A0A077Z2G7_TRITR Loading...

MIR domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2G7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 233 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	60.6	Low	79	Confident	219 Å²	219	118.1 Å²	118.1	100%	1.079	60%	0.595	S	S	*	*				0	123	0	-76.8	177.8	-90.8	0	0	107.4
2	T	81.5	Confident	79.2	Confident	78 Å²	78	123.5 Å²	123.5	48%	0.479	60%	0.603	S	S	.	*			trans	-79.5	156.6	178.4	65.1	0	0	0	0	109.5	W4 D5	T2-W4 PolarHBondContact O-N 2.98Å; T2-W4 VanDerWaalsContact O-N 3.08Å; T2-D5 PolarHBondContact N-OD2 3.23Å; T2-D5 WeakPolarHBondContact O-CB 3.45Å; T2-D5 PolarHBondContact O-N 2.81Å; T2-D5 PolarHBondContact OG1-OD2 3.43Å
3	C	77.9	Confident	79	Confident	101 Å²	101	120.5 Å²	120.5	68%	0.682	60%	0.597	S	S	*	*	H	α-helix	trans	-53	-29.5	175	-178.6	0	0	0	0	112.4	Q6 Y7	C3-Q6 PolarHBondContact O-N 3.08Å; C3-Y7 PolarHBondContact O-N 3.08Å
4	W	73	Confident	79.1	Confident	202 Å²	202	117.9 Å²	117.9	77%	0.765	59%	0.585	S	S	*	*	H	α-helix	trans	-65.2	-37.8	175.4	-63.6	92.6	0	0	0	113.4	T2 Q6 Y7 L8	T2-W4 PolarHBondContact O-N 2.98Å; T2-W4 VanDerWaalsContact O-N 3.08Å; W4-Q6 VanDerWaalsContact C-N 3.33Å; W4-Q6 PolarHBondContact O-N 2.97Å; W4-Y7 PolarHBondContact O-N 3.1Å; W4-L8 WeakPolarHBondContact O-CG 3.49Å; W4-L8 PolarHBondContact O-N 3.47Å; W4-L8 VanDerWaalsContact O-N 3.1Å
5	D	79.9	Confident	78.8	Confident	80 Å²	80	117.7 Å²	117.7	43%	0.428	58%	0.58	S	S	.	*	H	α-helix	trans	-65.2	-38.7	178.4	-58.9	-44.5	0	0	0	111.3	T2 A9	T2-D5 PolarHBondContact N-OD2 3.23Å; T2-D5 WeakPolarHBondContact O-CB 3.45Å; T2-D5 PolarHBondContact O-N 2.81Å; T2-D5 PolarHBondContact OG1-OD2 3.43Å; D5-A9 WeakPolarHBondContact O-CB 3.5Å; D5-A9 PolarHBondContact O-N 3.29Å; D5-A9 VanDerWaalsContact O-N 3.08Å
6	Q	78.3	Confident	78.3	Confident	134 Å²	134	113.8 Å²	113.8	63%	0.626	57%	0.572	S	S	*	*	H	α-helix	trans	-65.4	-40.9	175.5	-99.4	177.6	-14.4	0	0	112.1	C3 W4 A9 I10	C3-Q6 PolarHBondContact O-N 3.08Å; W4-Q6 VanDerWaalsContact C-N 3.33Å; W4-Q6 PolarHBondContact O-N 2.97Å; Q6-A9 PolarHBondContact O-N 2.96Å; Q6-I10 VanDerWaalsContact O-CG1 3.31Å; Q6-I10 WeakPolarHBondContact O-CG1 3.29Å; Q6-I10 PolarHBondContact O-N 2.93Å
7	Y	81.7	Confident	77.8	Confident	156 Å²	156	112.8 Å²	112.8	61%	0.612	57%	0.573	S	S	*	*	H	α-helix	trans	-66.1	-41	179.9	-157.1	-94.8	0	0	0	111.9	C3 W4 I10 L11	C3-Y7 PolarHBondContact O-N 3.08Å; W4-Y7 PolarHBondContact O-N 3.1Å; Y7-I10 PolarHBondContact O-N 2.98Å; Y7-L11 HydrophobicContact CD1-CD1 3.68Å; Y7-L11 HydrophobicContact CD1-CG 4.22Å; Y7-L11 HydrophobicContact CE1-CD1 3.69Å; Y7-L11 HydrophobicContact CE1-CG 4.15Å; Y7-L11 WeakPolarHBondContact O-CG 3.49Å; Y7-L11 PolarHBondContact O-N 3.35Å
8	L	82.5	Confident	77	Confident	99 Å²	99	115.7 Å²	115.7	52%	0.518	58%	0.577	S	S	.	*	H	α-helix	trans	-64.6	-40.3	174.9	-70.2	174.2	0	0	0	112.1	W4 I10 L11 W12	W4-L8 WeakPolarHBondContact O-CG 3.49Å; W4-L8 PolarHBondContact O-N 3.47Å; W4-L8 VanDerWaalsContact O-N 3.1Å; L8-I10 VanDerWaalsContact C-N 3.35Å; L8-I10 PolarHBondContact O-N 3.36Å; L8-L11 PolarHBondContact O-N 3.49Å; L8-W12 WeakPolarHBondContact O-CB 3.45Å; L8-W12 PolarHBondContact O-N 3.03Å
9	A	84	Confident	76.2	Confident	54 Å²	54	115.6 Å²	115.6	45%	0.446	58%	0.575	S	S	.	*	H	α-helix	trans	-64.1	-38.3	176	0	0	0	0	0	112.5	D5 Q6 W12 T13	D5-A9 WeakPolarHBondContact O-CB 3.5Å; D5-A9 PolarHBondContact O-N 3.29Å; D5-A9 VanDerWaalsContact O-N 3.08Å; Q6-A9 PolarHBondContact O-N 2.96Å; A9-W12 PolarHBondContact O-N 3.49Å; A9-T13 PolarHBondContact O-N 2.81Å; A9-T13 PolarHBondContact O-OG1 3.35Å
10	I	86.2	Confident	75.3	Confident	91 Å²	91	114.1 Å²	114.1	47%	0.467	58%	0.581	S	S	.	*	H	α-helix	trans	-67	-44	175.4	-68.1	166.5	0	0	0	110.7	Q6 Y7 L8 W12 T13 I14	Q6-I10 VanDerWaalsContact O-CG1 3.31Å; Q6-I10 WeakPolarHBondContact O-CG1 3.29Å; Q6-I10 PolarHBondContact O-N 2.93Å; Y7-I10 PolarHBondContact O-N 2.98Å; L8-I10 VanDerWaalsContact C-N 3.35Å; L8-I10 PolarHBondContact O-N 3.36Å; I10-W12 VanDerWaalsContact C-N 3.35Å; I10-W12 PolarHBondContact O-N 2.86Å; I10-T13 VanDerWaalsContact CA-OG1 3.32Å; I10-T13 WeakPolarHBondContact CA-OG1 3.31Å; I10-T13 PolarHBondContact O-N 3.45Å; I10-T13 PolarHBondContact O-OG1 3.46Å; I10-I14 HydrophobicContact CG2-CD1 3.66Å; I10-I14 HydrophobicContact CG2-CG1 4.29Å; I10-I14 WeakPolarHBondContact O-CB 3.32Å; I10-I14 VanDerWaalsContact O-CG1 3.24Å; I10-I14 WeakPolarHBondContact O-CG1 3.37Å; I10-I14 PolarHBondContact O-N 2.85Å
11	L	82.9	Confident	74.3	Confident	85 Å²	85	112.4 Å²	112.4	45%	0.445	58%	0.584	S	S	.	*	H	α-helix	trans	-62.6	-41.6	176	-76.2	169.9	0	0	0	112.1	Y7 L8 I14 F15	Y7-L11 HydrophobicContact CD1-CD1 3.68Å; Y7-L11 HydrophobicContact CD1-CG 4.22Å; Y7-L11 HydrophobicContact CE1-CD1 3.69Å; Y7-L11 HydrophobicContact CE1-CG 4.15Å; Y7-L11 WeakPolarHBondContact O-CG 3.49Å; Y7-L11 PolarHBondContact O-N 3.35Å; L8-L11 PolarHBondContact O-N 3.49Å; L11-I14 PolarHBondContact O-N 2.94Å; L11-F15 VanDerWaalsContact O-CB 3.3Å; L11-F15 WeakPolarHBondContact O-CB 3.3Å; L11-F15 PolarHBondContact O-N 3.47Å
12	W	81.5	Confident	74	Confident	183 Å²	183	105 Å²	105	69%	0.693	56%	0.558	S	S	*	*	H	α-helix	trans	-64.2	-41.6	176.1	-93.8	102.6	0	0	0	112.7	L8 A9 I10 F15 A16	L8-W12 WeakPolarHBondContact O-CB 3.45Å; L8-W12 PolarHBondContact O-N 3.03Å; A9-W12 PolarHBondContact O-N 3.49Å; I10-W12 VanDerWaalsContact C-N 3.35Å; I10-W12 PolarHBondContact O-N 2.86Å; W12-F15 PolarHBondContact O-N 3.35Å; W12-A16 VanDerWaalsContact O-CB 3.29Å; W12-A16 WeakPolarHBondContact O-CB 3.24Å; W12-A16 PolarHBondContact O-N 2.84Å
13	T	77.4	Confident	72.6	Confident	85 Å²	85	103.9 Å²	103.9	52%	0.521	56%	0.562	S	S	.	*	H	α-helix	trans	-69.2	-41.7	176.3	43	0	0	0	0	111.9	A9 I10 F15 A16 V17	A9-T13 PolarHBondContact O-N 2.81Å; A9-T13 PolarHBondContact O-OG1 3.35Å; I10-T13 VanDerWaalsContact CA-OG1 3.32Å; I10-T13 WeakPolarHBondContact CA-OG1 3.31Å; I10-T13 PolarHBondContact O-N 3.45Å; I10-T13 PolarHBondContact O-OG1 3.46Å; T13-F15 VanDerWaalsContact C-N 3.34Å; T13-F15 PolarHBondContact O-N 3.16Å; T13-A16 PolarHBondContact O-N 3.32Å; T13-V17 WeakPolarHBondContact O-CB 3.41Å; T13-V17 VanDerWaalsContact O-CG2 3.22Å; T13-V17 WeakPolarHBondContact O-CG2 3.45Å; T13-V17 PolarHBondContact O-N 2.89Å
14	I	80.1	Confident	71.5	Confident	84 Å²	84	105.1 Å²	105.1	43%	0.431	56%	0.557	S	S	.	*	H	α-helix	trans	-60	-46	172.9	-69.5	170.2	0	0	0	110.1	I10 L11 V17 Y18	I10-I14 HydrophobicContact CG2-CD1 3.66Å; I10-I14 HydrophobicContact CG2-CG1 4.29Å; I10-I14 WeakPolarHBondContact O-CB 3.32Å; I10-I14 VanDerWaalsContact O-CG1 3.24Å; I10-I14 WeakPolarHBondContact O-CG1 3.37Å; I10-I14 PolarHBondContact O-N 2.85Å; L11-I14 PolarHBondContact O-N 2.94Å; I14-V17 PolarHBondContact O-N 3.32Å; I14-Y18 HydrophobicContact CG2-CD2 3.73Å; I14-Y18 HydrophobicContact CG2-CE2 3.91Å; I14-Y18 WeakPolarHBondContact O-CB 3.35Å; I14-Y18 WeakPolarHBondContact O-CD2 3.47Å; I14-Y18 PolarHBondContact O-N 2.84Å
15	F	74.3	Confident	71.3	Confident	115 Å²	115	98.2 Å²	98.2	50%	0.504	54%	0.538	S	S	.	.	H	α-helix	trans	-61.9	-45.5	177.1	-173.2	-98.2	0	0	0	111.6	L11 W12 T13 V17 Y18 Q19	L11-F15 VanDerWaalsContact O-CB 3.3Å; L11-F15 WeakPolarHBondContact O-CB 3.3Å; L11-F15 PolarHBondContact O-N 3.47Å; W12-F15 PolarHBondContact O-N 3.35Å; T13-F15 VanDerWaalsContact C-N 3.34Å; T13-F15 PolarHBondContact O-N 3.16Å; F15-V17 VanDerWaalsContact C-N 3.35Å; F15-V17 PolarHBondContact O-N 3.45Å; F15-Y18 WeakPolarHBondContact O-CB 3.39Å; F15-Y18 PolarHBondContact O-N 3.48Å; F15-Y18 VanDerWaalsContact O-N 3.16Å; F15-Q19 HydrophobicContact CD1-CG 3.97Å; F15-Q19 HydrophobicContact CE1-CG 3.67Å; F15-Q19 HydrophobicContact CZ-CG 4.08Å; F15-Q19 WeakPolarHBondContact O-CG 3.22Å; F15-Q19 PolarHBondContact O-N 2.82Å
16	A	71.2	Confident	71.7	Confident	55 Å²	55	97.1 Å²	97.1	46%	0.455	53%	0.532	S	S	.	.	H	α-helix	trans	-61.7	-40.7	176.6	0	0	0	0	0	112.3	W12 T13 Q19 A20	W12-A16 VanDerWaalsContact O-CB 3.29Å; W12-A16 WeakPolarHBondContact O-CB 3.24Å; W12-A16 PolarHBondContact O-N 2.84Å; T13-A16 PolarHBondContact O-N 3.32Å; A16-Q19 PolarHBondContact O-N 3.37Å; A16-A20 WeakPolarHBondContact O-CB 3.4Å; A16-A20 PolarHBondContact O-N 2.83Å
17	V	69.1	Low	72.4	Confident	97 Å²	97	90.8 Å²	90.8	59%	0.588	50%	0.502	S	S	*	.	H	α-helix	trans	-64.7	-40.7	173.4	171	0	0	0	0	110.8	T13 I14 F15 A20 A21	T13-V17 WeakPolarHBondContact O-CB 3.41Å; T13-V17 VanDerWaalsContact O-CG2 3.22Å; T13-V17 WeakPolarHBondContact O-CG2 3.45Å; T13-V17 PolarHBondContact O-N 2.89Å; I14-V17 PolarHBondContact O-N 3.32Å; F15-V17 VanDerWaalsContact C-N 3.35Å; F15-V17 PolarHBondContact O-N 3.45Å; V17-A20 PolarHBondContact O-N 2.78Å; V17-A21 WeakPolarHBondContact O-CB 3.15Å; V17-A21 PolarHBondContact O-N 3.32Å
18	Y	64	Low	73.1	Confident	165 Å²	165	83.3 Å²	83.3	65%	0.647	47%	0.473	S	S	*	.	H	α-helix	trans	-63.2	-42.3	174.3	-99.5	-82.6	0	0	0	112.1	I14 F15 A20 A21 A22	I14-Y18 HydrophobicContact CG2-CD2 3.73Å; I14-Y18 HydrophobicContact CG2-CE2 3.91Å; I14-Y18 WeakPolarHBondContact O-CB 3.35Å; I14-Y18 WeakPolarHBondContact O-CD2 3.47Å; I14-Y18 PolarHBondContact O-N 2.84Å; F15-Y18 WeakPolarHBondContact O-CB 3.39Å; F15-Y18 PolarHBondContact O-N 3.48Å; F15-Y18 VanDerWaalsContact O-N 3.16Å; Y18-A20 VanDerWaalsContact C-N 3.35Å; Y18-A21 PolarHBondContact O-N 3.35Å; Y18-A22 WeakPolarHBondContact O-CB 3.17Å; Y18-A22 PolarHBondContact O-N 2.8Å
19	Q	61.9	Low	73.8	Confident	114 Å²	114	78.7 Å²	78.7	53%	0.533	45%	0.449	S	S	.	.	H	α-helix	trans	-64.8	-39.3	175.2	-65.6	-56.4	-32.2	0	0	111.5	F15 A16	F15-Q19 HydrophobicContact CD1-CG 3.97Å; F15-Q19 HydrophobicContact CE1-CG 3.67Å; F15-Q19 HydrophobicContact CZ-CG 4.08Å; F15-Q19 WeakPolarHBondContact O-CG 3.22Å; F15-Q19 PolarHBondContact O-N 2.82Å; A16-Q19 PolarHBondContact O-N 3.37Å
20	A	57.9	Low	74.4	Confident	84 Å²	84	76.2 Å²	76.2	69%	0.694	43%	0.428	S	S	*	.	H	α-helix	trans	-69.5	-36.8	175.5	0	0	0	0	0	112.7	A16 V17 Y18	A16-A20 WeakPolarHBondContact O-CB 3.4Å; A16-A20 PolarHBondContact O-N 2.83Å; V17-A20 PolarHBondContact O-N 2.78Å; Y18-A20 VanDerWaalsContact C-N 3.35Å
21	A	54.8	Low	74.9	Confident	80 Å²	80	74 Å²	74	66%	0.661	42%	0.419	S	S	*	.	H	α-helix	trans	-78.8	-31.2	180	0	0	0	0	0	112.7	V17 Y18 G23	V17-A21 WeakPolarHBondContact O-CB 3.15Å; V17-A21 PolarHBondContact O-N 3.32Å; Y18-A21 PolarHBondContact O-N 3.35Å; A21-G23 PolarHBondContact O-N 3.31Å
22	A	52.8	Low	75.6	Confident	62 Å²	62	69.9 Å²	69.9	51%	0.512	40%	0.398	S	S	.	.			trans	-73.7	62.5	168.1	0	0	0	0	0	109.3	Y18 H24	Y18-A22 WeakPolarHBondContact O-CB 3.17Å; Y18-A22 PolarHBondContact O-N 2.8Å; A22-H24 PolarHBondContact O-N 3.46Å
23	G	53	Low	76.4	Confident	55 Å²	55	62.3 Å²	62.3	57%	0.567	37%	0.371	S	S	*	.			trans	-66.6	35.7	177.2	0	0	0	0	0	114.1	A21 T25	A21-G23 PolarHBondContact O-N 3.31Å; G23-T25 VanDerWaalsContact C-N 3.26Å; G23-T25 PolarHBondContact O-N 3Å
24	H	55.4	Low	77.4	Confident	127 Å²	127	58.2 Å²	58.2	59%	0.588	35%	0.346	S	S	*	.			trans	-76	86	166.8	-165.4	85.4	0	0	0	108.1	A22 D26 R148	A22-H24 PolarHBondContact O-N 3.46Å; H24-D26 PolarHBondContact O-N 3.48Å; H24-R148 PolarHBondContact CE1-NH1 2.72Å; H24-R148 PolarHBondContact NE2-NH1 2.83Å
25	T	69.1	Low	78.3	Confident	58 Å²	58	54.3 Å²	54.3	36%	0.356	33%	0.326	S	S	.	.			trans	-70.8	133.1	172	68.2	0	0	0	0	108.7	G23 A27 E89 R148	G23-T25 VanDerWaalsContact C-N 3.26Å; G23-T25 PolarHBondContact O-N 3Å; T25-A27 PolarHBondContact O-N 3.36Å; T25-E89 WeakPolarHBondContact CB-OE1 3.45Å; T25-E89 WeakPolarHBondContact CG2-OE1 3.08Å; T25-E89 PolarHBondContact OG1-OE1 2.83Å; T25-R148 PolarHBondContact O-NH2 3.47Å; T25-R148 VanDerWaalsContact O-NH2 3.13Å
26	D	87.7	Confident	79.5	Confident	56 Å²	56	48.8 Å²	48.8	30%	0.299	30%	0.302	S	S	.	.			trans	-76.8	30.4	175.3	-167	36.3	0	0	0	111	H24 S147 R148 K149	H24-D26 PolarHBondContact O-N 3.48Å; D26-S147 CarbonylContact O-C 3.49Å; D26-S147 VanDerWaalsContact O-CA 3.29Å; D26-S147 WeakPolarHBondContact O-CA 3.36Å; D26-S147 PolarHBondContact OD2-OG 3.35Å; D26-R148 WeakPolarHBondContact O-CG 3.37Å; D26-R148 PolarHBondContact O-N 3.33Å; D26-K149 VanDerWaalsContact OD2-CD 3.3Å; D26-K149 WeakPolarHBondContact OD2-CD 3.47Å; D26-K149 WeakPolarHBondContact OD2-CG 3.39Å
27	A	93.5	Very high	80.8	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.008	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-96.4	144.3	-175.1	0	0	0	0	0	111.3	T25 E89 V145 W146 R148	T25-A27 PolarHBondContact O-N 3.36Å; A27-E89 HydrophobicContact CB-CB 4.27Å; A27-E89 HydrophobicContact CB-CG 4Å; A27-V145 HydrophobicContact CB-CB 4.27Å; A27-V145 HydrophobicContact CB-CG2 3.99Å; A27-W146 CarbonylContact C-O 3.59Å; A27-W146 WeakPolarHBondContact CA-O 3.2Å; A27-R148 PolarHBondContact O-NE 3.29Å; A27-R148 PolarHBondContact O-NH2 3.23Å
28	V	96.3	Very high	82.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.261	C	S	.	.			trans	-69.8	135.7	163.4	-178.5	0	0	0	0	108.1	V76 I90 W146 R148 T220 Y225	V28-V76 HydrophobicContact CG1-CG2 4Å; V28-I90 PolarHBondContact O-N 3.16Å; V28-W146 HydrophobicContact CB-CB 4.44Å; V28-W146 HydrophobicContact CB-CD2 3.79Å; V28-W146 HydrophobicContact CB-CE3 3.82Å; V28-W146 HydrophobicContact CB-CG 4.11Å; V28-W146 HydrophobicContact CB-CZ3 4.31Å; V28-W146 HydrophobicContact CG1-CD2 4.19Å; V28-W146 HydrophobicContact CG1-CE3 3.77Å; V28-W146 HydrophobicContact CG1-CH2 4.2Å; V28-W146 HydrophobicContact CG1-CZ3 3.78Å; V28-W146 HydrophobicContact CG2-CD2 3.71Å; V28-W146 HydrophobicContact CG2-CE3 4.17Å; V28-W146 HydrophobicContact CG2-CG 3.95Å; V28-W146 HydrophobicContact CG2-CZ2 4.16Å; V28-W146 PolarHBondContact N-O 2.63Å; V28-R148 HydrophobicContact CG2-CG 4.01Å; V28-T220 HydrophobicContact CG2-CG2 3.83Å; V28-Y225 HydrophobicContact CG2-CE1 4.25Å
29	T	96.6	Very high	83.8	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.012	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-123.9	154.8	-176	62.9	0	0	0	0	112.1	S32 G87 E88 E89 F226	T29-S32 PolarHBondContact N-OG 3.34Å; T29-S32 WeakPolarHBondContact O-CB 3.29Å; T29-S32 PolarHBondContact O-N 3.2Å; T29-S32 PolarHBondContact O-OG 3.29Å; T29-S32 PolarHBondContact OG1-OG 2.83Å; T29-G87 VanDerWaalsContact CG2-O 3.3Å; T29-G87 WeakPolarHBondContact CG2-O 3.3Å; T29-E88 CarbonylContact C-O 3.55Å; T29-E88 WeakPolarHBondContact CA-O 3.3Å; T29-E88 VanDerWaalsContact CB-O 3.23Å; T29-E88 WeakPolarHBondContact CB-O 3.35Å; T29-E89 HydrophobicContact CG2-CG 4.13Å; T29-F226 WeakPolarHBondContact CB-O 3.24Å; T29-F226 WeakPolarHBondContact CG2-O 3.38Å; T29-F226 PolarHBondContact OG1-O 3Å
30	C	97.4	Very high	85.5	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.014	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	138.9	172.6	172.2	0	0	0	0	111.3	S32 C84 M85 G87 E88 I90	C30-S32 PolarHBondContact O-N 3.33Å; C30-C84 HydrophobicContact CB-CB 3.72Å; C30-C84 WeakPolarHBondContact CB-SG 3.35Å; C30-C84 WeakPolarHBondContact SG-CB 3.25Å; C30-C84 PolarHBondContact SG-O 3.02Å; C30-C84 VanDerWaalsContact SG-O 3.35Å; C30-C84 CovalentContact SG-SG 2.01Å; C30-C84 PolarHBondContact SG-SG 3.49Å; C30-M85 WeakPolarHBondContact CB-O 3.41Å; C30-G87 PolarHBondContact O-N 2.86Å; C30-E88 HydrophobicContact CB-CB 4.26Å; C30-E88 PolarHBondContact N-O 3.35Å; C30-I90 HydrophobicContact CB-CD1 4.21Å
31	T	96.9	Very high	87.3	Confident	43 Å²	43	36.9 Å²	36.9	26%	0.264	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	0	-173.8	-44.5	0	0	0	0	114.2	I75 V76 R86 F226	T31-I75 HydrophobicContact CG2-CD1 4.19Å; T31-V76 WeakPolarHBondContact CA-O 3.39Å; T31-V76 PolarHBondContact N-O 2.7Å; T31-R86 HydrophobicContact CG2-CG 4.39Å; T31-F226 HydrophobicContact CG2-CD2 4.45Å; T31-F226 HydrophobicContact CG2-CE2 4.3Å; T31-F226 WeakPolarHBondContact O-CD2 3.49Å; T31-F226 WeakPolarHBondContact O-CE2 3.39Å
32	S	97.2	Very high	89.4	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.22	C	C	.	.			trans	-61.8	147.2	169.7	-65.6	0	0	0	0	111.1	T29 C30 I75 V76 V224 Y225 F226	T29-S32 PolarHBondContact N-OG 3.34Å; T29-S32 WeakPolarHBondContact O-CB 3.29Å; T29-S32 PolarHBondContact O-N 3.2Å; T29-S32 PolarHBondContact O-OG 3.29Å; T29-S32 PolarHBondContact OG1-OG 2.83Å; C30-S32 PolarHBondContact O-N 3.33Å; S32-I75 WeakPolarHBondContact O-CA 3.19Å; S32-V76 PolarHBondContact O-N 3.16Å; S32-V224 WeakPolarHBondContact CA-O 3.24Å; S32-Y225 WeakPolarHBondContact OG-CA 3.21Å; S32-F226 PolarHBondContact OG-N 3.48Å
