Å; N90-D92 PolarHBondContact O-N 2.8Å
91	N	63.1	Low	85.7	Confident	154 Å²	154	76.3 Å²	76.3	82%	0.824	45%	0.448	S	S	*	.			trans	59.3	19.9	-172.6	-66.3	-29.2	0	0	0	114.2	S88 S89 S93	S88-N91 PolarHBondContact O-N 2.93Å; S89-N91 VanDerWaalsContact C-N 3.27Å; S89-N91 PolarHBondContact O-N 3.04Å; N91-S93 PolarHBondContact O-N 2.76Å
92	D	69	Low	85.8	Confident	104 Å²	104	74.5 Å²	74.5	56%	0.556	43%	0.434	S	S	*	.			trans	-71.4	106.3	167.5	-56.7	-52.8	0	0	0	107.1	S88 N90 N94	S88-D92 VanDerWaalsContact OG-CB 3.23Å; S88-D92 WeakPolarHBondContact OG-CB 3.11Å; S88-D92 PolarHBondContact OG-N 2.77Å; S88-D92 PolarHBondContact OG-OD2 2.85Å; N90-D92 PolarHBondContact O-N 2.8Å; D92-N94 PolarHBondContact O-N 2.9Å
93	S	79.6	Confident	85.6	Confident	94 Å²	94	70.5 Å²	70.5	66%	0.657	41%	0.413	S	S	*	.			trans	-61.8	126	171	57.1	0	0	0	0	108.3	N91 P95	N91-S93 PolarHBondContact O-N 2.76Å; S93-P95 WeakPolarHBondContact O-CD 3.31Å
94	N	87.6	Confident	85.3	Confident	21 Å²	21	67 Å²	67	11%	0.112	39%	0.392	C	S	.	.			trans	-60.8	109.9	170.7	169.4	12.4	0	0	0	109.5	Y25 R86 D92 F96 G97	Y25-N94 HydrophobicContact CD2-CB 3.79Å; Y25-N94 HydrophobicContact CE2-CB 4.23Å; R86-N94 WeakPolarHBondContact O-CB 3.27Å; D92-N94 PolarHBondContact O-N 2.9Å; N94-F96 PolarHBondContact O-N 3.12Å; N94-F96 WeakPolarHBondContact OD1-CB 3.43Å; N94-F96 PolarHBondContact OD1-N 3.39Å; N94-G97 PolarHBondContact ND2-O 3.44Å; N94-G97 PolarHBondContact O-N 2.86Å
95	P	88.9	Confident	84.9	Confident	106 Å²	106	69.3 Å²	69.3	69%	0.688	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-12	-173.4	32.5	-35.9	0	0	0	112.5	S93	S93-P95 WeakPolarHBondContact O-CD 3.31Å
96	F	91.3	Very high	84.9	Confident	109 Å²	109	68.2 Å²	68.2	48%	0.478	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-7.7	-177.4	-51.1	-60.4	0	0	0	113.5	G23 H24 N94	G23-F96 WeakPolarHBondContact O-CB 3.46Å; G23-F96 VanDerWaalsContact O-CG 3.24Å; G23-F96 WeakPolarHBondContact O-CG 3.46Å; H24-F96 WeakPolarHBondContact O-CE2 3.23Å; N94-F96 PolarHBondContact O-N 3.12Å; N94-F96 WeakPolarHBondContact OD1-CB 3.43Å; N94-F96 PolarHBondContact OD1-N 3.39Å
97	G	91.6	Very high	85.3	Confident	36 Å²	36	66.9 Å²	66.9	37%	0.371	39%	0.393	S	S	.	.			trans	75.2	-174.8	-175.3	0	0	0	0	0	113.3	N94	N94-G97 PolarHBondContact ND2-O 3.44Å; N94-G97 PolarHBondContact O-N 2.86Å
98	S	94.2	Very high	86.2	Confident	46 Å²	46	65.4 Å²	65.4	32%	0.322	38%	0.378	S	S	.	.			trans	-75.5	156.7	-178.1	54	0	0	0	0	113	L84	L84-S98 CarbonylContact O-C 3.52Å; L84-S98 VanDerWaalsContact O-CA 3.29Å; L84-S98 WeakPolarHBondContact O-CA 3.22Å; L84-S98 VanDerWaalsContact O-CB 3.3Å; L84-S98 WeakPolarHBondContact O-CB 3.29Å
99	T	96.4	Very high	87.5	Confident	12 Å²	12	64.3 Å²	64.3	7%	0.074	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	166.1	167.3	53.5	0	0	0	0	110.4	L84 E110 V111 M112	L84-T99 PolarHBondContact N-O 3.25Å; L84-T99 PolarHBondContact O-N 3.06Å; T99-E110 HydrophobicContact CG2-CG 4.18Å; T99-E110 WeakPolarHBondContact OG1-CG 3.23Å; T99-E110 PolarHBondContact OG1-OE1 3Å; T99-V111 WeakPolarHBondContact CA-O 3.02Å; T99-V111 VanDerWaalsContact CB-O 3.26Å; T99-V111 WeakPolarHBondContact CB-O 3.3Å; T99-M112 HydrophobicContact CG2-CG 4.22Å
