A0A3Q0KJM0_SCHMA Loading...

Glutaminase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KJM0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 149 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.2	Very low	52.1	Low	235 Å²	235	117.4 Å²	117.4	100%	1.158	61%	0.606	S	S	*	*				0	29.8	0	-75.9	175.3	95.3	0	0	113.2
2	C	48.2	Very low	53.5	Low	103 Å²	103	117.8 Å²	117.8	70%	0.696	60%	0.601	S	S	*	*			trans	-102	-10.1	-174.9	-74.9	0	0	0	0	116.7	S6	C2-S6 PolarHBondContact O-N 3.11Å
3	K	44	Very low	54.7	Low	194 Å²	194	109.1 Å²	109.1	84%	0.843	56%	0.557	S	S	*	*	H	α-helix	trans	-69.9	-41.3	-172.4	-77.6	-172.3	174.7	-176.8	0	113	S6 S7	K3-S6 PolarHBondContact O-N 3.07Å; K3-S7 PolarHBondContact O-N 2.88Å; K3-S7 PolarHBondContact O-OG 2.84Å
4	E	45.4	Very low	56.2	Low	152 Å²	152	105.7 Å²	105.7	71%	0.71	54%	0.538	S	S	*	.	H	α-helix	trans	-73.8	-38.8	-170.5	-147.6	167	-160	0	0	112.8	S6 S7 I8	E4-S6 VanDerWaalsContact C-N 3.34Å; E4-S7 PolarHBondContact O-N 3.02Å; E4-S7 PolarHBondContact O-OG 3.46Å; E4-I8 VanDerWaalsContact O-CG1 3.31Å; E4-I8 WeakPolarHBondContact O-CG1 3.28Å; E4-I8 PolarHBondContact O-N 2.86Å; E4-I8 VanDerWaalsContact O-N 3.14Å
5	Q	45.1	Very low	57.6	Low	152 Å²	152	108.7 Å²	108.7	71%	0.71	55%	0.545	S	S	*	.	H	α-helix	trans	-65.4	-39.3	172.2	-73.8	-178.8	-17.9	0	0	111.5	S7 L9	Q5-S7 PolarHBondContact O-N 3.42Å; Q5-L9 WeakPolarHBondContact O-CB 3.4Å; Q5-L9 PolarHBondContact O-N 3.25Å
6	S	52.2	Low	58.9	Low	61 Å²	61	103.7 Å²	103.7	43%	0.427	52%	0.524	S	S	.	.	H	α-helix	trans	-65.8	-36.5	178.1	-170.1	0	0	0	0	112.5	C2 K3 E4 M10	C2-S6 PolarHBondContact O-N 3.11Å; K3-S6 PolarHBondContact O-N 3.07Å; E4-S6 VanDerWaalsContact C-N 3.34Å; S6-M10 WeakPolarHBondContact O-CB 3.37Å; S6-M10 WeakPolarHBondContact O-CG 3.43Å; S6-M10 PolarHBondContact O-N 3.38Å; S6-M10 VanDerWaalsContact O-N 3.09Å
7	S	55	Low	60.2	Low	51 Å²	51	97.6 Å²	97.6	36%	0.357	49%	0.493	S	S	.	.	H	α-helix	trans	-70.4	-45.5	177.3	56.5	0	0	0	0	111.9	K3 E4 Q5 L9 M10 D11	K3-S7 PolarHBondContact O-N 2.88Å; K3-S7 PolarHBondContact O-OG 2.84Å; E4-S7 PolarHBondContact O-N 3.02Å; E4-S7 PolarHBondContact O-OG 3.46Å; Q5-S7 PolarHBondContact O-N 3.42Å; S7-L9 VanDerWaalsContact C-N 3.27Å; S7-L9 PolarHBondContact O-N 3.25Å; S7-M10 PolarHBondContact O-N 2.72Å; S7-D11 PolarHBondContact O-N 3.09Å
8	I	56.2	Low	61.4	Low	111 Å²	111	96.7 Å²	96.7	57%	0.569	49%	0.486	S	S	*	.	H	α-helix	trans	-60.1	-41.1	178	-66.5	166.4	0	0	0	110.8	E4 D11 F12	E4-I8 VanDerWaalsContact O-CG1 3.31Å; E4-I8 WeakPolarHBondContact O-CG1 3.28Å; E4-I8 PolarHBondContact O-N 2.86Å; E4-I8 VanDerWaalsContact O-N 3.14Å; I8-D11 PolarHBondContact O-N 2.76Å; I8-F12 PolarHBondContact O-N 3.42Å
9	L	56.1	Low	62.4	Low	69 Å²	69	98.7 Å²	98.7	36%	0.361	49%	0.493	S	S	.	.	H	α-helix	trans	-65.3	-44.7	178.1	-159.8	69.2	0	0	0	111.9	Q5 S7 D11 F12 C13 N131	Q5-L9 WeakPolarHBondContact O-CB 3.4Å; Q5-L9 PolarHBondContact O-N 3.25Å; S7-L9 VanDerWaalsContact C-N 3.27Å; S7-L9 PolarHBondContact O-N 3.25Å; L9-D11 VanDerWaalsContact C-N 3.32Å; L9-D11 PolarHBondContact O-N 3Å; L9-F12 PolarHBondContact O-N 3.16Å; L9-C13 PolarHBondContact O-N 2.83Å; L9-C13 PolarHBondContact O-SG 2.78Å; L9-N131 WeakPolarHBondContact CD1-O 3.33Å; L9-N131 HydrophobicContact CD2-CB 3.86Å; L9-N131 WeakPolarHBondContact CG-O 3.34Å
10	M	61.5	Low	63.4	Low	77 Å²	77	97.1 Å²	97.1	38%	0.379	48%	0.482	S	S	.	.	H	α-helix	trans	-60.9	-41.7	175	-79.6	-163.7	-84.7	0	0	111.5	S6 S7 F12 C13 Q14	S6-M10 WeakPolarHBondContact O-CB 3.37Å; S6-M10 WeakPolarHBondContact O-CG 3.43Å; S6-M10 PolarHBondContact O-N 3.38Å; S6-M10 VanDerWaalsContact O-N 3.09Å; S7-M10 PolarHBondContact O-N 2.72Å; M10-F12 VanDerWaalsContact C-N 3.33Å; M10-F12 PolarHBondContact O-N 3.49Å; M10-C13 PolarHBondContact O-N 2.78Å; M10-Q14 VanDerWaalsContact O-CB 3.23Å; M10-Q14 WeakPolarHBondContact O-CB 3.42Å; M10-Q14 PolarHBondContact O-N 2.86Å
11	D	68.1	Low	64.4	Low	86 Å²	86	92.7 Å²	92.7	46%	0.46	46%	0.461	S	S	.	.	H	α-helix	trans	-62.2	-40.4	176.1	-73.6	-13	0	0	0	111.8	S7 I8 L9 K15	S7-D11 PolarHBondContact O-N 3.09Å; I8-D11 PolarHBondContact O-N 2.76Å; L9-D11 VanDerWaalsContact C-N 3.32Å; L9-D11 PolarHBondContact O-N 3Å; D11-K15 WeakPolarHBondContact O-CB 3.48Å; D11-K15 VanDerWaalsContact O-CG 3.27Å; D11-K15 WeakPolarHBondContact O-CG 3.34Å; D11-K15 PolarHBondContact O-N 2.9Å
12	F	68.8	Low	66.5	Low	123 Å²	123	85.9 Å²	85.9	54%	0.539	43%	0.425	S	S	.	.	H	α-helix	trans	-67.2	-46.4	176.7	-173.5	-94.9	0	0	0	111.9	I8 L9 M10 Q14 K15 S16 D132	I8-F12 PolarHBondContact O-N 3.42Å; L9-F12 PolarHBondContact O-N 3.16Å; M10-F12 VanDerWaalsContact C-N 3.33Å; M10-F12 PolarHBondContact O-N 3.49Å; F12-Q14 VanDerWaalsContact C-N 3.35Å; F12-Q14 PolarHBondContact O-N 3.36Å; F12-K15 PolarHBondContact O-N 2.73Å; F12-S16 PolarHBondContact O-N 3.41Å; F12-D132 WeakPolarHBondContact CE1-O 3.48Å
13	C	69.7	Low	68.1	Low	4 Å²	4	85 Å²	85	3%	0.027	42%	0.42	C	S	.	.	H	α-helix	trans	-59.1	-47.1	176.3	-65	0	0	0	0	110.9	L9 M10 K15 S16 I17 E130	L9-C13 PolarHBondContact O-N 2.83Å; L9-C13 PolarHBondContact O-SG 2.78Å; M10-C13 PolarHBondContact O-N 2.78Å; C13-K15 PolarHBondContact O-N 3.43Å; C13-S16 PolarHBondContact O-N 2.67Å; C13-I17 WeakPolarHBondContact O-CD1 3.14Å; C13-I17 VanDerWaalsContact O-CG1 3.26Å; C13-I17 WeakPolarHBondContact O-CG1 3.48Å; C13-I17 PolarHBondContact O-N 3.47Å; C13-E130 PolarHBondContact SG-O 3.22Å
