A0A077YZH6_TRITR Loading...

Galectin

AlphaFold DB , UniProt , Accession A0A077YZH6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 136 aa.

						>A0A077YZH6_TRITR|A0A077YZH6
MQARLAVISAENFTTGSVVLVSGEMAEDVKSLIINLVSKANKQILFHFNPRFLKKKVYRNAKLNNTWGKEEFDGDFPFSTASNFTIMIVCQTEGFRVFVDQAPKFFFAHRETAEFIDTVYVEGNSSDIVINDVGVY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	73.2	Confident	92.6	Very high	192 Å²	192	81.5 Å²	81.5	95%	0.946	43%	0.427	S	S	*	.				0	140.1	0	178.3	-174.4	-71.3	0	0	106.4	A3 N124	M1-A3 PolarHBondContact O-N 3.33Å; M1-N124 PolarHBondContact N-OD1 3.4Å; M1-N124 PolarHBondContact O-OD1 2.9Å
2	Q	85.9	Confident	92.7	Very high	99 Å²	99	87.3 Å²	87.3	46%	0.463	46%	0.458	S	S	.	.			trans	-65	126.5	175.5	-174.7	178.4	-9.8	0	0	109.6	E122 G123	Q2-E122 PolarHBondContact NE2-OE2 3.42Å; Q2-G123 CarbonylContact C-O 3.59Å; Q2-G123 WeakPolarHBondContact CA-O 3.16Å
3	A	91.9	Very high	93.1	Very high	45 Å²	45	80.8 Å²	80.8	37%	0.372	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	164.7	-176.5	0	0	0	0	0	109.9	M1 L5 E122 G123	M1-A3 PolarHBondContact O-N 3.33Å; A3-L5 PolarHBondContact O-N 2.87Å; A3-E122 CarbonylContact O-C 3.57Å; A3-E122 WeakPolarHBondContact O-CA 3.48Å; A3-E122 WeakPolarHBondContact O-CB 3.41Å; A3-G123 PolarHBondContact N-O 2.97Å; A3-G123 PolarHBondContact O-N 2.77Å; A3-G123 VanDerWaalsContact O-O 3.07Å
4	R	95.5	Very high	93.4	Very high	132 Å²	132	79.4 Å²	79.4	50%	0.498	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	112.4	171.8	-166.4	161.8	-69	154.6	-4.5	108.8	V7 E122	R4-V7 HydrophobicContact CG-CG2 3.59Å; R4-E122 HydrophobicContact CB-CG 4.5Å; R4-E122 HydrophobicContact CG-CG 4.43Å; R4-E122 IonicContact CZ-OE1 3.68Å; R4-E122 IonicContact NE-OE1 3.37Å; R4-E122 PolarHBondContact NE-OE1 3.49Å; R4-E122 IonicContact NH2-OE1 3.04Å; R4-E122 PolarHBondContact NH2-OE1 3.19Å
5	L	96.4	Very high	93.8	Very high	48 Å²	48	78.4 Å²	78.4	25%	0.251	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-33	-178.6	-56.6	-176.8	0	0	0	111.5	A3 V121 I128 I130	A3-L5 PolarHBondContact O-N 2.87Å; L5-V121 PolarHBondContact N-O 3.48Å; L5-I128 HydrophobicContact CD1-CB 4.15Å; L5-I128 HydrophobicContact CD1-CG2 4.03Å; L5-I130 HydrophobicContact CB-CG1 3.85Å; L5-I130 HydrophobicContact CD1-CD1 4.34Å; L5-I130 HydrophobicContact CD1-CG1 3.92Å
6	A	97.1	Very high	94	Very high	24 Å²	24	76.7 Å²	76.7	20%	0.198	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	152.7	174.7	0	0	0	0	0	112.4	V121 V133	A6-V121 HydrophobicContact CB-CB 4.09Å; A6-V121 HydrophobicContact CB-CG2 4.32Å; A6-V121 PolarHBondContact N-O 2.96Å; A6-V121 VanDerWaalsContact N-O 3.11Å; A6-V121 PolarHBondContact O-N 3.15Å; A6-V133 HydrophobicContact CB-CB 4.43Å; A6-V133 HydrophobicContact CB-CG2 3.74Å
7	V	97.7	Very high	94.3	Very high	82 Å²	82	72.9 Å²	72.9	50%	0.497	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	122.2	172.4	-172.6	0	0	0	0	108.6	R4 T118 V119 Y120	R4-V7 HydrophobicContact CG-CG2 3.59Å; V7-T118 HydrophobicContact CG1-CG2 3.92Å; V7-V119 WeakPolarHBondContact CA-O 3.38Å; V7-Y120 HydrophobicContact CB-CD1 4.25Å; V7-Y120 HydrophobicContact CB-CE1 4.41Å; V7-Y120 HydrophobicContact CG1-CD1 3.75Å; V7-Y120 HydrophobicContact CG1-CE1 3.55Å; V7-Y120 HydrophobicContact CG2-CD1 3.87Å; V7-Y120 HydrophobicContact CG2-CE1 4.12Å
8	I	97.2	Very high	94.5	Very high	52 Å²	52	70.8 Å²	70.8	27%	0.267	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	143.7	174.9	-169.6	162.5	0	0	0	110.2	T118 V119 V133 V135	I8-T118 WeakPolarHBondContact O-CA 3.41Å; I8-V119 HydrophobicContact CG2-CB 3.64Å; I8-V119 HydrophobicContact CG2-CG1 4.46Å; I8-V119 HydrophobicContact CG2-CG2 4.14Å; I8-V119 PolarHBondContact N-O 3.3Å; I8-V119 VanDerWaalsContact N-O 3.09Å; I8-V119 PolarHBondContact O-N 3.47Å; I8-V133 HydrophobicContact CB-CG1 4.43Å; I8-V133 VanDerWaalsContact CD1-O 3.24Å; I8-V133 WeakPolarHBondContact CD1-O 3.18Å; I8-V133 HydrophobicContact CG2-CG1 3.7Å; I8-V135 HydrophobicContact CG2-CG2 3.98Å
9	S	97	Very high	94.8	Very high	67 Å²	67	67.1 Å²	67.1	47%	0.469	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	140.7	171.2	-166	0	0	0	0	109.4	E11	S9-E11 WeakPolarHBondContact OG-CG 3.33Å
10	A	96.4	Very high	95	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.008	36%	0.364	C	S	.	.			trans	-115.7	66.9	176.6	0	0	0	0	0	109.4	N12 F13 I116 D117 V119 V135	A10-N12 PolarHBondContact O-N 2.96Å; A10-F13 HydrophobicContact CB-CB 4.34Å; A10-F13 HydrophobicContact CB-CD2 4.02Å; A10-F13 PolarHBondContact O-N 3.06Å; A10-I116 HydrophobicContact CB-CG2 4.1Å; A10-D117 PolarHBondContact N-O 3.27Å; A10-V119 HydrophobicContact CB-CG2 4.4Å; A10-V135 HydrophobicContact CB-CG1 4.16Å; A10-V135 HydrophobicContact CB-CG2 4.14Å
11	E	89.8	Confident	95.1	Very high	155 Å²	155	62.3 Å²	62.3	72%	0.724	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	132.7	-176.7	-60.6	-176.5	-177.1	0	0	110.9	S9 F13	S9-E11 WeakPolarHBondContact OG-CG 3.33Å; E11-F13 VanDerWaalsContact C-N 3.26Å; E11-F13 PolarHBondContact O-N 2.9Å
12	N	93.9	Very high	96.3	Very high	150 Å²	150	54.3 Å²	54.3	80%	0.802	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	34	-178.6	-49.2	-58.2	0	0	0	114.1	A10 T14	A10-N12 PolarHBondContact O-N 2.96Å; N12-T14 PolarHBondContact O-N 3.17Å
13	F	98.2	Very high	96.9	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.018	29%	0.289	C	S	.	.			trans	-55.5	129.5	174.5	-161.7	-88	0	0	0	110.4	A10 E11 V19 L36 C90 F95 A113 E114 I116 V135	A10-F13 HydrophobicContact CB-CB 4.34Å; A10-F13 HydrophobicContact CB-CD2 4.02Å; A10-F13 PolarHBondContact O-N 3.06Å; E11-F13 VanDerWaalsContact C-N 3.26Å; E11-F13 PolarHBondContact O-N 2.9Å; F13-V19 HydrophobicContact CE2-CG2 3.74Å; F13-V19 HydrophobicContact CZ-CG2 4.36Å; F13-L36 HydrophobicContact CZ-CD1 4.23Å; F13-C90 HydrophobicContact CE1-CB 3.71Å; F13-C90 HydrophobicContact CZ-CB 3.86Å; F13-F95 AromaticContact CE1-CE1 3.97Å; F13-F95 HydrophobicContact CE1-CE1 3.97Å; F13-F95 HydrophobicContact CZ-CE1 4.13Å; F13-A113 WeakPolarHBondContact CD1-O 3.24Å; F13-E114 WeakPolarHBondContact O-CA 3.35Å; F13-I116 HydrophobicContact CB-CB 4.16Å; F13-I116 HydrophobicContact CB-CG2 4.34Å; F13-I116 VanDerWaalsContact CB-O 3.27Å; F13-I116 WeakPolarHBondContact CB-O 3.2Å; F13-I116 HydrophobicContact CD1-CB 3.79Å; F13-I116 HydrophobicContact CD1-CD1 3.88Å; F13-I116 HydrophobicContact CD1-CG1 4.38Å; F13-I116 HydrophobicContact CD1-CG2 4.17Å; F13-I116 HydrophobicContact CD2-CG2 4.04Å; F13-I116 HydrophobicContact CE1-CB 4.31Å; F13-I116 HydrophobicContact CE1-CD1 3.57Å; F13-I116 HydrophobicContact CE2-CG2 4.38Å; F13-I116 HydrophobicContact CG-CB 3.89Å; F13-I116 HydrophobicContact CG-CG2 3.91Å; F13-I116 HydrophobicContact CZ-CD1 4.15Å; F13-V135 HydrophobicContact CD2-CG1 3.97Å; F13-V135 HydrophobicContact CE2-CG1 4.26Å
14	T	98.1	Very high	97.2	Very high	61 Å²	61	51.8 Å²	51.8	37%	0.374	29%	0.291	S	S	.	.			trans	-155.5	-178.7	-177.5	-170.4	0	0	0	0	110.9	N12 G16 S17 C90 E114	N12-T14 PolarHBondContact O-N 3.17Å; T14-G16 PolarHBondContact O-N 3.09Å; T14-S17 PolarHBondContact N-OG 2.98Å; T14-S17 VanDerWaalsContact O-CB 3.27Å; T14-S17 WeakPolarHBondContact O-CB 3.27Å; T14-S17 PolarHBondContact O-N 2.83Å; T14-S17 PolarHBondContact O-OG 2.9Å; T14-C90 WeakPolarHBondContact O-CB 3.38Å; T14-E114 PolarHBondContact OG1-OE1 2.93Å
15	T	98.2	Very high	97.2	Very high	64 Å²	64	45.9 Å²	45.9	39%	0.393	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	125.7	168.9	-64.1	0	0	0	0	110.3
16	G	98.1	Very high	97.2	Very high	51 Å²	51	45.2 Å²	45.2	53%	0.526	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.6	-20.7	-174	0	0	0	0	0	113.8	T14 C90	T14-G16 PolarHBondContact O-N 3.09Å; G16-C90 PolarHBondContact N-O 2.9Å
17	S	98.6	Very high	97	Very high	12 Å²	12	51.4 Å²	51.4	8%	0.084	30%	0.296	C	S	.	.			trans	-60.7	142.8	177	-63.9	0	0	0	0	111.9	T14 C90 Y136	T14-S17 PolarHBondContact N-OG 2.98Å; T14-S17 VanDerWaalsContact O-CB 3.27Å; T14-S17 WeakPolarHBondContact O-CB 3.27Å; T14-S17 PolarHBondContact O-N 2.83Å; T14-S17 PolarHBondContact O-OG 2.9Å; S17-C90 PolarHBondContact O-N 3.16Å; S17-Y136 CarbonylContact C-O 3.58Å; S17-Y136 VanDerWaalsContact CA-O 3.26Å; S17-Y136 WeakPolarHBondContact CA-O 3.31Å
18	V	98.6	Very high	96.7	Very high	35 Å²	35	52.2 Å²	52.2	21%	0.212	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	123.9	-178.1	-177.2	0	0	0	0	109.9	M87 I88 V89 V135 Y136	V18-M87 HydrophobicContact CG1-CG 3.42Å; V18-M87 VanDerWaalsContact CG1-CG 3.42Å; V18-M87 HydrophobicContact CG1-SD 4.02Å; V18-I88 WeakPolarHBondContact CA-O 3.43Å; V18-V89 HydrophobicContact CG1-CG2 4.44Å; V18-V89 HydrophobicContact CG2-CG1 4.42Å; V18-V89 HydrophobicContact CG2-CG2 4.27Å; V18-V135 CarbonylContact O-C 3.59Å; V18-V135 WeakPolarHBondContact O-CA 3.47Å; V18-Y136 PolarHBondContact N-O 2.9Å; V18-Y136 PolarHBondContact O-N 3.02Å
19	V	98.8	Very high	96.6	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	123.9	167.8	-176.3	0	0	0	0	108.8	F13 V21 L36 M87 I88 V119 G134 V135	F13-V19 HydrophobicContact CE2-CG2 3.74Å; F13-V19 HydrophobicContact CZ-CG2 4.36Å; V19-V21 HydrophobicContact CG1-CG2 4.25Å; V19-L36 HydrophobicContact CB-CD2 4.47Å; V19-L36 HydrophobicContact CG1-CD2 4.39Å; V19-L36 HydrophobicContact CG2-CD2 3.81Å; V19-M87 CarbonylContact O-C 3.57Å; V19-M87 WeakPolarHBondContact O-CA 3.37Å; V19-I88 HydrophobicContact CB-CB 4.24Å; V19-I88 PolarHBondContact N-O 3.31Å; V19-I88 PolarHBondContact O-N 2.94Å; V19-V119 HydrophobicContact CG1-CG1 3.93Å; V19-V119 HydrophobicContact CG1-CG2 4.1Å; V19-V119 HydrophobicContact CG2-CG2 4.03Å; V19-G134 CarbonylContact C-O 3.5Å; V19-G134 WeakPolarHBondContact CA-O 3.47Å; V19-V135 HydrophobicContact CG2-CG2 4.33Å
20	L	98.6	Very high	96.3	Very high	34 Å²	34	53.5 Å²	53.5	18%	0.178	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.8	174.8	-171.5	69.6	0	0	0	109.3	T85 M87 V133 G134 Y136	L20-T85 HydrophobicContact CD1-CG2 3.62Å; L20-M87 HydrophobicContact CD1-CB 4.32Å; L20-M87 HydrophobicContact CD1-CE 4.34Å; L20-V133 CarbonylContact O-C 3.54Å; L20-V133 VanDerWaalsContact O-CA 3.3Å; L20-V133 WeakPolarHBondContact O-CA 3.35Å; L20-G134 PolarHBondContact N-O 3.03Å; L20-G134 PolarHBondContact O-N 3.29Å; L20-Y136 HydrophobicContact CB-CD2 4.45Å; L20-Y136 HydrophobicContact CB-CE2 3.98Å; L20-Y136 HydrophobicContact CD2-CE2 4.26Å
21	V	98.7	Very high	96.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	121.4	171.6	-176.6	0	0	0	0	108	V19 I34 F84 I86 V121 I130 D132 V133	V19-V21 HydrophobicContact CG1-CG2 4.25Å; V21-I34 HydrophobicContact CB-CD1 3.97Å; V21-I34 HydrophobicContact CG1-CD1 4.32Å; V21-I34 HydrophobicContact CG2-CD1 3.72Å; V21-I34 HydrophobicContact CG2-CG1 4.26Å; V21-F84 HydrophobicContact CG1-CE2 4.15Å; V21-I86 PolarHBondContact N-O 3.35Å; V21-I86 PolarHBondContact O-N 2.86Å; V21-V121 HydrophobicContact CG1-CG1 4.15Å; V21-V121 HydrophobicContact CG1-CG2 4.04Å; V21-V121 HydrophobicContact CG2-CG2 3.91Å; V21-I130 HydrophobicContact CG1-CD1 4.39Å; V21-D132 WeakPolarHBondContact CA-O 3.32Å; V21-V133 HydrophobicContact CG1-CG2 4.33Å; V21-V133 HydrophobicContact CG2-CG1 4.3Å
22	S	98.3	Very high	96.5	Very high	25 Å²	25	46.9 Å²	46.9	18%	0.175	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	154.1	174.5	76	0	0	0	0	111.7	F84 N131 D132	S22-F84 VanDerWaalsContact CA-O 3.28Å; S22-F84 WeakPolarHBondContact CA-O 3.46Å; S22-F84 WeakPolarHBondContact CB-O 3.02Å; S22-N131 PolarHBondContact O-N 3.48Å; S22-D132 PolarHBondContact N-O 3.39Å; S22-D132 PolarHBondContact O-N 3.12Å; S22-D132 WeakPolarHBondContact OG-CB 3.38Å