33	V	98.4	Very high	91.5	Very high	23 Å²	23	36.6 Å²	36.6	14%	0.139	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.9	174.2	174.6	0	0	0	0	107.9	Y73 W74 I75 L101 G223 V224	V33-Y73 HydrophobicContact CG1-CD1 3.69Å; V33-Y73 HydrophobicContact CG1-CG 4.04Å; V33-W74 CarbonylContact C-O 3.58Å; V33-W74 WeakPolarHBondContact CA-O 3.4Å; V33-I75 HydrophobicContact CG2-CB 4.35Å; V33-I75 HydrophobicContact CG2-CG1 4.38Å; V33-L101 HydrophobicContact CB-CD1 4.33Å; V33-L101 HydrophobicContact CG1-CD1 3.41Å; V33-L101 VanDerWaalsContact CG1-CD1 3.41Å; V33-L101 HydrophobicContact CG1-CG 4.22Å; V33-L101 HydrophobicContact CG2-CD1 3.92Å; V33-L101 HydrophobicContact CG2-CD2 4.39Å; V33-G223 CarbonylContact O-C 3.57Å; V33-G223 WeakPolarHBondContact O-CA 3.48Å; V33-V224 PolarHBondContact N-O 3.05Å; V33-V224 PolarHBondContact O-N 2.93Å
34	I	98.2	Very high	93.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	153	-171.2	59.7	173	0	0	0	111.4	L36 W74 V76 L98 W146 T220 E222 Y225	I34-L36 HydrophobicContact CD1-CD2 3.99Å; I34-L36 HydrophobicContact CD1-CG 4.18Å; I34-W74 PolarHBondContact N-O 2.76Å; I34-W74 PolarHBondContact O-N 3.36Å; I34-V76 HydrophobicContact CD1-CG2 3.68Å; I34-V76 HydrophobicContact CG1-CG2 4.05Å; I34-L98 HydrophobicContact CD1-CD2 4.42Å; I34-W146 HydrophobicContact CD1-CH2 3.49Å; I34-W146 VanDerWaalsContact CD1-CH2 3.49Å; I34-W146 HydrophobicContact CD1-CZ2 4.03Å; I34-W146 HydrophobicContact CD1-CZ3 4.37Å; I34-T220 HydrophobicContact CB-CG2 4.23Å; I34-T220 HydrophobicContact CD1-CG2 3.9Å; I34-T220 HydrophobicContact CG2-CG2 4.17Å; I34-E222 CarbonylContact C-O 3.5Å; I34-Y225 HydrophobicContact CG2-CD1 4.25Å; I34-Y225 HydrophobicContact CG2-CE1 3.47Å; I34-Y225 VanDerWaalsContact CG2-CE1 3.47Å
35	K	98.5	Very high	95.8	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	138.8	157.4	-55.7	-161.1	-174.4	-169.8	0	108.6	V67 D69 S72 Y73 T220 A221 E222	K35-V67 PolarHBondContact NZ-O 3.32Å; K35-D69 PolarHBondContact NZ-O 3.13Å; K35-S72 WeakPolarHBondContact CG-O 3.43Å; K35-Y73 HydrophobicContact CD-CD1 4.42Å; K35-Y73 HydrophobicContact CD-CE1 4.2Å; K35-Y73 HydrophobicContact CG-CD1 3.74Å; K35-Y73 HydrophobicContact CG-CE1 3.8Å; K35-Y73 HydrophobicContact CG-CG 4.47Å; K35-T220 WeakPolarHBondContact O-CA 3.27Å; K35-A221 HydrophobicContact CB-CB 4.4Å; K35-A221 PolarHBondContact O-N 2.52Å; K35-E222 HydrophobicContact CD-CB 4.19Å; K35-E222 WeakPolarHBondContact CD-OE2 3.18Å; K35-E222 HydrophobicContact CG-CB 4.24Å; K35-E222 PolarHBondContact N-O 3.45Å
36	L	98.7	Very high	97.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.5	173.6	-70.2	170	0	0	0	109	I34 R44 L45 L98 W146 F154 W218 K219 T220	I34-L36 HydrophobicContact CD1-CD2 3.99Å; I34-L36 HydrophobicContact CD1-CG 4.18Å; L36-R44 CarbonylContact O-C 3.56Å; L36-R44 WeakPolarHBondContact O-CA 3.06Å; L36-L45 HydrophobicContact CB-CB 4.06Å; L36-L45 HydrophobicContact CD1-CD2 3.93Å; L36-L45 PolarHBondContact O-N 2.98Å; L36-L98 HydrophobicContact CD1-CD1 3.76Å; L36-W146 HydrophobicContact CD2-CH2 4.28Å; L36-W146 HydrophobicContact CD2-CZ2 3.92Å; L36-F154 HydrophobicContact CD1-CE2 3.75Å; L36-F154 HydrophobicContact CD1-CZ 3.97Å; L36-F154 HydrophobicContact CD2-CE2 4.12Å; L36-F154 HydrophobicContact CD2-CZ 4.08Å; L36-W218 HydrophobicContact CB-CE3 3.89Å; L36-W218 HydrophobicContact CB-CZ3 4.45Å; L36-W218 HydrophobicContact CD2-CB 4.47Å; L36-K219 CarbonylContact C-O 3.38Å; L36-K219 WeakPolarHBondContact CA-O 3.18Å; L36-T220 HydrophobicContact CD2-CG2 4.19Å
37	I	98.5	Very high	97.7	Very high	34 Å²	34	23.9 Å²	23.9	17%	0.174	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	133.5	173.6	-171.6	171.2	0	0	0	109.9	P39 R43 R44 W218 K219 A221	I37-P39 WeakPolarHBondContact O-CD 3.15Å; I37-R43 CarbonylContact C-O 3.55Å; I37-R43 WeakPolarHBondContact CA-O 3.13Å; I37-R44 HydrophobicContact CB-CG 4.29Å; I37-W218 CarbonylContact O-C 3.6Å; I37-W218 VanDerWaalsContact O-CA 3.3Å; I37-W218 WeakPolarHBondContact O-CA 3.06Å; I37-K219 HydrophobicContact CG2-CB 3.89Å; I37-K219 WeakPolarHBondContact CG2-O 3.44Å; I37-K219 PolarHBondContact N-O 3Å; I37-K219 PolarHBondContact O-N 3.14Å; I37-A221 HydrophobicContact CB-CB 4.39Å; I37-A221 HydrophobicContact CG2-CB 4.14Å
38	N	98.6	Very high	97.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	111.3	164.9	-178	-78.2	0	0	0	108.2	K40 Q41 S42 R43 M191 Q215 R217 W218	N38-K40 VanDerWaalsContact C-N 3.3Å; N38-K40 PolarHBondContact O-N 2.82Å; N38-K40 WeakPolarHBondContact OD1-CB 3.46Å; N38-K40 PolarHBondContact OD1-N 3.47Å; N38-K40 VanDerWaalsContact OD1-N 3.16Å; N38-Q41 PolarHBondContact OD1-N 2.62Å; N38-S42 VanDerWaalsContact O-CA 3.27Å; N38-S42 WeakPolarHBondContact O-CA 3.3Å; N38-S42 PolarHBondContact O-N 3.09Å; N38-R43 PolarHBondContact N-O 2.82Å; N38-R43 PolarHBondContact O-N 2.04Å; N38-M191 HydrophobicContact CB-CB 4.17Å; N38-M191 HydrophobicContact CB-CE 3.88Å; N38-M191 HydrophobicContact CB-SD 4.1Å; N38-Q215 PolarHBondContact ND2-O 3.34Å; N38-R217 PolarHBondContact ND2-O 2.93Å; N38-W218 HydrophobicContact CB-CD2 4.41Å; N38-W218 HydrophobicContact CB-CE3 3.91Å; N38-W218 HydrophobicContact CB-CH2 4.17Å; N38-W218 HydrophobicContact CB-CZ3 3.78Å
39	P	97.6	Very high	97.9	Very high	53 Å²	53	30.8 Å²	30.8	34%	0.344	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-33.7	-175.6	-22.7	35.4	0	0	0	113	I37 S42 R217 K219	I37-P39 WeakPolarHBondContact O-CD 3.15Å; P39-S42 PolarHBondContact O-N 3.03Å; P39-S42 PolarHBondContact O-OG 2.95Å; P39-R217 WeakPolarHBondContact CD-O 3.47Å; P39-K219 HydrophobicContact CG-CD 4.14Å; P39-K219 HydrophobicContact CG-CG 4.01Å
40	K	97.7	Very high	97.9	Very high	134 Å²	134	32.6 Å²	32.6	58%	0.583	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-46	-178.4	177.7	61.6	178.3	-176	0	112	N38 E214	N38-K40 VanDerWaalsContact C-N 3.3Å; N38-K40 PolarHBondContact O-N 2.82Å; N38-K40 WeakPolarHBondContact OD1-CB 3.46Å; N38-K40 PolarHBondContact OD1-N 3.47Å; N38-K40 VanDerWaalsContact OD1-N 3.16Å; K40-E214 HydrophobicContact CD-CB 4.48Å; K40-E214 HydrophobicContact CG-CB 4.42Å
41	Q	97.5	Very high	97.9	Very high	43 Å²	43	39.3 Å²	39.3	20%	0.201	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-15	178.5	-57.4	-59.8	-18.2	0	0	112.7	N38 R43 M191 H204	N38-Q41 PolarHBondContact OD1-N 2.62Å; Q41-R43 VanDerWaalsContact C-N 3.32Å; Q41-R43 HydrophobicContact CB-CB 4.4Å; Q41-R43 HydrophobicContact CB-CG 4Å; Q41-R43 WeakPolarHBondContact O-CG 3.36Å; Q41-R43 PolarHBondContact O-N 3.42Å; Q41-M191 HydrophobicContact CB-CG 4.47Å; Q41-M191 HydrophobicContact CB-SD 3.69Å; Q41-M191 HydrophobicContact CG-CB 4.3Å; Q41-M191 HydrophobicContact CG-CG 4.03Å; Q41-M191 HydrophobicContact CG-SD 3.91Å; Q41-H204 PolarHBondContact OE1-CE1 3.26Å; Q41-H204 VanDerWaalsContact OE1-CE1 3.28Å
42	S	97	Very high	97.9	Very high	78 Å²	78	38 Å²	38	55%	0.545	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	44.6	-171.5	-65.4	0	0	0	0	112.8	N38 P39	N38-S42 VanDerWaalsContact O-CA 3.27Å; N38-S42 WeakPolarHBondContact O-CA 3.3Å; N38-S42 PolarHBondContact O-N 3.09Å; P39-S42 PolarHBondContact O-N 3.03Å; P39-S42 PolarHBondContact O-OG 2.95Å
43	R	98.5	Very high	97.8	Very high	59 Å²	59	42.4 Å²	42.4	22%	0.223	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150.4	-177.9	-58	-63.3	167	151	-11	111.3	I37 N38 Q41 T64 S65 M191	I37-R43 CarbonylContact C-O 3.55Å; I37-R43 WeakPolarHBondContact CA-O 3.13Å; N38-R43 PolarHBondContact N-O 2.82Å; N38-R43 PolarHBondContact O-N 2.04Å; Q41-R43 VanDerWaalsContact C-N 3.32Å; Q41-R43 HydrophobicContact CB-CB 4.4Å; Q41-R43 HydrophobicContact CB-CG 4Å; Q41-R43 WeakPolarHBondContact O-CG 3.36Å; Q41-R43 PolarHBondContact O-N 3.42Å; R43-T64 CarbonylContact C-O 3.55Å; R43-T64 VanDerWaalsContact CA-O 3.24Å; R43-T64 WeakPolarHBondContact CA-O 3.3Å; R43-T64 WeakPolarHBondContact CB-O 3.28Å; R43-T64 WeakPolarHBondContact CD-O 3.33Å; R43-S65 PolarHBondContact NH1-OG 3Å; R43-M191 HydrophobicContact CB-CE 3.83Å; R43-M191 HydrophobicContact CB-SD 3.5Å; R43-M191 WeakPolarHBondContact CB-SD 3.34Å; R43-M191 HydrophobicContact CG-SD 4.02Å
44	R	98.6	Very high	97.6	Very high	24 Å²	24	44.2 Å²	44.2	9%	0.091	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	140.8	179	-74.2	164.5	179.5	68.1	0.4	111.5	L36 I37 H46 G63 T64 E222	L36-R44 CarbonylContact O-C 3.56Å; L36-R44 WeakPolarHBondContact O-CA 3.06Å; I37-R44 HydrophobicContact CB-CG 4.29Å; R44-H46 PolarHBondContact O-N 2.87Å; R44-G63 CarbonylContact O-C 3.56Å; R44-G63 WeakPolarHBondContact O-CA 3.23Å; R44-T64 HydrophobicContact CB-CG2 4.32Å; R44-T64 PolarHBondContact N-O 2.96Å; R44-T64 PolarHBondContact O-N 3.5Å; R44-E222 IonicContact CZ-OE1 3.51Å; R44-E222 IonicContact CZ-OE2 2.86Å; R44-E222 IonicContact NE-OE1 2.7Å; R44-E222 IonicContact NE-OE2 2.78Å; R44-E222 PolarHBondContact NE-OE2 3.21Å; R44-E222 IonicContact NH2-OE1 3.3Å; R44-E222 PolarHBondContact NH2-OE1 3.14Å; R44-E222 IonicContact NH2-OE2 3.79Å; R44-E222 PolarHBondContact NH2-OE2 3.23Å
45	L	98.9	Very high	97.5	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	126.6	170.5	-174.7	69	0	0	0	109.2	L36 I61 S72 W74 L107 L189 V206 W218	L36-L45 HydrophobicContact CB-CB 4.06Å; L36-L45 HydrophobicContact CD1-CD2 3.93Å; L36-L45 PolarHBondContact O-N 2.98Å; L45-I61 HydrophobicContact CD1-CG2 3.44Å; L45-I61 VanDerWaalsContact CD1-CG2 3.44Å; L45-I61 HydrophobicContact CG-CG2 4.4Å; L45-S72 WeakPolarHBondContact O-CA 3.01Å; L45-W74 HydrophobicContact CD2-CD2 4.08Å; L45-W74 HydrophobicContact CD2-CG 4.4Å; L45-W74 HydrophobicContact CD2-CZ2 3.98Å; L45-W74 HydrophobicContact CG-CZ2 3.85Å; L45-W74 PolarHBondContact O-NE1 2.75Å; L45-L107 HydrophobicContact CD1-CD1 4.49Å; L45-L107 HydrophobicContact CD2-CD1 4.33Å; L45-L107 HydrophobicContact CD2-CD2 4.29Å; L45-L189 HydrophobicContact CD2-CD2 4.47Å; L45-V206 HydrophobicContact CD1-CB 4.48Å; L45-V206 HydrophobicContact CD1-CG1 3.88Å; L45-V206 HydrophobicContact CD1-CG2 4.07Å; L45-W218 HydrophobicContact CB-CH2 4.18Å; L45-W218 HydrophobicContact CB-CZ3 3.82Å; L45-W218 HydrophobicContact CD1-CH2 3.96Å; L45-W218 HydrophobicContact CD1-CZ3 4.45Å
46	H	98.7	Very high	97.5	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.019	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	150.4	-166.7	175.7	-94.4	0	0	0	110.8	R44 H48 I61 T62 T64 D69 N71 Q203	R44-H46 PolarHBondContact O-N 2.87Å; H46-H48 AromaticContact CE1-CG 3.85Å; H46-H48 AromaticContact CE1-ND1 3.29Å; H46-H48 PolarHBondContact CE1-ND1 2.9Å; H46-H48 VanDerWaalsContact CE1-ND1 3.29Å; H46-H48 AromaticContact ND1-ND1 3.56Å; H46-I61 WeakPolarHBondContact O-CA 3.1Å; H46-T62 PolarHBondContact N-O 3.2Å; H46-T62 PolarHBondContact ND1-OG1 2.72Å; H46-T62 PolarHBondContact O-N 2.8Å; H46-T64 HydrophobicContact CB-CG2 3.71Å; H46-D69 IonicContact NE2-OD2 3.56Å; H46-N71 WeakPolarHBondContact CA-O 3.39Å; H46-N71 PolarHBondContact CD2-O 3.39Å; H46-N71 VanDerWaalsContact CD2-O 3.3Å; H46-N71 WeakPolarHBondContact NE2-CB 3.46Å; H46-Q203 PolarHBondContact ND1-OE1 3.46Å
47	S	98.7	Very high	97.4	Very high	0 Å²	0	49 Å²	49	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	153.5	174.2	-177.2	0	0	0	0	110.1	Q59 S60 N71 H100	S47-Q59 PolarHBondContact OG-OE1 3.03Å; S47-S60 PolarHBondContact OG-O 3.46Å; S47-N71 PolarHBondContact N-O 2.93Å; S47-N71 VanDerWaalsContact N-O 3.17Å; S47-N71 WeakPolarHBondContact O-CB 3.36Å; S47-H100 PolarHBondContact O-CE1 3.48Å; S47-H100 PolarHBondContact O-NE2 2.81Å
48	H	97.2	Very high	97.4	Very high	25 Å²	25	49.2 Å²	49.2	12%	0.116	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	172.6	178.6	56.4	-71.1	0	0	0	108.6	H46 V50 Q59 I200 Q203	H46-H48 AromaticContact CE1-CG 3.85Å; H46-H48 AromaticContact CE1-ND1 3.29Å; H46-H48 PolarHBondContact CE1-ND1 2.9Å; H46-H48 VanDerWaalsContact CE1-ND1 3.29Å; H46-H48 AromaticContact ND1-ND1 3.56Å; H48-V50 WeakPolarHBondContact CD2-CG2 3.41Å; H48-V50 VanDerWaalsContact NE2-CB 3.32Å; H48-V50 WeakPolarHBondContact NE2-CB 3.35Å; H48-V50 WeakPolarHBondContact NE2-CG2 3.11Å; H48-V50 PolarHBondContact O-N 3.09Å; H48-Q59 WeakPolarHBondContact O-CG 3.47Å; H48-Q59 PolarHBondContact O-NE2 2.62Å; H48-I200 WeakPolarHBondContact NE2-CG2 3.46Å; H48-Q203 PolarHBondContact CE1-OE1 3.37Å
49	D	95.8	Very high	97.4	Very high	122 Å²	122	49.7 Å²	49.7	65%	0.652	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	53.6	-172.7	-154.4	27.6	0	0	0	114.2	Q59	D49-Q59 PolarHBondContact OD1-NE2 2.65Å
50	V	97.4	Very high	97.5	Very high	39 Å²	39	47.2 Å²	47.2	24%	0.236	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.1	169.5	171.3	0	0	0	0	107.8	H48 S60 P199 I200	H48-V50 WeakPolarHBondContact CD2-CG2 3.41Å; H48-V50 VanDerWaalsContact NE2-CB 3.32Å; H48-V50 WeakPolarHBondContact NE2-CB 3.35Å; H48-V50 WeakPolarHBondContact NE2-CG2 3.11Å; H48-V50 PolarHBondContact O-N 3.09Å; V50-S60 WeakPolarHBondContact O-CB 3.3Å; V50-S60 PolarHBondContact O-N 3.48Å; V50-S60 PolarHBondContact O-OG 3.44Å; V50-P199 HydrophobicContact CG1-CG 3.86Å; V50-P199 HydrophobicContact CG2-CG 4.35Å; V50-I200 HydrophobicContact CB-CG2 4.26Å; V50-I200 HydrophobicContact CG1-CG2 4.12Å; V50-I200 HydrophobicContact CG2-CG2 4.07Å
51	K	97.9	Very high	97.5	Very high	144 Å²	144	40.9 Å²	40.9	63%	0.626	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	155	177.9	-67.3	175.6	174	-172.1	0	111.3	G57 Q58	K51-G57 WeakPolarHBondContact CB-O 3.45Å; K51-G57 WeakPolarHBondContact CD-O 3.36Å; K51-Q58 CarbonylContact C-O 3.55Å; K51-Q58 VanDerWaalsContact CA-O 3.25Å; K51-Q58 WeakPolarHBondContact CA-O 3.35Å
52	Y	96.8	Very high	97.6	Very high	14 Å²	14	38.8 Å²	38.8	6%	0.055	25%	0.245	C	C	.	.			trans	-63.4	138.9	167.3	-62.8	-49.5	0	0	0	110.5	S54 Q58 I61 P115 E121 V122 Y196	Y52-S54 VanDerWaalsContact C-N 3.27Å; Y52-S54 VanDerWaalsContact CB-O 3.22Å; Y52-S54 WeakPolarHBondContact CB-O 3.44Å; Y52-Q58 PolarHBondContact N-O 3.37Å; Y52-I61 PolarHBondContact OH-N 2.88Å; Y52-I61 PolarHBondContact OH-O 2.88Å; Y52-I61 VanDerWaalsContact OH-O 3.1Å; Y52-P115 HydrophobicContact CD1-CG 3.61Å; Y52-P115 HydrophobicContact CE1-CG 4.06Å; Y52-P115 HydrophobicContact CG-CG 3.92Å; Y52-E121 HydrophobicContact CD2-CG 4.03Å; Y52-E121 HydrophobicContact CE2-CG 3.68Å; Y52-V122 WeakPolarHBondContact CE2-O 2.99Å; Y52-V122 PolarHBondContact OH-O 2.86Å; Y52-Y196 WeakPolarHBondContact CE1-OH 3.33Å
53	G	95	Very high	97.6	Very high	94 Å²	94	35.1 Å²	35.1	97%	0.969	22%	0.219	S	C	*	.	S	Bend	trans	-81.7	-5.9	173.6	0	0	0	0	0	113.8
54	S	94.8	Very high	97.6	Very high	60 Å²	60	32.9 Å²	32.9	42%	0.42	21%	0.212	S	C	.	.	S	Bend	trans	-140.8	-179.9	177.8	64.2	0	0	0	0	109.2	Y52	Y52-S54 VanDerWaalsContact C-N 3.27Å; Y52-S54 VanDerWaalsContact CB-O 3.22Å; Y52-S54 WeakPolarHBondContact CB-O 3.44Å
55	G	95.6	Very high	97.5	Very high	39 Å²	39	35 Å²	35	40%	0.402	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	-134.4	-178.8	0	0	0	0	0	110.7	G57 F112 E121	G55-G57 VanDerWaalsContact C-N 3.29Å; G55-G57 PolarHBondContact O-N 3.39Å; G55-F112 VanDerWaalsContact C-CD1 3.47Å; G55-E121 WeakPolarHBondContact CA-OE2 3.47Å
56	S	97.7	Very high	97.4	Very high	32 Å²	32	36.9 Å²	36.9	22%	0.224	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.9	-176.6	70	0	0	0	0	114.6	Q58 H110 E121	S56-Q58 PolarHBondContact O-N 3.16Å; S56-Q58 VanDerWaalsContact OG-CB 3.25Å; S56-Q58 WeakPolarHBondContact OG-CB 3.09Å; S56-Q58 WeakPolarHBondContact OG-CG 3.38Å; S56-Q58 PolarHBondContact OG-N 3.32Å; S56-Q58 VanDerWaalsContact OG-N 3.14Å; S56-Q58 PolarHBondContact OG-OE1 2.85Å; S56-H110 WeakPolarHBondContact CB-CE1 3.42Å; S56-H110 WeakPolarHBondContact CB-NE2 3.37Å; S56-E121 WeakPolarHBondContact CB-OE1 3.45Å; S56-E121 PolarHBondContact N-OE2 2.81Å; S56-E121 PolarHBondContact OG-OE1 3.06Å
57	G	97.4	Very high	97.3	Very high	32 Å²	32	39.9 Å²	39.9	33%	0.33	26%	0.262	S	S	.	.			trans	68.8	13	-171	0	0	0	0	0	114.2	K51 G55	K51-G57 WeakPolarHBondContact CB-O 3.45Å; K51-G57 WeakPolarHBondContact CD-O 3.36Å; G55-G57 VanDerWaalsContact C-N 3.29Å; G55-G57 PolarHBondContact O-N 3.39Å
58	Q	98.3	Very high	97.2	Very high	37 Å²	37	45.9 Å²	45.9	17%	0.173	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-76.7	172.3	176.3	-67.9	174.6	-16	0	0	112.1	K51 Y52 S56 S60 H110 S123 F125	K51-Q58 CarbonylContact C-O 3.55Å; K51-Q58 VanDerWaalsContact CA-O 3.25Å; K51-Q58 WeakPolarHBondContact CA-O 3.35Å; Y52-Q58 PolarHBondContact N-O 3.37Å; S56-Q58 PolarHBondContact O-N 3.16Å; S56-Q58 VanDerWaalsContact OG-CB 3.25Å; S56-Q58 WeakPolarHBondContact OG-CB 3.09Å; S56-Q58 WeakPolarHBondContact OG-CG 3.38Å; S56-Q58 PolarHBondContact OG-N 3.32Å; S56-Q58 VanDerWaalsContact OG-N 3.14Å; S56-Q58 PolarHBondContact OG-OE1 2.85Å; Q58-S60 PolarHBondContact O-N 3.09Å; Q58-H110 PolarHBondContact OE1-CE1 3Å; Q58-S123 VanDerWaalsContact OE1-CB 3.28Å; Q58-S123 PolarHBondContact OE1-OG 2.87Å; Q58-F125 VanDerWaalsContact NE2-CD2 3.25Å