14	Q	75	Confident	69.9	Low	62 Å²	62	77.4 Å²	77.4	29%	0.29	39%	0.391	S	S	.	.	H	α-helix	trans	-58	-46.8	177.2	178.5	-179.4	-13	0	0	111.2	M10 F12 I17 F18 W31	M10-Q14 VanDerWaalsContact O-CB 3.23Å; M10-Q14 WeakPolarHBondContact O-CB 3.42Å; M10-Q14 PolarHBondContact O-N 2.86Å; F12-Q14 VanDerWaalsContact C-N 3.35Å; F12-Q14 PolarHBondContact O-N 3.36Å; Q14-I17 PolarHBondContact O-N 3.04Å; Q14-F18 VanDerWaalsContact O-CB 3.24Å; Q14-F18 WeakPolarHBondContact O-CB 3.19Å; Q14-F18 PolarHBondContact O-N 3.42Å; Q14-W31 HydrophobicContact CB-CD2 4.23Å; Q14-W31 HydrophobicContact CB-CE3 4.32Å; Q14-W31 VanDerWaalsContact CD-CG 3.48Å; Q14-W31 HydrophobicContact CG-CB 4.08Å; Q14-W31 HydrophobicContact CG-CD2 3.72Å; Q14-W31 HydrophobicContact CG-CE3 3.95Å; Q14-W31 HydrophobicContact CG-CG 3.74Å
15	K	78.3	Confident	71.8	Confident	150 Å²	150	72.3 Å²	72.3	65%	0.652	38%	0.38	S	S	*	.	H	α-helix	trans	-60.7	-45.6	177.4	-77.3	174.3	-177.2	176.5	0	112.2	D11 F12 C13 F18 H19	D11-K15 WeakPolarHBondContact O-CB 3.48Å; D11-K15 VanDerWaalsContact O-CG 3.27Å; D11-K15 WeakPolarHBondContact O-CG 3.34Å; D11-K15 PolarHBondContact O-N 2.9Å; F12-K15 PolarHBondContact O-N 2.73Å; C13-K15 PolarHBondContact O-N 3.43Å; K15-F18 PolarHBondContact O-N 2.73Å; K15-H19 WeakPolarHBondContact O-CB 3.18Å; K15-H19 PolarHBondContact O-N 2.93Å
16	S	78.3	Confident	73.9	Confident	29 Å²	29	65.2 Å²	65.2	20%	0.203	35%	0.346	C	S	.	.	H	α-helix	trans	-59.7	-47.9	177.7	175	0	0	0	0	111.6	F12 C13 H19 K20 G133	F12-S16 PolarHBondContact O-N 3.41Å; C13-S16 PolarHBondContact O-N 2.67Å; S16-H19 PolarHBondContact O-N 2.79Å; S16-K20 WeakPolarHBondContact O-CG 3.4Å; S16-K20 PolarHBondContact O-N 3.23Å; S16-G133 WeakPolarHBondContact CB-O 2.95Å; S16-G133 PolarHBondContact OG-O 3.43Å
17	I	79.7	Confident	75.5	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-65.6	-44.8	179.5	-62.9	161.8	0	0	0	110.9	C13 Q14 H19 K20 L21 W31 I47 M68 F135	C13-I17 WeakPolarHBondContact O-CD1 3.14Å; C13-I17 VanDerWaalsContact O-CG1 3.26Å; C13-I17 WeakPolarHBondContact O-CG1 3.48Å; C13-I17 PolarHBondContact O-N 3.47Å; Q14-I17 PolarHBondContact O-N 3.04Å; I17-H19 VanDerWaalsContact C-N 3.32Å; I17-H19 PolarHBondContact O-N 2.87Å; I17-K20 PolarHBondContact O-N 2.99Å; I17-L21 HydrophobicContact CG2-CD1 3.95Å; I17-L21 HydrophobicContact CG2-CG 4.3Å; I17-L21 WeakPolarHBondContact O-CG 3.46Å; I17-L21 PolarHBondContact O-N 2.98Å; I17-W31 HydrophobicContact CD1-CH2 4.22Å; I17-W31 HydrophobicContact CD1-CZ3 3.8Å; I17-I47 HydrophobicContact CB-CD1 4.37Å; I17-I47 HydrophobicContact CG2-CD1 3.31Å; I17-M68 HydrophobicContact CD1-CE 3.53Å; I17-F135 HydrophobicContact CD1-CB 4.05Å; I17-F135 HydrophobicContact CD1-CG 4.29Å; I17-F135 HydrophobicContact CG1-CB 3.65Å; I17-F135 HydrophobicContact CG1-CD1 4.05Å; I17-F135 HydrophobicContact CG1-CD2 4.44Å; I17-F135 HydrophobicContact CG1-CG 3.81Å; I17-F135 HydrophobicContact CG2-CD1 4.21Å; I17-F135 HydrophobicContact CG2-CE1 4.17Å; I17-F135 HydrophobicContact CG2-CG 4.48Å; I17-F135 HydrophobicContact CG2-CZ 4.39Å
18	F	82.1	Confident	77.2	Confident	81 Å²	81	64.7 Å²	64.7	36%	0.355	33%	0.333	S	S	.	.	H	α-helix	trans	-57.5	-46.9	177.2	-170.2	-83.6	0	0	0	111.1	Q14 K15 K20 L21 K22 I29	Q14-F18 VanDerWaalsContact O-CB 3.24Å; Q14-F18 WeakPolarHBondContact O-CB 3.19Å; Q14-F18 PolarHBondContact O-N 3.42Å; K15-F18 PolarHBondContact O-N 2.73Å; F18-K20 PolarHBondContact O-N 3.12Å; F18-L21 PolarHBondContact O-N 2.93Å; F18-K22 HydrophobicContact CD1-CG 3.82Å; F18-K22 HydrophobicContact CE1-CD 4.11Å; F18-K22 VanDerWaalsContact CE1-CE 3.46Å; F18-K22 HydrophobicContact CE1-CG 3.57Å; F18-K22 HydrophobicContact CZ-CD 4.48Å; F18-K22 VanDerWaalsContact CZ-CE 3.48Å; F18-K22 HydrophobicContact CZ-CG 4.34Å; F18-K22 WeakPolarHBondContact O-CB 3.4Å; F18-K22 WeakPolarHBondContact O-CG 3.35Å; F18-K22 PolarHBondContact O-N 2.92Å; F18-I29 HydrophobicContact CD2-CB 3.83Å; F18-I29 HydrophobicContact CD2-CD1 4.29Å; F18-I29 HydrophobicContact CD2-CG2 3.46Å; F18-I29 VanDerWaalsContact CD2-CG2 3.46Å; F18-I29 HydrophobicContact CE2-CB 3.54Å; F18-I29 HydrophobicContact CE2-CD1 4.29Å; F18-I29 HydrophobicContact CE2-CG2 3.71Å; F18-I29 WeakPolarHBondContact CE2-O 3.27Å; F18-I29 HydrophobicContact CG-CD1 4.44Å; F18-I29 HydrophobicContact CG-CG2 4.38Å; F18-I29 HydrophobicContact CZ-CB 4.24Å; F18-I29 HydrophobicContact CZ-CD1 4.43Å
19	H	81.4	Confident	78.8	Confident	134 Å²	134	60.3 Å²	60.3	62%	0.62	31%	0.311	S	S	*	.	H	α-helix	trans	-60.5	-46.1	177.2	-177.7	-85.3	0	0	0	111.9	K15 S16 I17 L21 K22 S23	K15-H19 WeakPolarHBondContact O-CB 3.18Å; K15-H19 PolarHBondContact O-N 2.93Å; S16-H19 PolarHBondContact O-N 2.79Å; I17-H19 VanDerWaalsContact C-N 3.32Å; I17-H19 PolarHBondContact O-N 2.87Å; H19-L21 PolarHBondContact O-N 3.37Å; H19-K22 PolarHBondContact O-N 2.95Å; H19-S23 PolarHBondContact O-N 3.13Å; H19-S23 PolarHBondContact O-OG 2.78Å
20	K	82.3	Confident	80.5	Confident	66 Å²	66	61.1 Å²	61.1	29%	0.287	31%	0.311	S	S	.	.	H	α-helix	trans	-62	-40	177.7	-75.3	177.6	177.7	176.8	0	112.7	S16 I17 F18 S23 S24 F135	S16-K20 WeakPolarHBondContact O-CG 3.4Å; S16-K20 PolarHBondContact O-N 3.23Å; I17-K20 PolarHBondContact O-N 2.99Å; F18-K20 PolarHBondContact O-N 3.12Å; K20-S23 WeakPolarHBondContact CA-OG 3.32Å; K20-S23 PolarHBondContact O-OG 3.23Å; K20-S24 WeakPolarHBondContact O-CB 3.33Å; K20-S24 PolarHBondContact O-N 3.42Å; K20-S24 VanDerWaalsContact O-N 3.09Å; K20-S24 PolarHBondContact O-OG 3.01Å; K20-F135 HydrophobicContact CD-CD1 4.42Å