100	F	97.4	Very high	88.8	Confident	86 Å²	86	59.3 Å²	59.3	38%	0.377	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.2	172.3	-67.8	-79.2	0	0	0	110	P81 V83 F102 V111	P81-F100 HydrophobicContact CB-CB 4.18Å; P81-F100 HydrophobicContact CB-CD1 4.21Å; P81-F100 HydrophobicContact CG-CD1 4.38Å; V83-F100 HydrophobicContact CG2-CD1 4.03Å; V83-F100 HydrophobicContact CG2-CE1 3.72Å; F100-F102 HydrophobicContact CB-CD2 4.24Å; F100-F102 HydrophobicContact CB-CE2 3.58Å; F100-F102 HydrophobicContact CB-CZ 4.17Å; F100-V111 PolarHBondContact N-O 2.92Å; F100-V111 PolarHBondContact O-N 3.35Å
101	C	97.3	Very high	90	Very high	26 Å²	26	53.8 Å²	53.8	18%	0.176	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	116.1	176.2	-68.5	0	0	0	0	109.9	P81 V82 I108 F109	P81-C101 CarbonylContact C-O 3.58Å; P81-C101 VanDerWaalsContact CA-O 3.24Å; P81-C101 WeakPolarHBondContact CA-O 3.49Å; V82-C101 HydrophobicContact CB-CB 4.48Å; V82-C101 PolarHBondContact N-O 3.41Å; V82-C101 PolarHBondContact O-N 3.42Å; C101-I108 HydrophobicContact CB-CG2 4.2Å; C101-F109 CarbonylContact C-O 3.53Å; C101-F109 VanDerWaalsContact CA-O 3.28Å; C101-F109 WeakPolarHBondContact CA-O 3.38Å
102	F	95.6	Very high	91.6	Very high	19 Å²	19	46.9 Å²	46.9	8%	0.083	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	131	177.8	-65.9	-93.7	0	0	0	110.5	W53 L78 P81 F100 I108 F109 V111	W53-F102 HydrophobicContact CD2-CD2 4.3Å; W53-F102 HydrophobicContact CD2-CE2 4.36Å; W53-F102 AromaticContact CE2-CD2 3.75Å; W53-F102 AromaticContact CE2-CE2 3.72Å; W53-F102 AromaticContact CE2-CG 3.95Å; W53-F102 AromaticContact CE2-CZ 3.88Å; W53-F102 HydrophobicContact CH2-CB 3.45Å; W53-F102 VanDerWaalsContact CH2-CB 3.45Å; W53-F102 HydrophobicContact CH2-CD1 4.01Å; W53-F102 AromaticContact CH2-CD2 3.97Å; W53-F102 HydrophobicContact CH2-CD2 3.97Å; W53-F102 AromaticContact CH2-CG 3.56Å; W53-F102 HydrophobicContact CH2-CG 3.56Å; W53-F102 HydrophobicContact CZ2-CB 3.74Å; W53-F102 AromaticContact CZ2-CD1 3.37Å; W53-F102 HydrophobicContact CZ2-CD1 3.37Å; W53-F102 AromaticContact CZ2-CD2 3.58Å; W53-F102 HydrophobicContact CZ2-CD2 3.58Å; W53-F102 AromaticContact CZ2-CE1 3.73Å; W53-F102 HydrophobicContact CZ2-CE1 3.73Å; W53-F102 AromaticContact CZ2-CE2 3.93Å; W53-F102 HydrophobicContact CZ2-CE2 3.93Å; W53-F102 AromaticContact CZ2-CG 3.28Å; W53-F102 HydrophobicContact CZ2-CG 3.28Å; W53-F102 AromaticContact CZ2-CZ 3.99Å; W53-F102 HydrophobicContact CZ2-CZ 3.99Å; W53-F102 HydrophobicContact CZ3-CB 4.21Å; W53-F102 HydrophobicContact CZ3-CD2 4.47Å; W53-F102 HydrophobicContact CZ3-CG 4.41Å; W53-F102 AromaticContact NE1-CE2 3.74Å; W53-F102 AromaticContact NE1-CZ 3.61Å; L78-F102 HydrophobicContact