23	G	97.9	Very high	96.7	Very high	2 Å²	2	40.4 Å²	40.4	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.3	-167.8	-176.1	0	0	0	0	0	113.3	N83 F84 V129	G23-N83 CarbonylContact O-C 3.51Å; G23-N83 VanDerWaalsContact O-CA 3.29Å; G23-N83 WeakPolarHBondContact O-CA 3.45Å; G23-F84 PolarHBondContact N-O 3.48Å; G23-F84 VanDerWaalsContact N-O 3.08Å; G23-F84 WeakPolarHBondContact O-CD1 3.11Å; G23-F84 PolarHBondContact O-N 3.31Å; G23-V129 CarbonylContact C-O 3.6Å; G23-V129 WeakPolarHBondContact CA-O 3.25Å
24	E	97.4	Very high	96.7	Very high	88 Å²	88	40.2 Å²	40.2	41%	0.411	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.1	-178.8	-69.6	167.6	-116.3	0	0	109.3	I128 V129 N131	E24-I128 WeakPolarHBondContact O-CA 3.32Å; E24-V129 HydrophobicContact CB-CB 4.47Å; E24-V129 PolarHBondContact N-O 3.23Å; E24-V129 PolarHBondContact O-N 2.83Å; E24-N131 PolarHBondContact OE1-ND2 3.47Å
25	M	96.6	Very high	96.8	Very high	8 Å²	8	37.6 Å²	37.6	4%	0.039	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	134	176.8	-68.7	178.6	-64.4	0	0	110.3	V29 F52 F78 S79 A81 S82 F84 I128	M25-V29 HydrophobicContact CB-CB 4.1Å; M25-V29 HydrophobicContact CB-CG1 4Å; M25-V29 HydrophobicContact CB-CG2 4.26Å; M25-V29 HydrophobicContact CG-CB 4.47Å; M25-V29 HydrophobicContact CG-CG1 4.45Å; M25-V29 HydrophobicContact CG-CG2 4.09Å; M25-V29 HydrophobicContact SD-CG1 4.28Å; M25-V29 HydrophobicContact SD-CG2 4.24Å; M25-F52 HydrophobicContact SD-CE1 3.71Å; M25-F52 HydrophobicContact SD-CZ 3.51Å; M25-F52 VanDerWaalsContact SD-CZ 3.51Å; M25-F78 HydrophobicContact CE-CB 4.13Å; M25-F78 HydrophobicContact CE-CD1 3.87Å; M25-F78 HydrophobicContact CE-CG 4.39Å; M25-F78 HydrophobicContact SD-CD1 4.48Å; M25-S79 WeakPolarHBondContact CE-O 3.15Å; M25-A81 CarbonylContact O-C 3.54Å; M25-A81 WeakPolarHBondContact O-CA 3.28Å; M25-A81 PolarHBondContact O-N 2.71Å; M25-S82 PolarHBondContact N-O 2.77Å; M25-S82 PolarHBondContact O-N 2.86Å; M25-F84 HydrophobicContact CE-CB 3.81Å; M25-F84 HydrophobicContact CE-CD1 3.71Å; M25-F84 HydrophobicContact CE-CG 4.01Å; M25-F84 HydrophobicContact CG-CD1 3.59Å; M25-F84 HydrophobicContact CG-CE1 3.67Å; M25-F84 HydrophobicContact SD-CD1 3.9Å; M25-F84 HydrophobicContact SD-CE1 4.27Å; M25-F84 HydrophobicContact SD-CG 4.48Å; M25-I128 HydrophobicContact CG-CD1 4.3Å; M25-I128 HydrophobicContact CG-CG1 4.13Å
26	A	95.8	Very high	96.8	Very high	35 Å²	35	34.6 Å²	34.6	29%	0.289	19%	0.193	S	C	.	.			trans	-66.7	170	169.5	0	0	0	0	0	111.8	D28 V29 A81 D127	A26-D28 VanDerWaalsContact C-N 3.31Å; A26-D28 PolarHBondContact O-N 2.9Å; A26-V29 WeakPolarHBondContact O-CG1 3.41Å; A26-V29 PolarHBondContact O-N 3.05Å; A26-A81 PolarHBondContact O-N 2.96Å; A26-D127 HydrophobicContact CB-CB 4.18Å; A26-D127 WeakPolarHBondContact CB-O 3.42Å; A26-D127 PolarHBondContact N-O 3.4Å
27	E	93.4	Very high	96.8	Very high	154 Å²	154	32.6 Å²	32.6	72%	0.72	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-38.6	178.1	-170.6	176.2	175.7	0	0	112.4	T80 A81	E27-T80 VanDerWaalsContact O-CB 3.25Å; E27-T80 WeakPolarHBondContact O-CB 3.48Å; E27-T80 PolarHBondContact O-OG1 2.82Å; E27-A81 HydrophobicContact CB-CB 4.12Å
28	D	91	Very high	96.8	Very high	98 Å²	98	32.1 Å²	32.1	52%	0.524	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	23.7	-176	76.3	-43.6	0	0	0	113.7	A26 K30	A26-D28 VanDerWaalsContact C-N 3.31Å; A26-D28 PolarHBondContact O-N 2.9Å; D28-K30 WeakPolarHBondContact O-CG 3.36Å; D28-K30 PolarHBondContact O-N 3.13Å; D28-K30 IonicContact OD2-NZ 3.79Å
29	V	94.8	Very high	96.6	Very high	6 Å²	6	35.1 Å²	35.1	4%	0.036	18%	0.177	C	C	.	.			trans	-48.3	127.6	179.6	58.5	0	0	0	0	112.5	M25 A26 F52 T80 I128	M25-V29 HydrophobicContact CB-CB 4.1Å; M25-V29 HydrophobicContact CB-CG1 4Å; M25-V29 HydrophobicContact CB-CG2 4.26Å; M25-V29 HydrophobicContact CG-CB 4.47Å; M25-V29 HydrophobicContact CG-CG1 4.45Å; M25-V29 HydrophobicContact CG-CG2 4.09Å; M25-V29 HydrophobicContact SD-CG1 4.28Å; M25-V29 HydrophobicContact SD-CG2 4.24Å; A26-V29 WeakPolarHBondContact O-CG1 3.41Å; A26-V29 PolarHBondContact O-N 3.05Å; V29-F52 HydrophobicContact CB-CE1 4.47Å; V29-F52 HydrophobicContact CG1-CD1 3.51Å; V29-F52 HydrophobicContact CG1-CD2 4.49Å; V29-F52 HydrophobicContact CG1-CE1 3.45Å; V29-F52 VanDerWaalsContact CG1-CE1 3.45Å; V29-F52 HydrophobicContact CG1-CE2 4.44Å; V29-F52 HydrophobicContact CG1-CG 4.07Å; V29-F52 HydrophobicContact CG1-CZ 3.95Å; V29-F52 HydrophobicContact CG2-CD2 4.24Å; V29-F52 HydrophobicContact CG2-CE1 4.18Å; V29-F52 HydrophobicContact CG2-CE2 3.81Å; V29-F52 HydrophobicContact CG2-CZ 3.78Å; V29-F52 WeakPolarHBondContact O-CB 3.38Å; V29-F52 WeakPolarHBondContact O-CG 3.41Å; V29-T80 HydrophobicContact CG1-CG2 3.72Å; V29-I128 HydrophobicContact CG2-CD1 3.55Å; V29-I128 HydrophobicContact CG2-CG1 3.52Å
30	K	91.6	Very high	96.3	Very high	140 Å²	140	39.2 Å²	39.2	61%	0.609	21%	0.211	S	C	*	.			trans	-107	-35.8	-172.3	-58.2	-177.6	-176.7	159.6	0	113	D28	D28-K30 WeakPolarHBondContact O-CG 3.36Å; D28-K30 PolarHBondContact O-N 3.13Å; D28-K30 IonicContact OD2-NZ 3.79Å
31	S	92.9	Very high	96.2	Very high	18 Å²	18	41.2 Å²	41.2	13%	0.126	22%	0.222	C	C	.	.			trans	-148.3	125.1	-170	59.9	0	0	0	0	112.2	G123 I128	S31-G123 WeakPolarHBondContact O-CA 3.02Å; S31-I128 WeakPolarHBondContact O-CD1 3.36Å
32	L	96.8	Very high	96.1	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.9	161.7	178.4	58.6	0	0	0	106.7	P50 F52 F84 I86 V121 E122 I128	L32-P50 WeakPolarHBondContact O-CD 3.06Å; L32-F52 HydrophobicContact CB-CE2 4Å; L32-F52 HydrophobicContact CB-CZ 4.29Å; L32-F84 HydrophobicContact CD1-CZ 4.43Å; L32-F84 HydrophobicContact CD2-CD2 4.39Å; L32-F84 HydrophobicContact CD2-CE2 3.91Å; L32-F84 HydrophobicContact CD2-CZ 4.02Å; L32-I86 HydrophobicContact CD2-CD1 3.66Å; L32-V121 HydrophobicContact CD1-CG1 4.04Å; L32-E122 CarbonylContact C-O 3.49Å; L32-I128 HydrophobicContact CB-CD1 3.69Å; L32-I128 HydrophobicContact CD1-CD1 4.04Å; L32-I128 HydrophobicContact CG-CD1 4.33Å
33	I	98.4	Very high	96.1	Very high	13 Å²	13	49.4 Å²	49.4	7%	0.067	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	133.4	176	-55.3	-166.2	0	0	0	108.7	H47 F48 N49 V121 E122	I33-H47 WeakPolarHBondContact CG2-CE1 3.49Å; I33-F48 WeakPolarHBondContact CA-O 3.33Å; I33-N49 HydrophobicContact CG1-CB 4.36Å; I33-N49 WeakPolarHBondContact CG1-ND2 3.28Å; I33-V121 CarbonylContact O-C 3.54Å; I33-V121 WeakPolarHBondContact O-CA 3.46Å; I33-E122 HydrophobicContact CB-CB 4.23Å; I33-E122 PolarHBondContact N-O 3.47Å; I33-E122 PolarHBondContact O-N 2.87Å
34	I	98.8	Very high	96.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.4	168.7	-56.6	167.9	0	0	0	107.5	V21 L36 F48 I86 I88 V119 Y120	V21-I34 HydrophobicContact CB-CD1 3.97Å; V21-I34 HydrophobicContact CG1-CD1 4.32Å; V21-I34 HydrophobicContact CG2-CD1 3.72Å; V21-I34 HydrophobicContact CG2-CG1 4.26Å; I34-L36 HydrophobicContact CG2-CD2 4.4Å; I34-F48 HydrophobicContact CB-CB 4.28Å; I34-F48 HydrophobicContact CD1-CD1 4.25Å; I34-F48 PolarHBondContact N-O 2.86Å; I34-F48 PolarHBondContact O-N 2.96Å; I34-I86 HydrophobicContact CD1-CB 4.19Å; I34-I86 HydrophobicContact CD1-CD1 3.77Å; I34-I86 HydrophobicContact CD1-CG2 3.87Å; I34-I88 HydrophobicContact CB-CD1 4.43Å; I34-I88 HydrophobicContact CD1-CD1 4.32Å; I34-I88 HydrophobicContact CG2-CD1 3.86Å; I34-V119 HydrophobicContact CG2-CG1 3.99Å; I34-Y120 CarbonylContact C-O 3.59Å; I34-Y120 WeakPolarHBondContact CA-O 3.32Å
35	N	98.8	Very high	96.2	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.037	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122	175.7	-66	-51	0	0	0	109.8	V37 I44 F46 H47 V119 Y120	N35-V37 HydrophobicContact CB-CG2 3.73Å; N35-I44 HydrophobicContact CB-CG2 4.03Å; N35-F46 CarbonylContact C-O 3.57Å; N35-F46 WeakPolarHBondContact CA-O 3.41Å; N35-H47 PolarHBondContact OD1-ND1 3.38Å; N35-V119 WeakPolarHBondContact O-CA 3.29Å; N35-Y120 HydrophobicContact CB-CD2 4.44Å; N35-Y120 PolarHBondContact N-O 2.9Å; N35-Y120 PolarHBondContact O-N 3.23Å
36	L	98.8	Very high	96.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	117.6	164.4	-48.9	-172.4	0	0	0	108.1	F13 V19 I34 L45 F46 I88 F95 I116 V119	F13-L36 HydrophobicContact CZ-CD1 4.23Å; V19-L36 HydrophobicContact CB-CD2 4.47Å; V19-L36 HydrophobicContact CG1-CD2 4.39Å; V19-L36 HydrophobicContact CG2-CD2 3.81Å; I34-L36 HydrophobicContact CG2-CD2 4.4Å; L36-L45 PolarHBondContact O-N 3.04Å; L36-F46 HydrophobicContact CB-CB 4.08Å; L36-F46 HydrophobicContact CD1-CB 4.04Å; L36-F46 HydrophobicContact CD1-CD1 3.94Å; L36-F46 HydrophobicContact CD1-CG 4.48Å; L36-F46 HydrophobicContact CG-CB 4.04Å; L36-F46 HydrophobicContact CG-CD1 4.1Å; L36-F46 PolarHBondContact N-O 2.91Å; L36-F46 PolarHBondContact O-N 3.41Å; L36-I88 HydrophobicContact CD1-CG2 4.19Å; L36-F95 HydrophobicContact CD1-CD1 3.97Å; L36-F95 HydrophobicContact CD1-CE1 3.69Å; L36-F95 HydrophobicContact CD1-CZ 4.13Å; L36-I116 HydrophobicContact CB-CD1 3.71Å; L36-I116 HydrophobicContact CB-CG1 4.06Å; L36-I116 HydrophobicContact CB-CG2 4.06Å; L36-I116 HydrophobicContact CD1-CD1 4Å; L36-V119 HydrophobicContact CD2-CB 4.31Å; L36-V119 HydrophobicContact CD2-CG1 3.97Å; L36-V119 HydrophobicContact CD2-CG2 3.66Å
37	V	98.5	Very high	96.5	Very high	9 Å²	9	45.7 Å²	45.7	6%	0.055	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.4	-162.4	176.7	0	0	0	0	110.3	N35 K39 Q43 I44 I116 D117 T118 Y120	N35-V37 HydrophobicContact CB-CG2 3.73Å; V37-K39 HydrophobicContact CG1-CG 4.26Å; V37-Q43 WeakPolarHBondContact CA-O 3.01Å; V37-Q43 WeakPolarHBondContact CG1-O 3.46Å; V37-I44 HydrophobicContact CG2-CG1 4.24Å; V37-I116 WeakPolarHBondContact O-CA 3.41Å; V37-D117 PolarHBondContact O-N 2.69Å; V37-T118 PolarHBondContact N-O 2.81Å; V37-T118 PolarHBondContact O-N 3.05Å; V37-T118 VanDerWaalsContact O-N 3.16Å; V37-Y120 HydrophobicContact CB-CD2 4.47Å; V37-Y120 HydrophobicContact CB-CE2 4.24Å; V37-Y120 HydrophobicContact CG1-CE2 4.11Å; V37-Y120 HydrophobicContact CG2-CD2 3.65Å; V37-Y120 HydrophobicContact CG2-CE2 3.8Å
38	S	98	Very high	96.8	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.014	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	102.8	158.6	-176	0	0	0	0	108	A40 N41 K42 Q43 F115	S38-A40 VanDerWaalsContact C-N 3.35Å; S38-N41 WeakPolarHBondContact OG-CB 3.45Å; S38-N41 PolarHBondContact OG-ND2 3.26Å; S38-K42 WeakPolarHBondContact O-CA 3.36Å; S38-K42 PolarHBondContact O-N 2.89Å; S38-Q43 PolarHBondContact N-O 2.81Å; S38-Q43 PolarHBondContact O-N 3.01Å; S38-F115 VanDerWaalsContact CA-O 3.28Å; S38-F115 WeakPolarHBondContact CA-O 3.39Å; S38-F115 WeakPolarHBondContact CB-O 3.35Å; S38-F115 PolarHBondContact OG-O 3.29Å
39	K	95.6	Very high	97.1	Very high	98 Å²	98	34.6 Å²	34.6	43%	0.426	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-41.6	178.9	-80.7	179.6	177.2	140.5	0	111	V37 N41 K42 D117 T118 Y120	V37-K39 HydrophobicContact CG1-CG 4.26Å; K39-N41 VanDerWaalsContact C-N 3.29Å; K39-N41 PolarHBondContact O-N 2.79Å; K39-K42 PolarHBondContact O-N 3.17Å; K39-K42 VanDerWaalsContact O-N 3.13Å; K39-D117 WeakPolarHBondContact CB-OD1 3.33Å; K39-D117 WeakPolarHBondContact CG-OD1 3.47Å; K39-D117 VanDerWaalsContact N-CG 3.29Å; K39-D117 PolarHBondContact N-OD1 3.03Å; K39-D117 PolarHBondContact N-OD2 3.29Å; K39-T118 WeakPolarHBondContact CD-OG1 3.47Å; K39-T118 WeakPolarHBondContact CE-OG1 3.4Å; K39-T118 WeakPolarHBondContact CG-OG1 3.44Å; K39-T118 PolarHBondContact NZ-OG1 2.91Å; K39-Y120 WeakPolarHBondContact CE-OH 3.37Å