21	L	83.8	Confident	81.7	Confident	5 Å²	5	59.3 Å²	59.3	3%	0.026	30%	0.3	C	S	.	.	H	α-helix	trans	-68.1	-44	176.6	-73.4	174.5	0	0	0	111.1	I17 F18 H19 S23 S24 G25 W26 I29 I47 L144	I17-L21 HydrophobicContact CG2-CD1 3.95Å; I17-L21 HydrophobicContact CG2-CG 4.3Å; I17-L21 WeakPolarHBondContact O-CG 3.46Å; I17-L21 PolarHBondContact O-N 2.98Å; F18-L21 PolarHBondContact O-N 2.93Å; H19-L21 PolarHBondContact O-N 3.37Å; L21-S23 PolarHBondContact O-N 3.14Å; L21-S24 CarbonylContact O-C 3.55Å; L21-S24 PolarHBondContact O-N 3.35Å; L21-S24 VanDerWaalsContact O-N 3.12Å; L21-G25 PolarHBondContact O-N 3.27Å; L21-W26 HydrophobicContact CB-CB 4.39Å; L21-W26 WeakPolarHBondContact O-CB 3.32Å; L21-W26 PolarHBondContact O-N 3.18Å; L21-W26 VanDerWaalsContact O-N 3.11Å; L21-I29 HydrophobicContact CB-CD1 3.48Å; L21-I29 VanDerWaalsContact CB-CD1 3.48Å; L21-I29 HydrophobicContact CB-CG1 4.17Å; L21-I29 HydrophobicContact CD1-CG2 4.1Å; L21-I47 HydrophobicContact CD1-CD1 4.15Å; L21-I47 HydrophobicContact CD1-CG2 3.84Å; L21-L144 HydrophobicContact CD2-CD2 3.93Å
22	K	84.7	Confident	82.7	Confident	92 Å²	92	56.6 Å²	56.6	40%	0.4	28%	0.284	S	S	.	.	H	α-helix	trans	-56.9	-48.3	173.5	-77.1	-58.8	-170.8	174.1	0	111.5	F18 H19 S24 G25 W26 D27 I29	F18-K22 HydrophobicContact CD1-CG 3.82Å; F18-K22 HydrophobicContact CE1-CD 4.11Å; F18-K22 VanDerWaalsContact CE1-CE 3.46Å; F18-K22 HydrophobicContact CE1-CG 3.57Å; F18-K22 HydrophobicContact CZ-CD 4.48Å; F18-K22 VanDerWaalsContact CZ-CE 3.48Å; F18-K22 HydrophobicContact CZ-CG 4.34Å; F18-K22 WeakPolarHBondContact O-CB 3.4Å; F18-K22 WeakPolarHBondContact O-CG 3.35Å; F18-K22 PolarHBondContact O-N 2.92Å; H19-K22 PolarHBondContact O-N 2.95Å; K22-S24 PolarHBondContact O-N 3.41Å; K22-G25 PolarHBondContact O-N 3.17Å; K22-W26 VanDerWaalsContact CD-O 3.27Å; K22-W26 WeakPolarHBondContact CD-O 3.27Å; K22-D27 PolarHBondContact NZ-O 2.83Å; K22-I29 HydrophobicContact CB-CD1 4.36Å; K22-I29 HydrophobicContact CD-CD1 3.61Å; K22-I29 HydrophobicContact CG-CD1 3.62Å
23	S	82.9	Confident	83.3	Confident	86 Å²	86	53.8 Å²	53.8	60%	0.601	28%	0.283	S	S	*	.	H	α-helix	trans	-65.7	-23.3	179.3	66.7	0	0	0	0	113.2	H19 K20 L21 G25	H19-S23 PolarHBondContact O-N 3.13Å; H19-S23 PolarHBondContact O-OG 2.78Å; K20-S23 WeakPolarHBondContact CA-OG 3.32Å; K20-S23 PolarHBondContact O-OG 3.23Å; L21-S23 PolarHBondContact O-N 3.14Å; S23-G25 PolarHBondContact O-N 3.2Å
24	S	81.6	Confident	83.9	Confident	33 Å²	33	58 Å²	58	23%	0.231	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	9.1	175.5	-52	0	0	0	0	113.3	K20 L21 K22	K20-S24 WeakPolarHBondContact O-CB 3.33Å; K20-S24 PolarHBondContact O-N 3.42Å; K20-S24 VanDerWaalsContact O-N 3.09Å; K20-S24 PolarHBondContact O-OG 3.01Å; L21-S24 CarbonylContact O-C 3.55Å; L21-S24 PolarHBondContact O-N 3.35Å; L21-S24 VanDerWaalsContact O-N 3.12Å; K22-S24 PolarHBondContact O-N 3.41Å
25	G	85	Confident	84.2	Confident	46 Å²	46	55.1 Å²	55.1	47%	0.474	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	21.7	175.6	0	0	0	0	0	115	L21 K22 S23 K51	L21-G25 PolarHBondContact O-N 3.27Å; K22-G25 PolarHBondContact O-N 3.17Å; S23-G25 PolarHBondContact O-N 3.2Å; G25-K51 WeakPolarHBondContact O-CB 3.17Å; G25-K51 VanDerWaalsContact O-CD 3.27Å; G25-K51 WeakPolarHBondContact O-CD 3.45Å
26	W	89	Confident	84.5	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.008	28%	0.275	C	S	.	.			trans	-86.4	118.5	168.1	-63.6	82.8	0	0	0	109.7	L21 K22 I29 A49 A50 K51 K62 A64 L144	L21-W26 HydrophobicContact CB-CB 4.39Å; L21-W26 WeakPolarHBondContact O-CB 3.32Å; L21-W26 PolarHBondContact O-N 3.18Å; L21-W26 VanDerWaalsContact O-N 3.11Å; K22-W26 VanDerWaalsContact CD-O 3.27Å; K22-W26 WeakPolarHBondContact CD-O 3.27Å; W26-I29 HydrophobicContact CB-CD1 4.23Å; W26-I29 HydrophobicContact CB-CG1 4.03Å; W26-A49 HydrophobicContact CD2-CB 3.98Å; W26-A49 HydrophobicContact CE3-CB 3.5Å; W26-A49 HydrophobicContact CG-CB 4.41Å; W26-A49 HydrophobicContact CZ3-CB 4Å; W26-A49 WeakPolarHBondContact CZ3-O 3.4Å; W26-A50 VanDerWaalsContact CE3-C 3.42Å; W26-K51 HydrophobicContact CD2-CB 4.33Å; W26-K51 HydrophobicContact CD2-CD 4.04Å; W26-K51 HydrophobicContact CD2-CG 4.15Å; W26-K51 HydrophobicContact CE3-CB 3.98Å; W26-K51 HydrophobicContact CE3-CD 4.32Å; W26-K51 HydrophobicContact CE3-CG 3.91Å; W26-K51 HydrophobicContact CG-CD 4.43Å; W26-K51 HydrophobicContact CH2-CG 4.35Å; W26-K51 HydrophobicContact CZ2-CD 4.34Å; W26-K51 HydrophobicContact CZ3-CB 4.47Å; W26-K51 HydrophobicContact CZ3-CG 4.04Å; W26-K62 HydrophobicContact CH2-CB 4.2Å; W26-K62 HydrophobicContact CH2-CD 3.87Å; W26-K62 HydrophobicContact CH2-CG 3.82Å; W26-K62 HydrophobicContact CZ2-CD 4.24Å; W26-K62 HydrophobicContact CZ3-CB 4.45Å; W26-K62 HydrophobicContact CZ3-CG 4.46Å; W26-K62 WeakPolarHBondContact CZ3-O 3.27Å; W26-A64 HydrophobicContact CH2-CB 3.66Å; W26-A64 HydrophobicContact CZ2-CB 4.43Å; W26-A64 HydrophobicContact CZ3-CB 4.01Å; W26-L144 HydrophobicContact CD2-CD2 4.23Å; W26-L144 HydrophobicContact CH2-CD2 4.1Å; W26-L144 HydrophobicContact CZ2-CD2 3.14Å; W26-L144 HydrophobicContact CZ2-CG 3.96Å