CD1-CB 3.92Å; L78-F102 HydrophobicContact CD1-CD1 4.01Å; L78-F102 HydrophobicContact CD1-CG 4.39Å; L78-F102 HydrophobicContact CD2-CD1 4.03Å; L78-F102 HydrophobicContact CD2-CE1 4.41Å; L78-F102 HydrophobicContact CG-CD1 4.17Å; P81-F102 HydrophobicContact CB-CD1 3.75Å; P81-F102 HydrophobicContact CB-CD2 4.33Å; P81-F102 HydrophobicContact CB-CE1 3.58Å; P81-F102 HydrophobicContact CB-CE2 4.17Å; P81-F102 HydrophobicContact CB-CG 4.14Å; P81-F102 HydrophobicContact CB-CZ 3.81Å; P81-F102 HydrophobicContact CG-CD1 4.21Å; P81-F102 HydrophobicContact CG-CE1 3.64Å; P81-F102 HydrophobicContact CG-CZ 3.97Å; F100-F102 HydrophobicContact CB-CD2 4.24Å; F100-F102 HydrophobicContact CB-CE2 3.58Å; F100-F102 HydrophobicContact CB-CZ 4.17Å; F102-I108 CarbonylContact O-C 3.59Å; F102-I108 VanDerWaalsContact O-CA 3.3Å; F102-I108 WeakPolarHBondContact O-CA 3.26Å; F102-F109 HydrophobicContact CB-CB 4.42Å; F102-F109 PolarHBondContact N-O 3.43Å; F102-F109 PolarHBondContact O-N 3.42Å; F102-V111 HydrophobicContact CD2-CB 4.17Å; F102-V111 HydrophobicContact CD2-CG2 3.63Å; F102-V111 HydrophobicContact CE2-CB 3.97Å; F102-V111 HydrophobicContact CE2-CG2 3.84Å
103	G	92.9	Very high	92.9	Very high	14 Å²	14	46.5 Å²	46.5	14%	0.144	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.8	175	0	0	0	0	0	111.7	Q79	Q79-G103 PolarHBondContact N-O 2.96Å
104	L	89	Confident	93.6	Very high	13 Å²	13	45.8 Å²	45.8	7%	0.068	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	112.5	171.2	178.5	71.3	0	0	0	109	L39 L60 R76 D106 V107 F109	L39-L104 HydrophobicContact CD2-CD2 4.06Å; L60-L104 HydrophobicContact CD1-CD2 3.88Å; L60-L104 HydrophobicContact CD2-CD1 4.28Å; L60-L104 HydrophobicContact CD2-CD2 3.52Å; L60-L104 HydrophobicContact CG-CD2 4.36Å; R76-L104 WeakPolarHBondContact O-CD1 3.3Å; L104-D106 PolarHBondContact O-N 3.21Å; L104-V107 PolarHBondContact N-O 3.19Å; L104-V107 WeakPolarHBondContact O-CA 3.46Å; L104-V107 WeakPolarHBondContact O-CB 3.29Å; L104-V107 PolarHBondContact O-N 3.48Å; L104-F109 HydrophobicContact CB-CE2 4.05Å; L104-F109 HydrophobicContact CD2-CE2 4.27Å
105	Q	86.6	Confident	94.1	Very high	106 Å²	106	46.9 Å²	46.9	50%	0.495	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	-124.9	-175.2	-59.9	179.8	-22.8	0	0	111	S75 V107	S75-Q105 WeakPolarHBondContact O-CG 3.24Å; Q105-V107 VanDerWaalsContact C-N 3.29Å; Q105-V107 PolarHBondContact O-N 2.84Å
106	D	90.3	Very high	94.5	Very high	81 Å²	81	44 Å²	44	43%	0.433	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	21.1	176.9	-59.4	-61.2	0	0	0	113	L104 L123 S125	L104-D106 PolarHBondContact O-N 3.21Å; D106-L123 HydrophobicContact CB-CB 4.34Å; D106-L123 WeakPolarHBondContact CB-O 3.34Å; D106-L123 WeakPolarHBondContact O-CB 3.43Å; D106-L123 PolarHBondContact O-N 3.05Å; D106-S125 PolarHBondContact OD1-OG 3.37Å