59	Q	98.6	Very high	97.3	Very high	11 Å²	11	46.9 Å²	46.9	5%	0.051	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	136	178.4	176.2	170.3	101.8	0	0	110.4	S47 H48 D49 T103 C105 S123 C124	S47-Q59 PolarHBondContact OG-OE1 3.03Å; H48-Q59 WeakPolarHBondContact O-CG 3.47Å; H48-Q59 PolarHBondContact O-NE2 2.62Å; D49-Q59 PolarHBondContact OD1-NE2 2.65Å; Q59-T103 PolarHBondContact OE1-OG1 2.82Å; Q59-C105 PolarHBondContact OE1-SG 3.4Å; Q59-S123 CarbonylContact O-C 3.56Å; Q59-S123 WeakPolarHBondContact O-CA 3.47Å; Q59-C124 HydrophobicContact CB-CB 3.86Å; Q59-C124 HydrophobicContact CG-CB 3.88Å; Q59-C124 PolarHBondContact O-N 2.98Å
60	S	98.5	Very high	97.4	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.007	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	144.4	-174.5	60.5	0	0	0	0	113.1	S47 V50 Q58	S47-S60 PolarHBondContact OG-O 3.46Å; V50-S60 WeakPolarHBondContact O-CB 3.3Å; V50-S60 PolarHBondContact O-N 3.48Å; V50-S60 PolarHBondContact O-OG 3.44Å; Q58-S60 PolarHBondContact O-N 3.09Å
61	I	98.7	Very high	97.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.6	170	-58.5	-62.3	0	0	0	108.2	L45 H46 Y52 W74 L107 V122 S123 C124 V206	L45-I61 HydrophobicContact CD1-CG2 3.44Å; L45-I61 VanDerWaalsContact CD1-CG2 3.44Å; L45-I61 HydrophobicContact CG-CG2 4.4Å; H46-I61 WeakPolarHBondContact O-CA 3.1Å; Y52-I61 PolarHBondContact OH-N 2.88Å; Y52-I61 PolarHBondContact OH-O 2.88Å; Y52-I61 VanDerWaalsContact OH-O 3.1Å; I61-W74 HydrophobicContact CD1-CH2 3.56Å; I61-W74 HydrophobicContact CD1-CZ2 4.13Å; I61-L107 HydrophobicContact CD1-CD1 4.13Å; I61-L107 HydrophobicContact CG1-CD1 4Å; I61-L107 HydrophobicContact CG2-CD1 3.91Å; I61-V122 HydrophobicContact CB-CG1 4.18Å; I61-V122 HydrophobicContact CG1-CG1 4.15Å; I61-V122 HydrophobicContact CG2-CG1 4.17Å; I61-S123 WeakPolarHBondContact CG1-O 3.29Å; I61-C124 HydrophobicContact CD1-CB 3.58Å; I61-C124 HydrophobicContact CG1-CB 4.36Å; I61-V206 HydrophobicContact CG2-CB 3.83Å; I61-V206 HydrophobicContact CG2-CG1 3.72Å; I61-V206 HydrophobicContact CG2-CG2 4.33Å
62	T	98.7	Very high	97.5	Very high	0 Å²	0	37 Å²	37	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	172.6	-170.7	66.9	0	0	0	0	112.2	H46 Y196 I200 Q203 H204 V206	H46-T62 PolarHBondContact N-O 3.2Å; H46-T62 PolarHBondContact ND1-OG1 2.72Å; H46-T62 PolarHBondContact O-N 2.8Å; T62-Y196 HydrophobicContact CG2-CD2 4.12Å; T62-Y196 HydrophobicContact CG2-CE2 3.91Å; T62-I200 HydrophobicContact CG2-CD1 3.8Å; T62-Q203 VanDerWaalsContact CB-OE1 3.31Å; T62-Q203 HydrophobicContact CG2-CB 4.31Å; T62-Q203 PolarHBondContact OG1-OE1 3.5Å; T62-H204 CarbonylContact C-O 3.53Å; T62-H204 WeakPolarHBondContact CA-O 3.24Å; T62-H204 WeakPolarHBondContact CB-O 3.44Å; T62-V206 VanDerWaalsContact C-CG2 3.48Å
63	G	98.7	Very high	97.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.7	169.4	0	0	0	0	0	112.1	R44 M191 Q203 H204	R44-G63 CarbonylContact O-C 3.56Å; R44-G63 WeakPolarHBondContact O-CA 3.23Å; G63-M191 VanDerWaalsContact CA-CE 3.44Å; G63-Q203 CarbonylContact O-C 3.48Å; G63-Q203 WeakPolarHBondContact O-CA 3.42Å; G63-H204 PolarHBondContact N-O 3.39Å; G63-H204 PolarHBondContact O-N 2.86Å
64	T	98.2	Very high	97.7	Very high	12 Å²	12	35.3 Å²	35.3	7%	0.074	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	150.1	177.2	-170.4	0	0	0	0	112.6	R43 R44 H46 S66	R43-T64 CarbonylContact C-O 3.55Å; R43-T64 VanDerWaalsContact CA-O 3.24Å; R43-T64 WeakPolarHBondContact CA-O 3.3Å; R43-T64 WeakPolarHBondContact CB-O 3.28Å; R43-T64 WeakPolarHBondContact CD-O 3.33Å; R44-T64 HydrophobicContact CB-CG2 4.32Å; R44-T64 PolarHBondContact N-O 2.96Å; R44-T64 PolarHBondContact O-N 3.5Å; H46-T64 HydrophobicContact CB-CG2 3.71Å; T64-S66 VanDerWaalsContact C-N 3.31Å; T64-S66 PolarHBondContact OG1-N 3.23Å
65	S	96.5	Very high	97.9	Very high	70 Å²	70	33.5 Å²	33.5	49%	0.49	21%	0.212	S	C	.	.			trans	-79	-17.8	167	34	0	0	0	0	112.8	R43 V67	R43-S65 PolarHBondContact NH1-OG 3Å; S65-V67 PolarHBondContact O-N 2.68Å; S65-V67 VanDerWaalsContact O-N 3.11Å
66	S	96.7	Very high	98.1	Very high	39 Å²	39	31.6 Å²	31.6	27%	0.273	19%	0.193	S	C	.	.			trans	-65.5	117.6	-173.3	-173.5	0	0	0	0	110.2	T64 D69	T64-S66 VanDerWaalsContact C-N 3.31Å; T64-S66 PolarHBondContact OG1-N 3.23Å; S66-D69 WeakPolarHBondContact OG-CB 3.06Å; S66-D69 PolarHBondContact OG-N 2.81Å
67	V	96.9	Very high	98.1	Very high	67 Å²	67	31.4 Å²	31.4	41%	0.406	19%	0.189	S	C	.	.	S	Bend	trans	-75.3	-36.2	179.1	177.6	0	0	0	0	110.5	K35 S65 E222	K35-V67 PolarHBondContact NZ-O 3.32Å; S65-V67 PolarHBondContact O-N 2.68Å; S65-V67 VanDerWaalsContact O-N 3.11Å; V67-E222 WeakPolarHBondContact CG1-OE1 3.43Å
68	T	96.8	Very high	98.2	Very high	126 Å²	126	30.2 Å²	30.2	77%	0.773	18%	0.176	S	C	*	.	S	Bend	trans	-93.4	-10.3	-171	52.9	0	0	0	0	113.8	S70	T68-S70 PolarHBondContact O-N 3.04Å
69	D	97.9	Very high	98.2	Very high	46 Å²	46	29.3 Å²	29.3	25%	0.246	17%	0.173	C	C	.	.			trans	-58.9	129	-177.4	-156.5	-36.8	0	0	0	112	K35 H46 S66 N71 S72	K35-D69 PolarHBondContact NZ-O 3.13Å; H46-D69 IonicContact NE2-OD2 3.56Å; S66-D69 WeakPolarHBondContact OG-CB 3.06Å; S66-D69 PolarHBondContact OG-N 2.81Å; D69-N71 VanDerWaalsContact C-N 3.27Å; D69-N71 PolarHBondContact O-N 3.38Å; D69-N71 VanDerWaalsContact OD1-CB 3.26Å; D69-N71 WeakPolarHBondContact OD1-CB 3.44Å; D69-N71 PolarHBondContact OD1-N 2.82Å; D69-N71 PolarHBondContact OD1-ND2 2.74Å; D69-S72 PolarHBondContact O-N 3.43Å
70	S	97.7	Very high	98.1	Very high	57 Å²	57	30.5 Å²	30.5	40%	0.399	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-72.9	-22.3	179.2	63.8	0	0	0	0	112.2	T68 S72 Y73 N102	T68-S70 PolarHBondContact O-N 3.04Å; S70-S72 PolarHBondContact O-N 2.98Å; S70-Y73 WeakPolarHBondContact O-CD2 3.36Å; S70-Y73 PolarHBondContact O-N 3.29Å; S70-N102 PolarHBondContact OG-ND2 2.93Å; S70-N102 VanDerWaalsContact OG-ND2 3.14Å
71	N	98.6	Very high	98	Very high	39 Å²	39	39.4 Å²	39.4	21%	0.209	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-71.8	7.3	174.7	-76.3	-37.8	0	0	0	114.2	H46 S47 D69 H100 N102	H46-N71 WeakPolarHBondContact CA-O 3.39Å; H46-N71 PolarHBondContact CD2-O 3.39Å; H46-N71 VanDerWaalsContact CD2-O 3.3Å; H46-N71 WeakPolarHBondContact NE2-CB 3.46Å; S47-N71 PolarHBondContact N-O 2.93Å; S47-N71 VanDerWaalsContact N-O 3.17Å; S47-N71 WeakPolarHBondContact O-CB 3.36Å; D69-N71 VanDerWaalsContact C-N 3.27Å; D69-N71 PolarHBondContact O-N 3.38Å; D69-N71 VanDerWaalsContact OD1-CB 3.26Å; D69-N71 WeakPolarHBondContact OD1-CB 3.44Å; D69-N71 PolarHBondContact OD1-N 2.82Å; D69-N71 PolarHBondContact OD1-ND2 2.74Å; N71-H100 VanDerWaalsContact C-NE2 3.35Å; N71-H100 WeakPolarHBondContact CA-NE2 3.3Å; N71-H100 PolarHBondContact O-NE2 2.84Å; N71-N102 PolarHBondContact N-ND2 3.4Å; N71-N102 PolarHBondContact OD1-ND2 2.85Å
72	S	98.7	Very high	97.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-104.8	3.4	173	-56.4	0	0	0	0	112.9	K35 L45 D69 S70	K35-S72 WeakPolarHBondContact CG-O 3.43Å; L45-S72 WeakPolarHBondContact O-CA 3.01Å; D69-S72 PolarHBondContact O-N 3.43Å; S70-S72 PolarHBondContact O-N 2.98Å
73	Y	98.7	Very high	97.8	Very high	73 Å²	73	51.8 Å²	51.8	29%	0.286	29%	0.285	S	S	.	.			trans	-88.2	127.3	179.2	-73.7	-64.2	0	0	0	112.2	V33 K35 S70 L101	V33-Y73 HydrophobicContact CG1-CD1 3.69Å; V33-Y73 HydrophobicContact CG1-CG 4.04Å; K35-Y73 HydrophobicContact CD-CD1 4.42Å; K35-Y73 HydrophobicContact CD-CE1 4.2Å; K35-Y73 HydrophobicContact CG-CD1 3.74Å; K35-Y73 HydrophobicContact CG-CE1 3.8Å; K35-Y73 HydrophobicContact CG-CG 4.47Å; S70-Y73 WeakPolarHBondContact O-CD2 3.36Å; S70-Y73 PolarHBondContact O-N 3.29Å; Y73-L101 PolarHBondContact O-N 3.26Å
74	W	98.9	Very high	97.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128	-179.9	-62	86.3	0	0	0	110.1	V33 I34 L45 I61 L98 G99 H100 L107	V33-W74 CarbonylContact C-O 3.58Å; V33-W74 WeakPolarHBondContact CA-O 3.4Å; I34-W74 PolarHBondContact N-O 2.76Å; I34-W74 PolarHBondContact O-N 3.36Å; L45-W74 HydrophobicContact CD2-CD2 4.08Å; L45-W74 HydrophobicContact CD2-CG 4.4Å; L45-W74 HydrophobicContact CD2-CZ2 3.98Å; L45-W74 HydrophobicContact CG-CZ2 3.85Å; L45-W74 PolarHBondContact O-NE1 2.75Å; I61-W74 HydrophobicContact CD1-CH2 3.56Å; I61-W74 HydrophobicContact CD1-CZ2 4.13Å; W74-L98 HydrophobicContact CE3-CB 4.03Å; W74-G99 CarbonylContact C-O 3.47Å; W74-G99 VanDerWaalsContact CA-O 3.23Å; W74-G99 WeakPolarHBondContact CA-O 3.27Å; W74-H100 HydrophobicContact CE3-CB 4.02Å; W74-H100 HydrophobicContact CH2-CB 3.79Å; W74-H100 HydrophobicContact CZ2-CB 4.38Å; W74-H100 HydrophobicContact CZ3-CB 3.61Å; W74-L107 HydrophobicContact CE3-CB 4.48Å; W74-L107 HydrophobicContact CH2-CD1 4.19Å; W74-L107 HydrophobicContact CZ3-CB 3.92Å; W74-L107 HydrophobicContact CZ3-CD1 4.39Å
75	I	98.7	Very high	97.4	Very high	22 Å²	22	59 Å²	59	11%	0.113	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	133.9	171	-172	166.6	0	0	0	110.2	T31 S32 V33 L77 G99 L101 F129	T31-I75 HydrophobicContact CG2-CD1 4.19Å; S32-I75 WeakPolarHBondContact O-CA 3.19Å; V33-I75 HydrophobicContact CG2-CB 4.35Å; V33-I75 HydrophobicContact CG2-CG1 4.38Å; I75-L77 HydrophobicContact CD1-CD2 4.06Å; I75-L77 HydrophobicContact CG1-CD2 3.95Å; I75-L77 HydrophobicContact CG1-CG 4.44Å; I75-L77 HydrophobicContact CG2-CD1 4.07Å; I75-L77 HydrophobicContact CG2-CD2 4.09Å; I75-L77 HydrophobicContact CG2-CG 3.99Å; I75-G99 WeakPolarHBondContact CG2-O 3.43Å; I75-G99 PolarHBondContact N-O 3.24Å; I75-G99 PolarHBondContact O-N 2.86Å; I75-L101 HydrophobicContact CB-CD2 3.84Å; I75-L101 HydrophobicContact CG2-CD2 3.99Å; I75-F129 HydrophobicContact CG2-CD1 4.23Å; I75-F129 HydrophobicContact CG2-CE1 3.6Å; I75-F129 HydrophobicContact CG2-CZ 3.77Å
76	V	98.7	Very high	97.3	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	119.7	174.9	-177.9	0	0	0	0	109.1	V28 T31 S32 I34 I90 I96 L98 W146	V28-V76 HydrophobicContact CG1-CG2 4Å; T31-V76 WeakPolarHBondContact CA-O 3.39Å; T31-V76 PolarHBondContact N-O 2.7Å; S32-V76 PolarHBondContact O-N 3.16Å; I34-V76 HydrophobicContact CD1-CG2 3.68Å; I34-V76 HydrophobicContact CG1-CG2 4.05Å; V76-I90 HydrophobicContact CG1-CD1 4.13Å; V76-I90 HydrophobicContact CG1-CG1 4.03Å; V76-I96 HydrophobicContact CG1-CD1 4.23Å; V76-I96 HydrophobicContact CG1-CG2 4.39Å; V76-L98 HydrophobicContact CG2-CD2 4.12Å; V76-W146 HydrophobicContact CG2-CZ3 4.46Å
77	L	98.7	Very high	97.1	Very high	27 Å²	27	60.1 Å²	60.1	14%	0.141	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	159.3	-175.5	-59.7	173.3	0	0	0	111.1	I75 I96 R97 L106 F129	I75-L77 HydrophobicContact CD1-CD2 4.06Å; I75-L77 HydrophobicContact CG1-CD2 3.95Å; I75-L77 HydrophobicContact CG1-CG 4.44Å; I75-L77 HydrophobicContact CG2-CD1 4.07Å; I75-L77 HydrophobicContact CG2-CD2 4.09Å; I75-L77 HydrophobicContact CG2-CG 3.99Å; L77-I96 WeakPolarHBondContact O-CA 3.06Å; L77-I96 WeakPolarHBondContact O-CB 3.2Å; L77-R97 HydrophobicContact CB-CB 4.25Å; L77-R97 PolarHBondContact N-O 2.94Å; L77-R97 PolarHBondContact O-N 3.46Å; L77-L106 HydrophobicContact CD1-CD2 3.78Å; L77-F129 HydrophobicContact CD1-CB 3.89Å; L77-F129 HydrophobicContact CD1-CD1 3.85Å; L77-F129 HydrophobicContact CD1-CG 3.95Å
78	A	98.3	Very high	96.9	Very high	8 Å²	8	60.2 Å²	60.2	7%	0.066	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-60.8	163.9	171.1	0	0	0	0	0	111.8	E82 C84 R97	A78-E82 HydrophobicContact CB-CB 4.31Å; A78-E82 WeakPolarHBondContact CB-O 3.48Å; A78-C84 HydrophobicContact CB-CB 4.02Å; A78-C84 VanDerWaalsContact CB-SG 3.58Å; A78-C84 PolarHBondContact N-SG 3.48Å; A78-C84 VanDerWaalsContact N-SG 3.4Å; A78-R97 WeakPolarHBondContact O-CG 3.34Å; A78-R97 PolarHBondContact O-NE 2.82Å; A78-R97 PolarHBondContact O-NH2 2.85Å
79	P	98.4	Very high	96.9	Very high	17 Å²	17	56.9 Å²	56.9	11%	0.11	28%	0.282	C	S	.	.	S	Bend	trans	-50.7	160.9	168.9	-24.8	33.3	0	0	0	113.5	K81 E82 I95 N136	P79-K81 PolarHBondContact O-N 3.4Å; P79-E82 HydrophobicContact CB-CB 4.08Å; P79-E82 HydrophobicContact CB-CG 4.16Å; P79-E82 HydrophobicContact CG-CB 4.38Å; P79-E82 PolarHBondContact O-N 2.82Å; P79-I95 HydrophobicContact CB-CG2 4.07Å; P79-I95 WeakPolarHBondContact CD-O 3.42Å; P79-I95 HydrophobicContact CG-CB 3.97Å; P79-I95 HydrophobicContact CG-CG2 3.99Å; P79-I95 VanDerWaalsContact CG-O 3.29Å; P79-I95 WeakPolarHBondContact CG-O 3.2Å; P79-N136 WeakPolarHBondContact CA-OD1 3.46Å
80	H	97.7	Very high	96.8	Very high	37 Å²	37	55.2 Å²	55.2	17%	0.171	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	131.2	175.5	179.3	73.6	0	0	0	111.4	E82 G131 D132 N136	H80-E82 PolarHBondContact O-N 3.3Å; H80-G131 PolarHBondContact CE1-O 2.87Å; H80-G131 PolarHBondContact ND1-O 2.81Å; H80-D132 WeakPolarHBondContact CB-O 2.97Å; H80-D132 WeakPolarHBondContact ND1-CA 3.39Å; H80-D132 PolarHBondContact ND1-O 2.81Å; H80-N136 PolarHBondContact N-OD1 3.33Å
81	K	95.4	Very high	96.7	Very high	188 Å²	188	59.2 Å²	59.2	82%	0.817	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	12.1	-175.2	-70.9	168.9	179.1	174.8	0	115.8	P79	P79-K81 PolarHBondContact O-N 3.4Å
82	E	97	Very high	96.6	Very high	122 Å²	122	58.8 Å²	58.8	57%	0.57	28%	0.284	S	S	*	.			trans	-111	171.8	173.8	-65.9	-175.8	-150.4	0	0	111.5	A78 P79 H80	A78-E82 HydrophobicContact CB-CB 4.31Å; A78-E82 WeakPolarHBondContact CB-O 3.48Å; P79-E82 HydrophobicContact CB-CB 4.08Å; P79-E82 HydrophobicContact CB-CG 4.16Å; P79-E82 HydrophobicContact CG-CB 4.38Å; P79-E82 PolarHBondContact O-N 2.82Å; H80-E82 PolarHBondContact O-N 3.3Å
83	T	95.7	Very high	96.3	Very high	137 Å²	137	61 Å²	61	84%	0.84	31%	0.306	S	S	*	.			trans	-133.2	148.7	176.5	62.3	0	0	0	0	109.4
84	C	95.4	Very high	96.1	Very high	35 Å²	35	59.1 Å²	59.1	24%	0.236	30%	0.304	C	S	.	.			trans	-130	150.3	171.7	53.9	0	0	0	0	108.5	C30 A78	C30-C84 HydrophobicContact CB-CB 3.72Å; C30-C84 WeakPolarHBondContact CB-SG 3.35Å; C30-C84 WeakPolarHBondContact SG-CB 3.25Å; C30-C84 PolarHBondContact SG-O 3.02Å; C30-C84 VanDerWaalsContact SG-O 3.35Å; C30-C84 CovalentContact SG-SG 2.01Å; C30-C84 PolarHBondContact SG-SG 3.49Å; A78-C84 HydrophobicContact CB-CB 4.02Å; A78-C84 VanDerWaalsContact CB-SG 3.58Å; A78-C84 PolarHBondContact N-SG 3.48Å; A78-C84 VanDerWaalsContact N-SG 3.4Å
85	M	93.7	Very high	96.1	Very high	130 Å²	130	62 Å²	62	64%	0.64	32%	0.318	S	S	*	.			trans	-75.7	141.4	-179.7	-69.4	-178.6	-75	0	0	110.1	C30 G87 E88	C30-M85 WeakPolarHBondContact CB-O 3.41Å; M85-G87 PolarHBondContact O-N 2.77Å; M85-E88 HydrophobicContact CB-CB 4.23Å; M85-E88 PolarHBondContact N-OE2 2.9Å; M85-E88 WeakPolarHBondContact O-CB 3.18Å; M85-E88 PolarHBondContact O-N 3.45Å
86	R	94	Very high	96	Very high	131 Å²	131	61 Å²	61	49%	0.494	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	130	173.2	179	-179.6	69.3	-115.2	2	110	T31 E88 F226 P229	T31-R86 HydrophobicContact CG2-CG 4.39Å; R86-E88 PolarHBondContact O-N 3.28Å; R86-F226 HydrophobicContact CG-CB 3.8Å; R86-F226 HydrophobicContact CG-CD1 4.11Å; R86-F226 HydrophobicContact CG-CD2 4.31Å; R86-F226 HydrophobicContact CG-CG 3.81Å; R86-P229 VanDerWaalsContact O-CD 3.3Å; R86-P229 WeakPolarHBondContact O-CD 3.49Å
87	G	93	Very high	96	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.01	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	79	0.5	179.7	0	0	0	0	0	114.4	T29 C30 M85 F226 K228	T29-G87 VanDerWaalsContact CG2-O 3.3Å; T29-G87 WeakPolarHBondContact CG2-O 3.3Å; C30-G87 PolarHBondContact O-N 2.86Å; M85-G87 PolarHBondContact O-N 2.77Å; G87-F226 WeakPolarHBondContact CA-O 3.21Å; G87-K228 WeakPolarHBondContact O-CG 3.39Å
88	E	94.1	Very high	96.1	Very high	69 Å²	69	61 Å²	61	32%	0.322	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-64.8	133	170.3	-171.9	176.7	167.5	0	0	111.3	T29 C30 M85 R86	T29-E88 CarbonylContact C-O 3.55Å; T29-E88 WeakPolarHBondContact CA-O 3.3Å; T29-E88 VanDerWaalsContact CB-O 3.23Å; T29-E88 WeakPolarHBondContact CB-O 3.35Å; C30-E88 HydrophobicContact CB-CB 4.26Å; C30-E88 PolarHBondContact N-O 3.35Å; M85-E88 HydrophobicContact CB-CB 4.23Å; M85-E88 PolarHBondContact N-OE2 2.9Å; M85-E88 WeakPolarHBondContact O-CB 3.18Å; M85-E88 PolarHBondContact O-N 3.45Å; R86-E88 PolarHBondContact O-N 3.28Å
89	E	95.3	Very high	96.1	Very high	55 Å²	55	60.6 Å²	60.6	26%	0.257	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-74.1	136.5	-174.7	-62.9	165.2	136	0	0	111.5	T25 A27 T29 V145 K228	T25-E89 WeakPolarHBondContact CB-OE1 3.45Å; T25-E89 WeakPolarHBondContact CG2-OE1 3.08Å; T25-E89 PolarHBondContact OG1-OE1 2.83Å; A27-E89 HydrophobicContact CB-CB 4.27Å; A27-E89 HydrophobicContact CB-CG 4Å; T29-E89 HydrophobicContact CG2-CG 4.13Å; E89-V145 HydrophobicContact CB-CG1 4.41Å; E89-K228 IonicContact OE2-NZ 3.71Å