40	A	92.4	Very high	97.2	Very high	86 Å²	86	34.3 Å²	34.3	71%	0.711	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-45.1	179.4	0	0	0	0	0	111.4	S38 D117	S38-A40 VanDerWaalsContact C-N 3.35Å; A40-D117 PolarHBondContact N-OD2 3.29Å
41	N	95.8	Very high	97.4	Very high	76 Å²	76	30.8 Å²	30.8	41%	0.406	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-5.9	-179.6	-61.4	-42.6	0	0	0	113.6	S38 K39 Q43	S38-N41 WeakPolarHBondContact OG-CB 3.45Å; S38-N41 PolarHBondContact OG-ND2 3.26Å; K39-N41 VanDerWaalsContact C-N 3.29Å; K39-N41 PolarHBondContact O-N 2.79Å; N41-Q43 VanDerWaalsContact C-N 3.28Å; N41-Q43 HydrophobicContact CB-CB 4.45Å; N41-Q43 HydrophobicContact CB-CG 4Å; N41-Q43 WeakPolarHBondContact O-CG 3.26Å; N41-Q43 PolarHBondContact O-N 2.88Å
42	K	97.5	Very high	97.5	Very high	184 Å²	184	30.4 Å²	30.4	80%	0.8	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	41.9	-174	-55.6	176.8	-178.1	175.1	0	112.6	S38 K39	S38-K42 WeakPolarHBondContact O-CA 3.36Å; S38-K42 PolarHBondContact O-N 2.89Å; K39-K42 PolarHBondContact O-N 3.17Å; K39-K42 VanDerWaalsContact O-N 3.13Å
43	Q	98.4	Very high	97.4	Very high	13 Å²	13	38.9 Å²	38.9	6%	0.061	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	150.2	-176.1	-67.1	179.2	-3.1	0	0	111.7	V37 S38 N41 L45 K62 L63	V37-Q43 WeakPolarHBondContact CA-O 3.01Å; V37-Q43 WeakPolarHBondContact CG1-O 3.46Å; S38-Q43 PolarHBondContact N-O 2.81Å; S38-Q43 PolarHBondContact O-N 3.01Å; N41-Q43 VanDerWaalsContact C-N 3.28Å; N41-Q43 HydrophobicContact CB-CB 4.45Å; N41-Q43 HydrophobicContact CB-CG 4Å; N41-Q43 WeakPolarHBondContact O-CG 3.26Å; N41-Q43 PolarHBondContact O-N 2.88Å; Q43-L45 HydrophobicContact CB-CD1 3.73Å; Q43-K62 WeakPolarHBondContact CA-O 3.45Å; Q43-L63 HydrophobicContact CB-CD2 4.22Å; Q43-L63 HydrophobicContact CG-CD2 4.31Å
44	I	98.7	Very high	97.2	Very high	32 Å²	32	44.2 Å²	44.2	16%	0.164	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	106	167.2	-56.2	170.3	0	0	0	106.5	N35 V37 F46 H47 A61 K62 W67	N35-I44 HydrophobicContact CB-CG2 4.03Å; V37-I44 HydrophobicContact CG2-CG1 4.24Å; I44-F46 WeakPolarHBondContact CG2-O 3.38Å; I44-H47 HydrophobicContact CG2-CB 3.87Å; I44-A61 CarbonylContact O-C 3.45Å; I44-A61 VanDerWaalsContact O-CA 3.28Å; I44-A61 WeakPolarHBondContact O-CA 3.38Å; I44-A61 WeakPolarHBondContact O-CB 3.49Å; I44-K62 HydrophobicContact CB-CB 4.01Å; I44-K62 HydrophobicContact CD1-CB 4.28Å; I44-K62 HydrophobicContact CD1-CD 4.45Å; I44-K62 HydrophobicContact CG1-CB 4.33Å; I44-K62 PolarHBondContact N-O 2.87Å; I44-K62 PolarHBondContact O-N 2.92Å; I44-W67 HydrophobicContact CD1-CH2 3.85Å; I44-W67 HydrophobicContact CD1-CZ2 4.24Å
45	L	98.7	Very high	97.1	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-29.1	-176.1	-80.6	75.1	0	0	0	111.2	L36 Q43 A61 E111 T112 F115 I116	L36-L45 PolarHBondContact O-N 3.04Å; Q43-L45 HydrophobicContact CB-CD1 3.73Å; L45-A61 WeakPolarHBondContact O-CB 3.27Å; L45-E111 HydrophobicContact CD2-CB 4.04Å; L45-E111 HydrophobicContact CD2-CG 4.2Å; L45-E111 HydrophobicContact CG-CB 4.14Å; L45-T112 WeakPolarHBondContact CD2-O 3.44Å; L45-F115 HydrophobicContact CD2-CB 4.16Å; L45-I116 HydrophobicContact CB-CD1 4.21Å; L45-I116 HydrophobicContact CB-CG1 4.03Å; L45-I116 HydrophobicContact CD2-CG1 4.03Å; L45-I116 HydrophobicContact CG-CG1 4.47Å
46	F	98.9	Very high	97	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	119.3	169.7	-177.1	-129.2	0	0	0	111	N35 L36 I44 F48 R59 I88 F95 V97 F107	N35-F46 CarbonylContact C-O 3.57Å; N35-F46 WeakPolarHBondContact CA-O 3.41Å; L36-F46 HydrophobicContact CB-CB 4.08Å; L36-F46 HydrophobicContact CD1-CB 4.04Å; L36-F46 HydrophobicContact CD1-CD1 3.94Å; L36-F46 HydrophobicContact CD1-CG 4.48Å; L36-F46 HydrophobicContact CG-CB 4.04Å; L36-F46 HydrophobicContact CG-CD1 4.1Å; L36-F46 PolarHBondContact N-O 2.91Å; L36-F46 PolarHBondContact O-N 3.41Å; I44-F46 WeakPolarHBondContact CG2-O 3.38Å; F46-F48 HydrophobicContact CE1-CB 3.91Å; F46-F48 HydrophobicContact CE1-CD2 4.36Å; F46-F48 HydrophobicContact CZ-CB 4.01Å; F46-F48 AromaticContact CZ-CD2 3.96Å; F46-F48 HydrophobicContact CZ-CD2 3.96Å; F46-F48 HydrophobicContact CZ-CG 4.45Å; F46-R59 HydrophobicContact CE2-CB 3.91Å; F46-R59 HydrophobicContact CE2-CG 3.94Å; F46-R59 HydrophobicContact CZ-CG 4.17Å; F46-I88 HydrophobicContact CD1-CD1 4.24Å; F46-I88 HydrophobicContact CD1-CG2 4.09Å; F46-I88 HydrophobicContact CE1-CD1 3.89Å; F46-I88 HydrophobicContact CE1-CG1 4.26Å; F46-I88 HydrophobicContact CE1-CG2 3.88Å; F46-F95 HydrophobicContact CB-CD2 3.74Å; F46-F95 HydrophobicContact CB-CE2 3.68Å; F46-F95 HydrophobicContact CB-CG 4.44Å; F46-F95 HydrophobicContact CB-CZ 4.33Å; F46-F95 HydrophobicContact CD1-CB 4.38Å; F46-F95 HydrophobicContact CD1-CD2 4.24Å; F46-F95 HydrophobicContact CD1-CG 4.2Å; F46-F95 HydrophobicContact CD2-CD2 4.04Å; F46-F95 HydrophobicContact CE1-CB 4.34Å; F46-F95 AromaticContact CG-CD2 3.76Å; F46-F95 HydrophobicContact CG-CD2 3.76Å; F46-F95 HydrophobicContact CG-CE2 4.24Å; F46-F95 HydrophobicContact CG-CG 4.2Å; F46-F95 HydrophobicContact CZ-CB 4.5Å; F46-V97 HydrophobicContact CE1-CG2 3.98Å; F46-V97 HydrophobicContact CZ-CG2 3.76Å; F46-F107 HydrophobicContact CD2-CB 4.06Å; F46-F107 AromaticContact CD2-CD1 3.5Å; F46-F107 HydrophobicContact CD2-CD1 3.5Å; F46-F107 HydrophobicContact CD2-CD2 4.35Å; F46-F107 AromaticContact CD2-CE1 3.93Å; F46-F107 HydrophobicContact CD2-CE1 3.93Å; F46-F107 AromaticContact CD2-CG 3.71Å; F46-F107 HydrophobicContact CD2-CG 3.71Å; F46-F107 HydrophobicContact CE2-CB 3.54Å; F46-F107 AromaticContact CE2-CD1 3.88Å; F46-F107 HydrophobicContact CE2-CD1 3.88Å; F46-F107 HydrophobicContact CE2-CD2 4.11Å; F46-F107 AromaticContact CE2-CG 3.57Å; F46-F107 HydrophobicContact CE2-CG 3.57Å; F46-F107 HydrophobicContact CZ-CB 4.34Å
47	H	98.9	Very high	97	Very high	20 Å²	20	52.5 Å²	52.5	9%	0.093	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	114.5	173.6	176	70.1	0	0	0	108.6	I33 N35 I44 N49 R59 N60 W67	I33-H47 WeakPolarHBondContact CG2-CE1 3.49Å; N35-H47 PolarHBondContact OD1-ND1 3.38Å; I44-H47 HydrophobicContact CG2-CB 3.87Å; H47-N49 VanDerWaalsContact NE2-CB 3.33Å; H47-N49 WeakPolarHBondContact NE2-CB 3.49Å; H47-R59 WeakPolarHBondContact O-CA 3.32Å; H47-N60 WeakPolarHBondContact CB-O 3.3Å; H47-N60 PolarHBondContact N-O 2.84Å; H47-N60 PolarHBondContact O-N 3.32Å; H47-N60 VanDerWaalsContact O-N 3.09Å; H47-W67 HydrophobicContact CB-CH2 3.85Å; H47-W67 HydrophobicContact CB-CZ3 3.6Å; H47-W67 AromaticContact CD2-CH2 3.78Å; H47-W67 AromaticContact CD2-CZ3 3.83Å; H47-W67 AromaticContact CG-CH2 3.55Å; H47-W67 AromaticContact CG-CZ3 3.69Å; H47-W67 AromaticContact ND1-CH2 3.75Å
48	F	98.8	Very high	97	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	114.6	176.7	-178.6	-97.1	0	0	0	109.6	I33 I34 F46 P50 V57 R59 F78 I86 V97 F105	I33-F48 WeakPolarHBondContact CA-O 3.33Å; I34-F48 HydrophobicContact CB-CB 4.28Å; I34-F48 HydrophobicContact CD1-CD1 4.25Å; I34-F48 PolarHBondContact N-O 2.86Å; I34-F48 PolarHBondContact O-N 2.96Å; F46-F48 HydrophobicContact CE1-CB 3.91Å; F46-F48 HydrophobicContact CE1-CD2 4.36Å; F46-F48 HydrophobicContact CZ-CB 4.01Å; F46-F48 AromaticContact CZ-CD2 3.96Å; F46-F48 HydrophobicContact CZ-CD2 3.96Å; F46-F48 HydrophobicContact CZ-CG 4.45Å; F48-P50 HydrophobicContact CD1-CG 4.05Å; F48-P50 HydrophobicContact CE1-CG 3.46Å; F48-P50 VanDerWaalsContact CE1-CG 3.46Å; F48-P50 HydrophobicContact CZ-CG 4.06Å; F48-V57 HydrophobicContact CD2-CG1 3.87Å; F48-V57 HydrophobicContact CE1-CG1 4.29Å; F48-V57 HydrophobicContact CE2-CG1 3.32Å; F48-V57 HydrophobicContact CZ-CG1 3.56Å; F48-R59 HydrophobicContact CD2-CG 4.09Å; F48-F78 HydrophobicContact CE1-CE2 4.36Å; F48-F78 AromaticContact CE1-CZ 3.97Å; F48-F78 HydrophobicContact CE1-CZ 3.97Å; F48-F78 HydrophobicContact CZ-CE2 4.24Å; F48-F78 HydrophobicContact CZ-CZ 4.04Å; F48-I86 HydrophobicContact CE1-CD1 3.98Å; F48-I86 HydrophobicContact CE1-CG2 4.48Å; F48-V97 HydrophobicContact CD2-CG1 4.4Å; F48-V97 HydrophobicContact CD2-CG2 4.43Å; F48-V97 HydrophobicContact CE2-CB 4.49Å; F48-V97 HydrophobicContact CE2-CG1 3.79Å; F48-V97 HydrophobicContact CE2-CG2 4.43Å; F48-V97 HydrophobicContact CZ-CG1 4.12Å; F48-F105 AromaticContact CE2-CD2 3.76Å; F48-F105 HydrophobicContact CE2-CD2 3.76Å; F48-F105 HydrophobicContact CE2-CE2 4.02Å; F48-F105 HydrophobicContact CZ-CD2 4.38Å; F48-F105 HydrophobicContact CZ-CE2 4.25Å
49	N	98.4	Very high	97	Very high	18 Å²	18	53.3 Å²	53.3	10%	0.096	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	88.7	-171.9	174.8	-139.8	0	0	0	112.7	I33 H47 R51 Y58	I33-N49 HydrophobicContact CG1-CB 4.36Å; I33-N49 WeakPolarHBondContact CG1-ND2 3.28Å; H47-N49 VanDerWaalsContact NE2-CB 3.33Å; H47-N49 WeakPolarHBondContact NE2-CB 3.49Å; N49-R51 PolarHBondContact O-N 3.01Å; N49-R51 WeakPolarHBondContact OD1-CG 3.48Å; N49-R51 PolarHBondContact OD1-NE 3.19Å; N49-Y58 PolarHBondContact N-O 2.98Å; N49-Y58 PolarHBondContact O-N 3.33Å
50	P	97.6	Very high	97.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	116.7	161.9	-23.9	34.6	0	0	0	111.1	L32 F48 F52 V57 F76 F78	L32-P50 WeakPolarHBondContact O-CD 3.06Å; F48-P50 HydrophobicContact CD1-CG 4.05Å; F48-P50 HydrophobicContact CE1-CG 3.46Å; F48-P50 VanDerWaalsContact CE1-CG 3.46Å; F48-P50 HydrophobicContact CZ-CG 4.06Å; P50-F52 HydrophobicContact CB-CE2 4.06Å; P50-F52 HydrophobicContact CB-CZ 4.25Å; P50-V57 HydrophobicContact CB-CG2 4.28Å; P50-V57 HydrophobicContact CG-CG1 4.29Å; P50-V57 HydrophobicContact CG-CG2 4.31Å; P50-F76 HydrophobicContact CB-CE2 4.19Å; P50-F78 HydrophobicContact CB-CD2 3.95Å; P50-F78 HydrophobicContact CB-CE2 3.72Å; P50-F78 HydrophobicContact CG-CD2 4.08Å; P50-F78 HydrophobicContact CG-CE2 3.33Å; P50-F78 HydrophobicContact CG-CZ 3.79Å
51	R	95.8	Very high	97.5	Very high	67 Å²	67	44.8 Å²	44.8	25%	0.253	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	91.7	173.2	-62.5	-172.2	-173.4	156.8	-5.6	108.6	N49 L53 K54 K55 K56 Y58 E70	N49-R51 PolarHBondContact O-N 3.01Å; N49-R51 WeakPolarHBondContact OD1-CG 3.48Å; N49-R51 PolarHBondContact OD1-NE 3.19Å; R51-L53 VanDerWaalsContact C-N 3.34Å; R51-L53 PolarHBondContact O-N 2.81Å; R51-K54 HydrophobicContact CB-CB 4.21Å; R51-K54 CarbonylContact O-C 3.56Å; R51-K54 PolarHBondContact O-N 3.11Å; R51-K55 PolarHBondContact O-N 2.99Å; R51-K56 PolarHBondContact N-O 3.25Å; R51-K56 PolarHBondContact O-N 3.18Å; R51-Y58 HydrophobicContact CB-CD2 4.24Å; R51-Y58 HydrophobicContact CB-CE2 4.4Å; R51-Y58 VanDerWaalsContact CD-CD2 3.43Å; R51-Y58 HydrophobicContact CG-CD2 3.77Å; R51-Y58 HydrophobicContact CG-CE2 4.23Å; R51-Y58 VanDerWaalsContact NH1-CD1 3.27Å; R51-Y58 VanDerWaalsContact NH1-CZ 3.31Å; R51-E70 IonicContact CZ-OE1 2.69Å; R51-E70 IonicContact NH1-OE1 3.7Å; R51-E70 PolarHBondContact NH1-OE1 2.84Å; R51-E70 IonicContact NH1-OE2 2.77Å; R51-E70 IonicContact NH2-OE1 3.84Å; R51-E70 PolarHBondContact NH2-OE1 3.04Å