27	D	86	Confident	84.4	Confident	74 Å²	74	58 Å²	58	40%	0.396	31%	0.307	S	S	.	.			trans	-92.9	-34	-176.5	50.9	-47.9	0	0	0	112.1	K22 A50 K51 Y106	K22-D27 PolarHBondContact NZ-O 2.83Å; D27-A50 PolarHBondContact N-O 3.44Å; D27-K51 WeakPolarHBondContact OD1-CA 3.44Å; D27-K51 VanDerWaalsContact OD1-CB 3.22Å; D27-K51 WeakPolarHBondContact OD1-CB 3.41Å; D27-Y106 PolarHBondContact OD1-OH 3.1Å; D27-Y106 VanDerWaalsContact OD1-OH 3.07Å; D27-Y106 WeakPolarHBondContact OD2-CE1 3.41Å; D27-Y106 PolarHBondContact OD2-OH 3.03Å
28	Y	90.9	Very high	84.3	Confident	27 Å²	27	59.5 Å²	59.5	11%	0.106	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	125.8	168.3	-179.2	-92.6	0	0	0	110.7	K30 L48 A49 A50 V102 E105 Y106	Y28-K30 HydrophobicContact CE1-CB 4.07Å; Y28-K30 WeakPolarHBondContact OH-CD 3.16Å; Y28-L48 HydrophobicContact CE1-CD2 4.02Å; Y28-L48 HydrophobicContact CE1-CG 3.98Å; Y28-A49 CarbonylContact O-C 3.55Å; Y28-A49 WeakPolarHBondContact O-CA 3.5Å; Y28-A50 HydrophobicContact CD1-CB 4.14Å; Y28-A50 HydrophobicContact CG-CB 4.46Å; Y28-A50 PolarHBondContact N-O 3.21Å; Y28-A50 PolarHBondContact O-N 3.47Å; Y28-V102 HydrophobicContact CD1-CG2 4.14Å; Y28-V102 HydrophobicContact CE1-CG2 3.93Å; Y28-E105 HydrophobicContact CD2-CB 3.88Å; Y28-E105 HydrophobicContact CD2-CG 3.73Å; Y28-E105 HydrophobicContact CE2-CB 4.2Å; Y28-E105 HydrophobicContact CE2-CG 4.44Å; Y28-E105 HydrophobicContact CG-CG 4.46Å; Y28-Y106 WeakPolarHBondContact CB-OH 3.48Å; Y28-Y106 HydrophobicContact CG-CE2 4.46Å
29	I	90.6	Very high	84.5	Confident	20 Å²	20	55.7 Å²	55.7	10%	0.103	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	125.6	175.5	-54.9	162	0	0	0	108.2	F18 L21 K22 W26 I47 L48 A49	F18-I29 HydrophobicContact CD2-CB 3.83Å; F18-I29 HydrophobicContact CD2-CD1 4.29Å; F18-I29 HydrophobicContact CD2-CG2 3.46Å; F18-I29 VanDerWaalsContact CD2-CG2 3.46Å; F18-I29 HydrophobicContact CE2-CB 3.54Å; F18-I29 HydrophobicContact CE2-CD1 4.29Å; F18-I29 HydrophobicContact CE2-CG2 3.71Å; F18-I29 WeakPolarHBondContact CE2-O 3.27Å; F18-I29 HydrophobicContact CG-CD1 4.44Å; F18-I29 HydrophobicContact CG-CG2 4.38Å; F18-I29 HydrophobicContact CZ-CB 4.24Å; F18-I29 HydrophobicContact CZ-CD1 4.43Å; L21-I29 HydrophobicContact CB-CD1 3.48Å; L21-I29 VanDerWaalsContact CB-CD1 3.48Å; L21-I29 HydrophobicContact CB-CG1 4.17Å; L21-I29 HydrophobicContact CD1-CG2 4.1Å; K22-I29 HydrophobicContact CB-CD1 4.36Å; K22-I29 HydrophobicContact CD-CD1 3.61Å; K22-I29 HydrophobicContact CG-CD1 3.62Å; W26-I29 HydrophobicContact CB-CD1 4.23Å; W26-I29 HydrophobicContact CB-CG1 4.03Å; I29-I47 HydrophobicContact CG2-CG2 3.74Å; I29-L48 CarbonylContact C-O 3.48Å; I29-L48 WeakPolarHBondContact CA-O 3.49Å; I29-A49 HydrophobicContact CG1-CB 4.5Å
30	K	90.6	Very high	84.6	Confident	85 Å²	85	53.8 Å²	53.8	37%	0.37	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	129.6	175.3	-168.7	165.9	165.1	-149	0	109.9	Y28 Y32 I47 L48 E101	Y28-K30 HydrophobicContact CE1-CB 4.07Å; Y28-K30 WeakPolarHBondContact OH-CD 3.16Å; K30-Y32 HydrophobicContact CB-CE2 4.03Å; K30-Y32 HydrophobicContact CD-CE1 4.42Å; K30-Y32 HydrophobicContact CD-CE2 4.24Å; K30-Y32 WeakPolarHBondContact CD-OH 3.49Å; K30-Y32 WeakPolarHBondContact CE-OH 3.22Å; K30-Y32 HydrophobicContact CG-CE1 4.45Å; K30-Y32 HydrophobicContact CG-CE2 3.78Å; K30-Y32 PolarHBondContact NZ-OH 2.8Å; K30-I47 WeakPolarHBondContact O-CA 2.97Å; K30-L48 PolarHBondContact N-O 3.04Å; K30-L48 PolarHBondContact O-N 3.25Å; K30-E101 IonicContact NZ-OE1 2.78Å; K30-E101 PolarHBondContact NZ-OE1 2.85Å
31	W	87.8	Confident	84.4	Confident	40 Å²	40	54.2 Å²	54.2	15%	0.152	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	136	-179.2	176.7	-81.6	0	0	0	110.3	Q14 I17 P45 I47 M68	Q14-W31 HydrophobicContact CB-CD2 4.23Å; Q14-W31 HydrophobicContact CB-CE3 4.32Å; Q14-W31 VanDerWaalsContact CD-CG 3.48Å; Q14-W31 HydrophobicContact CG-CB 4.08Å; Q14-W31 HydrophobicContact CG-CD2 3.72Å; Q14-W31 HydrophobicContact CG-CE3 3.95Å; Q14-W31 HydrophobicContact CG-CG 3.74Å; I17-W31 HydrophobicContact CD1-CH2 4.22Å; I17-W31 HydrophobicContact CD1-CZ3 3.8Å; W31-P45 HydrophobicContact CH2-CB 4.11Å; W31-P45 HydrophobicContact CZ2-CB 3.5Å; W31-P45 HydrophobicContact CZ2-CG 4.28Å; W31-I47 HydrophobicContact CD2-CG1 4.44Å; W31-I47 HydrophobicContact CE3-CD1 3.66Å; W31-I47 HydrophobicContact CE3-CG1 3.48Å; W31-I47 VanDerWaalsContact CE3-CG1 3.48Å; W31-I47 HydrophobicContact CZ3-CD1 3.55Å; W31-I47 HydrophobicContact CZ3-CG1 3.67Å; W31-M68 HydrophobicContact CH2-CB 4.44Å; W31-M68 HydrophobicContact CH2-CG 3.96Å; W31-M68 HydrophobicContact CZ3-CG 4.03Å