90	I	96.7	Very high	96.1	Very high	11 Å²	11	59.8 Å²	59.8	6%	0.056	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-84.2	117.5	176.8	-55.6	-54.9	0	0	0	108.8	V28 C30 V76 S94 I96 V139 V145 W146	V28-I90 PolarHBondContact O-N 3.16Å; C30-I90 HydrophobicContact CB-CD1 4.21Å; V76-I90 HydrophobicContact CG1-CD1 4.13Å; V76-I90 HydrophobicContact CG1-CG1 4.03Å; I90-S94 VanDerWaalsContact CG2-OG 3.28Å; I90-S94 WeakPolarHBondContact CG2-OG 3.39Å; I90-I96 HydrophobicContact CD1-CG2 4.08Å; I90-I96 HydrophobicContact CG2-CG2 3.77Å; I90-V139 HydrophobicContact CG2-CG2 3.93Å; I90-V145 WeakPolarHBondContact O-CA 3.42Å; I90-W146 HydrophobicContact CB-CB 4.49Å; I90-W146 HydrophobicContact CB-CE3 4.33Å; I90-W146 HydrophobicContact CG2-CE3 4.02Å; I90-W146 PolarHBondContact O-N 3.34Å
91	K	96	Very high	96.1	Very high	142 Å²	142	60.6 Å²	60.6	62%	0.617	31%	0.308	S	S	*	.	B	Isolated β-bridge	trans	-79.2	147.2	178.9	-65.1	-175.3	179.8	-176.9	0	111.3	G93 S94 E144	K91-G93 PolarHBondContact O-N 2.83Å; K91-S94 PolarHBondContact N-OG 2.86Å; K91-S94 VanDerWaalsContact O-CB 3.3Å; K91-S94 WeakPolarHBondContact O-CB 3.49Å; K91-S94 PolarHBondContact O-N 2.92Å; K91-S94 VanDerWaalsContact O-N 3.09Å; K91-S94 PolarHBondContact O-OG 2.82Å; K91-E144 WeakPolarHBondContact CA-O 3.47Å
92	C	95.3	Very high	96.3	Very high	30 Å²	30	55.7 Å²	55.7	20%	0.203	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	137.4	167.6	-61.2	0	0	0	0	109.1	S94 C141 G143 E144 V145	C92-S94 VanDerWaalsContact C-N 3.3Å; C92-S94 PolarHBondContact O-N 2.77Å; C92-C141 WeakPolarHBondContact CA-SG 3.41Å; C92-C141 HydrophobicContact CB-CB 4.29Å; C92-C141 WeakPolarHBondContact CB-SG 3.31Å; C92-C141 VanDerWaalsContact SG-C 3.56Å; C92-C141 WeakPolarHBondContact SG-CB 3.23Å; C92-C141 PolarHBondContact SG-O 3.49Å; C92-C141 CovalentContact SG-SG 2.04Å; C92-C141 PolarHBondContact SG-SG 3.42Å; C92-G143 WeakPolarHBondContact CB-O 3.3Å; C92-G143 PolarHBondContact SG-O 2.9Å; C92-G143 VanDerWaalsContact SG-O 3.36Å; C92-E144 PolarHBondContact N-O 3.19Å; C92-V145 PolarHBondContact SG-O 3.01Å
93	G	92.7	Very high	96.4	Very high	45 Å²	45	51.1 Å²	51.1	46%	0.464	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	-6.5	-172	0	0	0	0	0	115.3	K91 V139	K91-G93 PolarHBondContact O-N 2.83Å; G93-V139 WeakPolarHBondContact CA-O 3.36Å; G93-V139 PolarHBondContact N-O 2.83Å
94	S	95.4	Very high	96.5	Very high	35 Å²	35	49.1 Å²	49.1	25%	0.245	25%	0.251	C	S	.	.			trans	-73.5	157.1	174.6	65.9	0	0	0	0	112.2	I90 K91 C92 M138 V139	I90-S94 VanDerWaalsContact CG2-OG 3.28Å; I90-S94 WeakPolarHBondContact CG2-OG 3.39Å; K91-S94 PolarHBondContact N-OG 2.86Å; K91-S94 VanDerWaalsContact O-CB 3.3Å; K91-S94 WeakPolarHBondContact O-CB 3.49Å; K91-S94 PolarHBondContact O-N 2.92Å; K91-S94 VanDerWaalsContact O-N 3.09Å; K91-S94 PolarHBondContact O-OG 2.82Å; C92-S94 VanDerWaalsContact C-N 3.3Å; C92-S94 PolarHBondContact O-N 2.77Å; S94-M138 WeakPolarHBondContact O-CA 3.42Å; S94-V139 PolarHBondContact O-N 3.42Å
95	I	97.1	Very high	96.7	Very high	60 Å²	60	47.5 Å²	47.5	31%	0.308	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	137.8	174.8	-60	171.3	0	0	0	108.3	P79 N136 W137 V157	P79-I95 HydrophobicContact CB-CG2 4.07Å; P79-I95 WeakPolarHBondContact CD-O 3.42Å; P79-I95 HydrophobicContact CG-CB 3.97Å; P79-I95 HydrophobicContact CG-CG2 3.99Å; P79-I95 VanDerWaalsContact CG-O 3.29Å; P79-I95 WeakPolarHBondContact CG-O 3.2Å; I95-N136 HydrophobicContact CG2-CB 3.7Å; I95-W137 WeakPolarHBondContact CA-O 3.41Å; I95-V157 HydrophobicContact CD1-CG1 4.47Å; I95-V157 HydrophobicContact CD1-CG2 4.17Å; I95-V157 HydrophobicContact CG1-CG2 4.11Å; I95-V157 HydrophobicContact CG2-CG2 4.12Å
96	I	98.5	Very high	96.9	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	173.5	175.3	64.9	169.3	0	0	0	110.2	V76 L77 I90 L98 W137 V139 W146 F154	V76-I96 HydrophobicContact CG1-CD1 4.23Å; V76-I96 HydrophobicContact CG1-CG2 4.39Å; L77-I96 WeakPolarHBondContact O-CA 3.06Å; L77-I96 WeakPolarHBondContact O-CB 3.2Å; I90-I96 HydrophobicContact CD1-CG2 4.08Å; I90-I96 HydrophobicContact CG2-CG2 3.77Å; I96-L98 HydrophobicContact CD1-CD2 4.08Å; I96-L98 HydrophobicContact CD1-CG 4.27Å; I96-W137 PolarHBondContact N-O 2.95Å; I96-W137 PolarHBondContact O-N 3.29Å; I96-V139 HydrophobicContact CB-CG2 4.44Å; I96-V139 HydrophobicContact CD1-CG2 3.59Å; I96-V139 HydrophobicContact CG1-CG2 3.67Å; I96-V139 HydrophobicContact CG2-CG2 3.98Å; I96-W146 HydrophobicContact CD1-CE3 4.48Å; I96-W146 HydrophobicContact CD1-CZ3 3.72Å; I96-F154 HydrophobicContact CD1-CD1 4.44Å; I96-F154 HydrophobicContact CD1-CE1 3.99Å
97	R	98.8	Very high	97.1	Very high	25 Å²	25	35 Å²	35	9%	0.094	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	150.5	160.8	-56.6	-178.4	-74.1	144.6	-0.4	109.6	L77 A78 L106 F129 D135	L77-R97 HydrophobicContact CB-CB 4.25Å; L77-R97 PolarHBondContact N-O 2.94Å; L77-R97 PolarHBondContact O-N 3.46Å; A78-R97 WeakPolarHBondContact O-CG 3.34Å; A78-R97 PolarHBondContact O-NE 2.82Å; A78-R97 PolarHBondContact O-NH2 2.85Å; R97-L106 HydrophobicContact CB-CD2 4.13Å; R97-L106 VanDerWaalsContact NH1-CD1 3.34Å; R97-F129 PolarHBondContact NH1-O 2.83Å; R97-F129 VanDerWaalsContact NH1-O 3.07Å; R97-D135 HydrophobicContact CG-CB 4.1Å; R97-D135 WeakPolarHBondContact CG-O 3.32Å
98	L	98.9	Very high	97.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	112.7	175.7	-68.2	170.8	0	0	0	109.1	I34 L36 W74 V76 I96 L106 L107 F154	I34-L98 HydrophobicContact CD1-CD2 4.42Å; L36-L98 HydrophobicContact CD1-CD1 3.76Å; W74-L98 HydrophobicContact CE3-CB 4.03Å; V76-L98 HydrophobicContact CG2-CD2 4.12Å; I96-L98 HydrophobicContact CD1-CD2 4.08Å; I96-L98 HydrophobicContact CD1-CG 4.27Å; L98-L106 CarbonylContact O-C 3.53Å; L98-L106 WeakPolarHBondContact O-CA 3.35Å; L98-L107 HydrophobicContact CB-CB 3.98Å; L98-L107 HydrophobicContact CB-CD2 4.39Å; L98-L107 HydrophobicContact CD1-CD2 3.81Å; L98-L107 PolarHBondContact O-N 2.85Å; L98-F154 HydrophobicContact CD1-CE1 4.38Å; L98-F154 HydrophobicContact CD1-CZ 4.4Å
99	G	98.9	Very high	97.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.7	179.9	0	0	0	0	0	112.4	W74 I75 L101 C105	W74-G99 CarbonylContact C-O 3.47Å; W74-G99 VanDerWaalsContact CA-O 3.23Å; W74-G99 WeakPolarHBondContact CA-O 3.27Å; I75-G99 WeakPolarHBondContact CG2-O 3.43Å; I75-G99 PolarHBondContact N-O 3.24Å; I75-G99 PolarHBondContact O-N 2.86Å; G99-L101 PolarHBondContact O-N 2.84Å; G99-C105 CarbonylContact C-O 3.53Å; G99-C105 WeakPolarHBondContact CA-O 3.28Å
100	H	98.9	Very high	97.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	121.1	173.8	-174.9	-133	0	0	0	110	S47 N71 W74 N102 T103 K104 C105	S47-H100 PolarHBondContact O-CE1 3.48Å; S47-H100 PolarHBondContact O-NE2 2.81Å; N71-H100 VanDerWaalsContact C-NE2 3.35Å; N71-H100 WeakPolarHBondContact CA-NE2 3.3Å; N71-H100 PolarHBondContact O-NE2 2.84Å; W74-H100 HydrophobicContact CE3-CB 4.02Å; W74-H100 HydrophobicContact CH2-CB 3.79Å; W74-H100 HydrophobicContact CZ2-CB 4.38Å; W74-H100 HydrophobicContact CZ3-CB 3.61Å; H100-N102 PolarHBondContact O-N 3.29Å; H100-T103 PolarHBondContact ND1-OG1 2.82Å; H100-K104 WeakPolarHBondContact O-CA 3.3Å; H100-K104 PolarHBondContact O-N 3.08Å; H100-C105 PolarHBondContact N-O 3Å
101	L	98.4	Very high	97.4	Very high	55 Å²	55	37.8 Å²	37.8	29%	0.288	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-44.8	-170.6	-84	-167.5	0	0	0	113.9	V33 Y73 I75 G99 F129	V33-L101 HydrophobicContact CB-CD1 4.33Å; V33-L101 HydrophobicContact CG1-CD1 3.41Å; V33-L101 VanDerWaalsContact CG1-CD1 3.41Å; V33-L101 HydrophobicContact CG1-CG 4.22Å; V33-L101 HydrophobicContact CG2-CD1 3.92Å; V33-L101 HydrophobicContact CG2-CD2 4.39Å; Y73-L101 PolarHBondContact O-N 3.26Å; I75-L101 HydrophobicContact CB-CD2 3.84Å; I75-L101 HydrophobicContact CG2-CD2 3.99Å; G99-L101 PolarHBondContact O-N 2.84Å; L101-F129 HydrophobicContact CD2-CZ 4.28Å
102	N	98.5	Very high	97.4	Very high	84 Å²	84	35.7 Å²	35.7	45%	0.449	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-40.4	-170.9	-74.7	-13.3	0	0	0	112.3	S70 N71 H100	S70-N102 PolarHBondContact OG-ND2 2.93Å; S70-N102 VanDerWaalsContact OG-ND2 3.14Å; N71-N102 PolarHBondContact N-ND2 3.4Å; N71-N102 PolarHBondContact OD1-ND2 2.85Å; H100-N102 PolarHBondContact O-N 3.29Å
103	T	98.4	Very high	97.4	Very high	26 Å²	26	41.7 Å²	41.7	16%	0.16	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-9.4	-177.6	61.6	0	0	0	0	113.3	Q59 H100 C105	Q59-T103 PolarHBondContact OE1-OG1 2.82Å; H100-T103 PolarHBondContact ND1-OG1 2.82Å; T103-C105 PolarHBondContact O-N 2.8Å; T103-C105 VanDerWaalsContact O-N 3.15Å; T103-C105 PolarHBondContact OG1-SG 2.01Å
104	K	98.6	Very high	97.6	Very high	95 Å²	95	39.8 Å²	39.8	41%	0.413	20%	0.196	S	C	.	.			trans	56.4	22.7	-179.7	-50	-178	-178.9	-170.6	0	114.5	H100 K127 N128 F129	H100-K104 WeakPolarHBondContact O-CA 3.3Å; H100-K104 PolarHBondContact O-N 3.08Å; K104-K127 CarbonylContact O-C 3.46Å; K104-K127 VanDerWaalsContact O-C 3.28Å; K104-N128 WeakPolarHBondContact CD-OD1 3.37Å; K104-N128 PolarHBondContact O-N 3.35Å; K104-F129 HydrophobicContact CB-CD1 4.42Å; K104-F129 HydrophobicContact CB-CE1 4.14Å; K104-F129 HydrophobicContact CB-CE2 4.32Å; K104-F129 HydrophobicContact CB-CZ 4.08Å; K104-F129 HydrophobicContact CD-CE2 4.47Å; K104-F129 HydrophobicContact CG-CE2 4.22Å; K104-F129 HydrophobicContact CG-CZ 4.03Å; K104-F129 PolarHBondContact O-N 2.83Å
105	C	98.7	Very high	97.6	Very high	1 Å²	1	40 Å²	40	1%	0.007	20%	0.197	C	C	.	.			trans	-84.3	174.6	166.6	53.5	0	0	0	0	110.2	Q59 G99 H100 T103 C124 F125 G126	Q59-C105 PolarHBondContact OE1-SG 3.4Å; G99-C105 CarbonylContact C-O 3.53Å; G99-C105 WeakPolarHBondContact CA-O 3.28Å; H100-C105 PolarHBondContact N-O 3Å; T103-C105 PolarHBondContact O-N 2.8Å; T103-C105 VanDerWaalsContact O-N 3.15Å; T103-C105 PolarHBondContact OG1-SG 2.01Å; C105-C124 HydrophobicContact CB-CB 3.88Å; C105-C124 WeakPolarHBondContact CB-SG 3.25Å; C105-C124 WeakPolarHBondContact SG-CB 3.48Å; C105-C124 CovalentContact SG-SG 2.01Å; C105-C124 PolarHBondContact SG-SG 2.98Å; C105-F125 CarbonylContact C-O 3.17Å; C105-F125 VanDerWaalsContact CA-O 3.27Å; C105-F125 WeakPolarHBondContact CA-O 3.32Å; C105-F125 WeakPolarHBondContact CB-O 3.09Å; C105-G126 VanDerWaalsContact CB-O 3.26Å; C105-G126 WeakPolarHBondContact CB-O 3.01Å
106	L	98.9	Very high	97.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	144.4	-178.5	-64.1	160	0	0	0	109.4	L77 R97 L98 H108 C124 F125 F129 D135	L77-L106 HydrophobicContact CD1-CD2 3.78Å; R97-L106 HydrophobicContact CB-CD2 4.13Å; R97-L106 VanDerWaalsContact NH1-CD1 3.34Å; L98-L106 CarbonylContact O-C 3.53Å; L98-L106 WeakPolarHBondContact O-CA 3.35Å; L106-H108 PolarHBondContact O-N 2.78Å; L106-C124 CarbonylContact O-C 3.51Å; L106-C124 WeakPolarHBondContact O-CA 3.49Å; L106-F125 PolarHBondContact N-O 3.36Å; L106-F125 PolarHBondContact O-N 2.87Å; L106-F129 HydrophobicContact CD2-CB 4.48Å; L106-F129 HydrophobicContact CD2-CD1 4.33Å; L106-D135 HydrophobicContact CB-CB 3.92Å; L106-D135 HydrophobicContact CD1-CB 4.11Å; L106-D135 WeakPolarHBondContact CD1-OD2 3.37Å
107	L	98.9	Very high	97.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	119.6	170.3	-173.2	73.2	0	0	0	108.6	L45 I61 W74 L98 V122 W137 L189	L45-L107 HydrophobicContact CD1-CD1 4.49Å; L45-L107 HydrophobicContact CD2-CD1 4.33Å; L45-L107 HydrophobicContact CD2-CD2 4.29Å; I61-L107 HydrophobicContact CD1-CD1 4.13Å; I61-L107 HydrophobicContact CG1-CD1 4Å; I61-L107 HydrophobicContact CG2-CD1 3.91Å; W74-L107 HydrophobicContact CE3-CB 4.48Å; W74-L107 HydrophobicContact CH2-CD1 4.19Å; W74-L107 HydrophobicContact CZ3-CB 3.92Å; W74-L107 HydrophobicContact CZ3-CD1 4.39Å; L98-L107 HydrophobicContact CB-CB 3.98Å; L98-L107 HydrophobicContact CB-CD2 4.39Å; L98-L107 HydrophobicContact CD1-CD2 3.81Å; L98-L107 PolarHBondContact O-N 2.85Å; L107-V122 HydrophobicContact CD1-CG1 3.51Å; L107-V122 HydrophobicContact CG-CG1 4.15Å; L107-W137 HydrophobicContact CD2-CD2 4.43Å; L107-W137 HydrophobicContact CD2-CZ2 4.13Å; L107-W137 HydrophobicContact CG-CZ2 4.08Å; L107-W137 PolarHBondContact O-NE1 3.15Å; L107-L189 HydrophobicContact CD2-CD1 4.11Å; L107-L189 HydrophobicContact CD2-CD2 3.7Å
108	H	98.7	Very high	97.2	Very high	8 Å²	8	43.5 Å²	43.5	4%	0.037	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	151.9	-166	-175.6	86.3	0	0	0	111.3	L106 H110 V122 S123 F125 D132 G134 D135	L106-H108 PolarHBondContact O-N 2.78Å; H108-H110 AromaticContact CD2-ND1 3.99Å; H108-H110 AromaticContact NE2-CG 3.89Å; H108-H110 AromaticContact NE2-ND1 3.67Å; H108-V122 WeakPolarHBondContact O-CA 3.28Å; H108-S123 PolarHBondContact N-O 3.46Å; H108-S123 PolarHBondContact O-N 3.07Å; H108-F125 HydrophobicContact CB-CB 3.38Å; H108-F125 HydrophobicContact CB-CG 4.45Å; H108-F125 AromaticContact CE1-CD1 3.83Å; H108-F125 AromaticContact CG-CG 3.97Å; H108-F125 AromaticContact ND1-CD1 3.62Å; H108-F125 AromaticContact ND1-CG 3.81Å; H108-D132 IonicContact CE1-OD1 3.33Å; H108-D132 PolarHBondContact CE1-OD1 2.86Å; H108-D132 IonicContact ND1-OD1 3.6Å; H108-G134 WeakPolarHBondContact CA-O 3.37Å; H108-G134 VanDerWaalsContact ND1-C 3.29Å; H108-G134 PolarHBondContact ND1-O 3.1Å; H108-D135 WeakPolarHBondContact CB-OD1 3.42Å; H108-D135 IonicContact CE1-OD1 3.79Å; H108-D135 IonicContact CG-OD1 3.9Å; H108-D135 IonicContact ND1-OD1 3.49Å; H108-D135 PolarHBondContact ND1-OD1 3.38Å
109	S	97.8	Very high	97	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.014	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	157.1	168.5	-163.2	0	0	0	0	112	Q120 E121 G134 H156	S109-Q120 PolarHBondContact OG-NE2 2.87Å; S109-E121 PolarHBondContact OG-O 3.42Å; S109-G134 PolarHBondContact N-O 3.21Å; S109-G134 VanDerWaalsContact N-O 3.07Å; S109-H156 VanDerWaalsContact C-CE1 3.5Å; S109-H156 PolarHBondContact O-CE1 2.55Å; S109-H156 PolarHBondContact O-NE2 2.85Å
110	H	94.8	Very high	96.9	Very high	30 Å²	30	46.8 Å²	46.8	14%	0.139	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	177.8	-173.5	54.4	-175.5	0	0	0	109.9	S56 Q58 H108 F112 Q120 E121	S56-H110 WeakPolarHBondContact CB-CE1 3.42Å; S56-H110 WeakPolarHBondContact CB-NE2 3.37Å; Q58-H110 PolarHBondContact OE1-CE1 3Å; H108-H110 AromaticContact CD2-ND1 3.99Å; H108-H110 AromaticContact NE2-CG 3.89Å; H108-H110 AromaticContact NE2-ND1 3.67Å; H110-F112 HydrophobicContact CB-CD2 4.48Å; H110-F112 AromaticContact CD2-CD2 3.62Å; H110-F112 AromaticContact CE1-CD2 3.5Å; H110-F112 AromaticContact CE1-CE2 3.97Å; H110-F112 AromaticContact CG-CD2 3.63Å; H110-F112 AromaticContact ND1-CD2 3.52Å; H110-F112 AromaticContact ND1-CE2 3.84Å; H110-F112 AromaticContact NE2-CD2 3.55Å; H110-F112 AromaticContact NE2-CG 3.94Å; H110-F112 PolarHBondContact O-N 2.92Å; H110-Q120 WeakPolarHBondContact O-CG 3.43Å; H110-Q120 PolarHBondContact O-NE2 2.94Å; H110-E121 IonicContact CD2-OE1 3.6Å; H110-E121 IonicContact CE1-OE1 3.67Å; H110-E121 IonicContact NE2-OE1 2.77Å; H110-E121 PolarHBondContact NE2-OE1 2.84Å
111	L	92.9	Very high	96.8	Very high	153 Å²	153	46.8 Å²	46.8	80%	0.801	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	52	-175.2	-59.2	179.3	0	0	0	113.6	T159	L111-T159 HydrophobicContact CD2-CG2 3.81Å; L111-T159 HydrophobicContact CG-CG2 4.28Å
112	F	95.9	Very high	96.9	Very high	98 Å²	98	44.1 Å²	44.1	43%	0.43	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	154.7	168.6	-76.8	-96	0	0	0	110.6	G55 H110 E121	G55-F112 VanDerWaalsContact C-CD1 3.47Å; H110-F112 HydrophobicContact CB-CD2 4.48Å; H110-F112 AromaticContact CD2-CD2 3.62Å; H110-F112 AromaticContact CE1-CD2 3.5Å; H110-F112 AromaticContact CE1-CE2 3.97Å; H110-F112 AromaticContact CG-CD2 3.63Å; H110-F112 AromaticContact ND1-CD2 3.52Å; H110-F112 AromaticContact ND1-CE2 3.84Å; H110-F112 AromaticContact NE2-CD2 3.55Å; H110-F112 AromaticContact NE2-CG 3.94Å; H110-F112 PolarHBondContact O-N 2.92Å; F112-E121 HydrophobicContact CB-CB 3.97Å; F112-E121 WeakPolarHBondContact O-CB 3.29Å; F112-E121 PolarHBondContact O-N 3.39Å
113	K	95.8	Very high	96.9	Very high	156 Å²	156	40.1 Å²	40.1	68%	0.678	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	134.4	175	-67	-174.4	178.8	-178.5	0	110.8	S119	K113-S119 CarbonylContact C-O 3.59Å; K113-S119 WeakPolarHBondContact CA-O 3.48Å