107	V	93	Very high	94.7	Very high	29 Å²	29	39 Å²	39	18%	0.176	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.5	-179.2	-171.3	0	0	0	0	111	L104 Q105 F109 V120 M121 L122	L104-V107 PolarHBondContact N-O 3.19Å; L104-V107 WeakPolarHBondContact O-CA 3.46Å; L104-V107 WeakPolarHBondContact O-CB 3.29Å; L104-V107 PolarHBondContact O-N 3.48Å; Q105-V107 VanDerWaalsContact C-N 3.29Å; Q105-V107 PolarHBondContact O-N 2.84Å; V107-F109 HydrophobicContact CB-CE2 4.21Å; V107-F109 HydrophobicContact CB-CZ 4.14Å; V107-F109 HydrophobicContact CG1-CD1 4.33Å; V107-F109 HydrophobicContact CG1-CD2 4.34Å; V107-F109 HydrophobicContact CG1-CE1 3.67Å; V107-F109 HydrophobicContact CG1-CE2 3.74Å; V107-F109 HydrophobicContact CG1-CZ 3.35Å; V107-V120 HydrophobicContact CG1-CG1 3.79Å; V107-M121 CarbonylContact C-O 3.59Å; V107-M121 WeakPolarHBondContact CA-O 3.48Å; V107-L122 HydrophobicContact CB-CD2 4.4Å; V107-L122 HydrophobicContact CG1-CD2 3.95Å; V107-L122 HydrophobicContact CG2-CD2 3.71Å
108	I	95.5	Very high	95	Very high	55 Å²	55	37.5 Å²	37.5	28%	0.282	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.3	170.7	-59	168.4	0	0	0	109.3	C101 F102 M121 L123	C101-I108 HydrophobicContact CB-CG2 4.2Å; F102-I108 CarbonylContact O-C 3.59Å; F102-I108 VanDerWaalsContact O-CA 3.3Å; F102-I108 WeakPolarHBondContact O-CA 3.26Å; I108-M121 HydrophobicContact CB-CB 4.17Å; I108-M121 HydrophobicContact CD1-SD 4.12Å; I108-M121 PolarHBondContact N-O 2.86Å; I108-M121 PolarHBondContact O-N 3.49Å; I108-L123 HydrophobicContact CD1-CD1 3.97Å; I108-L123 HydrophobicContact CG1-CD1 4.46Å
109	F	96.5	Very high	95.1	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.6	175.3	-56.5	-78.2	0	0	0	109.9	L39 L47 W53 C101 F102 L104 V107 V111 V120	L39-F109 HydrophobicContact CD2-CZ 4.09Å; L47-F109 HydrophobicContact CD2-CD1 4.42Å; L47-F109 HydrophobicContact CD2-CE1 3.56Å; L47-F109 HydrophobicContact CD2-CZ 4.38Å; W53-F109 HydrophobicContact CE3-CB 4.15Å; W53-F109 HydrophobicContact CE3-CG 4.38Å; W53-F109 HydrophobicContact CH2-CB 4.42Å; W53-F109 HydrophobicContact CH2-CD2 4.1Å; W53-F109 HydrophobicContact CH2-CG 4.47Å; W53-F109 HydrophobicContact CZ3-CB 3.64Å; W53-F109 HydrophobicContact CZ3-CD1 4.41Å; W53-F109 AromaticContact CZ3-CD2 3.62Å; W53-F109 HydrophobicContact CZ3-CD2 3.62Å; W53-F109 HydrophobicContact CZ3-CE2 4.39Å; W53-F109 AromaticContact CZ3-CG 3.62Å; W53-F109 HydrophobicContact CZ3-CG 3.62Å; C101-F109 CarbonylContact C-O 3.53Å; C101-F109 VanDerWaalsContact CA-O 3.28Å; C101-F109 WeakPolarHBondContact CA-O 3.38Å; F102-F109 HydrophobicContact CB-CB 4.42Å; F102-F109 PolarHBondContact N-O 3.43Å; F102-F109 PolarHBondContact O-N 3.42Å; L104-F109 HydrophobicContact CB-CE2 4.05Å; L104-F109 HydrophobicContact CD2-CE2 4.27Å; V107-F109 HydrophobicContact CB-CE2 4.21Å; V107-F109 HydrophobicContact CB-CZ 4.14Å; V107-F109 HydrophobicContact CG1-CD1 4.33Å; V107-F109 HydrophobicContact CG1-CD2 4.34Å; V107-F109 HydrophobicContact CG1-CE1 3.67Å; V107-F109 HydrophobicContact CG1-CE2 3.74Å; V107-F109 HydrophobicContact CG1-CZ 3.35Å; F109-V111 HydrophobicContact CB-CG2 4.23Å; F109-V120 HydrophobicContact CD1-CG1 4.24Å; F109-V120 HydrophobicContact CD1-CG2 4.05Å; F109-V120 HydrophobicContact CE1-CG1 3.98Å; F109-V120 HydrophobicContact CE1-CG2 4.28Å