32	Y	88.2	Confident	84.3	Confident	29 Å²	29	54.4 Å²	54.4	11%	0.114	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	108.2	175	-59.6	-93.6	0	0	0	107.8	K30 D34 L38 P45 L46 L48 E101	K30-Y32 HydrophobicContact CB-CE2 4.03Å; K30-Y32 HydrophobicContact CD-CE1 4.42Å; K30-Y32 HydrophobicContact CD-CE2 4.24Å; K30-Y32 WeakPolarHBondContact CD-OH 3.49Å; K30-Y32 WeakPolarHBondContact CE-OH 3.22Å; K30-Y32 HydrophobicContact CG-CE1 4.45Å; K30-Y32 HydrophobicContact CG-CE2 3.78Å; K30-Y32 PolarHBondContact NZ-OH 2.8Å; Y32-D34 PolarHBondContact O-N 2.83Å; Y32-L38 HydrophobicContact CD1-CD1 3.54Å; Y32-L38 HydrophobicContact CD1-CG 4.41Å; Y32-L38 HydrophobicContact CD2-CD1 4Å; Y32-L38 HydrophobicContact CE1-CD1 3.33Å; Y32-L38 HydrophobicContact CE1-CG 4.24Å; Y32-L38 HydrophobicContact CE2-CD1 3.78Å; Y32-L38 HydrophobicContact CG-CD1 3.86Å; Y32-L38 VanDerWaalsContact CZ-CD1 3.43Å; Y32-P45 CarbonylContact O-C 3.54Å; Y32-P45 WeakPolarHBondContact O-CA 3.35Å; Y32-L46 HydrophobicContact CD2-CD1 3.3Å; Y32-L46 HydrophobicContact CD2-CG 4.35Å; Y32-L46 HydrophobicContact CE2-CD1 4.03Å; Y32-L46 HydrophobicContact CG-CD1 3.82Å; Y32-L46 PolarHBondContact N-O 3.46Å; Y32-L46 PolarHBondContact O-N 3.43Å; Y32-L48 HydrophobicContact CE2-CB 3.94Å; Y32-E101 VanDerWaalsContact CZ-OE2 3.27Å; Y32-E101 PolarHBondContact OH-OE1 3.29Å; Y32-E101 PolarHBondContact OH-OE2 2.98Å
33	A	82	Confident	84.2	Confident	63 Å²	63	54.8 Å²	54.8	52%	0.521	33%	0.334	S	S	.	.	S	Bend	trans	-67.5	-29.6	177.3	0	0	0	0	0	112
34	D	81.1	Confident	84.1	Confident	93 Å²	93	52.6 Å²	52.6	50%	0.497	32%	0.315	S	S	.	.			trans	-131.1	118.7	171.7	-178.6	-5.9	0	0	0	108.1	Y32 A36	Y32-D34 PolarHBondContact O-N 2.83Å; D34-A36 VanDerWaalsContact OD1-CB 3.25Å; D34-A36 WeakPolarHBondContact OD1-CB 3.06Å; D34-A36 PolarHBondContact OD1-N 2.87Å
35	S	82.3	Confident	84.3	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.007	31%	0.309	C	S	.	.			trans	-89.3	-3.5	-175.5	51.6	0	0	0	0	114.4	K37 L38 V39 C42 N44	S35-K37 PolarHBondContact O-N 3.32Å; S35-L38 PolarHBondContact O-N 2.99Å; S35-V39 PolarHBondContact O-N 3.45Å; S35-C42 CarbonylContact C-O 3.55Å; S35-C42 VanDerWaalsContact OG-C 3.25Å; S35-C42 WeakPolarHBondContact OG-CB 3.38Å; S35-C42 PolarHBondContact OG-O 2.62Å; S35-C42 PolarHBondContact OG-SG 2.71Å; S35-N44 VanDerWaalsContact CB-O 3.32Å; S35-N44 WeakPolarHBondContact CB-O 3.3Å; S35-N44 PolarHBondContact OG-O 3.11Å
36	A	83.8	Confident	84.5	Confident	37 Å²	37	49.5 Å²	49.5	31%	0.306	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.7	-171.4	0	0	0	0	0	113.5	D34 V39 C42	D34-A36 VanDerWaalsContact OD1-CB 3.25Å; D34-A36 WeakPolarHBondContact OD1-CB 3.06Å; D34-A36 PolarHBondContact OD1-N 2.87Å; A36-V39 WeakPolarHBondContact CA-O 3.46Å; A36-C42 WeakPolarHBondContact CA-O 3.24Å; A36-C42 WeakPolarHBondContact CB-O 3.44Å; A36-C42 PolarHBondContact N-O 3.07Å
37	K	75.8	Confident	84.5	Confident	202 Å²	202	49.5 Å²	49.5	88%	0.878	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-26.6	176.1	-67.7	-174.6	178.7	-180	0	113.9	S35	S35-K37 PolarHBondContact O-N 3.32Å
38	L	79.5	Confident	84.8	Confident	34 Å²	34	46 Å²	46	18%	0.178	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-34.1	179.6	-69.6	175.5	0	0	0	112.1	Y32 S35 L46 N94 F98 E101	Y32-L38 HydrophobicContact CD1-CD1 3.54Å; Y32-L38 HydrophobicContact CD1-CG 4.41Å; Y32-L38 HydrophobicContact CD2-CD1 4Å; Y32-L38 HydrophobicContact CE1-CD1 3.33Å; Y32-L38 HydrophobicContact CE1-CG 4.24Å; Y32-L38 HydrophobicContact CE2-CD1 3.78Å; Y32-L38 HydrophobicContact CG-CD1 3.86Å; Y32-L38 VanDerWaalsContact CZ-CD1 3.43Å; S35-L38 PolarHBondContact O-N 2.99Å; L38-L46 HydrophobicContact CD1-CD1 4.32Å; L38-N94 PolarHBondContact O-OD1 3.33Å; L38-F98 HydrophobicContact CB-CE1 4.1Å; L38-F98 HydrophobicContact CB-CZ 4.35Å; L38-F98 HydrophobicContact CD1-CD1 4.28Å; L38-F98 HydrophobicContact CD1-CE1 3.82Å; L38-E101 WeakPolarHBondContact CD1-OE2 3.37Å; L38-E101 HydrophobicContact CD2-CG 4.36Å
39	V	85.3	Confident	84.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-131.9	96.4	-178.6	-175.1	0	0	0	0	107.1	S35 A36 G41 C42 L46 T90 V91 N94 F98	S35-V39 PolarHBondContact O-N 3.45Å; A36-V39 WeakPolarHBondContact CA-O 3.46Å; V39-G41 PolarHBondContact O-N 3.22Å; V39-C42 HydrophobicContact CB-CB 3.81Å; V39-C42 HydrophobicContact CG1-CB 3.7Å; V39-C42 WeakPolarHBondContact O-CB 3.09Å; V39-C42 PolarHBondContact O-N 3.05Å; V39-L46 HydrophobicContact CG2-CD2 4.41Å; V39-T90 HydrophobicContact CG1-CG2 3.66Å; V39-V91 HydrophobicContact CG1-CG2 4.28Å; V39-V91 HydrophobicContact CG2-CG2 4.29Å; V39-N94 HydrophobicContact CG2-CB 4Å; V39-F98 HydrophobicContact CG2-CE1 4.47Å; V39-F98 HydrophobicContact CG2-CE2 3.75Å; V39-F98 HydrophobicContact CG2-CZ 3.37Å
40	P	82.8	Confident	84.9	Confident	94 Å²	94	43.8 Å²	43.8	61%	0.61	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	125.4	179.7	-28.3	35.7	0	0	0	111.5
41	G	79.5	Confident	84.9	Confident	76 Å²	76	41.5 Å²	41.5	78%	0.784	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	88	-10.6	-179.6	0	0	0	0	0	115.8	V39	V39-G41 PolarHBondContact O-N 3.22Å
42	C	81	Confident	84.9	Confident	9 Å²	9	43.1 Å²	43.1	6%	0.061	26%	0.257	C	S	.	.			trans	-87.4	125.8	170	-164.5	0	0	0	0	109.5	S35 A36 V39	S35-C42 CarbonylContact C-O 3.55Å; S35-C42 VanDerWaalsContact OG-C 3.25Å; S35-C42 WeakPolarHBondContact OG-CB 3.38Å; S35-C42 PolarHBondContact OG-O 2.62Å; S35-C42 PolarHBondContact OG-SG 2.71Å; A36-C42 WeakPolarHBondContact CA-O 3.24Å; A36-C42 WeakPolarHBondContact CB-O 3.44Å; A36-C42 PolarHBondContact N-O 3.07Å; V39-C42 HydrophobicContact CB-CB 3.81Å; V39-C42 HydrophobicContact CG1-CB 3.7Å; V39-C42 WeakPolarHBondContact O-CB 3.09Å; V39-C42 PolarHBondContact O-N 3.05Å
43	T	82	Confident	84.8	Confident	100 Å²	100	45.8 Å²	45.8	61%	0.613	27%	0.267	S	S	*	.			trans	-114.4	-6.8	176.5	57	0	0	0	0	112.4