52	F	94.5	Very high	97.6	Very high	9 Å²	9	43.6 Å²	43.6	4%	0.039	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-56.3	-41.8	-171	-68.5	-92.5	0	0	0	113.8	M25 V29 L32 P50 K54 K55 F76 F78 T80	M25-F52 HydrophobicContact SD-CE1 3.71Å; M25-F52 HydrophobicContact SD-CZ 3.51Å; M25-F52 VanDerWaalsContact SD-CZ 3.51Å; V29-F52 HydrophobicContact CB-CE1 4.47Å; V29-F52 HydrophobicContact CG1-CD1 3.51Å; V29-F52 HydrophobicContact CG1-CD2 4.49Å; V29-F52 HydrophobicContact CG1-CE1 3.45Å; V29-F52 VanDerWaalsContact CG1-CE1 3.45Å; V29-F52 HydrophobicContact CG1-CE2 4.44Å; V29-F52 HydrophobicContact CG1-CG 4.07Å; V29-F52 HydrophobicContact CG1-CZ 3.95Å; V29-F52 HydrophobicContact CG2-CD2 4.24Å; V29-F52 HydrophobicContact CG2-CE1 4.18Å; V29-F52 HydrophobicContact CG2-CE2 3.81Å; V29-F52 HydrophobicContact CG2-CZ 3.78Å; V29-F52 WeakPolarHBondContact O-CB 3.38Å; V29-F52 WeakPolarHBondContact O-CG 3.41Å; L32-F52 HydrophobicContact CB-CE2 4Å; L32-F52 HydrophobicContact CB-CZ 4.29Å; P50-F52 HydrophobicContact CB-CE2 4.06Å; P50-F52 HydrophobicContact CB-CZ 4.25Å; F52-K54 VanDerWaalsContact C-N 3.3Å; F52-K54 PolarHBondContact O-N 3.37Å; F52-K55 VanDerWaalsContact O-CD 3.31Å; F52-K55 WeakPolarHBondContact O-CD 3.38Å; F52-K55 PolarHBondContact O-N 3.39Å; F52-K55 VanDerWaalsContact O-N 3.12Å; F52-F76 HydrophobicContact CB-CZ 4.48Å; F52-F76 HydrophobicContact CD1-CE1 4.09Å; F52-F76 AromaticContact CD1-CZ 3.58Å; F52-F76 HydrophobicContact CD1-CZ 3.58Å; F52-F76 HydrophobicContact CE1-CE1 4.45Å; F52-F76 AromaticContact CE1-CZ 3.92Å; F52-F76 HydrophobicContact CE1-CZ 3.92Å; F52-F76 HydrophobicContact CG-CZ 4.08Å; F52-F78 HydrophobicContact CE1-CB 4.03Å; F52-F78 HydrophobicContact CE1-CG 4.45Å; F52-T80 HydrophobicContact CD1-CG2 4.43Å
53	L	93.9	Very high	97.7	Very high	178 Å²	178	36.7 Å²	36.7	93%	0.932	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-63.8	-34.9	177.5	-176.3	62.5	0	0	0	112.8	R51 K55	R51-L53 VanDerWaalsContact C-N 3.34Å; R51-L53 PolarHBondContact O-N 2.81Å; L53-K55 VanDerWaalsContact C-N 3.33Å
54	K	95.1	Very high	97.6	Very high	126 Å²	126	42.4 Å²	42.4	55%	0.548	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-85.3	-8	177.4	-69.2	-172.2	174	-175.5	0	112.9	R51 F52 K56 Y58	R51-K54 HydrophobicContact CB-CB 4.21Å; R51-K54 CarbonylContact O-C 3.56Å; R51-K54 PolarHBondContact O-N 3.11Å; F52-K54 VanDerWaalsContact C-N 3.3Å; F52-K54 PolarHBondContact O-N 3.37Å; K54-K56 HydrophobicContact CB-CB 4.45Å; K54-K56 PolarHBondContact O-N 2.78Å; K54-Y58 HydrophobicContact CD-CE2 4.19Å
55	K	95.7	Very high	97.5	Very high	107 Å²	107	46.7 Å²	46.7	47%	0.465	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.3	50	-170.7	-61.8	-68.9	-178.2	178	0	111.2	R51 F52 L53 F76	R51-K55 PolarHBondContact O-N 2.99Å; F52-K55 VanDerWaalsContact O-CD 3.31Å; F52-K55 WeakPolarHBondContact O-CD 3.38Å; F52-K55 PolarHBondContact O-N 3.39Å; F52-K55 VanDerWaalsContact O-N 3.12Å; L53-K55 VanDerWaalsContact C-N 3.33Å; K55-F76 HydrophobicContact CB-CB 4.2Å; K55-F76 HydrophobicContact CB-CD1 4.37Å; K55-F76 HydrophobicContact CB-CG 4.11Å; K55-F76 HydrophobicContact CD-CD1 3.63Å; K55-F76 HydrophobicContact CD-CE1 3.77Å; K55-F76 HydrophobicContact CD-CG 4.23Å; K55-F76 HydrophobicContact CD-CZ 4.47Å; K55-F76 WeakPolarHBondContact O-CB 3.34Å
56	K	97.5	Very high	97.5	Very high	71 Å²	71	51.1 Å²	51.1	31%	0.309	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	145.6	178.2	-76.7	-62.4	-174.1	170.8	0	111.2	R51 K54 Y58 G74 F76	R51-K56 PolarHBondContact N-O 3.25Å; R51-K56 PolarHBondContact O-N 3.18Å; K54-K56 HydrophobicContact CB-CB 4.45Å; K54-K56 PolarHBondContact O-N 2.78Å; K56-Y58 HydrophobicContact CB-CD2 4.24Å; K56-Y58 HydrophobicContact CB-CE2 3.77Å; K56-G74 PolarHBondContact NZ-O 3.4Å; K56-F76 VanDerWaalsContact N-CD2 3.29Å
57	V	98.4	Very high	97.5	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.012	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	112.3	175	-177.7	0	0	0	0	108.8	F48 P50 R59 F76 P77 F78 F105	F48-V57 HydrophobicContact CD2-CG1 3.87Å; F48-V57 HydrophobicContact CE1-CG1 4.29Å; F48-V57 HydrophobicContact CE2-CG1 3.32Å; F48-V57 HydrophobicContact CZ-CG1 3.56Å; P50-V57 HydrophobicContact CB-CG2 4.28Å; P50-V57 HydrophobicContact CG-CG1 4.29Å; P50-V57 HydrophobicContact CG-CG2 4.31Å; V57-R59 PolarHBondContact O-NH1 2.84Å; V57-F76 HydrophobicContact CG2-CD2 3.99Å; V57-F76 HydrophobicContact CG2-CE2 4.21Å; V57-P77 HydrophobicContact CG2-CG 4.44Å; V57-F78 HydrophobicContact CG2-CD2 4.39Å; V57-F78 HydrophobicContact CG2-CE2 3.97Å; V57-F105 HydrophobicContact CB-CE1 4.2Å; V57-F105 HydrophobicContact CB-CE2 3.89Å; V57-F105 HydrophobicContact CB-CZ 3.59Å; V57-F105 HydrophobicContact CG1-CD2 4.36Å; V57-F105 HydrophobicContact CG1-CE2 3.85Å; V57-F105 HydrophobicContact CG1-CZ 4.07Å; V57-F105 HydrophobicContact CG2-CE2 3.87Å; V57-F105 HydrophobicContact CG2-CZ 3.61Å
58	Y	98.6	Very high	97.5	Very high	27 Å²	27	57.3 Å²	57.3	11%	0.106	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	134.6	177.4	-75.1	-102.2	0	0	0	109.6	N49 R51 K54 K56 E70 E71 F72	N49-Y58 PolarHBondContact N-O 2.98Å; N49-Y58 PolarHBondContact O-N 3.33Å; R51-Y58 HydrophobicContact CB-CD2 4.24Å; R51-Y58 HydrophobicContact CB-CE2 4.4Å; R51-Y58 VanDerWaalsContact CD-CD2 3.43Å; R51-Y58 HydrophobicContact CG-CD2 3.77Å; R51-Y58 HydrophobicContact CG-CE2 4.23Å; R51-Y58 VanDerWaalsContact NH1-CD1 3.27Å; R51-Y58 VanDerWaalsContact NH1-CZ 3.31Å; K54-Y58 HydrophobicContact CD-CE2 4.19Å; K56-Y58 HydrophobicContact CB-CD2 4.24Å; K56-Y58 HydrophobicContact CB-CE2 3.77Å; Y58-E70 HydrophobicContact CD1-CB 4.12Å; Y58-E70 HydrophobicContact CD1-CG 4.26Å; Y58-E70 WeakPolarHBondContact CD1-OE2 3.49Å; Y58-E70 WeakPolarHBondContact CE1-OE2 3.49Å; Y58-E71 CarbonylContact C-O 3.57Å; Y58-E71 WeakPolarHBondContact CA-O 3.4Å; Y58-F72 HydrophobicContact CD1-CB 3.89Å; Y58-F72 HydrophobicContact CD1-CD1 4.33Å; Y58-F72 HydrophobicContact CD1-CG 4.46Å; Y58-F72 HydrophobicContact CD2-CB 4.45Å; Y58-F72 HydrophobicContact CE1-CB 3.81Å; Y58-F72 AromaticContact CE1-CD1 3.91Å; Y58-F72 HydrophobicContact CE1-CD1 3.91Å; Y58-F72 HydrophobicContact CE1-CG 4.01Å; Y58-F72 HydrophobicContact CE2-CB 4.4Å; Y58-F72 HydrophobicContact CG-CB 4.22Å
59	R	98.8	Very high	97.4	Very high	2 Å²	2	65.8 Å²	65.8	1%	0.008	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141.3	172	-54.2	90.4	59.4	-164.9	-0.9	110.8	F46 H47 F48 V57 E71 D73 F107	F46-R59 HydrophobicContact CE2-CB 3.91Å; F46-R59 HydrophobicContact CE2-CG 3.94Å; F46-R59 HydrophobicContact CZ-CG 4.17Å; H47-R59 WeakPolarHBondContact O-CA 3.32Å; F48-R59 HydrophobicContact CD2-CG 4.09Å; V57-R59 PolarHBondContact O-NH1 2.84Å; R59-E71 PolarHBondContact N-O 2.84Å; R59-E71 IonicContact NH2-OE2 3.4Å; R59-E71 PolarHBondContact NH2-OE2 2.79Å; R59-E71 PolarHBondContact O-N 2.84Å; R59-D73 IonicContact CZ-OD1 3.4Å; R59-D73 PolarHBondContact NH1-O 2.9Å; R59-D73 IonicContact NH1-OD1 3.29Å; R59-D73 PolarHBondContact NH1-OD1 3.27Å; R59-D73 IonicContact NH2-OD1 3.36Å; R59-D73 PolarHBondContact NH2-OD1 3.22Å; R59-D73 IonicContact NH2-OD2 3.98Å; R59-F107 HydrophobicContact CB-CD2 3.66Å; R59-F107 HydrophobicContact CB-CE2 4.07Å; R59-F107 HydrophobicContact CB-CG 4.46Å
60	N	98.8	Very high	97.5	Very high	4 Å²	4	68.6 Å²	68.6	2%	0.021	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	177.4	178.9	-151.4	-17.5	0	0	0	111	H47 W67 G68 K69 F107 R110	H47-N60 WeakPolarHBondContact CB-O 3.3Å; H47-N60 PolarHBondContact N-O 2.84Å; H47-N60 PolarHBondContact O-N 3.32Å; H47-N60 VanDerWaalsContact O-N 3.09Å; N60-W67 HydrophobicContact CB-CE3 3.9Å; N60-W67 HydrophobicContact CB-CZ3 4.04Å; N60-G68 PolarHBondContact ND2-O 2.8Å; N60-G68 WeakPolarHBondContact OD1-CA 3.4Å; N60-G68 PolarHBondContact OD1-N 3.05Å; N60-G68 PolarHBondContact OD1-O 2.9Å; N60-K69 PolarHBondContact OD1-O 2.88Å; N60-F107 VanDerWaalsContact C-CZ 3.44Å; N60-R110 PolarHBondContact OD1-NH1 3.46Å
61	A	98.9	Very high	97.5	Very high	1 Å²	1	71 Å²	71	1%	0.008	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	150.1	164.2	0	0	0	0	0	109.1	I44 L45 L63 G68 F107 R110	I44-A61 CarbonylContact O-C 3.45Å; I44-A61 VanDerWaalsContact O-CA 3.28Å; I44-A61 WeakPolarHBondContact O-CA 3.38Å; I44-A61 WeakPolarHBondContact O-CB 3.49Å; L45-A61 WeakPolarHBondContact O-CB 3.27Å; A61-L63 HydrophobicContact CB-CD2 4.4Å; A61-L63 HydrophobicContact CB-CG 4.33Å; A61-G68 PolarHBondContact O-N 2.78Å; A61-F107 HydrophobicContact CB-CE1 4.46Å; A61-F107 HydrophobicContact CB-CZ 4.22Å; A61-R110 HydrophobicContact CB-CB 4.17Å; A61-R110 HydrophobicContact CB-CG 4.45Å
62	K	98.8	Very high	97.6	Very high	51 Å²	51	72.6 Å²	72.6	22%	0.222	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	99.4	173.5	-165.6	-176.1	-178.4	-169.4	0	109.1	Q43 I44 N65 T66 W67	Q43-K62 WeakPolarHBondContact CA-O 3.45Å; I44-K62 HydrophobicContact CB-CB 4.01Å; I44-K62 HydrophobicContact CD1-CB 4.28Å; I44-K62 HydrophobicContact CD1-CD 4.45Å; I44-K62 HydrophobicContact CG1-CB 4.33Å; I44-K62 PolarHBondContact N-O 2.87Å; I44-K62 PolarHBondContact O-N 2.92Å; K62-N65 VanDerWaalsContact CE-C 3.5Å; K62-N65 WeakPolarHBondContact CE-O 3.41Å; K62-N65 WeakPolarHBondContact CE-OD1 3.37Å; K62-N65 PolarHBondContact NZ-OD1 3.37Å; K62-T66 CarbonylContact C-O 3.5Å; K62-T66 WeakPolarHBondContact CA-O 3.42Å; K62-W67 HydrophobicContact CB-CD2 3.88Å; K62-W67 HydrophobicContact CB-CE3 3.71Å; K62-W67 HydrophobicContact CB-CH2 4.11Å; K62-W67 HydrophobicContact CB-CZ2 4.27Å; K62-W67 HydrophobicContact CB-CZ3 3.82Å; K62-W67 HydrophobicContact CD-CD2 4.21Å; K62-W67 HydrophobicContact CD-CZ2 4.01Å; K62-W67 HydrophobicContact CG-CD2 3.98Å; K62-W67 HydrophobicContact CG-CE3 4.32Å; K62-W67 HydrophobicContact CG-CG 4.25Å
63	L	98.5	Very high	97.8	Very high	38 Å²	38	77 Å²	77	20%	0.199	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	137	-177.9	-52.7	-178.7	0	0	0	109	Q43 A61 N65 T66 R110 E111	Q43-L63 HydrophobicContact CB-CD2 4.22Å; Q43-L63 HydrophobicContact CG-CD2 4.31Å; A61-L63 HydrophobicContact CB-CD2 4.4Å; A61-L63 HydrophobicContact CB-CG 4.33Å; L63-N65 PolarHBondContact O-N 2.9Å; L63-T66 PolarHBondContact N-O 2.87Å; L63-T66 PolarHBondContact O-N 3.19Å; L63-T66 VanDerWaalsContact O-O 3.08Å; L63-R110 HydrophobicContact CD1-CB 4.09Å; L63-R110 WeakPolarHBondContact CD1-O 3.45Å; L63-E111 HydrophobicContact CD1-CB 4.23Å; L63-E111 HydrophobicContact CD2-CB 3.99Å; L63-E111 HydrophobicContact CD2-CG 4.49Å
64	N	96.5	Very high	97.9	Very high	133 Å²	133	70.3 Å²	70.3	71%	0.711	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	46.3	-177.7	-59.3	-34	0	0	0	112.9	T66	N64-T66 PolarHBondContact O-N 2.86Å; N64-T66 PolarHBondContact O-OG1 2.87Å
65	N	96.5	Very high	98	Very high	122 Å²	122	68.4 Å²	68.4	65%	0.652	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	11.5	-175.9	-162.7	34.5	0	0	0	115.8	K62 L63	K62-N65 VanDerWaalsContact CE-C 3.5Å; K62-N65 WeakPolarHBondContact CE-O 3.41Å; K62-N65 WeakPolarHBondContact CE-OD1 3.37Å; K62-N65 PolarHBondContact NZ-OD1 3.37Å; L63-N65 PolarHBondContact O-N 2.9Å
66	T	98.4	Very high	98	Very high	97 Å²	97	65.1 Å²	65.1	60%	0.595	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.7	-178.2	-57.6	0	0	0	0	110.2	K62 L63 N64	K62-T66 CarbonylContact C-O 3.5Å; K62-T66 WeakPolarHBondContact CA-O 3.42Å; L63-T66 PolarHBondContact N-O 2.87Å; L63-T66 PolarHBondContact O-N 3.19Å; L63-T66 VanDerWaalsContact O-O 3.08Å; N64-T66 PolarHBondContact O-N 2.86Å; N64-T66 PolarHBondContact O-OG1 2.87Å