110	E	97.4	Very high	95.2	Very high	10 Å²	10	35.1 Å²	35.1	5%	0.047	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	113.7	167.7	-175.4	-176.5	-173.6	0	0	109	H24 L84 R86 T99 I117 A118 T119	H24-E110 IonicContact CD2-OE1 3.77Å; H24-E110 IonicContact CE1-OE1 3.83Å; H24-E110 IonicContact NE2-OE1 3.11Å; H24-E110 PolarHBondContact NE2-OE1 2.87Å; H24-E110 IonicContact NE2-OE2 2.62Å; L84-E110 HydrophobicContact CD2-CG 4.41Å; L84-E110 WeakPolarHBondContact CD2-OE1 3.5Å; R86-E110 IonicContact CZ-OE1 3.73Å; R86-E110 IonicContact NE-OE1 3.59Å; R86-E110 VanDerWaalsContact NH2-CD 3.31Å; R86-E110 IonicContact NH2-OE1 2.95Å; R86-E110 PolarHBondContact NH2-OE1 2.88Å; R86-E110 IonicContact NH2-OE2 2.9Å; R86-E110 PolarHBondContact NH2-OE2 3.26Å; T99-E110 HydrophobicContact CG2-CG 4.18Å; T99-E110 WeakPolarHBondContact OG1-CG 3.23Å; T99-E110 PolarHBondContact OG1-OE1 3Å; E110-I117 CarbonylContact O-C 3.59Å; E110-I117 WeakPolarHBondContact O-CA 3.4Å; E110-A118 HydrophobicContact CB-CB 4.48Å; E110-A118 HydrophobicContact CG-CB 4.18Å; E110-A118 PolarHBondContact O-N 3.1Å; E110-T119 PolarHBondContact N-O 2.64Å; E110-T119 WeakPolarHBondContact OE2-CB 3.37Å; E110-T119 PolarHBondContact OE2-OG1 3.21Å
111	V	97.7	Very high	95.2	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.042	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.2	-172.9	-178.4	0	0	0	0	109.9	W53 T99 F100 F102 F109	W53-V111 HydrophobicContact CB-CB 4.39Å; W53-V111 HydrophobicContact CB-CG1 3.49Å; W53-V111 VanDerWaalsContact CB-CG1 3.49Å; W53-V111 HydrophobicContact CB-CG2 3.94Å; W53-V111 HydrophobicContact CD2-CG1 4.38Å; W53-V111 HydrophobicContact CD2-CG2 3.48Å; W53-V111 VanDerWaalsContact CD2-CG2 3.48Å; W53-V111 HydrophobicContact CE3-CG2 3.52Å; W53-V111 HydrophobicContact CG-CB 4.28Å; W53-V111 HydrophobicContact CG-CG1 3.65Å; W53-V111 HydrophobicContact CG-CG2 3.66Å; W53-V111 HydrophobicContact CZ3-CG2 4.27Å; T99-V111 WeakPolarHBondContact CA-O 3.02Å; T99-V111 VanDerWaalsContact CB-O 3.26Å; T99-V111 WeakPolarHBondContact CB-O 3.3Å; F100-V111 PolarHBondContact N-O 2.92Å; F100-V111 PolarHBondContact O-N 3.35Å; F102-V111 HydrophobicContact CD2-CB 4.17Å; F102-V111 HydrophobicContact CD2-CG2 3.63Å; F102-V111 HydrophobicContact CE2-CB 3.97Å; F102-V111 HydrophobicContact CE2-CG2 3.84Å; F109-V111 HydrophobicContact CB-CG2 4.23Å