114	S	96.3	Very high	96.9	Very high	5 Å²	5	39.2 Å²	39.2	4%	0.035	21%	0.209	C	C	.	.			trans	-64.8	144	170.8	56.8	0	0	0	0	111.1	L116 S117 G118 S119 E205	S114-L116 PolarHBondContact O-N 2.79Å; S114-S117 PolarHBondContact OG-OG 2.94Å; S114-G118 WeakPolarHBondContact O-CA 3.44Å; S114-G118 PolarHBondContact O-N 2.73Å; S114-G118 PolarHBondContact OG-N 2.79Å; S114-S119 WeakPolarHBondContact CB-O 3.16Å; S114-S119 PolarHBondContact N-O 2.95Å; S114-S119 WeakPolarHBondContact OG-CA 3.37Å; S114-S119 PolarHBondContact OG-N 3.4Å; S114-S119 PolarHBondContact OG-O 3.43Å; S114-E205 WeakPolarHBondContact CB-OE1 3.26Å; S114-E205 PolarHBondContact OG-OE1 3.5Å
115	P	95.2	Very high	96.9	Very high	41 Å²	41	37.5 Å²	37.5	27%	0.266	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-27.3	-169	-24.7	33.6	0	0	0	116.7	Y52 Y196	Y52-P115 HydrophobicContact CD1-CG 3.61Å; Y52-P115 HydrophobicContact CE1-CG 4.06Å; Y52-P115 HydrophobicContact CG-CG 3.92Å; P115-Y196 HydrophobicContact CB-CE1 4.11Å; P115-Y196 HydrophobicContact CG-CE1 4.3Å
116	L	97	Very high	96.8	Very high	74 Å²	74	38.5 Å²	38.5	39%	0.387	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-48.7	-171.7	-57.3	-174.1	0	0	0	112.4	S114 N194 Y196 E205	S114-L116 PolarHBondContact O-N 2.79Å; L116-N194 HydrophobicContact CB-CB 3.95Å; L116-N194 HydrophobicContact CD1-CB 3.96Å; L116-Y196 HydrophobicContact CD1-CD1 3.75Å; L116-Y196 HydrophobicContact CD1-CD2 4.17Å; L116-Y196 HydrophobicContact CD1-CE1 3.81Å; L116-Y196 HydrophobicContact CD1-CE2 4.24Å; L116-Y196 HydrophobicContact CD1-CG 3.92Å; L116-Y196 HydrophobicContact CD2-CD1 4.09Å; L116-Y196 HydrophobicContact CD2-CE1 4.09Å; L116-Y196 HydrophobicContact CG-CD1 3.99Å; L116-Y196 HydrophobicContact CG-CE1 3.68Å; L116-E205 HydrophobicContact CD1-CB 4.17Å; L116-E205 PolarHBondContact N-OE1 2.93Å
117	S	96.4	Very high	96.8	Very high	44 Å²	44	43.9 Å²	43.9	31%	0.308	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-19.4	-178.6	62.8	0	0	0	0	114.1	S114 S119 E205	S114-S117 PolarHBondContact OG-OG 2.94Å; S117-S119 PolarHBondContact O-N 3.37Å; S117-S119 VanDerWaalsContact OG-CB 3.31Å; S117-S119 WeakPolarHBondContact OG-CB 3.44Å; S117-S119 PolarHBondContact OG-N 3.11Å; S117-S119 PolarHBondContact OG-OG 3.08Å; S117-E205 WeakPolarHBondContact CB-OE2 3.5Å; S117-E205 PolarHBondContact N-OE1 2.96Å; S117-E205 PolarHBondContact N-OE2 3.14Å; S117-E205 VanDerWaalsContact OG-CD 3.29Å; S117-E205 PolarHBondContact OG-OE1 2.84Å; S117-E205 PolarHBondContact OG-OE2 3.4Å
118	G	94.1	Very high	96.7	Very high	41 Å²	41	49 Å²	49	42%	0.423	26%	0.262	S	S	.	.			trans	72	5.8	-170.3	0	0	0	0	0	114.4	S114	S114-G118 WeakPolarHBondContact O-CA 3.44Å; S114-G118 PolarHBondContact O-N 2.73Å; S114-G118 PolarHBondContact OG-N 2.79Å
119	S	94.8	Very high	96.7	Very high	35 Å²	35	51.2 Å²	51.2	25%	0.245	27%	0.272	C	S	.	.	S	Bend	trans	-64.6	-178	168.8	-50.4	0	0	0	0	111	K113 S114 S117	K113-S119 CarbonylContact C-O 3.59Å; K113-S119 WeakPolarHBondContact CA-O 3.48Å; S114-S119 WeakPolarHBondContact CB-O 3.16Å; S114-S119 PolarHBondContact N-O 2.95Å; S114-S119 WeakPolarHBondContact OG-CA 3.37Å; S114-S119 PolarHBondContact OG-N 3.4Å; S114-S119 PolarHBondContact OG-O 3.43Å; S117-S119 PolarHBondContact O-N 3.37Å; S117-S119 VanDerWaalsContact OG-CB 3.31Å; S117-S119 WeakPolarHBondContact OG-CB 3.44Å; S117-S119 PolarHBondContact OG-N 3.11Å; S117-S119 PolarHBondContact OG-OG 3.08Å
120	Q	95.7	Very high	96.7	Very high	34 Å²	34	57 Å²	57	16%	0.159	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	134.8	177.5	-179.8	-179.7	-23.4	0	0	111.8	S109 H110 T159 S187 C207 A208	S109-Q120 PolarHBondContact OG-NE2 2.87Å; H110-Q120 WeakPolarHBondContact O-CG 3.43Å; H110-Q120 PolarHBondContact O-NE2 2.94Å; Q120-T159 PolarHBondContact NE2-OG1 3.06Å; Q120-T159 PolarHBondContact OE1-OG1 3.17Å; Q120-S187 PolarHBondContact OE1-OG 2.8Å; Q120-C207 CarbonylContact O-C 3.59Å; Q120-C207 WeakPolarHBondContact O-CA 3.32Å; Q120-C207 VanDerWaalsContact O-CB 3.3Å; Q120-C207 WeakPolarHBondContact O-CB 2.9Å; Q120-A208 HydrophobicContact CB-CB 3.83Å; Q120-A208 HydrophobicContact CG-CB 4.02Å; Q120-A208 PolarHBondContact N-O 2.81Å; Q120-A208 PolarHBondContact O-N 3.29Å
121	E	97.9	Very high	96.9	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	136.7	-177.4	-166.7	-172.6	82.6	0	0	111.8	Y52 G55 S56 S109 H110 F112	Y52-E121 HydrophobicContact CD2-CG 4.03Å; Y52-E121 HydrophobicContact CE2-CG 3.68Å; G55-E121 WeakPolarHBondContact CA-OE2 3.47Å; S56-E121 WeakPolarHBondContact CB-OE1 3.45Å; S56-E121 PolarHBondContact N-OE2 2.81Å; S56-E121 PolarHBondContact OG-OE1 3.06Å; S109-E121 PolarHBondContact OG-O 3.42Å; H110-E121 IonicContact CD2-OE1 3.6Å; H110-E121 IonicContact CE1-OE1 3.67Å; H110-E121 IonicContact NE2-OE1 2.77Å; H110-E121 PolarHBondContact NE2-OE1 2.84Å; F112-E121 HydrophobicContact CB-CB 3.97Å; F112-E121 WeakPolarHBondContact O-CB 3.29Å; F112-E121 PolarHBondContact O-N 3.39Å
122	V	98.7	Very high	97.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.1	164.1	173.2	0	0	0	0	107.6	Y52 I61 L107 H108 W137 L189 V206 C207 A208	Y52-V122 WeakPolarHBondContact CE2-O 2.99Å; Y52-V122 PolarHBondContact OH-O 2.86Å; I61-V122 HydrophobicContact CB-CG1 4.18Å; I61-V122 HydrophobicContact CG1-CG1 4.15Å; I61-V122 HydrophobicContact CG2-CG1 4.17Å; L107-V122 HydrophobicContact CD1-CG1 3.51Å; L107-V122 HydrophobicContact CG-CG1 4.15Å; H108-V122 WeakPolarHBondContact O-CA 3.28Å; V122-W137 HydrophobicContact CG1-CZ2 4.49Å; V122-W137 HydrophobicContact CG2-CH2 4Å; V122-W137 HydrophobicContact CG2-CZ2 4.44Å; V122-L189 HydrophobicContact CB-CD1 4.39Å; V122-L189 HydrophobicContact CG1-CD1 3.79Å; V122-L189 HydrophobicContact CG2-CD1 4Å; V122-V206 HydrophobicContact CB-CG1 4.34Å; V122-V206 HydrophobicContact CG1-CG1 4.17Å; V122-C207 VanDerWaalsContact CG2-C 3.5Å; V122-A208 HydrophobicContact CG2-CB 3.95Å
123	S	98.7	Very high	97.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	173.6	-171.7	61.8	0	0	0	0	110.5	Q58 Q59 I61 H108	Q58-S123 VanDerWaalsContact OE1-CB 3.28Å; Q58-S123 PolarHBondContact OE1-OG 2.87Å; Q59-S123 CarbonylContact O-C 3.56Å; Q59-S123 WeakPolarHBondContact O-CA 3.47Å; I61-S123 WeakPolarHBondContact CG1-O 3.29Å; H108-S123 PolarHBondContact N-O 3.46Å; H108-S123 PolarHBondContact O-N 3.07Å
124	C	98.7	Very high	97.2	Very high	6 Å²	6	43.1 Å²	43.1	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	114.4	168.1	-144.5	0	0	0	0	109.9	Q59 I61 C105 L106	Q59-C124 HydrophobicContact CB-CB 3.86Å; Q59-C124 HydrophobicContact CG-CB 3.88Å; Q59-C124 PolarHBondContact O-N 2.98Å; I61-C124 HydrophobicContact CD1-CB 3.58Å; I61-C124 HydrophobicContact CG1-CB 4.36Å; C105-C124 HydrophobicContact CB-CB 3.88Å; C105-C124 WeakPolarHBondContact CB-SG 3.25Å; C105-C124 WeakPolarHBondContact SG-CB 3.48Å; C105-C124 CovalentContact SG-SG 2.01Å; C105-C124 PolarHBondContact SG-SG 2.98Å; L106-C124 CarbonylContact O-C 3.51Å; L106-C124 WeakPolarHBondContact O-CA 3.49Å
125	F	98.6	Very high	97.3	Very high	59 Å²	59	42.9 Å²	42.9	26%	0.259	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	154.9	-173	178.8	-110.7	0	0	0	112.9	Q58 C105 L106 H108 D132	Q58-F125 VanDerWaalsContact NE2-CD2 3.25Å; C105-F125 CarbonylContact C-O 3.17Å; C105-F125 VanDerWaalsContact CA-O 3.27Å; C105-F125 WeakPolarHBondContact CA-O 3.32Å; C105-F125 WeakPolarHBondContact CB-O 3.09Å; L106-F125 PolarHBondContact N-O 3.36Å; L106-F125 PolarHBondContact O-N 2.87Å; H108-F125 HydrophobicContact CB-CB 3.38Å; H108-F125 HydrophobicContact CB-CG 4.45Å; H108-F125 AromaticContact CE1-CD1 3.83Å; H108-F125 AromaticContact CG-CG 3.97Å; H108-F125 AromaticContact ND1-CD1 3.62Å; H108-F125 AromaticContact ND1-CG 3.81Å; F125-D132 HydrophobicContact CE1-CB 4.43Å; F125-D132 VanDerWaalsContact CE1-OD2 3.24Å; F125-D132 WeakPolarHBondContact CE1-OD2 3.44Å
126	G	97.9	Very high	97.4	Very high	22 Å²	22	41.6 Å²	41.6	23%	0.227	24%	0.238	C	C	.	.			trans	71	-175.1	177.5	0	0	0	0	0	113.9	C105 I130	C105-G126 VanDerWaalsContact CB-O 3.26Å; C105-G126 WeakPolarHBondContact CB-O 3.01Å; G126-I130 VanDerWaalsContact CA-O 3.24Å; G126-I130 WeakPolarHBondContact CA-O 3.24Å
127	K	97.6	Very high	97.5	Very high	113 Å²	113	38.1 Å²	38.1	49%	0.491	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-147.5	154.2	-179.8	-71.2	-65.1	-177.9	178.7	0	109.3	K104 F129 I130	K104-K127 CarbonylContact O-C 3.46Å; K104-K127 VanDerWaalsContact O-C 3.28Å; K127-F129 PolarHBondContact O-N 2.79Å; K127-F129 VanDerWaalsContact O-N 3.14Å; K127-I130 PolarHBondContact N-O 3.27Å; K127-I130 WeakPolarHBondContact O-CB 3.47Å; K127-I130 PolarHBondContact O-N 2.97Å
128	N	98	Very high	97.5	Very high	107 Å²	107	38.9 Å²	38.9	57%	0.572	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	33.8	179.6	-60.7	-43.5	0	0	0	113.7	K104 I130	K104-N128 WeakPolarHBondContact CD-OD1 3.37Å; K104-N128 PolarHBondContact O-N 3.35Å; N128-I130 PolarHBondContact O-N 3.03Å
129	F	98.2	Very high	97.6	Very high	55 Å²	55	36.9 Å²	36.9	24%	0.241	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	21.5	-175.8	-48	-60.8	0	0	0	114.7	I75 L77 R97 L101 K104 L106 K127	I75-F129 HydrophobicContact CG2-CD1 4.23Å; I75-F129 HydrophobicContact CG2-CE1 3.6Å; I75-F129 HydrophobicContact CG2-CZ 3.77Å; L77-F129 HydrophobicContact CD1-CB 3.89Å; L77-F129 HydrophobicContact CD1-CD1 3.85Å; L77-F129 HydrophobicContact CD1-CG 3.95Å; R97-F129 PolarHBondContact NH1-O 2.83Å; R97-F129 VanDerWaalsContact NH1-O 3.07Å; L101-F129 HydrophobicContact CD2-CZ 4.28Å; K104-F129 HydrophobicContact CB-CD1 4.42Å; K104-F129 HydrophobicContact CB-CE1 4.14Å; K104-F129 HydrophobicContact CB-CE2 4.32Å; K104-F129 HydrophobicContact CB-CZ 4.08Å; K104-F129 HydrophobicContact CD-CE2 4.47Å; K104-F129 HydrophobicContact CG-CE2 4.22Å; K104-F129 HydrophobicContact CG-CZ 4.03Å; K104-F129 PolarHBondContact O-N 2.83Å; L106-F129 HydrophobicContact CD2-CB 4.48Å; L106-F129 HydrophobicContact CD2-CD1 4.33Å; K127-F129 PolarHBondContact O-N 2.79Å; K127-F129 VanDerWaalsContact O-N 3.14Å
130	I	98.3	Very high	97.6	Very high	123 Å²	123	38 Å²	38	63%	0.631	20%	0.201	S	C	*	.	B	Isolated β-bridge	trans	-101.7	120.9	171.2	-55.3	170.8	0	0	0	107.7	G126 K127 N128	G126-I130 VanDerWaalsContact CA-O 3.24Å; G126-I130 WeakPolarHBondContact CA-O 3.24Å; K127-I130 PolarHBondContact N-O 3.27Å; K127-I130 WeakPolarHBondContact O-CB 3.47Å; K127-I130 PolarHBondContact O-N 2.97Å; N128-I130 PolarHBondContact O-N 3.03Å
131	G	97.4	Very high	97.5	Very high	16 Å²	16	37.4 Å²	37.4	17%	0.165	20%	0.2	C	C	.	.			trans	-152.3	-139.2	174.7	0	0	0	0	0	109.6	H80 D135	H80-G131 PolarHBondContact CE1-O 2.87Å; H80-G131 PolarHBondContact ND1-O 2.81Å; G131-D135 WeakPolarHBondContact CA-OD2 3.49Å
132	D	97.9	Very high	97.1	Very high	61 Å²	61	44.5 Å²	44.5	33%	0.326	24%	0.239	S	C	.	.			trans	-139.5	-162.3	-173.7	63.4	35.5	0	0	0	112.6	H80 H108 F125 G134 D135	H80-D132 WeakPolarHBondContact CB-O 2.97Å; H80-D132 WeakPolarHBondContact ND1-CA 3.39Å; H80-D132 PolarHBondContact ND1-O 2.81Å; H108-D132 IonicContact CE1-OD1 3.33Å; H108-D132 PolarHBondContact CE1-OD1 2.86Å; H108-D132 IonicContact ND1-OD1 3.6Å; F125-D132 HydrophobicContact CE1-CB 4.43Å; F125-D132 VanDerWaalsContact CE1-OD2 3.24Å; F125-D132 WeakPolarHBondContact CE1-OD2 3.44Å; D132-G134 VanDerWaalsContact C-N 3.28Å; D132-G134 PolarHBondContact O-N 2.65Å; D132-G134 WeakPolarHBondContact OD1-CA 3.5Å; D132-G134 PolarHBondContact OD1-N 2.79Å; D132-D135 PolarHBondContact N-OD2 3.25Å; D132-D135 PolarHBondContact O-N 2.87Å
133	T	96.9	Very high	96.7	Very high	65 Å²	65	47.6 Å²	47.6	40%	0.399	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-72.7	-19.8	-178.5	53.3	0	0	0	0	113.3	D135 N136 D158	T133-D135 PolarHBondContact O-N 2.79Å; T133-D135 VanDerWaalsContact O-N 3.15Å; T133-N136 VanDerWaalsContact O-CB 3.29Å; T133-N136 WeakPolarHBondContact O-CB 3.32Å; T133-N136 PolarHBondContact O-N 2.81Å; T133-N136 VanDerWaalsContact O-N 3.1Å; T133-N136 PolarHBondContact O-ND2 3.26Å; T133-D158 WeakPolarHBondContact CB-OD2 3.37Å; T133-D158 PolarHBondContact OG1-OD2 3.45Å
134	G	97.2	Very high	96.4	Very high	4 Å²	4	55.8 Å²	55.8	4%	0.041	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-71.6	-1	174.2	0	0	0	0	0	113.7	H108 S109 D132 H156 D158	H108-G134 WeakPolarHBondContact CA-O 3.37Å; H108-G134 VanDerWaalsContact ND1-C 3.29Å; H108-G134 PolarHBondContact ND1-O 3.1Å; S109-G134 PolarHBondContact N-O 3.21Å; S109-G134 VanDerWaalsContact N-O 3.07Å; D132-G134 VanDerWaalsContact C-N 3.28Å; D132-G134 PolarHBondContact O-N 2.65Å; D132-G134 WeakPolarHBondContact OD1-CA 3.5Å; D132-G134 PolarHBondContact OD1-N 2.79Å; G134-H156 WeakPolarHBondContact CA-NE2 3.33Å; G134-H156 PolarHBondContact O-NE2 3.07Å; G134-D158 PolarHBondContact N-OD2 2.88Å
135	D	98.5	Very high	96.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-92.9	-6.5	172.1	-52.8	-38.3	0	0	0	112.6	R97 L106 H108 G131 D132 T133	R97-D135 HydrophobicContact CG-CB 4.1Å; R97-D135 WeakPolarHBondContact CG-O 3.32Å; L106-D135 HydrophobicContact CB-CB 3.92Å; L106-D135 HydrophobicContact CD1-CB 4.11Å; L106-D135 WeakPolarHBondContact CD1-OD2 3.37Å; H108-D135 WeakPolarHBondContact CB-OD1 3.42Å; H108-D135 IonicContact CE1-OD1 3.79Å; H108-D135 IonicContact CG-OD1 3.9Å; H108-D135 IonicContact ND1-OD1 3.49Å; H108-D135 PolarHBondContact ND1-OD1 3.38Å; G131-D135 WeakPolarHBondContact CA-OD2 3.49Å; D132-D135 PolarHBondContact N-OD2 3.25Å; D132-D135 PolarHBondContact O-N 2.87Å; T133-D135 PolarHBondContact O-N 2.79Å; T133-D135 VanDerWaalsContact O-N 3.15Å
136	N	97.9	Very high	96.1	Very high	15 Å²	15	55 Å²	55	8%	0.08	31%	0.308	C	S	.	.			trans	-81.9	126.3	-175.1	-72.8	-32.9	0	0	0	111.4	P79 H80 I95 T133 H156 V157	P79-N136 WeakPolarHBondContact CA-OD1 3.46Å; H80-N136 PolarHBondContact N-OD1 3.33Å; I95-N136 HydrophobicContact CG2-CB 3.7Å; T133-N136 VanDerWaalsContact O-CB 3.29Å; T133-N136 WeakPolarHBondContact O-CB 3.32Å; T133-N136 PolarHBondContact O-N 2.81Å; T133-N136 VanDerWaalsContact O-N 3.1Å; T133-N136 PolarHBondContact O-ND2 3.26Å; N136-H156 PolarHBondContact O-CD2 2.81Å; N136-V157 HydrophobicContact CB-CB 3.96Å; N136-V157 HydrophobicContact CB-CG2 3.96Å; N136-V157 WeakPolarHBondContact O-CG2 3.45Å; N136-V157 PolarHBondContact O-N 3.35Å
137	W	97.9	Very high	95.9	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127	176.6	-63.7	86.2	0	0	0	110.3	I95 I96 L107 V122 F154 Q155 H156 L189	I95-W137 WeakPolarHBondContact CA-O 3.41Å; I96-W137 PolarHBondContact N-O 2.95Å; I96-W137 PolarHBondContact O-N 3.29Å; L107-W137 HydrophobicContact CD2-CD2 4.43Å; L107-W137 HydrophobicContact CD2-CZ2 4.13Å; L107-W137 HydrophobicContact CG-CZ2 4.08Å; L107-W137 PolarHBondContact O-NE1 3.15Å; V122-W137 HydrophobicContact CG1-CZ2 4.49Å; V122-W137 HydrophobicContact CG2-CH2 4Å; V122-W137 HydrophobicContact CG2-CZ2 4.44Å; W137-F154 HydrophobicContact CB-CB 4.21Å; W137-F154 HydrophobicContact CB-CD1 4.49Å; W137-F154 HydrophobicContact CD2-CB 4.3Å; W137-F154 HydrophobicContact CE3-CB 3.72Å; W137-Q155 CarbonylContact C-O 3.48Å; W137-Q155 WeakPolarHBondContact CA-O 3.47Å; W137-H156 HydrophobicContact CD2-CB 4.45Å; W137-H156 HydrophobicContact CE3-CB 3.89Å; W137-H156 HydrophobicContact CH2-CB 3.85Å; W137-H156 HydrophobicContact CZ2-CB 4.4Å; W137-H156 HydrophobicContact CZ3-CB 3.56Å; W137-L189 HydrophobicContact CE3-CB 4.2Å; W137-L189 HydrophobicContact CH2-CB 4.13Å; W137-L189 HydrophobicContact CH2-CD1 4.1Å; W137-L189 HydrophobicContact CZ3-CB 3.65Å; W137-L189 HydrophobicContact CZ3-CD1 4.48Å
138	M	96.2	Very high	95.8	Very high	60 Å²	60	51.7 Å²	51.7	30%	0.296	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	130	170	-176.4	179.6	-65.1	0	0	109.8	S94 F154 Q155 V157	S94-M138 WeakPolarHBondContact O-CA 3.42Å; M138-F154 WeakPolarHBondContact O-CA 3.44Å; M138-Q155 HydrophobicContact CB-CB 4.33Å; M138-Q155 PolarHBondContact N-O 2.87Å; M138-Q155 PolarHBondContact O-N 2.84Å; M138-V157 HydrophobicContact CB-CG2 4.25Å
139	V	96.6	Very high	95.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	117.7	178.2	-177.3	0	0	0	0	109.4	I90 G93 S94 I96 W146 V152 F154	I90-V139 HydrophobicContact CG2-CG2 3.93Å; G93-V139 WeakPolarHBondContact CA-O 3.36Å; G93-V139 PolarHBondContact N-O 2.83Å; S94-V139 PolarHBondContact O-N 3.42Å; I96-V139 HydrophobicContact CB-CG2 4.44Å; I96-V139 HydrophobicContact CD1-CG2 3.59Å; I96-V139 HydrophobicContact CG1-CG2 3.67Å; I96-V139 HydrophobicContact CG2-CG2 3.98Å; V139-W146 HydrophobicContact CG1-CB 4.01Å; V139-W146 HydrophobicContact CG1-CD2 4.02Å; V139-W146 HydrophobicContact CG1-CE3 3.97Å; V139-W146 HydrophobicContact CG1-CG 4.05Å; V139-W146 HydrophobicContact CG2-CE3 4.28Å; V139-V152 HydrophobicContact CG1-CG2 3.62Å; V139-F154 HydrophobicContact CG2-CD1 4.45Å; V139-F154 HydrophobicContact CG2-CE1 4.32Å