44	N	81.5	Confident	84.7	Confident	40 Å²	40	47.5 Å²	47.5	21%	0.214	28%	0.276	C	S	.	.	S	Bend	trans	-64.1	142.4	175.9	-74.8	81.4	0	0	0	110.1	S35 M68 M87	S35-N44 VanDerWaalsContact CB-O 3.32Å; S35-N44 WeakPolarHBondContact CB-O 3.3Å; S35-N44 PolarHBondContact OG-O 3.11Å; N44-M68 PolarHBondContact ND2-O 3.05Å; N44-M87 WeakPolarHBondContact OD1-CE 3.04Å
45	P	85.4	Confident	84.3	Confident	14 Å²	14	46.2 Å²	46.2	9%	0.091	27%	0.269	C	S	.	.			trans	-59.2	145.7	170.6	-18	29.3	0	0	0	110.1	W31 Y32 M68	W31-P45 HydrophobicContact CH2-CB 4.11Å; W31-P45 HydrophobicContact CZ2-CB 3.5Å; W31-P45 HydrophobicContact CZ2-CG 4.28Å; Y32-P45 CarbonylContact O-C 3.54Å; Y32-P45 WeakPolarHBondContact O-CA 3.35Å; P45-M68 HydrophobicContact CB-CB 4.14Å; P45-M68 VanDerWaalsContact O-CB 3.29Å; P45-M68 WeakPolarHBondContact O-CB 3.4Å; P45-M68 PolarHBondContact O-N 3.1Å
46	L	89	Confident	83.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	155.2	173.9	62.9	83	0	0	0	112	Y32 L38 V39 V65 V66 F98	Y32-L46 HydrophobicContact CD2-CD1 3.3Å; Y32-L46 HydrophobicContact CD2-CG 4.35Å; Y32-L46 HydrophobicContact CE2-CD1 4.03Å; Y32-L46 HydrophobicContact CG-CD1 3.82Å; Y32-L46 PolarHBondContact N-O 3.46Å; Y32-L46 PolarHBondContact O-N 3.43Å; L38-L46 HydrophobicContact CD1-CD1 4.32Å; V39-L46 HydrophobicContact CG2-CD2 4.41Å; L46-V65 HydrophobicContact CB-CG1 4.37Å; L46-V65 HydrophobicContact CD1-CG1 4.4Å; L46-V65 HydrophobicContact CD2-CG1 4.47Å; L46-V66 CarbonylContact C-O 3.6Å; L46-V66 VanDerWaalsContact CA-O 3.23Å; L46-V66 WeakPolarHBondContact CA-O 3.49Å; L46-F98 HydrophobicContact CD1-CE1 3.91Å; L46-F98 HydrophobicContact CD2-CE1 4.19Å; L46-F98 HydrophobicContact CD2-CZ 4.05Å
47	I	90	Very high	83.5	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.01	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.3	175.7	-45.2	-177.7	0	0	0	107.8	I17 L21 I29 K30 W31 V65 V66 M68	I17-I47 HydrophobicContact CB-CD1 4.37Å; I17-I47 HydrophobicContact CG2-CD1 3.31Å; L21-I47 HydrophobicContact CD1-CD1 4.15Å; L21-I47 HydrophobicContact CD1-CG2 3.84Å; I29-I47 HydrophobicContact CG2-CG2 3.74Å; K30-I47 WeakPolarHBondContact O-CA 2.97Å; W31-I47 HydrophobicContact CD2-CG1 4.44Å; W31-I47 HydrophobicContact CE3-CD1 3.66Å; W31-I47 HydrophobicContact CE3-CG1 3.48Å; W31-I47 VanDerWaalsContact CE3-CG1 3.48Å; W31-I47 HydrophobicContact CZ3-CD1 3.55Å; W31-I47 HydrophobicContact CZ3-CG1 3.67Å; I47-V65 CarbonylContact O-C 3.37Å; I47-V65 WeakPolarHBondContact O-CA 3.22Å; I47-V66 HydrophobicContact CB-CB 4.1Å; I47-V66 HydrophobicContact CB-CG2 4.47Å; I47-V66 HydrophobicContact CG1-CB 4.42Å; I47-V66 PolarHBondContact N-O 3.14Å; I47-V66 PolarHBondContact O-N 3.48Å; I47-M68 HydrophobicContact CD1-CG 4.19Å; I47-M68 HydrophobicContact CD1-SD 3.74Å; I47-M68 HydrophobicContact CG1-CG 3.96Å; I47-M68 HydrophobicContact CG1-SD 4.08Å
48	L	92	Very high	83.5	Confident	0 Å²	0	51 Å²	51	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	118.3	165.1	-177.4	59.9	0	0	0	107.7	Y28 I29 K30 Y32 V63 V65 F98 E101 V102	Y28-L48 HydrophobicContact CE1-CD2 4.02Å; Y28-L48 HydrophobicContact CE1-CG 3.98Å; I29-L48 CarbonylContact C-O 3.48Å; I29-L48 WeakPolarHBondContact CA-O 3.49Å; K30-L48 PolarHBondContact N-O 3.04Å; K30-L48 PolarHBondContact O-N 3.25Å; Y32-L48 HydrophobicContact CE2-CB 3.94Å; L48-V63 HydrophobicContact CD1-CG1 3.75Å; L48-V65 HydrophobicContact CD1-CG2 3.82Å; L48-F98 HydrophobicContact CD1-CB 4Å; L48-F98 HydrophobicContact CD1-CD1 4.1Å; L48-F98 HydrophobicContact CD1-CG 4.39Å; L48-F98 HydrophobicContact CD2-CD1 4.25Å; L48-E101 HydrophobicContact CD2-CB 3.87Å; L48-E101 WeakPolarHBondContact CD2-OE2 3.48Å; L48-V102 HydrophobicContact CD1-CG2 4.01Å; L48-V102 HydrophobicContact CD2-CG2 3.79Å; L48-V102 HydrophobicContact CG-CG2 3.89Å
49	A	91.8	Very high	83.6	Confident	0 Å²	0	51 Å²	51	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	140.7	175.6	0	0	0	0	0	109.5	W26 Y28 I29 V63 A64	W26-A49 HydrophobicContact CD2-CB 3.98Å; W26-A49 HydrophobicContact CE3-CB 3.5Å; W26-A49 HydrophobicContact CG-CB 4.41Å; W26-A49 HydrophobicContact CZ3-CB 4Å; W26-A49 WeakPolarHBondContact CZ3-O 3.4Å; Y28-A49 CarbonylContact O-C 3.55Å; Y28-A49 WeakPolarHBondContact O-CA 3.5Å; I29-A49 HydrophobicContact CG1-CB 4.5Å; A49-V63 CarbonylContact O-C 3.55Å; A49-V63 WeakPolarHBondContact O-CA 3.31Å; A49-A64 PolarHBondContact N-O 3.42Å; A49-A64 PolarHBondContact O-N 3.06Å
50	A	92.2	Very high	83.7	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	149	171.5	0	0	0	0	0	111	W26 D27 Y28 L61 K62 V63 V102 Y106	W26-A50 VanDerWaalsContact CE3-C 3.42Å; D27-A50 PolarHBondContact N-O 3.44Å; Y28-A50 HydrophobicContact CD1-CB 4.14Å; Y28-A50 HydrophobicContact CG-CB 4.46Å; Y28-A50 PolarHBondContact N-O 3.21Å; Y28-A50 PolarHBondContact O-N 3.47Å; A50-L61 HydrophobicContact CB-CD1 4.13Å; A50-K62 CarbonylContact C-O 3.59Å; A50-K62 WeakPolarHBondContact CA-O 3.47Å; A50-V63 HydrophobicContact CB-CG2 4.1Å; A50-V102 HydrophobicContact CB-CB 4.5Å; A50-V102 HydrophobicContact CB-CG1 3.53Å; A50-V102 HydrophobicContact CB-CG2 4.05Å; A50-Y106 HydrophobicContact CB-CE2 3.76Å; A50-Y106 PolarHBondContact O-OH 2.86Å