112	M	97	Very high	95.1	Very high	9 Å²	9	33.5 Å²	33.5	4%	0.044	19%	0.19	C	C	.	.			trans	-88.2	160.2	178.2	-59.4	170.7	60.7	0	0	111.1	F21 P22 G23 H24 T99 N114 D115 H116 A118	F21-M112 HydrophobicContact CB-SD 3.98Å; P22-M112 WeakPolarHBondContact O-CE 3.24Å; G23-M112 VanDerWaalsContact O-CE 3.23Å; G23-M112 WeakPolarHBondContact O-CE 3.49Å; H24-M112 HydrophobicContact CB-CE 3.84Å; H24-M112 HydrophobicContact CB-SD 3.89Å; T99-M112 HydrophobicContact CG2-CG 4.22Å; M112-N114 WeakPolarHBondContact CB-OD1 3.1Å; M112-N114 PolarHBondContact O-N 3.05Å; M112-D115 PolarHBondContact O-N 3.34Å; M112-D115 VanDerWaalsContact O-N 3.1Å; M112-H116 WeakPolarHBondContact CB-O 3.43Å; M112-H116 WeakPolarHBondContact CG-O 3.49Å; M112-H116 PolarHBondContact N-O 3.24Å; M112-H116 HydrophobicContact SD-CB 4.29Å; M112-A118 HydrophobicContact CG-CB 3.85Å; M112-A118 HydrophobicContact SD-CB 3.95Å
113	A	95.1	Very high	95.1	Very high	97 Å²	97	35.7 Å²	35.7	80%	0.802	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.5	177.8	0	0	0	0	0	114.3	D115	A113-D115 VanDerWaalsContact C-N 3.35Å
114	N	95	Very high	94.9	Very high	79 Å²	79	39.5 Å²	39.5	42%	0.422	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	20.8	177.4	66.6	-3.8	0	0	0	113.5	M112 H116	M112-N114 WeakPolarHBondContact CB-OD1 3.1Å; M112-N114 PolarHBondContact O-N 3.05Å; N114-H116 PolarHBondContact O-CD2 3.42Å; N114-H116 PolarHBondContact O-N 3.07Å; N114-H116 VanDerWaalsContact O-N 3.12Å; N114-H116 WeakPolarHBondContact OD1-CB 3.49Å; N114-H116 PolarHBondContact OD1-N 3.01Å
115	D	96.8	Very high	94.1	Very high	44 Å²	44	46 Å²	46	24%	0.235	27%	0.266	C	S	.	.	S	Bend	trans	68.6	2.5	177.1	-163.7	35	0	0	0	115	K52 W53 S54 M112 A113	K52-D115 WeakPolarHBondContact CA-O 3.34Å; K52-D115 WeakPolarHBondContact CB-OD2 3.15Å; W53-D115 WeakPolarHBondContact CB-OD1 3.28Å; W53-D115 PolarHBondContact N-O 3.44Å; W53-D115 PolarHBondContact N-OD1 3.34Å; S54-D115 WeakPolarHBondContact CB-OD2 3.26Å; S54-D115 PolarHBondContact N-OD1 3.09Å; S54-D115 PolarHBondContact OG-OD2 3.03Å; M112-D115 PolarHBondContact O-N 3.34Å; M112-D115 VanDerWaalsContact O-N 3.1Å; A113-D115 VanDerWaalsContact C-N 3.35Å
116	H	97.3	Very high	94.5	Very high	45 Å²	45	43 Å²	43	21%	0.208	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-85.4	144.1	172.8	-72.5	-73.9	0	0	0	111.5	F21 M112 N114	F21-H116 HydrophobicContact CB-CB 4.32Å; F21-H116 HydrophobicContact CD1-CB 4.36Å; F21-H116 AromaticContact CD1-CG 3.9Å; F21-H116 AromaticContact CD1-ND1 3.76Å; F21-H116 HydrophobicContact CD2-CB 3.74Å; F21-H116 AromaticContact CD2-ND1 4Å; F21-H116 AromaticContact CE1-CE1 3.55Å; F21-H116 AromaticContact CE1-CG 3.99Å; F21-H116 AromaticContact CE1-ND1 3.35Å; F21-H116 VanDerWaalsContact CE1-ND1 3.35Å; F21-H116 WeakPolarHBondContact CE1-ND1 3.47Å; F21-H116 HydrophobicContact CE2-CB 4.1Å; F21-H116 AromaticContact CE2-ND1 3.61Å; F21-H116 HydrophobicContact CG-CB 3.89Å; F21-H116 AromaticContact CG-CG 3.95Å; F21-H116 AromaticContact CZ-CE1 3.82Å; F21-H116 AromaticContact CZ-ND1 3.27Å; F21-H116 VanDerWaalsContact CZ-ND1 3.27Å; F21-H116 WeakPolarHBondContact CZ-ND1 3.32Å; M112-H116 WeakPolarHBondContact CB-O 3.43Å; M112-H116 WeakPolarHBondContact CG-O 3.49Å; M112-H116 PolarHBondContact N-O 3.24Å; M112-H116 HydrophobicContact SD-CB 4.29Å; N114-H116 PolarHBondContact O-CD2 3.42Å; N114-H116 PolarHBondContact O-N 3.07Å; N114-H116 VanDerWaalsContact O-N 3.12Å; N114-H116 WeakPolarHBondContact OD1-CB 3.49Å; N114-H116 PolarHBondContact OD1-N 3.01Å