67	W	98.7	Very high	98	Very high	112 Å²	112	62.8 Å²	62.8	42%	0.424	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	135	171.9	-73.4	108.4	0	0	0	110	I44 H47 N60 K62	I44-W67 HydrophobicContact CD1-CH2 3.85Å; I44-W67 HydrophobicContact CD1-CZ2 4.24Å; H47-W67 HydrophobicContact CB-CH2 3.85Å; H47-W67 HydrophobicContact CB-CZ3 3.6Å; H47-W67 AromaticContact CD2-CH2 3.78Å; H47-W67 AromaticContact CD2-CZ3 3.83Å; H47-W67 AromaticContact CG-CH2 3.55Å; H47-W67 AromaticContact CG-CZ3 3.69Å; H47-W67 AromaticContact ND1-CH2 3.75Å; N60-W67 HydrophobicContact CB-CE3 3.9Å; N60-W67 HydrophobicContact CB-CZ3 4.04Å; K62-W67 HydrophobicContact CB-CD2 3.88Å; K62-W67 HydrophobicContact CB-CE3 3.71Å; K62-W67 HydrophobicContact CB-CH2 4.11Å; K62-W67 HydrophobicContact CB-CZ2 4.27Å; K62-W67 HydrophobicContact CB-CZ3 3.82Å; K62-W67 HydrophobicContact CD-CD2 4.21Å; K62-W67 HydrophobicContact CD-CZ2 4.01Å; K62-W67 HydrophobicContact CG-CD2 3.98Å; K62-W67 HydrophobicContact CG-CE3 4.32Å; K62-W67 HydrophobicContact CG-CG 4.25Å
68	G	98.7	Very high	97.9	Very high	38 Å²	38	63 Å²	63	39%	0.392	33%	0.327	S	S	.	.			trans	-75.7	-166.8	171.3	0	0	0	0	0	112.6	N60 A61 E70	N60-G68 PolarHBondContact ND2-O 2.8Å; N60-G68 WeakPolarHBondContact OD1-CA 3.4Å; N60-G68 PolarHBondContact OD1-N 3.05Å; N60-G68 PolarHBondContact OD1-O 2.9Å; A61-G68 PolarHBondContact O-N 2.78Å; G68-E70 PolarHBondContact O-N 2.8Å
69	K	98.5	Very high	97.6	Very high	179 Å²	179	65.5 Å²	65.5	78%	0.778	35%	0.348	S	S	*	.			trans	-68.1	129	172.9	-174.3	178.9	178	-176.3	0	110.3	N60 R110	N60-K69 PolarHBondContact OD1-O 2.88Å; K69-R110 VanDerWaalsContact O-CZ 3.31Å; K69-R110 PolarHBondContact O-NH1 3.3Å; K69-R110 PolarHBondContact O-NH2 2.83Å
70	E	98.6	Very high	97.1	Very high	77 Å²	77	67.8 Å²	67.8	36%	0.36	36%	0.362	S	S	.	.			trans	-68.7	140.2	173.8	-68	-173.9	134.9	0	0	111.2	R51 Y58 G68 F72	R51-E70 IonicContact CZ-OE1 2.69Å; R51-E70 IonicContact NH1-OE1 3.7Å; R51-E70 PolarHBondContact NH1-OE1 2.84Å; R51-E70 IonicContact NH1-OE2 2.77Å; R51-E70 IonicContact NH2-OE1 3.84Å; R51-E70 PolarHBondContact NH2-OE1 3.04Å; Y58-E70 HydrophobicContact CD1-CB 4.12Å; Y58-E70 HydrophobicContact CD1-CG 4.26Å; Y58-E70 WeakPolarHBondContact CD1-OE2 3.49Å; Y58-E70 WeakPolarHBondContact CE1-OE2 3.49Å; G68-E70 PolarHBondContact O-N 2.8Å; E70-F72 HydrophobicContact CB-CD1 4.42Å
71	E	98.7	Very high	96.9	Very high	49 Å²	49	70.9 Å²	70.9	23%	0.229	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-110.2	133.2	166.3	-65.8	168.8	-144.1	0	0	109.3	Y58 R59 F107 R110	Y58-E71 CarbonylContact C-O 3.57Å; Y58-E71 WeakPolarHBondContact CA-O 3.4Å; R59-E71 PolarHBondContact N-O 2.84Å; R59-E71 IonicContact NH2-OE2 3.4Å; R59-E71 PolarHBondContact NH2-OE2 2.79Å; R59-E71 PolarHBondContact O-N 2.84Å; E71-F107 WeakPolarHBondContact OE1-CD2 3.41Å; E71-F107 WeakPolarHBondContact OE1-CE2 3.39Å; E71-F107 WeakPolarHBondContact OE2-CD2 3.19Å; E71-R110 IonicContact OE1-CZ 2.71Å; E71-R110 IonicContact OE1-NH2 3.57Å; E71-R110 PolarHBondContact OE1-NH2 2.78Å
72	F	97.9	Very high	96.7	Very high	102 Å²	102	72.4 Å²	72.4	45%	0.447	40%	0.399	S	S	.	.			trans	-149.2	16.5	-174.1	57	-95.1	0	0	0	113.2	Y58 E70	Y58-F72 HydrophobicContact CD1-CB 3.89Å; Y58-F72 HydrophobicContact CD1-CD1 4.33Å; Y58-F72 HydrophobicContact CD1-CG 4.46Å; Y58-F72 HydrophobicContact CD2-CB 4.45Å; Y58-F72 HydrophobicContact CE1-CB 3.81Å; Y58-F72 AromaticContact CE1-CD1 3.91Å; Y58-F72 HydrophobicContact CE1-CD1 3.91Å; Y58-F72 HydrophobicContact CE1-CG 4.01Å; Y58-F72 HydrophobicContact CE2-CB 4.4Å; Y58-F72 HydrophobicContact CG-CB 4.22Å; E70-F72 HydrophobicContact CB-CD1 4.42Å
73	D	97.5	Very high	96.7	Very high	102 Å²	102	75 Å²	75	55%	0.545	42%	0.416	S	S	.	.			trans	-65.5	164.6	168.7	61.6	-62.6	0	0	0	111.6	R59	R59-D73 IonicContact CZ-OD1 3.4Å; R59-D73 PolarHBondContact NH1-O 2.9Å; R59-D73 IonicContact NH1-OD1 3.29Å; R59-D73 PolarHBondContact NH1-OD1 3.27Å; R59-D73 IonicContact NH2-OD1 3.36Å; R59-D73 PolarHBondContact NH2-OD1 3.22Å; R59-D73 IonicContact NH2-OD2 3.98Å
74	G	96.6	Very high	96.7	Very high	36 Å²	36	73.3 Å²	73.3	37%	0.371	41%	0.407	S	S	.	.	S	Bend	trans	93.8	172	-175.3	0	0	0	0	0	114.5	K56	K56-G74 PolarHBondContact NZ-O 3.4Å
75	D	96.6	Very high	96.7	Very high	86 Å²	86	69.6 Å²	69.6	46%	0.46	39%	0.389	S	S	.	.			trans	-79.8	167	173.7	64.5	-36.3	0	0	0	111.4	P77 K104	D75-P77 WeakPolarHBondContact O-CD 3.17Å; D75-K104 IonicContact OD1-NZ 3.51Å; D75-K104 IonicContact OD2-NZ 2.83Å; D75-K104 PolarHBondContact OD2-NZ 3.32Å
76	F	97.2	Very high	96.8	Very high	39 Å²	39	63.8 Å²	63.8	17%	0.171	36%	0.358	C	S	.	.			trans	-94.5	111.8	173.8	-170.3	-104.4	0	0	0	109.5	P50 F52 K55 K56 V57 F78	P50-F76 HydrophobicContact CB-CE2 4.19Å; F52-F76 HydrophobicContact CB-CZ 4.48Å; F52-F76 HydrophobicContact CD1-CE1 4.09Å; F52-F76 AromaticContact CD1-CZ 3.58Å; F52-F76 HydrophobicContact CD1-CZ 3.58Å; F52-F76 HydrophobicContact CE1-CE1 4.45Å; F52-F76 AromaticContact CE1-CZ 3.92Å; F52-F76 HydrophobicContact CE1-CZ 3.92Å; F52-F76 HydrophobicContact CG-CZ 4.08Å; K55-F76 HydrophobicContact CB-CB 4.2Å; K55-F76 HydrophobicContact CB-CD1 4.37Å; K55-F76 HydrophobicContact CB-CG 4.11Å; K55-F76 HydrophobicContact CD-CD1 3.63Å; K55-F76 HydrophobicContact CD-CE1 3.77Å; K55-F76 HydrophobicContact CD-CG 4.23Å; K55-F76 HydrophobicContact CD-CZ 4.47Å; K55-F76 WeakPolarHBondContact O-CB 3.34Å; K56-F76 VanDerWaalsContact N-CD2 3.29Å; V57-F76 HydrophobicContact CG2-CD2 3.99Å; V57-F76 HydrophobicContact CG2-CE2 4.21Å; F76-F78 HydrophobicContact CD1-CB 4.42Å; F76-F78 HydrophobicContact CE1-CB 3.73Å; F76-F78 HydrophobicContact CE1-CD2 4.38Å; F76-F78 VanDerWaalsContact CE1-O 3.32Å; F76-F78 WeakPolarHBondContact CE1-O 3.42Å; F76-F78 HydrophobicContact CE2-CD2 4.06Å; F76-F78 HydrophobicContact CZ-CB 3.97Å; F76-F78 AromaticContact CZ-CD2 3.94Å; F76-F78 HydrophobicContact CZ-CD2 3.94Å; F76-F78 HydrophobicContact CZ-CG 4.42Å
77	P	97	Very high	96.9	Very high	21 Å²	21	62.5 Å²	62.5	14%	0.136	35%	0.346	C	S	.	.			trans	-90.2	-4.5	-166.6	36.1	-38.2	0	0	0	114.4	V57 D75 V99 K104 F105	V57-P77 HydrophobicContact CG2-CG 4.44Å; D75-P77 WeakPolarHBondContact O-CD 3.17Å; P77-V99 HydrophobicContact CB-CB 3.96Å; P77-V99 HydrophobicContact CB-CG1 4.02Å; P77-V99 HydrophobicContact CB-CG2 4.29Å; P77-V99 HydrophobicContact CG-CB 4.01Å; P77-V99 HydrophobicContact CG-CG1 4.07Å; P77-V99 HydrophobicContact CG-CG2 3.78Å; P77-K104 HydrophobicContact CB-CD 3.77Å; P77-K104 HydrophobicContact CB-CG 3.8Å; P77-K104 HydrophobicContact CG-CD 4.5Å; P77-K104 HydrophobicContact CG-CG 4.18Å; P77-F105 HydrophobicContact CG-CE2 4.06Å; P77-F105 HydrophobicContact CG-CZ 4.19Å
78	F	96.2	Very high	96.9	Very high	8 Å²	8	57.2 Å²	57.2	4%	0.035	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-95	128	-173.4	-58.4	-78.5	0	0	0	111.7	M25 F48 P50 F52 V57 F76 F84 I86 V99	M25-F78 HydrophobicContact CE-CB 4.13Å; M25-F78 HydrophobicContact CE-CD1 3.87Å; M25-F78 HydrophobicContact CE-CG 4.39Å; M25-F78 HydrophobicContact SD-CD1 4.48Å; F48-F78 HydrophobicContact CE1-CE2 4.36Å; F48-F78 AromaticContact CE1-CZ 3.97Å; F48-F78 HydrophobicContact CE1-CZ 3.97Å; F48-F78 HydrophobicContact CZ-CE2 4.24Å; F48-F78 HydrophobicContact CZ-CZ 4.04Å; P50-F78 HydrophobicContact CB-CD2 3.95Å; P50-F78 HydrophobicContact CB-CE2 3.72Å; P50-F78 HydrophobicContact CG-CD2 4.08Å; P50-F78 HydrophobicContact CG-CE2 3.33Å; P50-F78 HydrophobicContact CG-CZ 3.79Å; F52-F78 HydrophobicContact CE1-CB 4.03Å; F52-F78 HydrophobicContact CE1-CG 4.45Å; V57-F78 HydrophobicContact CG2-CD2 4.39Å; V57-F78 HydrophobicContact CG2-CE2 3.97Å; F76-F78 HydrophobicContact CD1-CB 4.42Å; F76-F78 HydrophobicContact CE1-CB 3.73Å; F76-F78 HydrophobicContact CE1-CD2 4.38Å; F76-F78 VanDerWaalsContact CE1-O 3.32Å; F76-F78 WeakPolarHBondContact CE1-O 3.42Å; F76-F78 HydrophobicContact CE2-CD2 4.06Å; F76-F78 HydrophobicContact CZ-CB 3.97Å; F76-F78 AromaticContact CZ-CD2 3.94Å; F76-F78 HydrophobicContact CZ-CD2 3.94Å; F76-F78 HydrophobicContact CZ-CG 4.42Å; F78-F84 HydrophobicContact CD1-CB 4.43Å; F78-I86 HydrophobicContact CE1-CD1 3.8Å; F78-I86 HydrophobicContact CE1-CG1 3.9Å; F78-I86 HydrophobicContact CZ-CD1 3.81Å; F78-I86 HydrophobicContact CZ-CG1 4.05Å; F78-V99 HydrophobicContact CD1-CG1 3.9Å; F78-V99 HydrophobicContact CE1-CG1 3.51Å; F78-V99 HydrophobicContact CE1-CG2 4.25Å; F78-V99 HydrophobicContact CZ-CG1 3.96Å; F78-V99 HydrophobicContact CZ-CG2 3.87Å
79	S	91.8	Very high	96.9	Very high	78 Å²	78	56.8 Å²	56.8	55%	0.545	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-87.1	146.3	161.3	-58.8	0	0	0	0	109.1	M25 S82	M25-S79 WeakPolarHBondContact CE-O 3.15Å; S79-S82 PolarHBondContact O-OG 2.93Å; S79-S82 VanDerWaalsContact O-OG 3.05Å
80	T	89.6	Confident	96.9	Very high	50 Å²	50	48.3 Å²	48.3	31%	0.307	28%	0.279	S	S	.	.	S	Bend	trans	-89.2	162.9	173.5	56.9	0	0	0	0	109.8	E27 V29 F52 S82	E27-T80 VanDerWaalsContact O-CB 3.25Å; E27-T80 WeakPolarHBondContact O-CB 3.48Å; E27-T80 PolarHBondContact O-OG1 2.82Å; V29-T80 HydrophobicContact CG1-CG2 3.72Å; F52-T80 HydrophobicContact CD1-CG2 4.43Å; T80-S82 PolarHBondContact O-N 3.05Å
81	A	93.8	Very high	96.9	Very high	69 Å²	69	47.6 Å²	47.6	57%	0.57	28%	0.276	S	S	*	.	S	Bend	trans	55.2	35.6	-174.1	0	0	0	0	0	113.2	M25 A26 E27	M25-A81 CarbonylContact O-C 3.54Å; M25-A81 WeakPolarHBondContact O-CA 3.28Å; M25-A81 PolarHBondContact O-N 2.71Å; A26-A81 PolarHBondContact O-N 2.96Å; E27-A81 HydrophobicContact CB-CB 4.12Å
82	S	95.4	Very high	96.9	Very high	34 Å²	34	50.2 Å²	50.2	24%	0.238	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	162.9	-178.3	75.6	0	0	0	0	111.9	M25 S79 T80	M25-S82 PolarHBondContact N-O 2.77Å; M25-S82 PolarHBondContact O-N 2.86Å; S79-S82 PolarHBondContact O-OG 2.93Å; S79-S82 VanDerWaalsContact O-OG 3.05Å; T80-S82 PolarHBondContact O-N 3.05Å
83	N	97.5	Very high	96.9	Very high	106 Å²	106	52.1 Å²	52.1	57%	0.567	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	158.1	168.1	-58.9	22.1	0	0	0	109.3	G23	G23-N83 CarbonylContact O-C 3.51Å; G23-N83 VanDerWaalsContact O-CA 3.29Å; G23-N83 WeakPolarHBondContact O-CA 3.45Å
84	F	97.9	Very high	96.9	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.009	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	151.6	171.2	68.8	-86.5	0	0	0	110.8	V21 S22 G23 M25 L32 F78 I86 D100 I128 I130	V21-F84 HydrophobicContact CG1-CE2 4.15Å; S22-F84 VanDerWaalsContact CA-O 3.28Å; S22-F84 WeakPolarHBondContact CA-O 3.46Å; S22-F84 WeakPolarHBondContact CB-O 3.02Å; G23-F84 PolarHBondContact N-O 3.48Å; G23-F84 VanDerWaalsContact N-O 3.08Å; G23-F84 WeakPolarHBondContact O-CD1 3.11Å; G23-F84 PolarHBondContact O-N 3.31Å; M25-F84 HydrophobicContact CE-CB 3.81Å; M25-F84 HydrophobicContact CE-CD1 3.71Å; M25-F84 HydrophobicContact CE-CG 4.01Å; M25-F84 HydrophobicContact CG-CD1 3.59Å; M25-F84 HydrophobicContact CG-CE1 3.67Å; M25-F84 HydrophobicContact SD-CD1 3.9Å; M25-F84 HydrophobicContact SD-CE1 4.27Å; M25-F84 HydrophobicContact SD-CG 4.48Å; L32-F84 HydrophobicContact CD1-CZ 4.43Å; L32-F84 HydrophobicContact CD2-CD2 4.39Å; L32-F84 HydrophobicContact CD2-CE2 3.91Å; L32-F84 HydrophobicContact CD2-CZ 4.02Å; F78-F84 HydrophobicContact CD1-CB 4.43Å; F84-I86 HydrophobicContact CD2-CD1 3.86Å; F84-I86 HydrophobicContact CD2-CG1 4Å; F84-I86 HydrophobicContact CE2-CD1 3.98Å; F84-I86 HydrophobicContact CE2-CG1 4.5Å; F84-D100 WeakPolarHBondContact CA-OD1 3.34Å; F84-I128 HydrophobicContact CE1-CG2 4.29Å; F84-I128 HydrophobicContact CZ-CG2 4.42Å; F84-I130 HydrophobicContact CZ-CD1 3.98Å