140	I	95.1	Very high	95.2	Very high	57 Å²	57	52.9 Å²	52.9	29%	0.292	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	113.4	176.8	-58.7	175.5	0	0	0	107.9	V152 S153 Q155 F188	I140-V152 CarbonylContact O-C 3.57Å; I140-V152 WeakPolarHBondContact O-CA 3.45Å; I140-V152 WeakPolarHBondContact O-CG2 3.45Å; I140-S153 PolarHBondContact N-O 2.82Å; I140-S153 PolarHBondContact O-N 3.24Å; I140-Q155 HydrophobicContact CD1-CB 3.68Å; I140-Q155 HydrophobicContact CG1-CB 4.46Å; I140-F188 HydrophobicContact CD1-CD1 4.11Å; I140-F188 HydrophobicContact CD1-CE1 3.6Å
141	C	93.6	Very high	95.1	Very high	22 Å²	22	48.3 Å²	48.3	15%	0.149	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	163	179.1	43.5	0	0	0	0	110.8	C92 V152	C92-C141 WeakPolarHBondContact CA-SG 3.41Å; C92-C141 HydrophobicContact CB-CB 4.29Å; C92-C141 WeakPolarHBondContact CB-SG 3.31Å; C92-C141 VanDerWaalsContact SG-C 3.56Å; C92-C141 WeakPolarHBondContact SG-CB 3.23Å; C92-C141 PolarHBondContact SG-O 3.49Å; C92-C141 CovalentContact SG-SG 2.04Å; C92-C141 PolarHBondContact SG-SG 3.42Å; C141-V152 HydrophobicContact CB-CG2 4.35Å
142	D	90	Very high	95.1	Very high	150 Å²	150	47.6 Å²	47.6	80%	0.802	27%	0.268	S	S	*	.	S	Bend	trans	-81.8	135.4	172.7	-58	-33.8	0	0	0	109.8
143	G	90.2	Very high	95.1	Very high	64 Å²	64	45 Å²	45	66%	0.66	26%	0.255	S	S	*	.	S	Bend	trans	97.6	-167.3	179.3	0	0	0	0	0	114	C92	C92-G143 WeakPolarHBondContact CB-O 3.3Å; C92-G143 PolarHBondContact SG-O 2.9Å; C92-G143 VanDerWaalsContact SG-O 3.36Å
144	E	91.6	Very high	95.1	Very high	173 Å²	173	41.9 Å²	41.9	81%	0.808	24%	0.236	S	C	*	.	S	Bend	trans	-84.9	-30.7	-176.1	-62.2	-176.2	175.6	0	0	112.8	K91 C92	K91-E144 WeakPolarHBondContact CA-O 3.47Å; C92-E144 PolarHBondContact N-O 3.19Å
145	V	94.7	Very high	95	Very high	47 Å²	47	42.8 Å²	42.8	29%	0.285	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-131.7	151.5	-175.7	-62	0	0	0	0	111.2	A27 E89 I90 C92 S147	A27-V145 HydrophobicContact CB-CB 4.27Å; A27-V145 HydrophobicContact CB-CG2 3.99Å; E89-V145 HydrophobicContact CB-CG1 4.41Å; I90-V145 WeakPolarHBondContact O-CA 3.42Å; C92-V145 PolarHBondContact SG-O 3.01Å; V145-S147 PolarHBondContact O-N 2.89Å
146	W	96	Very high	94.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.239	C	C	.	.			trans	-69	98.2	174.2	179.3	10.6	0	0	0	110.2	A27 V28 I34 L36 V76 I90 I96 V139 V152 F154 T220	A27-W146 CarbonylContact C-O 3.59Å; A27-W146 WeakPolarHBondContact CA-O 3.2Å; V28-W146 HydrophobicContact CB-CB 4.44Å; V28-W146 HydrophobicContact CB-CD2 3.79Å; V28-W146 HydrophobicContact CB-CE3 3.82Å; V28-W146 HydrophobicContact CB-CG 4.11Å; V28-W146 HydrophobicContact CB-CZ3 4.31Å; V28-W146 HydrophobicContact CG1-CD2 4.19Å; V28-W146 HydrophobicContact CG1-CE3 3.77Å; V28-W146 HydrophobicContact CG1-CH2 4.2Å; V28-W146 HydrophobicContact CG1-CZ3 3.78Å; V28-W146 HydrophobicContact CG2-CD2 3.71Å; V28-W146 HydrophobicContact CG2-CE3 4.17Å; V28-W146 HydrophobicContact CG2-CG 3.95Å; V28-W146 HydrophobicContact CG2-CZ2 4.16Å; V28-W146 PolarHBondContact N-O 2.63Å; I34-W146 HydrophobicContact CD1-CH2 3.49Å; I34-W146 VanDerWaalsContact CD1-CH2 3.49Å; I34-W146 HydrophobicContact CD1-CZ2 4.03Å; I34-W146 HydrophobicContact CD1-CZ3 4.37Å; L36-W146 HydrophobicContact CD2-CH2 4.28Å; L36-W146 HydrophobicContact CD2-CZ2 3.92Å; V76-W146 HydrophobicContact CG2-CZ3 4.46Å; I90-W146 HydrophobicContact CB-CB 4.49Å; I90-W146 HydrophobicContact CB-CE3 4.33Å; I90-W146 HydrophobicContact CG2-CE3 4.02Å; I90-W146 PolarHBondContact O-N 3.34Å; I96-W146 HydrophobicContact CD1-CE3 4.48Å; I96-W146 HydrophobicContact CD1-CZ3 3.72Å; V139-W146 HydrophobicContact CG1-CB 4.01Å; V139-W146 HydrophobicContact CG1-CD2 4.02Å; V139-W146 HydrophobicContact CG1-CE3 3.97Å; V139-W146 HydrophobicContact CG1-CG 4.05Å; V139-W146 HydrophobicContact CG2-CE3 4.28Å; W146-V152 HydrophobicContact CD2-CG2 4.14Å; W146-V152 HydrophobicContact CG-CG2 4.27Å; W146-V152 HydrophobicContact CZ2-CB 4.43Å; W146-V152 HydrophobicContact CZ2-CG1 3.76Å; W146-V152 HydrophobicContact CZ2-CG2 4.36Å; W146-F154 AromaticContact CH2-CE1 3.72Å; W146-F154 HydrophobicContact CH2-CE1 3.72Å; W146-F154 AromaticContact CH2-CZ 3.47Å; W146-F154 HydrophobicContact CH2-CZ 3.47Å; W146-F154 VanDerWaalsContact CH2-CZ 3.47Å; W146-F154 HydrophobicContact CZ2-CE1 4.2Å; W146-F154 AromaticContact CZ2-CZ 3.64Å; W146-F154 HydrophobicContact CZ2-CZ 3.64Å; W146-F154 AromaticContact CZ3-CE1 3.97Å; W146-F154 HydrophobicContact CZ3-CE1 3.97Å; W146-F154 HydrophobicContact CZ3-CZ 4.2Å; W146-T220 HydrophobicContact CZ2-CG2 3.71Å
147	S	95.1	Very high	94.7	Very high	34 Å²	34	43.4 Å²	43.4	24%	0.238	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-68.3	139.9	175.7	168.9	0	0	0	0	112	D26 V145 K149 G150	D26-S147 CarbonylContact O-C 3.49Å; D26-S147 VanDerWaalsContact O-CA 3.29Å; D26-S147 WeakPolarHBondContact O-CA 3.36Å; D26-S147 PolarHBondContact OD2-OG 3.35Å; V145-S147 PolarHBondContact O-N 2.89Å; S147-K149 PolarHBondContact O-N 3.2Å; S147-K149 PolarHBondContact OG-N 3.44Å; S147-K149 VanDerWaalsContact OG-N 3.16Å; S147-G150 PolarHBondContact O-N 3.49Å; S147-G150 PolarHBondContact OG-N 2.92Å
148	R	93.9	Very high	94.4	Very high	32 Å²	32	46 Å²	46	12%	0.121	26%	0.257	C	S	.	.	S	Bend	trans	-66.3	-18.6	174.7	-60.4	175.8	-167	159.4	11.9	113.4	H24 T25 D26 A27 V28 T220 Y225	H24-R148 PolarHBondContact CE1-NH1 2.72Å; H24-R148 PolarHBondContact NE2-NH1 2.83Å; T25-R148 PolarHBondContact O-NH2 3.47Å; T25-R148 VanDerWaalsContact O-NH2 3.13Å; D26-R148 WeakPolarHBondContact O-CG 3.37Å; D26-R148 PolarHBondContact O-N 3.33Å; A27-R148 PolarHBondContact O-NE 3.29Å; A27-R148 PolarHBondContact O-NH2 3.23Å; V28-R148 HydrophobicContact CG2-CG 4.01Å; R148-T220 VanDerWaalsContact C-OG1 3.23Å; R148-T220 VanDerWaalsContact CA-OG1 3.25Å; R148-T220 WeakPolarHBondContact CA-OG1 3.35Å; R148-T220 PolarHBondContact O-OG1 2.77Å; R148-Y225 HydrophobicContact CG-CD1 4.03Å; R148-Y225 HydrophobicContact CG-CE1 3.72Å
149	K	90.5	Very high	94.1	Very high	162 Å²	162	44.4 Å²	44.4	70%	0.704	25%	0.25	S	S	*	.	S	Bend	trans	-102.8	-15.8	176	-63.2	176.2	-169.1	170.7	0	112.3	D26 S147	D26-K149 VanDerWaalsContact OD2-CD 3.3Å; D26-K149 WeakPolarHBondContact OD2-CD 3.47Å; D26-K149 WeakPolarHBondContact OD2-CG 3.39Å; S147-K149 PolarHBondContact O-N 3.2Å; S147-K149 PolarHBondContact OG-N 3.44Å; S147-K149 VanDerWaalsContact OG-N 3.16Å
150	G	93.3	Very high	92.9	Very high	25 Å²	25	44.8 Å²	44.8	26%	0.258	25%	0.254	S	S	.	.	S	Bend	trans	-70.9	159.7	-179	0	0	0	0	0	113.2	S147	S147-G150 PolarHBondContact O-N 3.49Å; S147-G150 PolarHBondContact OG-N 2.92Å
151	V	96.3	Very high	91	Very high	27 Å²	27	48.6 Å²	48.6	16%	0.164	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	141.8	164.6	175.4	0	0	0	0	108.8	R217 W218 K219	V151-R217 HydrophobicContact CG1-CB 3.75Å; V151-R217 HydrophobicContact CG1-CG 3.88Å; V151-W218 WeakPolarHBondContact CA-O 3.44Å; V151-K219 HydrophobicContact CG2-CD 4.26Å; V151-K219 HydrophobicContact CG2-CG 3.97Å
152	V	98	Very high	89	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	151.2	176.5	67.5	0	0	0	0	109.7	V139 I140 C141 W146 F154 W218	V139-V152 HydrophobicContact CG1-CG2 3.62Å; I140-V152 CarbonylContact O-C 3.57Å; I140-V152 WeakPolarHBondContact O-CA 3.45Å; I140-V152 WeakPolarHBondContact O-CG2 3.45Å; C141-V152 HydrophobicContact CB-CG2 4.35Å; W146-V152 HydrophobicContact CD2-CG2 4.14Å; W146-V152 HydrophobicContact CG-CG2 4.27Å; W146-V152 HydrophobicContact CZ2-CB 4.43Å; W146-V152 HydrophobicContact CZ2-CG1 3.76Å; W146-V152 HydrophobicContact CZ2-CG2 4.36Å; V152-F154 HydrophobicContact CG1-CE2 3.79Å; V152-F154 HydrophobicContact CG1-CZ 3.68Å; V152-F154 HydrophobicContact CG2-CE1 4.05Å; V152-F154 HydrophobicContact CG2-CE2 4.46Å; V152-F154 HydrophobicContact CG2-CZ 3.97Å; V152-W218 HydrophobicContact CG1-CB 3.98Å; V152-W218 PolarHBondContact N-O 2.8Å; V152-W218 PolarHBondContact O-N 3.15Å
153	S	97.8	Very high	86.6	Confident	7 Å²	7	56.9 Å²	56.9	5%	0.049	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	156.1	166	-69.1	0	0	0	0	109	I140 C216	I140-S153 PolarHBondContact N-O 2.82Å; I140-S153 PolarHBondContact O-N 3.24Å; S153-C216 WeakPolarHBondContact CB-O 2.99Å; S153-C216 PolarHBondContact OG-O 2.84Å
154	F	97.7	Very high	84	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	122.8	-179.6	-57.7	-80.2	0	0	0	108.8	L36 I96 L98 W137 M138 V139 W146 V152 F188 L189 W218	L36-F154 HydrophobicContact CD1-CE2 3.75Å; L36-F154 HydrophobicContact CD1-CZ 3.97Å; L36-F154 HydrophobicContact CD2-CE2 4.12Å; L36-F154 HydrophobicContact CD2-CZ 4.08Å; I96-F154 HydrophobicContact CD1-CD1 4.44Å; I96-F154 HydrophobicContact CD1-CE1 3.99Å; L98-F154 HydrophobicContact CD1-CE1 4.38Å; L98-F154 HydrophobicContact CD1-CZ 4.4Å; W137-F154 HydrophobicContact CB-CB 4.21Å; W137-F154 HydrophobicContact CB-CD1 4.49Å; W137-F154 HydrophobicContact CD2-CB 4.3Å; W137-F154 HydrophobicContact CE3-CB 3.72Å; M138-F154 WeakPolarHBondContact O-CA 3.44Å; V139-F154 HydrophobicContact CG2-CD1 4.45Å; V139-F154 HydrophobicContact CG2-CE1 4.32Å; W146-F154 AromaticContact CH2-CE1 3.72Å; W146-F154 HydrophobicContact CH2-CE1 3.72Å; W146-F154 AromaticContact CH2-CZ 3.47Å; W146-F154 HydrophobicContact CH2-CZ 3.47Å; W146-F154 VanDerWaalsContact CH2-CZ 3.47Å; W146-F154 HydrophobicContact CZ2-CE1 4.2Å; W146-F154 AromaticContact CZ2-CZ 3.64Å; W146-F154 HydrophobicContact CZ2-CZ 3.64Å; W146-F154 AromaticContact CZ3-CE1 3.97Å; W146-F154 HydrophobicContact CZ3-CE1 3.97Å; W146-F154 HydrophobicContact CZ3-CZ 4.2Å; V152-F154 HydrophobicContact CG1-CE2 3.79Å; V152-F154 HydrophobicContact CG1-CZ 3.68Å; V152-F154 HydrophobicContact CG2-CE1 4.05Å; V152-F154 HydrophobicContact CG2-CE2 4.46Å; V152-F154 HydrophobicContact CG2-CZ 3.97Å; F154-F188 CarbonylContact O-C 3.46Å; F154-F188 VanDerWaalsContact O-CA 3.3Å; F154-F188 WeakPolarHBondContact O-CA 3.13Å; F154-L189 HydrophobicContact CB-CB 3.97Å; F154-L189 HydrophobicContact CB-CD2 4.4Å; F154-L189 HydrophobicContact CD2-CD2 3.79Å; F154-L189 HydrophobicContact CG-CD2 4.41Å; F154-L189 PolarHBondContact O-N 2.85Å; F154-W218 HydrophobicContact CD2-CG 4.43Å; F154-W218 HydrophobicContact CE2-CB 4.14Å; F154-W218 HydrophobicContact CE2-CG 4.21Å
155	Q	95	Very high	81.4	Confident	23 Å²	23	51.4 Å²	51.4	11%	0.107	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	125.4	174.7	177.5	-178.4	40.7	0	0	109.3	W137 M138 I140 V157 S187 F188	W137-Q155 CarbonylContact C-O 3.48Å; W137-Q155 WeakPolarHBondContact CA-O 3.47Å; M138-Q155 HydrophobicContact CB-CB 4.33Å; M138-Q155 PolarHBondContact N-O 2.87Å; M138-Q155 PolarHBondContact O-N 2.84Å; I140-Q155 HydrophobicContact CD1-CB 3.68Å; I140-Q155 HydrophobicContact CG1-CB 4.46Å; Q155-V157 PolarHBondContact O-N 3.22Å; Q155-S187 CarbonylContact C-O 3.56Å; Q155-S187 WeakPolarHBondContact CA-O 3.37Å; Q155-F188 HydrophobicContact CB-CD1 3.9Å; Q155-F188 HydrophobicContact CB-CE1 3.92Å; Q155-F188 HydrophobicContact CG-CD1 4.32Å; Q155-F188 HydrophobicContact CG-CE1 4.09Å
156	H	95.9	Very high	78.4	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	124.6	176.7	-174.2	-124.4	0	0	0	109.8	S109 G134 N136 W137 T159 G160 S187	S109-H156 VanDerWaalsContact C-CE1 3.5Å; S109-H156 PolarHBondContact O-CE1 2.55Å; S109-H156 PolarHBondContact O-NE2 2.85Å; G134-H156 WeakPolarHBondContact CA-NE2 3.33Å; G134-H156 PolarHBondContact O-NE2 3.07Å; N136-H156 PolarHBondContact O-CD2 2.81Å; W137-H156 HydrophobicContact CD2-CB 4.45Å; W137-H156 HydrophobicContact CE3-CB 3.89Å; W137-H156 HydrophobicContact CH2-CB 3.85Å; W137-H156 HydrophobicContact CZ2-CB 4.4Å; W137-H156 HydrophobicContact CZ3-CB 3.56Å; H156-T159 PolarHBondContact ND1-N 2.99Å; H156-T159 PolarHBondContact ND1-OG1 3.3Å; H156-G160 VanDerWaalsContact O-CA 3.28Å; H156-G160 WeakPolarHBondContact O-CA 3.21Å; H156-G160 PolarHBondContact O-N 3.06Å; H156-S187 PolarHBondContact N-O 3.32Å
157	V	93.3	Very high	75.7	Confident	27 Å²	27	60.9 Å²	60.9	16%	0.164	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-39.7	-170	174.2	0	0	0	0	111.8	I95 N136 M138 Q155 K161	I95-V157 HydrophobicContact CD1-CG1 4.47Å; I95-V157 HydrophobicContact CD1-CG2 4.17Å; I95-V157 HydrophobicContact CG1-CG2 4.11Å; I95-V157 HydrophobicContact CG2-CG2 4.12Å; N136-V157 HydrophobicContact CB-CB 3.96Å; N136-V157 HydrophobicContact CB-CG2 3.96Å; N136-V157 WeakPolarHBondContact O-CG2 3.45Å; N136-V157 PolarHBondContact O-N 3.35Å; M138-V157 HydrophobicContact CB-CG2 4.25Å; Q155-V157 PolarHBondContact O-N 3.22Å; V157-K161 WeakPolarHBondContact O-CE 3.29Å; V157-K161 WeakPolarHBondContact O-CG 3.28Å
158	D	92.1	Very high	72.9	Confident	55 Å²	55	64.8 Å²	64.8	29%	0.294	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-34.8	-171.5	-83.2	1	0	0	0	113.4	T133 G134	T133-D158 WeakPolarHBondContact CB-OD2 3.37Å; T133-D158 PolarHBondContact OG1-OD2 3.45Å; G134-D158 PolarHBondContact N-OD2 2.88Å
159	T	89.2	Confident	70.2	Confident	25 Å²	25	68.1 Å²	68.1	15%	0.153	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-14.4	177.7	65.2	0	0	0	0	113.6	L111 Q120 H156 K161 S187	L111-T159 HydrophobicContact CD2-CG2 3.81Å; L111-T159 HydrophobicContact CG-CG2 4.28Å; Q120-T159 PolarHBondContact NE2-OG1 3.06Å; Q120-T159 PolarHBondContact OE1-OG1 3.17Å; H156-T159 PolarHBondContact ND1-N 2.99Å; H156-T159 PolarHBondContact ND1-OG1 3.3Å; T159-K161 PolarHBondContact O-N 3.46Å; T159-S187 PolarHBondContact O-OG 3.18Å; T159-S187 WeakPolarHBondContact OG1-CB 3.18Å; T159-S187 PolarHBondContact OG1-OG 3.17Å
160	G	71.2	Confident	67.8	Low	8 Å²	8	68.7 Å²	68.7	8%	0.082	39%	0.394	C	S	.	.	S	Bend	trans	-82	12.6	170.4	0	0	0	0	0	113.5	H156 Y162	H156-G160 VanDerWaalsContact O-CA 3.28Å; H156-G160 WeakPolarHBondContact O-CA 3.21Å; H156-G160 PolarHBondContact O-N 3.06Å; G160-Y162 PolarHBondContact O-N 3.21Å
161	K	56.2	Low	65.2	Low	138 Å²	138	72.9 Å²	72.9	60%	0.6	42%	0.419	S	S	*	.			trans	-72.8	121	-173.7	-70.6	-151.2	-179.5	176.4	0	112.9	V157 T159	V157-K161 WeakPolarHBondContact O-CE 3.29Å; V157-K161 WeakPolarHBondContact O-CG 3.28Å; T159-K161 PolarHBondContact O-N 3.46Å
162	Y	50.4	Low	62.7	Low	125 Å²	125	80 Å²	80	49%	0.49	45%	0.451	S	S	.	.			trans	-53.8	125.4	153.2	-177.9	-139.8	0	0	0	113	G160 G164 A165 M184	G160-Y162 PolarHBondContact O-N 3.21Å; Y162-G164 WeakPolarHBondContact CE1-O 3.45Å; Y162-G164 PolarHBondContact O-N 3.5Å; Y162-G164 PolarHBondContact OH-O 3.16Å; Y162-A165 VanDerWaalsContact CD1-N 3.3Å; Y162-A165 HydrophobicContact CE1-CB 3.36Å; Y162-A165 WeakPolarHBondContact OH-CB 3.47Å; Y162-M184 HydrophobicContact CD2-CE 4.37Å; Y162-M184 HydrophobicContact CE2-CE 4.38Å
163	F	40.1	Very low	59.9	Low	220 Å²	220	87.2 Å²	87.2	97%	0.965	48%	0.482	S	S	*	.	S	Bend	trans	-80.6	87.2	158.5	-120.8	-90.9	0	0	0	107.9
164	G	35.2	Very low	57.1	Low	58 Å²	58	92.3 Å²	92.3	60%	0.598	51%	0.513	S	S	*	.	S	Bend	trans	102.4	87	154.4	0	0	0	0	0	118.7	Y162	Y162-G164 WeakPolarHBondContact CE1-O 3.45Å; Y162-G164 PolarHBondContact O-N 3.5Å; Y162-G164 PolarHBondContact OH-O 3.16Å
165	A	37.2	Very low	54.1	Low	64 Å²	64	103.4 Å²	103.4	53%	0.529	56%	0.555	S	S	.	*			trans	-171	132.6	136.6	0	0	0	0	0	109.8	Y162 V167	Y162-A165 VanDerWaalsContact CD1-N 3.3Å; Y162-A165 HydrophobicContact CE1-CB 3.36Å; Y162-A165 WeakPolarHBondContact OH-CB 3.47Å; A165-V167 PolarHBondContact O-N 3.29Å
166	S	32.8	Very low	51.4	Low	96 Å²	96	108.5 Å²	108.5	67%	0.671	58%	0.579	S	S	*	*			trans	-43.5	127.6	172.5	-165.2	0	0	0	0	112	T168	S166-T168 VanDerWaalsContact C-N 3.29Å; S166-T168 PolarHBondContact O-N 3.1Å; S166-T168 PolarHBondContact O-OG1 2.87Å
167	V	38.5	Very low	48.8	Very low	151 Å²	151	114.7 Å²	114.7	92%	0.915	61%	0.609	S	S	*	*			trans	-57.4	93.8	168	178.8	0	0	0	0	107.4	A165	A165-V167 PolarHBondContact O-N 3.29Å
168	T	35.4	Very low	46.3	Very low	116 Å²	116	121.2 Å²	121.2	71%	0.712	64%	0.638	S	S	*	*			trans	-107.4	132.2	171.8	36.7	0	0	0	0	108.7	S166	S166-T168 VanDerWaalsContact C-N 3.29Å; S166-T168 PolarHBondContact O-N 3.1Å; S166-T168 PolarHBondContact O-OG1 2.87Å
169	S	37.3	Very low	43.7	Very low	101 Å²	101	126.4 Å²	126.4	71%	0.706	66%	0.66	S	S	*	*			trans	-36.3	138.7	-175	50	0	0	0	0	117.7
170	H	41.1	Very low	41.6	Very low	174 Å²	174	129.3 Å²	129.3	81%	0.806	68%	0.678	S	S	*	*	S	Bend	trans	58.1	117.8	140.6	-76.5	69.8	0	0	0	119.9	E172	H170-E172 PolarHBondContact O-N 2.98Å