51	K	90.7	Very high	84	Confident	37 Å²	37	49.3 Å²	49.3	16%	0.161	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	139.4	170.3	71.9	176.1	-178.3	174.2	0	114.6	G25 W26 D27 K62	G25-K51 WeakPolarHBondContact O-CB 3.17Å; G25-K51 VanDerWaalsContact O-CD 3.27Å; G25-K51 WeakPolarHBondContact O-CD 3.45Å; W26-K51 HydrophobicContact CD2-CB 4.33Å; W26-K51 HydrophobicContact CD2-CD 4.04Å; W26-K51 HydrophobicContact CD2-CG 4.15Å; W26-K51 HydrophobicContact CE3-CB 3.98Å; W26-K51 HydrophobicContact CE3-CD 4.32Å; W26-K51 HydrophobicContact CE3-CG 3.91Å; W26-K51 HydrophobicContact CG-CD 4.43Å; W26-K51 HydrophobicContact CH2-CG 4.35Å; W26-K51 HydrophobicContact CZ2-CD 4.34Å; W26-K51 HydrophobicContact CZ3-CB 4.47Å; W26-K51 HydrophobicContact CZ3-CG 4.04Å; D27-K51 WeakPolarHBondContact OD1-CA 3.44Å; D27-K51 VanDerWaalsContact OD1-CB 3.22Å; D27-K51 WeakPolarHBondContact OD1-CB 3.41Å; K51-K62 HydrophobicContact CG-CB 4.12Å; K51-K62 PolarHBondContact N-O 3.13Å; K51-K62 PolarHBondContact O-N 2.88Å
52	Q	87.7	Confident	84.5	Confident	75 Å²	75	47 Å²	47	35%	0.35	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	137.9	173.5	-169.7	177.1	20.4	0	0	110	V59 K60 Y106 S109	Q52-V59 HydrophobicContact CG-CG1 3.65Å; Q52-K60 CarbonylContact C-O 3.57Å; Q52-K60 WeakPolarHBondContact CA-O 3.46Å; Q52-Y106 HydrophobicContact CB-CD1 4.24Å; Q52-Y106 HydrophobicContact CB-CE1 3.85Å; Q52-S109 PolarHBondContact NE2-OG 3.43Å; Q52-S109 PolarHBondContact OE1-OG 3.05Å
53	Y	85.2	Confident	85	Confident	85 Å²	85	46.6 Å²	46.6	33%	0.333	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	148.8	172.3	67.5	-76.2	0	0	0	109.7	N55 K60 K62	Y53-N55 HydrophobicContact CD2-CB 4.44Å; Y53-N55 HydrophobicContact CE2-CB 4.1Å; Y53-K60 HydrophobicContact CD1-CB 4.11Å; Y53-K60 WeakPolarHBondContact CD1-O 3.41Å; Y53-K60 HydrophobicContact CD2-CB 4.42Å; Y53-K60 HydrophobicContact CE1-CB 3.56Å; Y53-K60 HydrophobicContact CE2-CB 3.95Å; Y53-K60 HydrophobicContact CE2-CD 4.14Å; Y53-K60 VanDerWaalsContact CZ-CB 3.48Å; Y53-K60 PolarHBondContact N-O 3.15Å; Y53-K60 WeakPolarHBondContact O-CA 3.45Å; Y53-K60 PolarHBondContact O-N 3.43Å; Y53-K60 VanDerWaalsContact O-O 3.07Å; Y53-K60 WeakPolarHBondContact OH-CD 3.4Å; Y53-K62 HydrophobicContact CE1-CB 4Å
54	S	80.4	Confident	85.5	Confident	99 Å²	99	41.9 Å²	41.9	69%	0.692	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	135.6	176.2	-57.1	0	0	0	0	110
55	N	71.8	Confident	86	Confident	66 Å²	66	40 Å²	40	35%	0.353	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	110.3	174.4	-173.4	-6.3	0	0	0	109.7	Y53 D57 V58 K60	Y53-N55 HydrophobicContact CD2-CB 4.44Å; Y53-N55 HydrophobicContact CE2-CB 4.1Å; N55-D57 PolarHBondContact O-N 3.34Å; N55-D57 VanDerWaalsContact O-N 3.11Å; N55-V58 PolarHBondContact N-O 3.06Å; N55-V58 PolarHBondContact O-N 3.29Å; N55-K60 HydrophobicContact CB-CD 3.77Å; N55-K60 HydrophobicContact CB-CG 4.16Å; N55-K60 PolarHBondContact ND2-NZ 3.33Å
56	V	75.2	Confident	86.1	Confident	126 Å²	126	39.3 Å²	39.3	76%	0.764	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	-112.4	-169.3	-164.9	0	0	0	0	108.9
57	D	74.9	Confident	86	Confident	153 Å²	153	39.3 Å²	39.3	82%	0.818	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.6	7.1	-176.9	-54.7	-47.8	0	0	0	113	N55	N55-D57 PolarHBondContact O-N 3.34Å; N55-D57 VanDerWaalsContact O-N 3.11Å
58	V	76.6	Confident	85.8	Confident	61 Å²	61	39.2 Å²	39.2	37%	0.37	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.7	-176.1	-177.1	0	0	0	0	110.4	N55 K60 T119	N55-V58 PolarHBondContact N-O 3.06Å; N55-V58 PolarHBondContact O-N 3.29Å; V58-K60 HydrophobicContact CG1-CG 4.4Å; V58-K60 PolarHBondContact O-N 3.44Å; V58-T119 HydrophobicContact CG1-CG2 3.86Å
59	V	81.7	Confident	85.2	Confident	34 Å²	34	40.1 Å²	40.1	21%	0.206	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	120.5	166.1	169.9	0	0	0	0	108.2	Q52	Q52-V59 HydrophobicContact CG-CG1 3.65Å
60	K	86.7	Confident	84.5	Confident	57 Å²	57	41.4 Å²	41.4	25%	0.248	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.4	176.6	-69.2	-170.2	178.2	178.5	0	111.4	Q52 Y53 N55 V58 K118 T119	Q52-K60 CarbonylContact C-O 3.57Å; Q52-K60 WeakPolarHBondContact CA-O 3.46Å; Y53-K60 HydrophobicContact CD1-CB 4.11Å; Y53-K60 WeakPolarHBondContact CD1-O 3.41Å; Y53-K60 HydrophobicContact CD2-CB 4.42Å; Y53-K60 HydrophobicContact CE1-CB 3.56Å; Y53-K60 HydrophobicContact CE2-CB 3.95Å; Y53-K60 HydrophobicContact CE2-CD 4.14Å; Y53-K60 VanDerWaalsContact CZ-CB 3.48Å; Y53-K60 PolarHBondContact N-O 3.15Å; Y53-K60 WeakPolarHBondContact O-CA 3.45Å; Y53-K60 PolarHBondContact O-N 3.43Å; Y53-K60 VanDerWaalsContact O-O 3.07Å; Y53-K60 WeakPolarHBondContact OH-CD 3.4Å; N55-K60 HydrophobicContact CB-CD 3.77Å; N55-K60 HydrophobicContact CB-CG 4.16Å; N55-K60 PolarHBondContact ND2-NZ 3.33Å; V58-K60 HydrophobicContact CG1-CG 4.4Å; V58-K60 PolarHBondContact O-N 3.44Å; K60-K118 VanDerWaalsContact CE-O 3.28Å; K60-K118 WeakPolarHBondContact CE-O 3.44Å; K60-T119 CarbonylContact C-O 3.43Å; K60-T119 WeakPolarHBondContact CA-O 3.29Å