85	T	98.4	Very high	97.1	Very high	54 Å²	54	45.6 Å²	45.6	33%	0.331	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	122.3	165.1	-60.9	0	0	0	0	109.1	L20 V99 D100	L20-T85 HydrophobicContact CD1-CG2 3.62Å; T85-V99 CarbonylContact O-C 3.56Å; T85-V99 WeakPolarHBondContact O-CA 3.17Å; T85-D100 PolarHBondContact N-OD1 2.82Å; T85-D100 PolarHBondContact O-N 3.3Å
86	I	98.8	Very high	97.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.8	174.1	-62.5	160.4	0	0	0	107.9	V21 L32 I34 F48 F78 F84 I88 V97 F98 V99	V21-I86 PolarHBondContact N-O 3.35Å; V21-I86 PolarHBondContact O-N 2.86Å; L32-I86 HydrophobicContact CD2-CD1 3.66Å; I34-I86 HydrophobicContact CD1-CB 4.19Å; I34-I86 HydrophobicContact CD1-CD1 3.77Å; I34-I86 HydrophobicContact CD1-CG2 3.87Å; F48-I86 HydrophobicContact CE1-CD1 3.98Å; F48-I86 HydrophobicContact CE1-CG2 4.48Å; F78-I86 HydrophobicContact CE1-CD1 3.8Å; F78-I86 HydrophobicContact CE1-CG1 3.9Å; F78-I86 HydrophobicContact CZ-CD1 3.81Å; F78-I86 HydrophobicContact CZ-CG1 4.05Å; F84-I86 HydrophobicContact CD2-CD1 3.86Å; F84-I86 HydrophobicContact CD2-CG1 4Å; F84-I86 HydrophobicContact CE2-CD1 3.98Å; F84-I86 HydrophobicContact CE2-CG1 4.5Å; I86-I88 HydrophobicContact CG2-CD1 4.49Å; I86-I88 HydrophobicContact CG2-CG1 4.08Å; I86-V97 HydrophobicContact CG2-CG1 4.05Å; I86-F98 WeakPolarHBondContact CA-O 3.43Å; I86-V99 HydrophobicContact CG1-CG2 4.35Å
87	M	98.7	Very high	97.2	Very high	71 Å²	71	44.6 Å²	44.6	35%	0.35	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.3	173.9	-171.9	-171.5	-59.3	0	0	109	V18 V19 L20 V89 V97 F98	V18-M87 HydrophobicContact CG1-CG 3.42Å; V18-M87 VanDerWaalsContact CG1-CG 3.42Å; V18-M87 HydrophobicContact CG1-SD 4.02Å; V19-M87 CarbonylContact O-C 3.57Å; V19-M87 WeakPolarHBondContact O-CA 3.37Å; L20-M87 HydrophobicContact CD1-CB 4.32Å; L20-M87 HydrophobicContact CD1-CE 4.34Å; M87-V89 HydrophobicContact CG-CG2 4.13Å; M87-V89 HydrophobicContact SD-CG2 4.13Å; M87-V97 WeakPolarHBondContact O-CA 3.21Å; M87-F98 HydrophobicContact CB-CB 4.27Å; M87-F98 PolarHBondContact N-O 3.28Å; M87-F98 PolarHBondContact O-N 3.25Å
88	I	98.8	Very high	97.3	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	111	177.3	-54.5	164.8	0	0	0	107.5	V18 V19 I34 L36 F46 I86 F95 V97	V18-I88 WeakPolarHBondContact CA-O 3.43Å; V19-I88 HydrophobicContact CB-CB 4.24Å; V19-I88 PolarHBondContact N-O 3.31Å; V19-I88 PolarHBondContact O-N 2.94Å; I34-I88 HydrophobicContact CB-CD1 4.43Å; I34-I88 HydrophobicContact CD1-CD1 4.32Å; I34-I88 HydrophobicContact CG2-CD1 3.86Å; L36-I88 HydrophobicContact CD1-CG2 4.19Å; F46-I88 HydrophobicContact CD1-CD1 4.24Å; F46-I88 HydrophobicContact CD1-CG2 4.09Å; F46-I88 HydrophobicContact CE1-CD1 3.89Å; F46-I88 HydrophobicContact CE1-CG1 4.26Å; F46-I88 HydrophobicContact CE1-CG2 3.88Å; I86-I88 HydrophobicContact CG2-CD1 4.49Å; I86-I88 HydrophobicContact CG2-CG1 4.08Å; I88-F95 HydrophobicContact CG2-CB 3.89Å; I88-F95 HydrophobicContact CG2-CD1 3.94Å; I88-F95 HydrophobicContact CG2-CG 4.19Å; I88-V97 HydrophobicContact CG1-CG1 4.34Å; I88-V97 HydrophobicContact CG1-CG2 4.27Å; I88-V97 HydrophobicContact CG2-CG2 4.42Å
89	V	98.8	Very high	97.4	Very high	29 Å²	29	45.7 Å²	45.7	18%	0.176	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122.2	-179.4	-176.4	0	0	0	0	109.1	V18 M87 Q91 F95 R96 F98	V18-V89 HydrophobicContact CG1-CG2 4.44Å; V18-V89 HydrophobicContact CG2-CG1 4.42Å; V18-V89 HydrophobicContact CG2-CG2 4.27Å; M87-V89 HydrophobicContact CG-CG2 4.13Å; M87-V89 HydrophobicContact SD-CG2 4.13Å; V89-Q91 HydrophobicContact CG1-CG 4.31Å; V89-Q91 PolarHBondContact O-N 2.78Å; V89-F95 WeakPolarHBondContact O-CA 3.41Å; V89-R96 PolarHBondContact N-O 2.84Å; V89-R96 PolarHBondContact O-N 2.83Å; V89-F98 HydrophobicContact CG2-CD2 4.22Å; V89-F98 HydrophobicContact CG2-CE2 3.9Å
90	C	98.8	Very high	97.7	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.007	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	113.1	171.7	-171.3	0	0	0	0	109.8	F13 T14 G16 S17 F95	F13-C90 HydrophobicContact CE1-CB 3.71Å; F13-C90 HydrophobicContact CZ-CB 3.86Å; T14-C90 WeakPolarHBondContact O-CB 3.38Å; G16-C90 PolarHBondContact N-O 2.9Å; S17-C90 PolarHBondContact O-N 3.16Å; C90-F95 HydrophobicContact CB-CD1 4.26Å; C90-F95 HydrophobicContact CB-CE1 4.1Å
91	Q	98.7	Very high	98	Very high	63 Å²	63	51.7 Å²	51.7	29%	0.294	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	167	172.5	-49.4	-167	-67.3	0	0	109.3	V89 E93 G94 R96 H109	V89-Q91 HydrophobicContact CG1-CG 4.31Å; V89-Q91 PolarHBondContact O-N 2.78Å; Q91-E93 PolarHBondContact O-N 3.09Å; Q91-G94 WeakPolarHBondContact CA-O 3.5Å; Q91-G94 WeakPolarHBondContact CB-O 3.28Å; Q91-G94 PolarHBondContact N-O 3.08Å; Q91-G94 PolarHBondContact O-N 2.89Å; Q91-R96 HydrophobicContact CG-CB 4.33Å; Q91-H109 PolarHBondContact O-NE2 2.94Å
92	T	98.3	Very high	98.2	Very high	103 Å²	103	50.1 Å²	50.1	63%	0.632	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-38.2	178.5	-53.3	0	0	0	0	112.9	H109	T92-H109 PolarHBondContact O-CD2 2.82Å
93	E	98.3	Very high	98.3	Very high	142 Å²	142	52.7 Å²	52.7	66%	0.664	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-16.7	-175.4	-59	-60.4	163.3	0	0	113.9	Q91 F106 A108 H109	Q91-E93 PolarHBondContact O-N 3.09Å; E93-F106 HydrophobicContact CB-CZ 3.83Å; E93-A108 WeakPolarHBondContact O-CA 3.33Å; E93-H109 VanDerWaalsContact C-CD2 3.48Å; E93-H109 PolarHBondContact O-N 2.98Å
94	G	98.7	Very high	98.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.1	-172.5	-172.2	0	0	0	0	0	115	Q91 F107 H109	Q91-G94 WeakPolarHBondContact CA-O 3.5Å; Q91-G94 WeakPolarHBondContact CB-O 3.28Å; Q91-G94 PolarHBondContact N-O 3.08Å; Q91-G94 PolarHBondContact O-N 2.89Å; G94-F107 CarbonylContact C-O 3.55Å; G94-F107 WeakPolarHBondContact CA-O 3.44Å; G94-H109 VanDerWaalsContact CA-CE1 3.49Å; G94-H109 WeakPolarHBondContact CA-CE1 3.37Å; G94-H109 WeakPolarHBondContact CA-NE2 3.41Å; G94-H109 PolarHBondContact N-CD2 3Å; G94-H109 PolarHBondContact N-NE2 3Å
95	F	98.9	Very high	98.4	Very high	2 Å²	2	51 Å²	51	1%	0.009	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	124.1	175.4	-57.9	-72.5	0	0	0	111	F13 L36 F46 I88 V89 C90 F106 F107 H109 A113 I116	F13-F95 AromaticContact CE1-CE1 3.97Å; F13-F95 HydrophobicContact CE1-CE1 3.97Å; F13-F95 HydrophobicContact CZ-CE1 4.13Å; L36-F95 HydrophobicContact CD1-CD1 3.97Å; L36-F95 HydrophobicContact CD1-CE1 3.69Å; L36-F95 HydrophobicContact CD1-CZ 4.13Å; F46-F95 HydrophobicContact CB-CD2 3.74Å; F46-F95 HydrophobicContact CB-CE2 3.68Å; F46-F95 HydrophobicContact CB-CG 4.44Å; F46-F95 HydrophobicContact CB-CZ 4.33Å; F46-F95 HydrophobicContact CD1-CB 4.38Å; F46-F95 HydrophobicContact CD1-CD2 4.24Å; F46-F95 HydrophobicContact CD1-CG 4.2Å; F46-F95 HydrophobicContact CD2-CD2 4.04Å; F46-F95 HydrophobicContact CE1-CB 4.34Å; F46-F95 AromaticContact CG-CD2 3.76Å; F46-F95 HydrophobicContact CG-CD2 3.76Å; F46-F95 HydrophobicContact CG-CE2 4.24Å; F46-F95 HydrophobicContact CG-CG 4.2Å; F46-F95 HydrophobicContact CZ-CB 4.5Å; I88-F95 HydrophobicContact CG2-CB 3.89Å; I88-F95 HydrophobicContact CG2-CD1 3.94Å; I88-F95 HydrophobicContact CG2-CG 4.19Å; V89-F95 WeakPolarHBondContact O-CA 3.41Å; C90-F95 HydrophobicContact CB-CD1 4.26Å; C90-F95 HydrophobicContact CB-CE1 4.1Å; F95-F106 CarbonylContact O-C 3.58Å; F95-F106 WeakPolarHBondContact O-CA 3.47Å; F95-F107 HydrophobicContact CD2-CD1 4.1Å; F95-F107 PolarHBondContact N-O 2.77Å; F95-F107 PolarHBondContact O-N 2.73Å; F95-H109 AromaticContact CD2-ND1 3.88Å; F95-H109 AromaticContact CE1-CE1 3.79Å; F95-H109 AromaticContact CE2-CE1 3.64Å; F95-H109 AromaticContact CE2-ND1 3.34Å; F95-H109 VanDerWaalsContact CE2-ND1 3.34Å; F95-H109 WeakPolarHBondContact CE2-ND1 3.39Å; F95-H109 AromaticContact CZ-CE1 3.49Å; F95-H109 VanDerWaalsContact CZ-CE1 3.49Å; F95-H109 WeakPolarHBondContact CZ-CE1 3.39Å; F95-H109 AromaticContact CZ-ND1 3.57Å; F95-A113 HydrophobicContact CZ-CB 4.22Å; F95-I116 HydrophobicContact CE1-CD1 3.92Å; F95-I116 HydrophobicContact CZ-CD1 3.51Å
96	R	98.8	Very high	98.4	Very high	104 Å²	104	52.2 Å²	52.2	39%	0.392	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	125	169.1	-173.4	175.6	-66.5	-122.7	-4.4	109.6	V89 Q91 F98 F106	V89-R96 PolarHBondContact N-O 2.84Å; V89-R96 PolarHBondContact O-N 2.83Å; Q91-R96 HydrophobicContact CG-CB 4.33Å; R96-F98 HydrophobicContact CB-CE2 4.3Å; R96-F98 HydrophobicContact CG-CD2 4.39Å; R96-F98 HydrophobicContact CG-CE2 3.64Å; R96-F98 HydrophobicContact CG-CZ 3.92Å; R96-F106 HydrophobicContact CB-CD2 4.39Å
97	V	98.9	Very high	98.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.2	-177	-171.6	0	0	0	0	110.5	F46 F48 I86 M87 I88 V99 K104 F105	F46-V97 HydrophobicContact CE1-CG2 3.98Å; F46-V97 HydrophobicContact CZ-CG2 3.76Å; F48-V97 HydrophobicContact CD2-CG1 4.4Å; F48-V97 HydrophobicContact CD2-CG2 4.43Å; F48-V97 HydrophobicContact CE2-CB 4.49Å; F48-V97 HydrophobicContact CE2-CG1 3.79Å; F48-V97 HydrophobicContact CE2-CG2 4.43Å; F48-V97 HydrophobicContact CZ-CG1 4.12Å; I86-V97 HydrophobicContact CG2-CG1 4.05Å; M87-V97 WeakPolarHBondContact O-CA 3.21Å; I88-V97 HydrophobicContact CG1-CG1 4.34Å; I88-V97 HydrophobicContact CG1-CG2 4.27Å; I88-V97 HydrophobicContact CG2-CG2 4.42Å; V97-V99 HydrophobicContact CG1-CG2 4.47Å; V97-K104 PolarHBondContact O-N 3.04Å; V97-F105 HydrophobicContact CB-CB 4.17Å; V97-F105 HydrophobicContact CB-CD2 4.25Å; V97-F105 HydrophobicContact CG1-CD2 4.36Å; V97-F105 HydrophobicContact CG2-CB 4.4Å; V97-F105 PolarHBondContact N-O 2.97Å; V97-F105 PolarHBondContact O-N 2.94Å
98	F	98.7	Very high	98.4	Very high	50 Å²	50	51.2 Å²	51.2	22%	0.219	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	140	169.9	-55.7	-103.7	0	0	0	109.2	I86 M87 V89 R96 A102 P103	I86-F98 WeakPolarHBondContact CA-O 3.43Å; M87-F98 HydrophobicContact CB-CB 4.27Å; M87-F98 PolarHBondContact N-O 3.28Å; M87-F98 PolarHBondContact O-N 3.25Å; V89-F98 HydrophobicContact CG2-CD2 4.22Å; V89-F98 HydrophobicContact CG2-CE2 3.9Å; R96-F98 HydrophobicContact CB-CE2 4.3Å; R96-F98 HydrophobicContact CG-CD2 4.39Å; R96-F98 HydrophobicContact CG-CE2 3.64Å; R96-F98 HydrophobicContact CG-CZ 3.92Å; F98-A102 CarbonylContact C-O 3.59Å; F98-A102 WeakPolarHBondContact CA-O 3.33Å; F98-P103 HydrophobicContact CD1-CB 3.91Å; F98-P103 HydrophobicContact CE1-CB 3.77Å
99	V	98.4	Very high	98.4	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.3	171.4	-178.2	0	0	0	0	107	P77 F78 T85 I86 V97 Q101 A102 K104	P77-V99 HydrophobicContact CB-CB 3.96Å; P77-V99 HydrophobicContact CB-CG1 4.02Å; P77-V99 HydrophobicContact CB-CG2 4.29Å; P77-V99 HydrophobicContact CG-CB 4.01Å; P77-V99 HydrophobicContact CG-CG1 4.07Å; P77-V99 HydrophobicContact CG-CG2 3.78Å; F78-V99 HydrophobicContact CD1-CG1 3.9Å; F78-V99 HydrophobicContact CE1-CG1 3.51Å; F78-V99 HydrophobicContact CE1-CG2 4.25Å; F78-V99 HydrophobicContact CZ-CG1 3.96Å; F78-V99 HydrophobicContact CZ-CG2 3.87Å; T85-V99 CarbonylContact O-C 3.56Å; T85-V99 WeakPolarHBondContact O-CA 3.17Å; I86-V99 HydrophobicContact CG1-CG2 4.35Å; V97-V99 HydrophobicContact CG1-CG2 4.47Å; V99-Q101 VanDerWaalsContact C-N 3.27Å; V99-Q101 PolarHBondContact O-N 2.98Å; V99-A102 PolarHBondContact N-O 2.82Å; V99-A102 WeakPolarHBondContact O-CB 3.16Å; V99-A102 PolarHBondContact O-N 2.98Å; V99-K104 HydrophobicContact CB-CG 4.12Å; V99-K104 HydrophobicContact CG2-CG 4.21Å