117	I	97.4	Very high	94.7	Very high	3 Å²	3	41 Å²	41	2%	0.015	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	122.7	172.7	-57.5	165	0	0	0	107.2	T19 L47 I56 E110 T119 V120	T19-I117 VanDerWaalsContact CB-O 3.29Å; T19-I117 WeakPolarHBondContact CB-O 3.38Å; T19-I117 VanDerWaalsContact CG2-O 3.23Å; T19-I117 WeakPolarHBondContact CG2-O 3.14Å; T19-I117 PolarHBondContact OG1-O 3.06Å; L47-I117 HydrophobicContact CD1-CD1 3.83Å; I56-I117 HydrophobicContact CD1-CD1 3.29Å; I56-I117 HydrophobicContact CD1-CG1 4.44Å; E110-I117 CarbonylContact O-C 3.59Å; E110-I117 WeakPolarHBondContact O-CA 3.4Å; I117-T119 WeakPolarHBondContact CG2-O 3.48Å; I117-V120 HydrophobicContact CG2-CG2 3.75Å
118	A	97.1	Very high	94.8	Very high	5 Å²	5	41.7 Å²	41.7	4%	0.041	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-42.8	174.8	0	0	0	0	0	111.9	T19 H24 E110 M112	T19-A118 PolarHBondContact N-O 3.32Å; T19-A118 WeakPolarHBondContact OG1-CA 3.35Å; T19-A118 PolarHBondContact OG1-O 2.8Å; H24-A118 HydrophobicContact CB-CB 4.42Å; H24-A118 WeakPolarHBondContact CD2-CB 3.16Å; H24-A118 WeakPolarHBondContact NE2-CB 3.07Å; E110-A118 HydrophobicContact CB-CB 4.48Å; E110-A118 HydrophobicContact CG-CB 4.18Å; E110-A118 PolarHBondContact O-N 3.1Å; M112-A118 HydrophobicContact CG-CB 3.85Å; M112-A118 HydrophobicContact SD-CB 3.95Å
119	T	97	Very high	94.8	Very high	8 Å²	8	40.9 Å²	40.9	5%	0.049	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	135.3	-172.5	-47.3	0	0	0	0	110.4	I16 L17 E110 I117	I16-T119 HydrophobicContact CG2-CG2 3.36Å; L17-T119 WeakPolarHBondContact O-CA 3.5Å; E110-T119 PolarHBondContact N-O 2.64Å; E110-T119 WeakPolarHBondContact OE2-CB 3.37Å; E110-T119 PolarHBondContact OE2-OG1 3.21Å; I117-T119 WeakPolarHBondContact CG2-O 3.48Å
120	V	97.2	Very high	94.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.8	164.3	-176.7	0	0	0	0	108.2	L17 F35 L37 L47 V107 F109 I117 L122	L17-V120 HydrophobicContact CB-CB 4.2Å; L17-V120 WeakPolarHBondContact CB-O 3.48Å; L17-V120 HydrophobicContact CD1-CB 4.31Å; L17-V120 HydrophobicContact CD1-CG1 4.47Å; L17-V120 PolarHBondContact N-O 2.79Å; L17-V120 PolarHBondContact O-N 3.01Å; F35-V120 HydrophobicContact CE1-CG2 4.41Å; F35-V120 HydrophobicContact CE2-CG2 4.18Å; F35-V120 HydrophobicContact CZ-CB 4.31Å; F35-V120 HydrophobicContact CZ-CG2 3.62Å; L37-V120 HydrophobicContact CD1-CG1 3.96Å; L47-V120 HydrophobicContact CD2-CG1 4.43Å; L47-V120 HydrophobicContact CD2-CG2 4.1Å; V107-V120 HydrophobicContact CG1-CG1 3.79Å; F109-V120 HydrophobicContact CD1-CG1 4.24Å; F109-V120 HydrophobicContact CD1-CG2 4.05Å; F109-V120 HydrophobicContact CE1-CG1 3.98Å; F109-V120 HydrophobicContact CE1-CG2 4.28Å; I117-V120 HydrophobicContact CG2-CG2 3.75Å; V120-L122 HydrophobicContact CG1-CD2 4.13Å