171	S	39.4	Very low	40.2	Very low	113 Å²	113	137.3 Å²	137.3	79%	0.79	71%	0.713	S	S	*	*	S	Bend	trans	82	-10.3	139.7	60	0	0	0	0	123.7
172	E	42.3	Very low	39.6	Very low	176 Å²	176	139.2 Å²	139.2	82%	0.822	73%	0.729	S	S	*	*	S	Bend	trans	-127.4	12.2	-172.6	-69.9	-165.7	139.7	0	0	118.7	H170	H170-E172 PolarHBondContact O-N 2.98Å
173	K	40.6	Very low	39.4	Very low	154 Å²	154	135.6 Å²	135.6	67%	0.67	73%	0.73	S	S	*	*			trans	-117.2	18.8	-175.8	-78.5	-168.7	176.4	179.9	0	117.8	W175	K173-W175 PolarHBondContact O-N 3.37Å
174	V	38.8	Very low	39.8	Very low	113 Å²	113	128.3 Å²	128.3	69%	0.685	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-25.7	176.9	178.3	0	0	0	0	112.5
175	W	34.6	Very low	41.2	Very low	233 Å²	233	132.8 Å²	132.8	88%	0.883	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	2.5	-177.9	-59.8	109.5	0	0	0	115.8	K173	K173-W175 PolarHBondContact O-N 3.37Å
176	Q	37.5	Very low	43.4	Very low	131 Å²	131	131.8 Å²	131.8	61%	0.612	69%	0.687	S	S	*	*			trans	-91.7	4.2	175.8	-83.6	176.2	-5	0	0	114.1	Q178	Q176-Q178 PolarHBondContact O-N 2.83Å; Q176-Q178 VanDerWaalsContact O-N 3.16Å
177	M	42.4	Very low	46.2	Very low	130 Å²	130	127.5 Å²	127.5	64%	0.64	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-6.6	178.9	-79.3	-170.4	161.6	0	0	114.8	Q179 F186	M177-Q179 PolarHBondContact O-N 3.42Å; M177-F186 HydrophobicContact CE-CZ 4.49Å
178	Q	40.9	Very low	48.9	Very low	164 Å²	164	120.9 Å²	120.9	77%	0.766	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-4.4	-170.2	-157.5	114	1.9	0	0	115.6	Q176	Q176-Q178 PolarHBondContact O-N 2.83Å; Q176-Q178 VanDerWaalsContact O-N 3.16Å
179	Q	37.2	Very low	51.9	Low	164 Å²	164	115.4 Å²	115.4	77%	0.766	58%	0.582	S	S	*	*			trans	-132.1	17.2	-168.9	-65.2	-67.8	-67.9	0	0	116.1	M177 H181	M177-Q179 PolarHBondContact O-N 3.42Å; Q179-H181 PolarHBondContact O-N 2.79Å
180	V	44.2	Very low	54.8	Low	86 Å²	86	110.6 Å²	110.6	52%	0.521	55%	0.549	S	S	.	.			trans	-94.3	95.7	179.7	-168	0	0	0	0	111.6	M184	V180-M184 HydrophobicContact CB-CE 3.69Å; V180-M184 HydrophobicContact CG1-CE 3.79Å; V180-M184 HydrophobicContact CG2-CE 4.29Å
181	H	41.1	Very low	57.6	Low	176 Å²	176	102.3 Å²	102.3	82%	0.815	51%	0.51	S	S	*	.			trans	4.9	109.2	154.2	-75.4	-102.4	0	0	0	118.5	Q179 G183	Q179-H181 PolarHBondContact O-N 2.79Å; H181-G183 PolarHBondContact O-N 3.45Å
182	D	45.4	Very low	60.3	Low	178 Å²	178	97.2 Å²	97.2	95%	0.952	48%	0.475	S	S	*	.	S	Bend	trans	49	16.9	135.3	-134.3	19.5	0	0	0	122.6
183	G	45.5	Very low	62.9	Low	50 Å²	50	90.8 Å²	90.8	52%	0.515	46%	0.456	S	S	.	.			trans	-155.8	9.1	175	0	0	0	0	0	116	H181 F185	H181-G183 PolarHBondContact O-N 3.45Å; G183-F185 WeakPolarHBondContact O-CD2 3.39Å; G183-F185 PolarHBondContact O-N 3.22Å
184	M	48.7	Very low	65.6	Low	66 Å²	66	86.9 Å²	86.9	33%	0.325	44%	0.442	S	S	.	.			trans	-84.4	99.3	-173.7	-170.1	171.7	-76.4	0	0	110.6	Y162 V180 F186	Y162-M184 HydrophobicContact CD2-CE 4.37Å; Y162-M184 HydrophobicContact CE2-CE 4.38Å; V180-M184 HydrophobicContact CB-CE 3.69Å; V180-M184 HydrophobicContact CG1-CE 3.79Å; V180-M184 HydrophobicContact CG2-CE 4.29Å; M184-F186 HydrophobicContact CG-CD1 4.41Å; M184-F186 HydrophobicContact CG-CD2 4.09Å; M184-F186 HydrophobicContact CG-CE1 3.89Å; M184-F186 HydrophobicContact CG-CE2 3.48Å; M184-F186 VanDerWaalsContact CG-CE2 3.48Å; M184-F186 HydrophobicContact CG-CZ 3.42Å; M184-F186 VanDerWaalsContact CG-CZ 3.42Å; M184-F186 HydrophobicContact SD-CD2 4.45Å; M184-F186 HydrophobicContact SD-CE1 4.07Å; M184-F186 HydrophobicContact SD-CE2 3.33Å; M184-F186 WeakPolarHBondContact SD-CE2 3.5Å; M184-F186 HydrophobicContact SD-CZ 3.13Å; M184-F186 WeakPolarHBondContact SD-CZ 3.39Å
185	F	64.7	Low	68.5	Low	152 Å²	152	87.2 Å²	87.2	67%	0.667	43%	0.434	S	S	*	.			trans	-92.8	117.8	172.3	-61	-77.9	0	0	0	109.6	G183	G183-F185 WeakPolarHBondContact O-CD2 3.39Å; G183-F185 PolarHBondContact O-N 3.22Å
186	F	82.5	Confident	71.4	Confident	44 Å²	44	77.4 Å²	77.4	19%	0.193	40%	0.397	C	S	.	.			trans	-102.6	163.6	166	-61.4	-57.1	0	0	0	109.7	M177 M184 F188 S210	M177-F186 HydrophobicContact CE-CZ 4.49Å; M184-F186 HydrophobicContact CG-CD1 4.41Å; M184-F186 HydrophobicContact CG-CD2 4.09Å; M184-F186 HydrophobicContact CG-CE1 3.89Å; M184-F186 HydrophobicContact CG-CE2 3.48Å; M184-F186 VanDerWaalsContact CG-CE2 3.48Å; M184-F186 HydrophobicContact CG-CZ 3.42Å; M184-F186 VanDerWaalsContact CG-CZ 3.42Å; M184-F186 HydrophobicContact SD-CD2 4.45Å; M184-F186 HydrophobicContact SD-CE1 4.07Å; M184-F186 HydrophobicContact SD-CE2 3.33Å; M184-F186 WeakPolarHBondContact SD-CE2 3.5Å; M184-F186 HydrophobicContact SD-CZ 3.13Å; M184-F186 WeakPolarHBondContact SD-CZ 3.39Å; F186-F188 HydrophobicContact CB-CD2 4.05Å; F186-F188 HydrophobicContact CB-CE1 4.47Å; F186-F188 HydrophobicContact CB-CE2 3.29Å; F186-F188 HydrophobicContact CB-CZ 3.55Å; F186-F188 HydrophobicContact CD2-CE2 4.2Å; F186-F188 HydrophobicContact CD2-CZ 4.15Å; F186-F188 HydrophobicContact CG-CE2 4.01Å; F186-F188 AromaticContact CG-CZ 3.89Å; F186-F188 HydrophobicContact CG-CZ 3.89Å; F186-S210 VanDerWaalsContact O-CA 3.28Å; F186-S210 WeakPolarHBondContact O-CA 3.22Å
187	S	91.9	Very high	74.1	Confident	5 Å²	5	73.2 Å²	73.2	4%	0.035	39%	0.389	C	S	.	.			trans	-140	98.4	179.3	-55	0	0	0	0	108	Q120 Q155 H156 T159 L209	Q120-S187 PolarHBondContact OE1-OG 2.8Å; Q155-S187 CarbonylContact C-O 3.56Å; Q155-S187 WeakPolarHBondContact CA-O 3.37Å; H156-S187 PolarHBondContact N-O 3.32Å; T159-S187 PolarHBondContact O-OG 3.18Å; T159-S187 WeakPolarHBondContact OG1-CB 3.18Å; T159-S187 PolarHBondContact OG1-OG 3.17Å; S187-L209 WeakPolarHBondContact CA-O 3.36Å
188	F	96.2	Very high	76.5	Confident	13 Å²	13	77.8 Å²	77.8	6%	0.057	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	132.9	-177.6	-57.3	-76.9	0	0	0	110.7	I140 F154 Q155 F186 G190 A208 L209 L212 C216	I140-F188 HydrophobicContact CD1-CD1 4.11Å; I140-F188 HydrophobicContact CD1-CE1 3.6Å; F154-F188 CarbonylContact O-C 3.46Å; F154-F188 VanDerWaalsContact O-CA 3.3Å; F154-F188 WeakPolarHBondContact O-CA 3.13Å; Q155-F188 HydrophobicContact CB-CD1 3.9Å; Q155-F188 HydrophobicContact CB-CE1 3.92Å; Q155-F188 HydrophobicContact CG-CD1 4.32Å; Q155-F188 HydrophobicContact CG-CE1 4.09Å; F186-F188 HydrophobicContact CB-CD2 4.05Å; F186-F188 HydrophobicContact CB-CE1 4.47Å; F186-F188 HydrophobicContact CB-CE2 3.29Å; F186-F188 HydrophobicContact CB-CZ 3.55Å; F186-F188 HydrophobicContact CD2-CE2 4.2Å; F186-F188 HydrophobicContact CD2-CZ 4.15Å; F186-F188 HydrophobicContact CG-CE2 4.01Å; F186-F188 AromaticContact CG-CZ 3.89Å; F186-F188 HydrophobicContact CG-CZ 3.89Å; F188-G190 PolarHBondContact O-N 2.98Å; F188-G190 VanDerWaalsContact O-N 3.08Å; F188-A208 CarbonylContact O-C 3.59Å; F188-A208 VanDerWaalsContact O-CA 3.3Å; F188-A208 WeakPolarHBondContact O-CA 3.49Å; F188-L209 PolarHBondContact N-O 3.14Å; F188-L209 PolarHBondContact O-N 3.31Å; F188-L212 HydrophobicContact CB-CD1 4.39Å; F188-L212 HydrophobicContact CD1-CD1 3.73Å; F188-L212 HydrophobicContact CD2-CB 4.27Å; F188-L212 HydrophobicContact CD2-CD1 4.34Å; F188-L212 HydrophobicContact CE1-CD1 4.03Å; F188-L212 HydrophobicContact CE2-CB 4.06Å; F188-L212 HydrophobicContact CG-CD1 3.9Å; F188-L212 HydrophobicContact CZ-CB 4.28Å; F188-L212 HydrophobicContact CZ-CD1 4.44Å; F188-C216 HydrophobicContact CB-CB 3.99Å
189	L	98.4	Very high	78.9	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	115.2	173.1	-177.4	68	0	0	0	109.4	L45 L107 V122 W137 F154 V206 C216 W218	L45-L189 HydrophobicContact CD2-CD2 4.47Å; L107-L189 HydrophobicContact CD2-CD1 4.11Å; L107-L189 HydrophobicContact CD2-CD2 3.7Å; V122-L189 HydrophobicContact CB-CD1 4.39Å; V122-L189 HydrophobicContact CG1-CD1 3.79Å; V122-L189 HydrophobicContact CG2-CD1 4Å; W137-L189 HydrophobicContact CE3-CB 4.2Å; W137-L189 HydrophobicContact CH2-CB 4.13Å; W137-L189 HydrophobicContact CH2-CD1 4.1Å; W137-L189 HydrophobicContact CZ3-CB 3.65Å; W137-L189 HydrophobicContact CZ3-CD1 4.48Å; F154-L189 HydrophobicContact CB-CB 3.97Å; F154-L189 HydrophobicContact CB-CD2 4.4Å; F154-L189 HydrophobicContact CD2-CD2 3.79Å; F154-L189 HydrophobicContact CG-CD2 4.41Å; F154-L189 PolarHBondContact O-N 2.85Å; L189-V206 HydrophobicContact CD1-CG1 3.56Å; L189-V206 HydrophobicContact CG-CG1 4.46Å; L189-C216 WeakPolarHBondContact O-CA 3.25Å; L189-W218 HydrophobicContact CD2-CZ2 4.08Å; L189-W218 HydrophobicContact CG-CZ2 3.9Å; L189-W218 PolarHBondContact O-NE1 2.95Å
190	G	98.1	Very high	81.5	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	161.1	-178	0	0	0	0	0	112.9	F188 V206 C207 Q215	F188-G190 PolarHBondContact O-N 2.98Å; F188-G190 VanDerWaalsContact O-N 3.08Å; G190-V206 WeakPolarHBondContact O-CA 3.39Å; G190-C207 PolarHBondContact N-O 2.67Å; G190-C207 PolarHBondContact O-N 2.87Å; G190-Q215 CarbonylContact C-O 3.35Å; G190-Q215 WeakPolarHBondContact CA-O 3.45Å
191	M	98.5	Very high	83.9	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	123.3	173.3	-170.1	-175	-63.4	0	0	110.4	N38 Q41 R43 G63 H204 E205 V206 Q215 W218	N38-M191 HydrophobicContact CB-CB 4.17Å; N38-M191 HydrophobicContact CB-CE 3.88Å; N38-M191 HydrophobicContact CB-SD 4.1Å; Q41-M191 HydrophobicContact CB-CG 4.47Å; Q41-M191 HydrophobicContact CB-SD 3.69Å; Q41-M191 HydrophobicContact CG-CB 4.3Å; Q41-M191 HydrophobicContact CG-CG 4.03Å; Q41-M191 HydrophobicContact CG-SD 3.91Å; R43-M191 HydrophobicContact CB-CE 3.83Å; R43-M191 HydrophobicContact CB-SD 3.5Å; R43-M191 WeakPolarHBondContact CB-SD 3.34Å; R43-M191 HydrophobicContact CG-SD 4.02Å; G63-M191 VanDerWaalsContact CA-CE 3.44Å; M191-H204 HydrophobicContact CG-CB 3.87Å; M191-H204 HydrophobicContact SD-CB 3.78Å; M191-E205 WeakPolarHBondContact CA-O 3.39Å; M191-E205 WeakPolarHBondContact CG-O 3.12Å; M191-V206 HydrophobicContact CB-CG2 4.34Å; M191-V206 HydrophobicContact CE-CG2 3.93Å; M191-V206 HydrophobicContact CG-CG2 4.07Å; M191-Q215 PolarHBondContact N-O 2.77Å; M191-Q215 WeakPolarHBondContact O-CB 3.11Å; M191-Q215 WeakPolarHBondContact O-CG 3.22Å; M191-W218 HydrophobicContact CB-CH2 4.15Å; M191-W218 HydrophobicContact CB-CZ2 4.23Å; M191-W218 HydrophobicContact CE-CH2 3.43Å; M191-W218 VanDerWaalsContact CE-CH2 3.43Å; M191-W218 HydrophobicContact CE-CZ3 3.7Å
192	T	97.4	Very high	86.5	Confident	7 Å²	7	61.6 Å²	61.6	4%	0.043	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	171.7	-179.4	83.2	0	0	0	0	111.6	N194 H204 E205 C207	T192-N194 VanDerWaalsContact C-N 3.26Å; T192-N194 WeakPolarHBondContact OG1-CB 3.42Å; T192-N194 PolarHBondContact OG1-N 2.86Å; T192-N194 VanDerWaalsContact OG1-N 3.08Å; T192-N194 PolarHBondContact OG1-ND2 2.77Å; T192-H204 PolarHBondContact O-ND1 2.99Å; T192-E205 HydrophobicContact CG2-CG 4.41Å; T192-E205 WeakPolarHBondContact CG2-OE2 3.45Å; T192-E205 PolarHBondContact N-O 2.94Å; T192-E205 WeakPolarHBondContact OG1-CB 3.36Å; T192-E205 PolarHBondContact OG1-OE2 2.01Å; T192-C207 WeakPolarHBondContact CG2-SG 3.44Å
193	G	96.6	Very high	89	Confident	41 Å²	41	54.7 Å²	54.7	42%	0.423	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-8.7	169.2	0	0	0	0	0	113.8
194	N	98	Very high	91.5	Very high	71 Å²	71	52.6 Å²	52.6	38%	0.38	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	142.8	-177.9	-58.9	-30.1	0	0	0	110.3	L116 T192 H204 E205	L116-N194 HydrophobicContact CB-CB 3.95Å; L116-N194 HydrophobicContact CD1-CB 3.96Å; T192-N194 VanDerWaalsContact C-N 3.26Å; T192-N194 WeakPolarHBondContact OG1-CB 3.42Å; T192-N194 PolarHBondContact OG1-N 2.86Å; T192-N194 VanDerWaalsContact OG1-N 3.08Å; T192-N194 PolarHBondContact OG1-ND2 2.77Å; N194-H204 CarbonylContact O-C 3.58Å; N194-H204 VanDerWaalsContact O-CA 3.29Å; N194-H204 WeakPolarHBondContact O-CA 3.45Å; N194-E205 HydrophobicContact CB-CB 4.34Å; N194-E205 PolarHBondContact ND2-OE2 2.72Å; N194-E205 VanDerWaalsContact ND2-OE2 3.07Å; N194-E205 PolarHBondContact O-N 3.26Å
195	K	97.9	Very high	93.9	Very high	120 Å²	120	49.4 Å²	49.4	52%	0.522	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	138.5	-175.6	-61.1	171.9	-171.2	169.6	0	110.5	Q203 H204	K195-Q203 CarbonylContact C-O 3.56Å; K195-Q203 VanDerWaalsContact CA-O 3.28Å; K195-Q203 WeakPolarHBondContact CA-O 3.37Å; K195-H204 WeakPolarHBondContact CE-NE2 3.26Å
196	Y	96.7	Very high	95.5	Very high	27 Å²	27	42.2 Å²	42.2	11%	0.106	23%	0.231	C	C	.	.			trans	-72.1	148.3	174.1	-67.7	-80.7	0	0	0	111.7	Y52 T62 P115 L116 I200 N201 G202 Q203 E205	Y52-Y196 WeakPolarHBondContact CE1-OH 3.33Å; T62-Y196 HydrophobicContact CG2-CD2 4.12Å; T62-Y196 HydrophobicContact CG2-CE2 3.91Å; P115-Y196 HydrophobicContact CB-CE1 4.11Å; P115-Y196 HydrophobicContact CG-CE1 4.3Å; L116-Y196 HydrophobicContact CD1-CD1 3.75Å; L116-Y196 HydrophobicContact CD1-CD2 4.17Å; L116-Y196 HydrophobicContact CD1-CE1 3.81Å; L116-Y196 HydrophobicContact CD1-CE2 4.24Å; L116-Y196 HydrophobicContact CD1-CG 3.92Å; L116-Y196 HydrophobicContact CD2-CD1 4.09Å; L116-Y196 HydrophobicContact CD2-CE1 4.09Å; L116-Y196 HydrophobicContact CG-CD1 3.99Å; L116-Y196 HydrophobicContact CG-CE1 3.68Å; Y196-I200 HydrophobicContact CD1-CD1 4.11Å; Y196-I200 HydrophobicContact CD2-CD1 3.62Å; Y196-I200 HydrophobicContact CD2-CG1 4.46Å; Y196-I200 HydrophobicContact CE2-CD1 4.24Å; Y196-I200 HydrophobicContact CG-CD1 3.55Å; Y196-I200 HydrophobicContact CG-CG1 4.02Å; Y196-N201 CarbonylContact O-C 3.57Å; Y196-N201 WeakPolarHBondContact O-CA 3.09Å; Y196-G202 PolarHBondContact O-N 3.07Å; Y196-Q203 WeakPolarHBondContact CD2-O 3.09Å; Y196-Q203 PolarHBondContact N-O 3.01Å; Y196-E205 HydrophobicContact CE2-CB 4.17Å
197	G	94.7	Very high	96.3	Very high	43 Å²	43	40.1 Å²	40.1	44%	0.443	22%	0.222	S	C	.	.			trans	-84	-144	163.7	0	0	0	0	0	111.3	I200 N201	G197-I200 CarbonylContact O-C 3.28Å; G197-I200 PolarHBondContact O-N 2.8Å; G197-N201 VanDerWaalsContact O-CA 3.26Å; G197-N201 WeakPolarHBondContact O-CA 3.33Å; G197-N201 PolarHBondContact O-N 2.56Å
198	R	92.2	Very high	96.5	Very high	227 Å²	227	40 Å²	40	86%	0.857	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	146.8	176.2	-66.1	-174.4	176.6	-158.8	-0.1	110.9	N201	R198-N201 WeakPolarHBondContact CA-OD1 3.33Å; R198-N201 WeakPolarHBondContact CG-OD1 3.42Å; R198-N201 PolarHBondContact N-OD1 2.8Å
199	P	91.7	Very high	96.4	Very high	98 Å²	98	40.4 Å²	40.4	64%	0.636	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	cis	-82	-6.4	-0.2	30.6	-31.8	0	0	0	114.6	V50 N201	V50-P199 HydrophobicContact CG1-CG 3.86Å; V50-P199 HydrophobicContact CG2-CG 4.35Å; P199-N201 PolarHBondContact O-ND2 2.78Å
200	I	92.1	Very high	96	Very high	16 Å²	16	44.5 Å²	44.5	8%	0.082	25%	0.252	C	S	.	.	S	Bend	trans	-113.7	48.5	-165.6	52.4	159	0	0	0	112.7	H48 V50 T62 Y196 G197 G202 Q203	H48-I200 WeakPolarHBondContact NE2-CG2 3.46Å; V50-I200 HydrophobicContact CB-CG2 4.26Å; V50-I200 HydrophobicContact CG1-CG2 4.12Å; V50-I200 HydrophobicContact CG2-CG2 4.07Å; T62-I200 HydrophobicContact CG2-CD1 3.8Å; Y196-I200 HydrophobicContact CD1-CD1 4.11Å; Y196-I200 HydrophobicContact CD2-CD1 3.62Å; Y196-I200 HydrophobicContact CD2-CG1 4.46Å; Y196-I200 HydrophobicContact CE2-CD1 4.24Å; Y196-I200 HydrophobicContact CG-CD1 3.55Å; Y196-I200 HydrophobicContact CG-CG1 4.02Å; G197-I200 CarbonylContact O-C 3.28Å; G197-I200 PolarHBondContact O-N 2.8Å; I200-G202 PolarHBondContact O-N 2.86Å; I200-Q203 WeakPolarHBondContact O-CB 3.49Å; I200-Q203 WeakPolarHBondContact O-CG 3.16Å; I200-Q203 PolarHBondContact O-N 3.33Å
201	N	93.9	Very high	95.5	Very high	101 Å²	101	47.9 Å²	47.9	54%	0.54	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	130.3	-167	-54.6	-90.6	0	0	0	112.8	Y196 G197 R198 P199 Q203	Y196-N201 CarbonylContact O-C 3.57Å; Y196-N201 WeakPolarHBondContact O-CA 3.09Å; G197-N201 VanDerWaalsContact O-CA 3.26Å; G197-N201 WeakPolarHBondContact O-CA 3.33Å; G197-N201 PolarHBondContact O-N 2.56Å; R198-N201 WeakPolarHBondContact CA-OD1 3.33Å; R198-N201 WeakPolarHBondContact CG-OD1 3.42Å; R198-N201 PolarHBondContact N-OD1 2.8Å; P199-N201 PolarHBondContact O-ND2 2.78Å; N201-Q203 PolarHBondContact O-N 3.42Å
202	G	95.6	Very high	95.1	Very high	34 Å²	34	52.4 Å²	52.4	35%	0.351	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	-4.7	173	0	0	0	0	0	115.2	Y196 I200	Y196-G202 PolarHBondContact O-N 3.07Å; I200-G202 PolarHBondContact O-N 2.86Å