100	D	97.5	Very high	98.4	Very high	71 Å²	71	55.7 Å²	55.7	38%	0.38	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	50.2	-176.1	-57.6	-35.1	0	0	0	112	F84 T85 A102	F84-D100 WeakPolarHBondContact CA-OD1 3.34Å; T85-D100 PolarHBondContact N-OD1 2.82Å; T85-D100 PolarHBondContact O-N 3.3Å; D100-A102 PolarHBondContact O-N 2.78Å
101	Q	96.6	Very high	98.4	Very high	182 Å²	182	59 Å²	59	85%	0.85	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	-10.4	-177.9	-54.4	171.1	79.6	0	0	115.5	V99	V99-Q101 VanDerWaalsContact C-N 3.27Å; V99-Q101 PolarHBondContact O-N 2.98Å
102	A	98	Very high	98.3	Very high	36 Å²	36	59 Å²	59	30%	0.298	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	132.6	177	0	0	0	0	0	111.1	F98 V99 D100 K104	F98-A102 CarbonylContact C-O 3.59Å; F98-A102 WeakPolarHBondContact CA-O 3.33Å; V99-A102 PolarHBondContact N-O 2.82Å; V99-A102 WeakPolarHBondContact O-CB 3.16Å; V99-A102 PolarHBondContact O-N 2.98Å; D100-A102 PolarHBondContact O-N 2.78Å; A102-K104 PolarHBondContact O-N 2.94Å
103	P	97.8	Very high	98.3	Very high	88 Å²	88	54.1 Å²	54.1	57%	0.571	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	129.6	173.2	28.3	-33.1	0	0	0	110	F98	F98-P103 HydrophobicContact CD1-CB 3.91Å; F98-P103 HydrophobicContact CE1-CB 3.77Å
104	K	98.5	Very high	98.3	Very high	62 Å²	62	51.5 Å²	51.5	27%	0.27	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	-46.4	-174.5	-67	-62.2	179.7	175.9	0	114.7	D75 P77 V97 V99 A102	D75-K104 IonicContact OD1-NZ 3.51Å; D75-K104 IonicContact OD2-NZ 2.83Å; D75-K104 PolarHBondContact OD2-NZ 3.32Å; P77-K104 HydrophobicContact CB-CD 3.77Å; P77-K104 HydrophobicContact CB-CG 3.8Å; P77-K104 HydrophobicContact CG-CD 4.5Å; P77-K104 HydrophobicContact CG-CG 4.18Å; V97-K104 PolarHBondContact O-N 3.04Å; V99-K104 HydrophobicContact CB-CG 4.12Å; V99-K104 HydrophobicContact CG2-CG 4.21Å; A102-K104 PolarHBondContact O-N 2.94Å
105	F	98.6	Very high	98.2	Very high	10 Å²	10	55.8 Å²	55.8	4%	0.044	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	151.4	-172.4	-47.5	-71.9	0	0	0	111.6	F48 V57 P77 V97	F48-F105 AromaticContact CE2-CD2 3.76Å; F48-F105 HydrophobicContact CE2-CD2 3.76Å; F48-F105 HydrophobicContact CE2-CE2 4.02Å; F48-F105 HydrophobicContact CZ-CD2 4.38Å; F48-F105 HydrophobicContact CZ-CE2 4.25Å; V57-F105 HydrophobicContact CB-CE1 4.2Å; V57-F105 HydrophobicContact CB-CE2 3.89Å; V57-F105 HydrophobicContact CB-CZ 3.59Å; V57-F105 HydrophobicContact CG1-CD2 4.36Å; V57-F105 HydrophobicContact CG1-CE2 3.85Å; V57-F105 HydrophobicContact CG1-CZ 4.07Å; V57-F105 HydrophobicContact CG2-CE2 3.87Å; V57-F105 HydrophobicContact CG2-CZ 3.61Å; P77-F105 HydrophobicContact CG-CE2 4.06Å; P77-F105 HydrophobicContact CG-CZ 4.19Å; V97-F105 HydrophobicContact CB-CB 4.17Å; V97-F105 HydrophobicContact CB-CD2 4.25Å; V97-F105 HydrophobicContact CG1-CD2 4.36Å; V97-F105 HydrophobicContact CG2-CB 4.4Å; V97-F105 PolarHBondContact N-O 2.97Å; V97-F105 PolarHBondContact O-N 2.94Å
106	F	98.6	Very high	98.2	Very high	81 Å²	81	55.9 Å²	55.9	36%	0.355	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	137.8	164.1	-178.6	-99.8	0	0	0	107.8	E93 F95 R96 A108	E93-F106 HydrophobicContact CB-CZ 3.83Å; F95-F106 CarbonylContact O-C 3.58Å; F95-F106 WeakPolarHBondContact O-CA 3.47Å; R96-F106 HydrophobicContact CB-CD2 4.39Å; F106-A108 HydrophobicContact CE1-CB 4.24Å
107	F	98.8	Very high	98.2	Very high	1 Å²	1	53.1 Å²	53.1	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	112	177	-177.7	-92.8	0	0	0	108.4	F46 R59 N60 A61 E71 G94 F95 R110	F46-F107 HydrophobicContact CD2-CB 4.06Å; F46-F107 AromaticContact CD2-CD1 3.5Å; F46-F107 HydrophobicContact CD2-CD1 3.5Å; F46-F107 HydrophobicContact CD2-CD2 4.35Å; F46-F107 AromaticContact CD2-CE1 3.93Å; F46-F107 HydrophobicContact CD2-CE1 3.93Å; F46-F107 AromaticContact CD2-CG 3.71Å; F46-F107 HydrophobicContact CD2-CG 3.71Å; F46-F107 HydrophobicContact CE2-CB 3.54Å; F46-F107 AromaticContact CE2-CD1 3.88Å; F46-F107 HydrophobicContact CE2-CD1 3.88Å; F46-F107 HydrophobicContact CE2-CD2 4.11Å; F46-F107 AromaticContact CE2-CG 3.57Å; F46-F107 HydrophobicContact CE2-CG 3.57Å; F46-F107 HydrophobicContact CZ-CB 4.34Å; R59-F107 HydrophobicContact CB-CD2 3.66Å; R59-F107 HydrophobicContact CB-CE2 4.07Å; R59-F107 HydrophobicContact CB-CG 4.46Å; N60-F107 VanDerWaalsContact C-CZ 3.44Å; A61-F107 HydrophobicContact CB-CE1 4.46Å; A61-F107 HydrophobicContact CB-CZ 4.22Å; E71-F107 WeakPolarHBondContact OE1-CD2 3.41Å; E71-F107 WeakPolarHBondContact OE1-CE2 3.39Å; E71-F107 WeakPolarHBondContact OE2-CD2 3.19Å; G94-F107 CarbonylContact C-O 3.55Å; G94-F107 WeakPolarHBondContact CA-O 3.44Å; F95-F107 HydrophobicContact CD2-CD1 4.1Å; F95-F107 PolarHBondContact N-O 2.77Å; F95-F107 PolarHBondContact O-N 2.73Å; F107-R110 HydrophobicContact CE1-CG 4.11Å; F107-R110 HydrophobicContact CZ-CG 4.11Å; F107-R110 VanDerWaalsContact CZ-NE 3.25Å
108	A	98.8	Very high	98.1	Very high	49 Å²	49	53.2 Å²	53.2	41%	0.405	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	142.6	179.9	0	0	0	0	0	110.8	E93 F106 R110	E93-A108 WeakPolarHBondContact O-CA 3.33Å; F106-A108 HydrophobicContact CE1-CB 4.24Å; A108-R110 PolarHBondContact O-N 2.94Å
109	H	98.7	Very high	98.1	Very high	50 Å²	50	50.9 Å²	50.9	23%	0.231	26%	0.262	C	S	.	.			trans	-58.1	134.4	176.9	-71	-43.9	0	0	0	110.5	Q91 T92 E93 G94 F95	Q91-H109 PolarHBondContact O-NE2 2.94Å; T92-H109 PolarHBondContact O-CD2 2.82Å; E93-H109 VanDerWaalsContact C-CD2 3.48Å; E93-H109 PolarHBondContact O-N 2.98Å; G94-H109 VanDerWaalsContact CA-CE1 3.49Å; G94-H109 WeakPolarHBondContact CA-CE1 3.37Å; G94-H109 WeakPolarHBondContact CA-NE2 3.41Å; G94-H109 PolarHBondContact N-CD2 3Å; G94-H109 PolarHBondContact N-NE2 3Å; F95-H109 AromaticContact CD2-ND1 3.88Å; F95-H109 AromaticContact CE1-CE1 3.79Å; F95-H109 AromaticContact CE2-CE1 3.64Å; F95-H109 AromaticContact CE2-ND1 3.34Å; F95-H109 VanDerWaalsContact CE2-ND1 3.34Å; F95-H109 WeakPolarHBondContact CE2-ND1 3.39Å; F95-H109 AromaticContact CZ-CE1 3.49Å; F95-H109 VanDerWaalsContact CZ-CE1 3.49Å; F95-H109 WeakPolarHBondContact CZ-CE1 3.39Å; F95-H109 AromaticContact CZ-ND1 3.57Å
110	R	98.6	Very high	98.1	Very high	73 Å²	73	52.4 Å²	52.4	28%	0.275	27%	0.268	S	S	.	.	S	Bend	trans	-108.1	-8.1	173.9	-61.3	-171.2	-175.3	177.3	2.9	112.9	N60 A61 L63 K69 E71 F107 A108	N60-R110 PolarHBondContact OD1-NH1 3.46Å; A61-R110 HydrophobicContact CB-CB 4.17Å; A61-R110 HydrophobicContact CB-CG 4.45Å; L63-R110 HydrophobicContact CD1-CB 4.09Å; L63-R110 WeakPolarHBondContact CD1-O 3.45Å; K69-R110 VanDerWaalsContact O-CZ 3.31Å; K69-R110 PolarHBondContact O-NH1 3.3Å; K69-R110 PolarHBondContact O-NH2 2.83Å; E71-R110 IonicContact OE1-CZ 2.71Å; E71-R110 IonicContact OE1-NH2 3.57Å; E71-R110 PolarHBondContact OE1-NH2 2.78Å; F107-R110 HydrophobicContact CE1-CG 4.11Å; F107-R110 HydrophobicContact CZ-CG 4.11Å; F107-R110 VanDerWaalsContact CZ-NE 3.25Å; A108-R110 PolarHBondContact O-N 2.94Å
111	E	97.9	Very high	98.2	Very high	71 Å²	71	49 Å²	49	33%	0.332	25%	0.25	S	C	.	.	S	Bend	trans	-158.2	164.4	176.5	-170.8	56.2	-82	0	0	108.2	L45 L63 A113 F115	L45-E111 HydrophobicContact CD2-CB 4.04Å; L45-E111 HydrophobicContact CD2-CG 4.2Å; L45-E111 HydrophobicContact CG-CB 4.14Å; L63-E111 HydrophobicContact CD1-CB 4.23Å; L63-E111 HydrophobicContact CD2-CB 3.99Å; L63-E111 HydrophobicContact CD2-CG 4.49Å; E111-A113 PolarHBondContact O-N 2.93Å; E111-A113 VanDerWaalsContact O-N 3.17Å; E111-F115 HydrophobicContact CG-CD2 4.13Å
112	T	97.6	Very high	98.3	Very high	61 Å²	61	41.9 Å²	41.9	37%	0.374	22%	0.216	S	C	.	.			trans	-54.7	115.8	176.4	-60	0	0	0	0	112.2	L45 E114 F115	L45-T112 WeakPolarHBondContact CD2-O 3.44Å; T112-E114 HydrophobicContact CG2-CB 3.99Å; T112-E114 WeakPolarHBondContact CG2-OE2 3.32Å; T112-E114 PolarHBondContact O-N 3.26Å; T112-F115 HydrophobicContact CG2-CD1 4.48Å; T112-F115 HydrophobicContact CG2-CD2 4.46Å; T112-F115 HydrophobicContact CG2-CE1 4.4Å; T112-F115 HydrophobicContact CG2-CE2 4.39Å; T112-F115 HydrophobicContact CG2-CZ 4.36Å; T112-F115 WeakPolarHBondContact O-CB 3.22Å; T112-F115 PolarHBondContact O-N 2.89Å; T112-F115 VanDerWaalsContact O-N 3.17Å
113	A	97.9	Very high	98.2	Very high	2 Å²	2	40.1 Å²	40.1	2%	0.017	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-63.7	-29.1	-176.4	0	0	0	0	0	113.1	F13 F95 E111 F115 I116	F13-A113 WeakPolarHBondContact CD1-O 3.24Å; F95-A113 HydrophobicContact CZ-CB 4.22Å; E111-A113 PolarHBondContact O-N 2.93Å; E111-A113 VanDerWaalsContact O-N 3.17Å; A113-F115 PolarHBondContact O-N 3.43Å; A113-I116 WeakPolarHBondContact O-CB 3.12Å; A113-I116 WeakPolarHBondContact O-CD1 3.44Å; A113-I116 WeakPolarHBondContact O-CG1 3.4Å; A113-I116 PolarHBondContact O-N 3.36Å
114	E	97.5	Very high	98	Very high	86 Å²	86	37 Å²	37	40%	0.402	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-62.2	-12.5	177.2	-68.1	69.8	-162	0	0	113.7	F13 T14 T112 I116	F13-E114 WeakPolarHBondContact O-CA 3.35Å; T14-E114 PolarHBondContact OG1-OE1 2.93Å; T112-E114 HydrophobicContact CG2-CB 3.99Å; T112-E114 WeakPolarHBondContact CG2-OE2 3.32Å; T112-E114 PolarHBondContact O-N 3.26Å; E114-I116 VanDerWaalsContact C-N 3.28Å
115	F	97.6	Very high	97.8	Very high	91 Å²	91	38.2 Å²	38.2	40%	0.399	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-78.9	-9	171.9	-63.3	-26	0	0	0	113.9	S38 L45 E111 T112 A113 D117	S38-F115 VanDerWaalsContact CA-O 3.28Å; S38-F115 WeakPolarHBondContact CA-O 3.39Å; S38-F115 WeakPolarHBondContact CB-O 3.35Å; S38-F115 PolarHBondContact OG-O 3.29Å; L45-F115 HydrophobicContact CD2-CB 4.16Å; E111-F115 HydrophobicContact CG-CD2 4.13Å; T112-F115 HydrophobicContact CG2-CD1 4.48Å; T112-F115 HydrophobicContact CG2-CD2 4.46Å; T112-F115 HydrophobicContact CG2-CE1 4.4Å; T112-F115 HydrophobicContact CG2-CE2 4.39Å; T112-F115 HydrophobicContact CG2-CZ 4.36Å; T112-F115 WeakPolarHBondContact O-CB 3.22Å; T112-F115 PolarHBondContact O-N 2.89Å; T112-F115 VanDerWaalsContact O-N 3.17Å; A113-F115 PolarHBondContact O-N 3.43Å; F115-D117 PolarHBondContact O-N 2.83Å
116	I	98.5	Very high	97.6	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	23%	0.229	C	C	.	.			trans	-66.9	121	175.1	-68	163	0	0	0	108.7	A10 F13 L36 V37 L45 F95 A113 E114	A10-I116 HydrophobicContact CB-CG2 4.1Å; F13-I116 HydrophobicContact CB-CB 4.16Å; F13-I116 HydrophobicContact CB-CG2 4.34Å; F13-I116 VanDerWaalsContact CB-O 3.27Å; F13-I116 WeakPolarHBondContact CB-O 3.2Å; F13-I116 HydrophobicContact CD1-CB 3.79Å; F13-I116 HydrophobicContact CD1-CD1 3.88Å; F13-I116 HydrophobicContact CD1-CG1 4.38Å; F13-I116 HydrophobicContact CD1-CG2 4.17Å; F13-I116 HydrophobicContact CD2-CG2 4.04Å; F13-I116 HydrophobicContact CE1-CB 4.31Å; F13-I116 HydrophobicContact CE1-CD1 3.57Å; F13-I116 HydrophobicContact CE2-CG2 4.38Å; F13-I116 HydrophobicContact CG-CB 3.89Å; F13-I116 HydrophobicContact CG-CG2 3.91Å; F13-I116 HydrophobicContact CZ-CD1 4.15Å; L36-I116 HydrophobicContact CB-CD1 3.71Å; L36-I116 HydrophobicContact CB-CG1 4.06Å; L36-I116 HydrophobicContact CB-CG2 4.06Å; L36-I116 HydrophobicContact CD1-CD1 4Å; V37-I116 WeakPolarHBondContact O-CA 3.41Å; L45-I116 HydrophobicContact CB-CD1 4.21Å; L45-I116 HydrophobicContact CB-CG1 4.03Å; L45-I116 HydrophobicContact CD2-CG1 4.03Å; L45-I116 HydrophobicContact CG-CG1 4.47Å; F95-I116 HydrophobicContact CE1-CD1 3.92Å; F95-I116 HydrophobicContact CZ-CD1 3.51Å; A113-I116 WeakPolarHBondContact O-CB 3.12Å; A113-I116 WeakPolarHBondContact O-CD1 3.44Å; A113-I116 WeakPolarHBondContact O-CG1 3.4Å; A113-I116 PolarHBondContact O-N 3.36Å; E114-I116 VanDerWaalsContact C-N 3.28Å