121	M	97	Very high	94.5	Very high	38 Å²	38	45.6 Å²	45.6	19%	0.187	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119.1	179.8	178	179.2	-55.1	0	0	109.4	K14 F15 V107 I108 L123	K14-M121 HydrophobicContact CD-CG 4.16Å; K14-M121 HydrophobicContact CD-SD 3.95Å; K14-M121 WeakPolarHBondContact CE-SD 3.31Å; K14-M121 HydrophobicContact CG-CG 4.08Å; K14-M121 PolarHBondContact NZ-SD 2.74Å; F15-M121 CarbonylContact O-C 3.58Å; F15-M121 VanDerWaalsContact O-CA 3.31Å; F15-M121 WeakPolarHBondContact O-CA 3.23Å; V107-M121 CarbonylContact C-O 3.59Å; V107-M121 WeakPolarHBondContact CA-O 3.48Å; I108-M121 HydrophobicContact CB-CB 4.17Å; I108-M121 HydrophobicContact CD1-SD 4.12Å; I108-M121 PolarHBondContact N-O 2.86Å; I108-M121 PolarHBondContact O-N 3.49Å; M121-L123 HydrophobicContact CG-CD2 3.94Å; M121-L123 HydrophobicContact CG-CG 4.41Å; M121-L123 HydrophobicContact SD-CD2 4.06Å
122	L	95.9	Very high	94.3	Very high	41 Å²	41	48.4 Å²	48.4	22%	0.215	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	126.8	175.5	-51.7	174.8	0	0	0	108	K14 F15 L17 L37 V107 V120	K14-L122 CarbonylContact C-O 3.55Å; K14-L122 VanDerWaalsContact CA-O 3.23Å; K14-L122 WeakPolarHBondContact CA-O 3.49Å; F15-L122 HydrophobicContact CB-CB 4.21Å; F15-L122 HydrophobicContact CB-CD1 4.47Å; F15-L122 PolarHBondContact N-O 2.81Å; F15-L122 PolarHBondContact O-N 2.94Å; L17-L122 HydrophobicContact CD1-CD1 4.24Å; L37-L122 HydrophobicContact CD1-CD1 4.36Å; L37-L122 HydrophobicContact CD1-CD2 4.05Å; L37-L122 HydrophobicContact CD2-CD1 4.07Å; V107-L122 HydrophobicContact CB-CD2 4.4Å; V107-L122 HydrophobicContact CG1-CD2 3.95Å; V107-L122 HydrophobicContact CG2-CD2 3.71Å; V120-L122 HydrophobicContact CG1-CD2 4.13Å
123	L	94.8	Very high	94	Very high	64 Å²	64	51.4 Å²	51.4	34%	0.335	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	147.7	178.2	-57.6	175.9	0	0	0	109	K14 D106 I108 M121	K14-L123 HydrophobicContact CB-CD2 3.99Å; K14-L123 HydrophobicContact CD-CD2 3.83Å; K14-L123 HydrophobicContact CG-CD2 3.9Å; D106-L123 HydrophobicContact CB-CB 4.34Å; D106-L123 WeakPolarHBondContact CB-O 3.34Å; D106-L123 WeakPolarHBondContact O-CB 3.43Å; D106-L123 PolarHBondContact O-N 3.05Å; I108-L123 HydrophobicContact CD1-CD1 3.97Å; I108-L123 HydrophobicContact CG1-CD1 4.46Å; M121-L123 HydrophobicContact CG-CD2 3.94Å; M121-L123 HydrophobicContact CG-CG 4.41Å; M121-L123 HydrophobicContact SD-CD2 4.06Å
124	N	89.6	Confident	94	Very high	95 Å²	95	47.6 Å²	47.6	51%	0.508	27%	0.272	S	S	.	.			trans	-124.7	111.2	168.5	-171.8	23.2	0	0	0	106.1	A12 K13	A12-N124 PolarHBondContact O-ND2 2.87Å; K13-N124 PolarHBondContact O-N 2.85Å
125	S	72.5	Confident	93.9	Very high	149 Å²	149	44.7 Å²	44.7	100%	1.042	26%	0.258	S	S	*	.			trans	-78.7	0	-175.1	-66.4	0	0	0	0	111.9	D106	D106-S125 PolarHBondContact OD1-OG 3.37Å

Retrieved 125 of 125 residues in 210.5 ms (Link to these results)

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