203	Q	98	Very high	94.9	Very high	33 Å²	33	53.9 Å²	53.9	15%	0.154	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-72	139	171.4	-61.3	-172.9	12.8	0	0	110.1	H46 H48 T62 G63 K195 Y196 I200 N201	H46-Q203 PolarHBondContact ND1-OE1 3.46Å; H48-Q203 PolarHBondContact CE1-OE1 3.37Å; T62-Q203 VanDerWaalsContact CB-OE1 3.31Å; T62-Q203 HydrophobicContact CG2-CB 4.31Å; T62-Q203 PolarHBondContact OG1-OE1 3.5Å; G63-Q203 CarbonylContact O-C 3.48Å; G63-Q203 WeakPolarHBondContact O-CA 3.42Å; K195-Q203 CarbonylContact C-O 3.56Å; K195-Q203 VanDerWaalsContact CA-O 3.28Å; K195-Q203 WeakPolarHBondContact CA-O 3.37Å; Y196-Q203 WeakPolarHBondContact CD2-O 3.09Å; Y196-Q203 PolarHBondContact N-O 3.01Å; I200-Q203 WeakPolarHBondContact O-CB 3.49Å; I200-Q203 WeakPolarHBondContact O-CG 3.16Å; I200-Q203 PolarHBondContact O-N 3.33Å; N201-Q203 PolarHBondContact O-N 3.42Å
204	H	98.5	Very high	94.8	Very high	6 Å²	6	57.3 Å²	57.3	3%	0.028	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	149.6	-179.1	-77.7	-127.9	0	0	0	111.4	Q41 T62 G63 M191 T192 N194 K195	Q41-H204 PolarHBondContact OE1-CE1 3.26Å; Q41-H204 VanDerWaalsContact OE1-CE1 3.28Å; T62-H204 CarbonylContact C-O 3.53Å; T62-H204 WeakPolarHBondContact CA-O 3.24Å; T62-H204 WeakPolarHBondContact CB-O 3.44Å; G63-H204 PolarHBondContact N-O 3.39Å; G63-H204 PolarHBondContact O-N 2.86Å; M191-H204 HydrophobicContact CG-CB 3.87Å; M191-H204 HydrophobicContact SD-CB 3.78Å; T192-H204 PolarHBondContact O-ND1 2.99Å; N194-H204 CarbonylContact O-C 3.58Å; N194-H204 VanDerWaalsContact O-CA 3.29Å; N194-H204 WeakPolarHBondContact O-CA 3.45Å; K195-H204 WeakPolarHBondContact CE-NE2 3.26Å
205	E	98.4	Very high	94.8	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	132.8	168.9	175	-175.5	-137	0	0	111.2	S114 L116 S117 M191 T192 N194 Y196 C207	S114-E205 WeakPolarHBondContact CB-OE1 3.26Å; S114-E205 PolarHBondContact OG-OE1 3.5Å; L116-E205 HydrophobicContact CD1-CB 4.17Å; L116-E205 PolarHBondContact N-OE1 2.93Å; S117-E205 WeakPolarHBondContact CB-OE2 3.5Å; S117-E205 PolarHBondContact N-OE1 2.96Å; S117-E205 PolarHBondContact N-OE2 3.14Å; S117-E205 VanDerWaalsContact OG-CD 3.29Å; S117-E205 PolarHBondContact OG-OE1 2.84Å; S117-E205 PolarHBondContact OG-OE2 3.4Å; M191-E205 WeakPolarHBondContact CA-O 3.39Å; M191-E205 WeakPolarHBondContact CG-O 3.12Å; T192-E205 HydrophobicContact CG2-CG 4.41Å; T192-E205 WeakPolarHBondContact CG2-OE2 3.45Å; T192-E205 PolarHBondContact N-O 2.94Å; T192-E205 WeakPolarHBondContact OG1-CB 3.36Å; T192-E205 PolarHBondContact OG1-OE2 2.01Å; N194-E205 HydrophobicContact CB-CB 4.34Å; N194-E205 PolarHBondContact ND2-OE2 2.72Å; N194-E205 VanDerWaalsContact ND2-OE2 3.07Å; N194-E205 PolarHBondContact O-N 3.26Å; Y196-E205 HydrophobicContact CE2-CB 4.17Å; E205-C207 HydrophobicContact CG-CB 4.3Å
206	V	98.8	Very high	94.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.6	165.9	172.6	0	0	0	0	107.5	L45 I61 T62 V122 L189 G190 M191 W218	L45-V206 HydrophobicContact CD1-CB 4.48Å; L45-V206 HydrophobicContact CD1-CG1 3.88Å; L45-V206 HydrophobicContact CD1-CG2 4.07Å; I61-V206 HydrophobicContact CG2-CB 3.83Å; I61-V206 HydrophobicContact CG2-CG1 3.72Å; I61-V206 HydrophobicContact CG2-CG2 4.33Å; T62-V206 VanDerWaalsContact C-CG2 3.48Å; V122-V206 HydrophobicContact CB-CG1 4.34Å; V122-V206 HydrophobicContact CG1-CG1 4.17Å; L189-V206 HydrophobicContact CD1-CG1 3.56Å; L189-V206 HydrophobicContact CG-CG1 4.46Å; G190-V206 WeakPolarHBondContact O-CA 3.39Å; M191-V206 HydrophobicContact CB-CG2 4.34Å; M191-V206 HydrophobicContact CE-CG2 3.93Å; M191-V206 HydrophobicContact CG-CG2 4.07Å; V206-W218 HydrophobicContact CG2-CH2 4.28Å
207	C	98.2	Very high	94.9	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	-147.7	171.7	-176.1	64.4	0	0	0	0	110	Q120 V122 G190 T192 E205	Q120-C207 CarbonylContact O-C 3.59Å; Q120-C207 WeakPolarHBondContact O-CA 3.32Å; Q120-C207 VanDerWaalsContact O-CB 3.3Å; Q120-C207 WeakPolarHBondContact O-CB 2.9Å; V122-C207 VanDerWaalsContact CG2-C 3.5Å; G190-C207 PolarHBondContact N-O 2.67Å; G190-C207 PolarHBondContact O-N 2.87Å; T192-C207 WeakPolarHBondContact CG2-SG 3.44Å; E205-C207 HydrophobicContact CG-CB 4.3Å
208	A	96.8	Very high	95	Very high	3 Å²	3	52.2 Å²	52.2	3%	0.025	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.6	172.5	0	0	0	0	0	109.8	Q120 V122 F188	Q120-A208 HydrophobicContact CB-CB 3.83Å; Q120-A208 HydrophobicContact CG-CB 4.02Å; Q120-A208 PolarHBondContact N-O 2.81Å; Q120-A208 PolarHBondContact O-N 3.29Å; V122-A208 HydrophobicContact CG2-CB 3.95Å; F188-A208 CarbonylContact O-C 3.59Å; F188-A208 VanDerWaalsContact O-CA 3.3Å; F188-A208 WeakPolarHBondContact O-CA 3.49Å
209	L	94.4	Very high	95.3	Very high	22 Å²	22	45.3 Å²	45.3	12%	0.115	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	144.9	-177.3	-61.9	178.9	0	0	0	110.8	S187 F188 S211 Q215	S187-L209 WeakPolarHBondContact CA-O 3.36Å; F188-L209 PolarHBondContact N-O 3.14Å; F188-L209 PolarHBondContact O-N 3.31Å; L209-S211 VanDerWaalsContact C-N 3.3Å; L209-S211 PolarHBondContact O-N 2.81Å; L209-Q215 HydrophobicContact CD1-CB 3.69Å
210	S	89.9	Confident	95.6	Very high	85 Å²	85	41.3 Å²	41.3	59%	0.594	23%	0.226	S	C	*	.	S	Bend	trans	-74.8	-17.1	-175	56.2	0	0	0	0	115	F186	F186-S210 VanDerWaalsContact O-CA 3.28Å; F186-S210 WeakPolarHBondContact O-CA 3.22Å
211	S	87.9	Confident	95.7	Very high	71 Å²	71	42 Å²	42	50%	0.497	24%	0.235	S	C	.	.	S	Bend	trans	-131	146.3	-178.7	53.5	0	0	0	0	111	L209 S213 C216	L209-S211 VanDerWaalsContact C-N 3.3Å; L209-S211 PolarHBondContact O-N 2.81Å; S211-S213 PolarHBondContact O-N 2.95Å; S211-C216 PolarHBondContact O-SG 3.17Å
212	L	89	Confident	95.7	Very high	96 Å²	96	40.3 Å²	40.3	50%	0.503	22%	0.223	S	C	.	.			trans	-71.6	123.1	174.2	-163	71.3	0	0	0	108.7	F188 C216	F188-L212 HydrophobicContact CB-CD1 4.39Å; F188-L212 HydrophobicContact CD1-CD1 3.73Å; F188-L212 HydrophobicContact CD2-CB 4.27Å; F188-L212 HydrophobicContact CD2-CD1 4.34Å; F188-L212 HydrophobicContact CE1-CD1 4.03Å; F188-L212 HydrophobicContact CE2-CB 4.06Å; F188-L212 HydrophobicContact CG-CD1 3.9Å; F188-L212 HydrophobicContact CZ-CB 4.28Å; F188-L212 HydrophobicContact CZ-CD1 4.44Å; L212-C216 HydrophobicContact CD1-CB 3.94Å
213	S	92.9	Very high	95.6	Very high	37 Å²	37	40.1 Å²	40.1	26%	0.259	22%	0.222	S	C	.	.			trans	-145.1	177.2	-178.5	68.9	0	0	0	0	110.7	S211 Q215 C216	S211-S213 PolarHBondContact O-N 2.95Å; S213-Q215 PolarHBondContact O-N 3.02Å; S213-Q215 VanDerWaalsContact O-N 3.09Å; S213-Q215 PolarHBondContact OG-N 2.92Å; S213-C216 WeakPolarHBondContact O-CB 3.22Å; S213-C216 PolarHBondContact O-N 2.79Å
214	E	95.8	Very high	95.4	Very high	113 Å²	113	42.7 Å²	42.7	53%	0.528	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-56.4	-25.8	174.3	-69.2	-59.5	121.2	0	0	113.4	K40 C216 R217	K40-E214 HydrophobicContact CD-CB 4.48Å; K40-E214 HydrophobicContact CG-CB 4.42Å; E214-C216 VanDerWaalsContact C-N 3.25Å; E214-C216 PolarHBondContact O-N 2.92Å; E214-R217 VanDerWaalsContact CD-CD 3.46Å; E214-R217 PolarHBondContact O-N 3.49Å; E214-R217 WeakPolarHBondContact OE1-CD 3.26Å; E214-R217 IonicContact OE1-NE 3.67Å; E214-R217 WeakPolarHBondContact OE2-CD 3.37Å; E214-R217 IonicContact OE2-NE 3.53Å
215	Q	97.2	Very high	95.1	Very high	62 Å²	62	45 Å²	45	29%	0.29	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-71.1	-21.8	175.7	-65.2	178	107.5	0	0	112.6	N38 G190 M191 L209 S213	N38-Q215 PolarHBondContact ND2-O 3.34Å; G190-Q215 CarbonylContact C-O 3.35Å; G190-Q215 WeakPolarHBondContact CA-O 3.45Å; M191-Q215 PolarHBondContact N-O 2.77Å; M191-Q215 WeakPolarHBondContact O-CB 3.11Å; M191-Q215 WeakPolarHBondContact O-CG 3.22Å; L209-Q215 HydrophobicContact CD1-CB 3.69Å; S213-Q215 PolarHBondContact O-N 3.02Å; S213-Q215 VanDerWaalsContact O-N 3.09Å; S213-Q215 PolarHBondContact OG-N 2.92Å
216	C	97.8	Very high	94.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-93.4	-0.2	-179.1	-50.7	0	0	0	0	113	S153 F188 L189 S211 L212 S213 E214 W218	S153-C216 WeakPolarHBondContact CB-O 2.99Å; S153-C216 PolarHBondContact OG-O 2.84Å; F188-C216 HydrophobicContact CB-CB 3.99Å; L189-C216 WeakPolarHBondContact O-CA 3.25Å; S211-C216 PolarHBondContact O-SG 3.17Å; L212-C216 HydrophobicContact CD1-CB 3.94Å; S213-C216 WeakPolarHBondContact O-CB 3.22Å; S213-C216 PolarHBondContact O-N 2.79Å; E214-C216 VanDerWaalsContact C-N 3.25Å; E214-C216 PolarHBondContact O-N 2.92Å; C216-W218 VanDerWaalsContact O-CD1 3.24Å
217	R	98.2	Very high	93.9	Very high	93 Å²	93	52.7 Å²	52.7	35%	0.351	29%	0.29	S	S	.	.			trans	-86.1	127.8	-179.8	-68.2	172.6	71.5	78.7	-9	109.9	N38 P39 V151 E214	N38-R217 PolarHBondContact ND2-O 2.93Å; P39-R217 WeakPolarHBondContact CD-O 3.47Å; V151-R217 HydrophobicContact CG1-CB 3.75Å; V151-R217 HydrophobicContact CG1-CG 3.88Å; E214-R217 VanDerWaalsContact CD-CD 3.46Å; E214-R217 PolarHBondContact O-N 3.49Å; E214-R217 WeakPolarHBondContact OE1-CD 3.26Å; E214-R217 IonicContact OE1-NE 3.67Å; E214-R217 WeakPolarHBondContact OE2-CD 3.37Å; E214-R217 IonicContact OE2-NE 3.53Å
218	W	98.7	Very high	92.9	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	158	176.3	-60.1	88.3	0	0	0	110.3	L36 I37 N38 L45 V151 V152 F154 L189 M191 V206 C216	L36-W218 HydrophobicContact CB-CE3 3.89Å; L36-W218 HydrophobicContact CB-CZ3 4.45Å; L36-W218 HydrophobicContact CD2-CB 4.47Å; I37-W218 CarbonylContact O-C 3.6Å; I37-W218 VanDerWaalsContact O-CA 3.3Å; I37-W218 WeakPolarHBondContact O-CA 3.06Å; N38-W218 HydrophobicContact CB-CD2 4.41Å; N38-W218 HydrophobicContact CB-CE3 3.91Å; N38-W218 HydrophobicContact CB-CH2 4.17Å; N38-W218 HydrophobicContact CB-CZ3 3.78Å; L45-W218 HydrophobicContact CB-CH2 4.18Å; L45-W218 HydrophobicContact CB-CZ3 3.82Å; L45-W218 HydrophobicContact CD1-CH2 3.96Å; L45-W218 HydrophobicContact CD1-CZ3 4.45Å; V151-W218 WeakPolarHBondContact CA-O 3.44Å; V152-W218 HydrophobicContact CG1-CB 3.98Å; V152-W218 PolarHBondContact N-O 2.8Å; V152-W218 PolarHBondContact O-N 3.15Å; F154-W218 HydrophobicContact CD2-CG 4.43Å; F154-W218 HydrophobicContact CE2-CB 4.14Å; F154-W218 HydrophobicContact CE2-CG 4.21Å; L189-W218 HydrophobicContact CD2-CZ2 4.08Å; L189-W218 HydrophobicContact CG-CZ2 3.9Å; L189-W218 PolarHBondContact O-NE1 2.95Å; M191-W218 HydrophobicContact CB-CH2 4.15Å; M191-W218 HydrophobicContact CB-CZ2 4.23Å; M191-W218 HydrophobicContact CE-CH2 3.43Å; M191-W218 VanDerWaalsContact CE-CH2 3.43Å; M191-W218 HydrophobicContact CE-CZ3 3.7Å; V206-W218 HydrophobicContact CG2-CH2 4.28Å; C216-W218 VanDerWaalsContact O-CD1 3.24Å
219	K	97.8	Very high	91.8	Very high	82 Å²	82	61.4 Å²	61.4	36%	0.357	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.8	167.2	-68.3	-173.1	174.4	-171.8	0	108.8	L36 I37 P39 V151	L36-K219 CarbonylContact C-O 3.38Å; L36-K219 WeakPolarHBondContact CA-O 3.18Å; I37-K219 HydrophobicContact CG2-CB 3.89Å; I37-K219 WeakPolarHBondContact CG2-O 3.44Å; I37-K219 PolarHBondContact N-O 3Å; I37-K219 PolarHBondContact O-N 3.14Å; P39-K219 HydrophobicContact CG-CD 4.14Å; P39-K219 HydrophobicContact CG-CG 4.01Å; V151-K219 HydrophobicContact CG2-CD 4.26Å; V151-K219 HydrophobicContact CG2-CG 3.97Å
220	T	97.1	Very high	90.8	Very high	13 Å²	13	68.8 Å²	68.8	8%	0.08	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	140.1	162.3	38.6	0	0	0	0	109.9	V28 I34 K35 L36 W146 R148 Y225	V28-T220 HydrophobicContact CG2-CG2 3.83Å; I34-T220 HydrophobicContact CB-CG2 4.23Å; I34-T220 HydrophobicContact CD1-CG2 3.9Å; I34-T220 HydrophobicContact CG2-CG2 4.17Å; K35-T220 WeakPolarHBondContact O-CA 3.27Å; L36-T220 HydrophobicContact CD2-CG2 4.19Å; W146-T220 HydrophobicContact CZ2-CG2 3.71Å; R148-T220 VanDerWaalsContact C-OG1 3.23Å; R148-T220 VanDerWaalsContact CA-OG1 3.25Å; R148-T220 WeakPolarHBondContact CA-OG1 3.35Å; R148-T220 PolarHBondContact O-OG1 2.77Å; T220-Y225 WeakPolarHBondContact CB-OH 3.25Å
221	A	94.1	Very high	89.5	Confident	32 Å²	32	76.1 Å²	76.1	26%	0.264	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	-120.4	174.1	0	0	0	0	0	108.9	K35 I37 Y225	K35-A221 HydrophobicContact CB-CB 4.4Å; K35-A221 PolarHBondContact O-N 2.52Å; I37-A221 HydrophobicContact CB-CB 4.39Å; I37-A221 HydrophobicContact CG2-CB 4.14Å; A221-Y225 PolarHBondContact O-OH 3.15Å
222	E	93.7	Very high	88.1	Confident	64 Å²	64	83.2 Å²	83.2	30%	0.299	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	141.7	177	-54.6	78.6	-170.5	0	0	111	I34 K35 R44 V67	I34-E222 CarbonylContact C-O 3.5Å; K35-E222 HydrophobicContact CD-CB 4.19Å; K35-E222 WeakPolarHBondContact CD-OE2 3.18Å; K35-E222 HydrophobicContact CG-CB 4.24Å; K35-E222 PolarHBondContact N-O 3.45Å; R44-E222 IonicContact CZ-OE1 3.51Å; R44-E222 IonicContact CZ-OE2 2.86Å; R44-E222 IonicContact NE-OE1 2.7Å; R44-E222 IonicContact NE-OE2 2.78Å; R44-E222 PolarHBondContact NE-OE2 3.21Å; R44-E222 IonicContact NH2-OE1 3.3Å; R44-E222 PolarHBondContact NH2-OE1 3.14Å; R44-E222 IonicContact NH2-OE2 3.79Å; R44-E222 PolarHBondContact NH2-OE2 3.23Å; V67-E222 WeakPolarHBondContact CG1-OE1 3.43Å
223	G	93.4	Very high	86.2	Confident	30 Å²	30	86.7 Å²	86.7	31%	0.309	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.8	166.9	178.4	0	0	0	0	0	114.1	V33	V33-G223 CarbonylContact O-C 3.57Å; V33-G223 WeakPolarHBondContact O-CA 3.48Å
224	V	94.4	Very high	85.8	Confident	88 Å²	88	89.2 Å²	89.2	53%	0.533	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	118.3	171	-179.8	0	0	0	0	107.5	S32 V33 F226	S32-V224 WeakPolarHBondContact CA-O 3.24Å; V33-V224 PolarHBondContact N-O 3.05Å; V33-V224 PolarHBondContact O-N 2.93Å; V224-F226 HydrophobicContact CG1-CZ 4.47Å
225	Y	92.6	Very high	85.3	Confident	53 Å²	53	87.9 Å²	87.9	21%	0.208	45%	0.445	C	S	.	.			trans	-109.4	133.9	-176.3	-56.2	-89.2	0	0	0	110.2	V28 S32 I34 R148 T220 A221	V28-Y225 HydrophobicContact CG2-CE1 4.25Å; S32-Y225 WeakPolarHBondContact OG-CA 3.21Å; I34-Y225 HydrophobicContact CG2-CD1 4.25Å; I34-Y225 HydrophobicContact CG2-CE1 3.47Å; I34-Y225 VanDerWaalsContact CG2-CE1 3.47Å; R148-Y225 HydrophobicContact CG-CD1 4.03Å; R148-Y225 HydrophobicContact CG-CE1 3.72Å; T220-Y225 WeakPolarHBondContact CB-OH 3.25Å; A221-Y225 PolarHBondContact O-OH 3.15Å
226	F	87.9	Confident	84.6	Confident	71 Å²	71	89.3 Å²	89.3	31%	0.311	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-96.2	140.2	178.2	-68	-80.5	0	0	0	110.9	T29 T31 S32 R86 G87 V224	T29-F226 WeakPolarHBondContact CB-O 3.24Å; T29-F226 WeakPolarHBondContact CG2-O 3.38Å; T29-F226 PolarHBondContact OG1-O 3Å; T31-F226 HydrophobicContact CG2-CD2 4.45Å; T31-F226 HydrophobicContact CG2-CE2 4.3Å; T31-F226 WeakPolarHBondContact O-CD2 3.49Å; T31-F226 WeakPolarHBondContact O-CE2 3.39Å; S32-F226 PolarHBondContact OG-N 3.48Å; R86-F226 HydrophobicContact CG-CB 3.8Å; R86-F226 HydrophobicContact CG-CD1 4.11Å; R86-F226 HydrophobicContact CG-CD2 4.31Å; R86-F226 HydrophobicContact CG-CG 3.81Å; G87-F226 WeakPolarHBondContact CA-O 3.21Å; V224-F226 HydrophobicContact CG1-CZ 4.47Å
227	T	83.5	Confident	83.9	Confident	91 Å²	91	94.6 Å²	94.6	56%	0.558	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-89.9	152.2	165.6	56.3	0	0	0	0	109.8
228	K	77.6	Confident	83	Confident	112 Å²	112	94.7 Å²	94.7	49%	0.487	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-53	134.2	172.1	-68.8	-177.4	179	158.2	0	109.5	G87 E89 K230	G87-K228 WeakPolarHBondContact O-CG 3.39Å; E89-K228 IonicContact OE2-NZ 3.71Å; K228-K230 PolarHBondContact O-N 2.83Å
229	P	74.8	Confident	81.9	Confident	74 Å²	74	101 Å²	101	48%	0.481	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-54.6	132.9	173.9	-23.5	31.7	0	0	0	109.9	R86 R231	R86-P229 VanDerWaalsContact O-CD 3.3Å; R86-P229 WeakPolarHBondContact O-CD 3.49Å; P229-R231 PolarHBondContact O-N 3.42Å
230	K	71.6	Confident	80.8	Confident	178 Å²	178	102.4 Å²	102.4	77%	0.774	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-62.2	125.5	165.3	-68	-174.7	178.8	-177.5	0	106.7	K228 Y232	K228-K230 PolarHBondContact O-N 2.83Å; K230-Y232 PolarHBondContact O-N 3.22Å
231	R	62.8	Low	79.5	Confident	239 Å²	239	109.2 Å²	109.2	90%	0.902	57%	0.568	S	S	*	*			trans	-65.7	107.6	164.6	-69.5	-172.2	179.7	-173.9	0.2	105.5	P229 A233	P229-R231 PolarHBondContact O-N 3.42Å; R231-A233 VanDerWaalsContact C-N 3.31Å; R231-A233 PolarHBondContact O-N 3.32Å; R231-A233 VanDerWaalsContact O-N 3.09Å
232	Y	60.3	Low	78.3	Confident	219 Å²	219	115.7 Å²	115.7	86%	0.859	59%	0.593	S	S	*	*			trans	-69.3	101.8	161.2	-71.1	-91.1	0	0	0	104.8	K230	K230-Y232 PolarHBondContact O-N 3.22Å
233	A	47.2	Very low	76.9	Confident	169 Å²	169	120.4 Å²	120.4	100%	1.397	62%	0.62	S	S	*	*			trans	-74.3	0	163.4	0	0	0	0	0	108.6	R231	R231-A233 VanDerWaalsContact C-N 3.31Å; R231-A233 PolarHBondContact O-N 3.32Å; R231-A233 VanDerWaalsContact O-N 3.09Å

Retrieved 233 of 233 residues in 260.3 ms (Link to these results)

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