117	D	97.8	Very high	97.3	Very high	46 Å²	46	39.1 Å²	39.1	25%	0.246	21%	0.214	C	C	.	.			trans	-123.1	-9	179.5	61	35.2	0	0	0	112.4	A10 V37 K39 A40 F115	A10-D117 PolarHBondContact N-O 3.27Å; V37-D117 PolarHBondContact O-N 2.69Å; K39-D117 WeakPolarHBondContact CB-OD1 3.33Å; K39-D117 WeakPolarHBondContact CG-OD1 3.47Å; K39-D117 VanDerWaalsContact N-CG 3.29Å; K39-D117 PolarHBondContact N-OD1 3.03Å; K39-D117 PolarHBondContact N-OD2 3.29Å; A40-D117 PolarHBondContact N-OD2 3.29Å; F115-D117 PolarHBondContact O-N 2.83Å
118	T	98.3	Very high	97.2	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	140.2	-174.4	-54	0	0	0	0	111.6	V7 I8 V37 K39 Y120	V7-T118 HydrophobicContact CG1-CG2 3.92Å; I8-T118 WeakPolarHBondContact O-CA 3.41Å; V37-T118 PolarHBondContact N-O 2.81Å; V37-T118 PolarHBondContact O-N 3.05Å; V37-T118 VanDerWaalsContact O-N 3.16Å; K39-T118 WeakPolarHBondContact CD-OG1 3.47Å; K39-T118 WeakPolarHBondContact CE-OG1 3.4Å; K39-T118 WeakPolarHBondContact CG-OG1 3.44Å; K39-T118 PolarHBondContact NZ-OG1 2.91Å; T118-Y120 HydrophobicContact CG2-CD1 3.79Å; T118-Y120 HydrophobicContact CG2-CE1 3.38Å; T118-Y120 HydrophobicContact CG2-CE2 4.46Å; T118-Y120 HydrophobicContact CG2-CG 4.5Å
119	V	98.6	Very high	97.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	129.7	165.1	-176	0	0	0	0	109.5	V7 I8 A10 V19 I34 N35 L36 V135	V7-V119 WeakPolarHBondContact CA-O 3.38Å; I8-V119 HydrophobicContact CG2-CB 3.64Å; I8-V119 HydrophobicContact CG2-CG1 4.46Å; I8-V119 HydrophobicContact CG2-CG2 4.14Å; I8-V119 PolarHBondContact N-O 3.3Å; I8-V119 VanDerWaalsContact N-O 3.09Å; I8-V119 PolarHBondContact O-N 3.47Å; A10-V119 HydrophobicContact CB-CG2 4.4Å; V19-V119 HydrophobicContact CG1-CG1 3.93Å; V19-V119 HydrophobicContact CG1-CG2 4.1Å; V19-V119 HydrophobicContact CG2-CG2 4.03Å; I34-V119 HydrophobicContact CG2-CG1 3.99Å; N35-V119 WeakPolarHBondContact O-CA 3.29Å; L36-V119 HydrophobicContact CD2-CB 4.31Å; L36-V119 HydrophobicContact CD2-CG1 3.97Å; L36-V119 HydrophobicContact CD2-CG2 3.66Å; V119-V135 HydrophobicContact CG2-CG2 3.8Å
120	Y	98.4	Very high	97	Very high	35 Å²	35	40.3 Å²	40.3	14%	0.137	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.4	166.8	-58.3	-46.3	0	0	0	110.2	V7 I34 N35 V37 K39 T118	V7-Y120 HydrophobicContact CB-CD1 4.25Å; V7-Y120 HydrophobicContact CB-CE1 4.41Å; V7-Y120 HydrophobicContact CG1-CD1 3.75Å; V7-Y120 HydrophobicContact CG1-CE1 3.55Å; V7-Y120 HydrophobicContact CG2-CD1 3.87Å; V7-Y120 HydrophobicContact CG2-CE1 4.12Å; I34-Y120 CarbonylContact C-O 3.59Å; I34-Y120 WeakPolarHBondContact CA-O 3.32Å; N35-Y120 HydrophobicContact CB-CD2 4.44Å; N35-Y120 PolarHBondContact N-O 2.9Å; N35-Y120 PolarHBondContact O-N 3.23Å; V37-Y120 HydrophobicContact CB-CD2 4.47Å; V37-Y120 HydrophobicContact CB-CE2 4.24Å; V37-Y120 HydrophobicContact CG1-CE2 4.11Å; V37-Y120 HydrophobicContact CG2-CD2 3.65Å; V37-Y120 HydrophobicContact CG2-CE2 3.8Å; K39-Y120 WeakPolarHBondContact CE-OH 3.37Å; T118-Y120 HydrophobicContact CG2-CD1 3.79Å; T118-Y120 HydrophobicContact CG2-CE1 3.38Å; T118-Y120 HydrophobicContact CG2-CE2 4.46Å; T118-Y120 HydrophobicContact CG2-CG 4.5Å
121	V	98.5	Very high	97	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	121.5	164.9	-173.4	0	0	0	0	107.5	L5 A6 V21 L32 I33 I130 V133	L5-V121 PolarHBondContact N-O 3.48Å; A6-V121 HydrophobicContact CB-CB 4.09Å; A6-V121 HydrophobicContact CB-CG2 4.32Å; A6-V121 PolarHBondContact N-O 2.96Å; A6-V121 VanDerWaalsContact N-O 3.11Å; A6-V121 PolarHBondContact O-N 3.15Å; V21-V121 HydrophobicContact CG1-CG1 4.15Å; V21-V121 HydrophobicContact CG1-CG2 4.04Å; V21-V121 HydrophobicContact CG2-CG2 3.91Å; L32-V121 HydrophobicContact CD1-CG1 4.04Å; I33-V121 CarbonylContact O-C 3.54Å; I33-V121 WeakPolarHBondContact O-CA 3.46Å; V121-I130 HydrophobicContact CG1-CD1 3.76Å; V121-I130 HydrophobicContact CG1-CG1 4.13Å; V121-V133 HydrophobicContact CG2-CG1 4.07Å; V121-V133 HydrophobicContact CG2-CG2 3.96Å
122	E	98.3	Very high	97	Very high	31 Å²	31	40.6 Å²	40.6	15%	0.145	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	146.8	-177.4	-52.6	-179.8	168.3	0	0	109.8	Q2 A3 R4 L32 I33	Q2-E122 PolarHBondContact NE2-OE2 3.42Å; A3-E122 CarbonylContact O-C 3.57Å; A3-E122 WeakPolarHBondContact O-CA 3.48Å; A3-E122 WeakPolarHBondContact O-CB 3.41Å; R4-E122 HydrophobicContact CB-CG 4.5Å; R4-E122 HydrophobicContact CG-CG 4.43Å; R4-E122 IonicContact CZ-OE1 3.68Å; R4-E122 IonicContact NE-OE1 3.37Å; R4-E122 PolarHBondContact NE-OE1 3.49Å; R4-E122 IonicContact NH2-OE1 3.04Å; R4-E122 PolarHBondContact NH2-OE1 3.19Å; L32-E122 CarbonylContact C-O 3.49Å; I33-E122 HydrophobicContact CB-CB 4.23Å; I33-E122 PolarHBondContact N-O 3.47Å; I33-E122 PolarHBondContact O-N 2.87Å
123	G	96.3	Very high	97	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.3	-164	-176	0	0	0	0	0	110	Q2 A3 S31	Q2-G123 CarbonylContact C-O 3.59Å; Q2-G123 WeakPolarHBondContact CA-O 3.16Å; A3-G123 PolarHBondContact N-O 2.97Å; A3-G123 PolarHBondContact O-N 2.77Å; A3-G123 VanDerWaalsContact O-O 3.07Å; S31-G123 WeakPolarHBondContact O-CA 3.02Å
124	N	95.2	Very high	97	Very high	22 Å²	22	39 Å²	39	12%	0.118	22%	0.217	C	C	.	.			trans	-114.4	119.5	177.5	176.8	31.6	0	0	0	108.6	M1 S126 D127 I128	M1-N124 PolarHBondContact N-OD1 3.4Å; M1-N124 PolarHBondContact O-OD1 2.9Å; N124-S126 PolarHBondContact O-N 3.3Å; N124-D127 WeakPolarHBondContact CB-OD1 3.11Å; N124-D127 WeakPolarHBondContact CB-OD2 3.41Å; N124-D127 PolarHBondContact ND2-OD2 3.2Å; N124-D127 PolarHBondContact O-N 2.71Å; N124-I128 PolarHBondContact O-N 3.19Å
125	S	92.9	Very high	97	Very high	88 Å²	88	36.7 Å²	36.7	62%	0.615	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-12	-175.3	54.4	0	0	0	0	113.8
126	S	93.8	Very high	96.9	Very high	104 Å²	104	40.9 Å²	40.9	73%	0.727	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-19.7	171.5	-50.6	0	0	0	0	113.6	N124	N124-S126 PolarHBondContact O-N 3.3Å
127	D	94.2	Very high	96.9	Very high	6 Å²	6	42.7 Å²	42.7	3%	0.032	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-7.1	-173.9	62.4	39.7	0	0	0	114.7	A26 N124	A26-D127 HydrophobicContact CB-CB 4.18Å; A26-D127 WeakPolarHBondContact CB-O 3.42Å; A26-D127 PolarHBondContact N-O 3.4Å; N124-D127 WeakPolarHBondContact CB-OD1 3.11Å; N124-D127 WeakPolarHBondContact CB-OD2 3.41Å; N124-D127 PolarHBondContact ND2-OD2 3.2Å; N124-D127 PolarHBondContact O-N 2.71Å
128	I	95.9	Very high	96.8	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	133.9	173.4	-62.4	-173.2	0	0	0	111.1	L5 E24 M25 V29 S31 L32 F84 N124 I130	L5-I128 HydrophobicContact CD1-CB 4.15Å; L5-I128 HydrophobicContact CD1-CG2 4.03Å; E24-I128 WeakPolarHBondContact O-CA 3.32Å; M25-I128 HydrophobicContact CG-CD1 4.3Å; M25-I128 HydrophobicContact CG-CG1 4.13Å; V29-I128 HydrophobicContact CG2-CD1 3.55Å; V29-I128 HydrophobicContact CG2-CG1 3.52Å; S31-I128 WeakPolarHBondContact O-CD1 3.36Å; L32-I128 HydrophobicContact CB-CD1 3.69Å; L32-I128 HydrophobicContact CD1-CD1 4.04Å; L32-I128 HydrophobicContact CG-CD1 4.33Å; F84-I128 HydrophobicContact CE1-CG2 4.29Å; F84-I128 HydrophobicContact CZ-CG2 4.42Å; N124-I128 PolarHBondContact O-N 3.19Å; I128-I130 HydrophobicContact CG2-CD1 3.61Å; I128-I130 HydrophobicContact CG2-CG1 4.26Å
129	V	96	Very high	96.7	Very high	82 Å²	82	44.8 Å²	44.8	50%	0.497	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.5	164.9	-178.1	0	0	0	0	108.4	G23 E24	G23-V129 CarbonylContact C-O 3.6Å; G23-V129 WeakPolarHBondContact CA-O 3.25Å; E24-V129 HydrophobicContact CB-CB 4.47Å; E24-V129 PolarHBondContact N-O 3.23Å; E24-V129 PolarHBondContact O-N 2.83Å
130	I	97.5	Very high	96.6	Very high	38 Å²	38	47.4 Å²	47.4	20%	0.195	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	120.6	174.6	-58.7	-58.1	0	0	0	108.1	L5 V21 F84 V121 I128 V133	L5-I130 HydrophobicContact CB-CG1 3.85Å; L5-I130 HydrophobicContact CD1-CD1 4.34Å; L5-I130 HydrophobicContact CD1-CG1 3.92Å; V21-I130 HydrophobicContact CG1-CD1 4.39Å; F84-I130 HydrophobicContact CZ-CD1 3.98Å; V121-I130 HydrophobicContact CG1-CD1 3.76Å; V121-I130 HydrophobicContact CG1-CG1 4.13Å; I128-I130 HydrophobicContact CG2-CD1 3.61Å; I128-I130 HydrophobicContact CG2-CG1 4.26Å; I130-V133 HydrophobicContact CG2-CG2 3.34Å
131	N	97.8	Very high	96.5	Very high	86 Å²	86	48.2 Å²	48.2	46%	0.46	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-36.5	-176.9	-71	-25	0	0	0	111.9	S22 E24	S22-N131 PolarHBondContact O-N 3.48Å; E24-N131 PolarHBondContact OE1-ND2 3.47Å
132	D	97.7	Very high	96.4	Very high	64 Å²	64	51.4 Å²	51.4	34%	0.342	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	143.7	177.8	-172.9	35.9	0	0	0	111.7	V21 S22	V21-D132 WeakPolarHBondContact CA-O 3.32Å; S22-D132 PolarHBondContact N-O 3.39Å; S22-D132 PolarHBondContact O-N 3.12Å; S22-D132 WeakPolarHBondContact OG-CB 3.38Å
133	V	98.2	Very high	96.2	Very high	23 Å²	23	52.9 Å²	52.9	14%	0.139	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	116.3	171.2	-174.6	0	0	0	0	108.1	A6 I8 L20 V21 V121 I130	A6-V133 HydrophobicContact CB-CB 4.43Å; A6-V133 HydrophobicContact CB-CG2 3.74Å; I8-V133 HydrophobicContact CB-CG1 4.43Å; I8-V133 VanDerWaalsContact CD1-O 3.24Å; I8-V133 WeakPolarHBondContact CD1-O 3.18Å; I8-V133 HydrophobicContact CG2-CG1 3.7Å; L20-V133 CarbonylContact O-C 3.54Å; L20-V133 VanDerWaalsContact O-CA 3.3Å; L20-V133 WeakPolarHBondContact O-CA 3.35Å; V21-V133 HydrophobicContact CG1-CG2 4.33Å; V21-V133 HydrophobicContact CG2-CG1 4.3Å; V121-V133 HydrophobicContact CG2-CG1 4.07Å; V121-V133 HydrophobicContact CG2-CG2 3.96Å; I130-V133 HydrophobicContact CG2-CG2 3.34Å
134	G	97.9	Very high	96.2	Very high	5 Å²	5	56.9 Å²	56.9	5%	0.052	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	150.6	-177.8	0	0	0	0	0	112.5	V19 L20	V19-G134 CarbonylContact C-O 3.5Å; V19-G134 WeakPolarHBondContact CA-O 3.47Å; L20-G134 PolarHBondContact N-O 3.03Å; L20-G134 PolarHBondContact O-N 3.29Å
135	V	98.2	Very high	96.3	Very high	38 Å²	38	59.8 Å²	59.8	23%	0.23	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.8	165.4	-174	0	0	0	0	106.6	I8 A10 F13 V18 V19 V119	I8-V135 HydrophobicContact CG2-CG2 3.98Å; A10-V135 HydrophobicContact CB-CG1 4.16Å; A10-V135 HydrophobicContact CB-CG2 4.14Å; F13-V135 HydrophobicContact CD2-CG1 3.97Å; F13-V135 HydrophobicContact CE2-CG1 4.26Å; V18-V135 CarbonylContact O-C 3.59Å; V18-V135 WeakPolarHBondContact O-CA 3.47Å; V19-V135 HydrophobicContact CG2-CG2 4.33Å; V119-V135 HydrophobicContact CG2-CG2 3.8Å
136	Y	95.7	Very high	96.6	Very high	179 Å²	179	57.3 Å²	57.3	70%	0.702	31%	0.309	S	S	*	.			trans	-124.6	0	-175.5	-55.9	-84.7	0	0	0	111.4	S17 V18 L20	S17-Y136 CarbonylContact C-O 3.58Å; S17-Y136 VanDerWaalsContact CA-O 3.26Å; S17-Y136 WeakPolarHBondContact CA-O 3.31Å; V18-Y136 PolarHBondContact N-O 2.9Å; V18-Y136 PolarHBondContact O-N 3.02Å; L20-Y136 HydrophobicContact CB-CD2 4.45Å; L20-Y136 HydrophobicContact CB-CE2 3.98Å; L20-Y136 HydrophobicContact CD2-CE2 4.26Å

Retrieved 136 of 136 residues in 352.8 ms (Link to these results)

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