61	L	89	Confident	83.5	Confident	2 Å²	2	43 Å²	43	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	128.9	166	-174.3	70.1	0	0	0	109	A50 V63 V102 Y106 F112 I114 T119 T120 S121	A50-L61 HydrophobicContact CB-CD1 4.13Å; L61-V63 HydrophobicContact CD2-CG2 3.61Å; L61-V63 HydrophobicContact CG-CG2 3.84Å; L61-V102 HydrophobicContact CD2-CG1 3.84Å; L61-Y106 HydrophobicContact CD1-CD1 3.93Å; L61-Y106 HydrophobicContact CD1-CD2 3.87Å; L61-Y106 HydrophobicContact CD1-CE1 3.92Å; L61-Y106 HydrophobicContact CD1-CE2 3.84Å; L61-Y106 HydrophobicContact CD1-CG 3.89Å; L61-Y106 HydrophobicContact CD2-CD2 4.42Å; L61-F112 HydrophobicContact CB-CE2 3.78Å; L61-F112 HydrophobicContact CD2-CE2 3.39Å; L61-F112 HydrophobicContact CD2-CZ 3.49Å; L61-F112 VanDerWaalsContact CD2-CZ 3.49Å; L61-F112 HydrophobicContact CG-CE2 4.1Å; L61-I114 HydrophobicContact CD2-CD1 4.23Å; L61-I114 HydrophobicContact CD2-CG1 4.18Å; L61-T119 PolarHBondContact N-O 2.78Å; L61-T120 HydrophobicContact CB-CG2 4.43Å; L61-T120 HydrophobicContact CD2-CG2 4.39Å; L61-T120 CarbonylContact O-C 3.52Å; L61-T120 WeakPolarHBondContact O-CA 3.16Å; L61-S121 PolarHBondContact O-N 3.18Å
62	K	90.7	Very high	82.4	Confident	28 Å²	28	45 Å²	45	12%	0.122	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	124.1	165.8	-164.3	171.8	-170	159.3	0	108.5	W26 A50 K51 Y53 S121 S142 G143	W26-K62 HydrophobicContact CH2-CB 4.2Å; W26-K62 HydrophobicContact CH2-CD 3.87Å; W26-K62 HydrophobicContact CH2-CG 3.82Å; W26-K62 HydrophobicContact CZ2-CD 4.24Å; W26-K62 HydrophobicContact CZ3-CB 4.45Å; W26-K62 HydrophobicContact CZ3-CG 4.46Å; W26-K62 WeakPolarHBondContact CZ3-O 3.27Å; A50-K62 CarbonylContact C-O 3.59Å; A50-K62 WeakPolarHBondContact CA-O 3.47Å; K51-K62 HydrophobicContact CG-CB 4.12Å; K51-K62 PolarHBondContact N-O 3.13Å; K51-K62 PolarHBondContact O-N 2.88Å; Y53-K62 HydrophobicContact CE1-CB 4Å; K62-S121 CarbonylContact C-O 3.58Å; K62-S121 WeakPolarHBondContact CA-O 3.49Å; K62-S142 PolarHBondContact NZ-O 2.89Å; K62-G143 WeakPolarHBondContact CE-O 3.27Å; K62-G143 VanDerWaalsContact NZ-C 3.32Å; K62-G143 VanDerWaalsContact NZ-CA 3.31Å; K62-G143 PolarHBondContact NZ-O 2.87Å
63	V	91.7	Very high	81.3	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.3	173.4	-175.1	0	0	0	0	108.3	L48 A49 A50 L61 L99 V102 T120 S121 F122 S123	L48-V63 HydrophobicContact CD1-CG1 3.75Å; A49-V63 CarbonylContact O-C 3.55Å; A49-V63 WeakPolarHBondContact O-CA 3.31Å; A50-V63 HydrophobicContact CB-CG2 4.1Å; L61-V63 HydrophobicContact CD2-CG2 3.61Å; L61-V63 HydrophobicContact CG-CG2 3.84Å; V63-L99 HydrophobicContact CB-CD2 4.2Å; V63-L99 HydrophobicContact CG1-CD2 4.26Å; V63-L99 HydrophobicContact CG2-CD2 3.91Å; V63-V102 HydrophobicContact CG1-CG2 4.15Å; V63-V102 HydrophobicContact CG2-CG1 4.27Å; V63-T120 HydrophobicContact CG2-CG2 4.28Å; V63-S121 PolarHBondContact N-O 3.41Å; V63-F122 HydrophobicContact CB-CD2 3.94Å; V63-F122 HydrophobicContact CG1-CD2 3.74Å; V63-F122 HydrophobicContact CG1-CE2 3.99Å; V63-F122 CarbonylContact O-C 3.52Å; V63-F122 WeakPolarHBondContact O-CA 3.23Å; V63-S123 PolarHBondContact O-N 3.39Å
64	A	91.7	Very high	80.3	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.7	176.9	0	0	0	0	0	109.9	W26 A49 S123	W26-A64 HydrophobicContact CH2-CB 3.66Å; W26-A64 HydrophobicContact CZ2-CB 4.43Å; W26-A64 HydrophobicContact CZ3-CB 4.01Å; A49-A64 PolarHBondContact N-O 3.42Å; A49-A64 PolarHBondContact O-N 3.06Å; A64-S123 CarbonylContact C-O 3.58Å; A64-S123 VanDerWaalsContact CA-O 3.3Å; A64-S123 WeakPolarHBondContact CA-O 3.22Å
65	V	91.4	Very high	79.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	118.4	165.6	-178.4	0	0	0	0	107.8	L46 I47 L48 V91 F98 F122 S123 V124 K125	L46-V65 HydrophobicContact CB-CG1 4.37Å; L46-V65 HydrophobicContact CD1-CG1 4.4Å; L46-V65 HydrophobicContact CD2-CG1 4.47Å; I47-V65 CarbonylContact O-C 3.37Å; I47-V65 WeakPolarHBondContact O-CA 3.22Å; L48-V65 HydrophobicContact CD1-CG2 3.82Å; V65-V91 HydrophobicContact CB-CG1 4.08Å; V65-V91 HydrophobicContact CG1-CG1 3.67Å; V65-V91 HydrophobicContact CG2-CG1 4.49Å; V65-F98 HydrophobicContact CG1-CE1 4.25Å; V65-F98 HydrophobicContact CG1-CZ 4.09Å; V65-F98 HydrophobicContact CG2-CB 4.3Å; V65-F98 HydrophobicContact CG2-CD1 3.92Å; V65-F98 HydrophobicContact CG2-CD2 3.94Å; V65-F98 HydrophobicContact CG2-CE1 4.13Å; V65-F98 HydrophobicContact CG2-CE2 4.17Å; V65-F98 HydrophobicContact CG2-CG 3.8Å; V65-F98 HydrophobicContact CG2-CZ 4.23Å; V65-F122 HydrophobicContact CG2-CE2 3.79Å; V65-F122 HydrophobicContact CG2-CZ 3.64Å; V65-S123 PolarHBondContact N-O 3.14Å; V65-V124 HydrophobicContact CB-CG2 4.44Å; V65-V124 CarbonylContact O-C 3.48Å; V65-V124 WeakPolarHBondContact O-CA 3.05Å; V65-K125 PolarHBondContact O-N 3.25Å
66	V	88.9	Confident	78.9	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	107.4	177.2	-167.7	0	0	0	0	108.7	L46 I47 M68 K125 F135 L137 L144	L46-V66 CarbonylContact C-O 3.6Å; L46-V66 VanDerWaalsContact CA-O 3.23Å; L46-V66 WeakPolarHBondContact CA-O 3.49Å; I47-V66 HydrophobicContact CB-CB 4.1Å; I47-V66 HydrophobicContact CB-CG2 4.47Å; I47-V66 HydrophobicContact CG1-CB 4.42Å; I47-V66 PolarHBondContact N-O 3.14Å; I47-V66 PolarHBondContact O-N 3.48Å; V66-M68 HydrophobicContact CB-SD 4.3Å; V66-M68 HydrophobicContact CG1-SD 3.6Å; V66-M68 PolarHBondContact O-N 2.79Å; V66-K125 CarbonylContact C-O 3.59Å; V66-K125 VanDerWaalsContact CA-O 3.31Å; V66-K125 WeakPolarHBondContact CA-O 3.36Å; V66-F135 HydrophobicContact CG1-CE2 4.34Å; V66-L137 HydrophobicContact CG1-CD2 3.67Å; V66-L137 HydrophobicContact CG2-CD2 4.33Å; V66-L144 HydrophobicContact CG2-CD1 3.84Å
67	L	86.8	Confident	78	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	116.3	171.1	-82.2	172.1	0	0	0	109.3	M87 I88 V91 V124 K125 L126 G127	L67-M87 HydrophobicContact CD1-CG 3.9Å; L67-M87 HydrophobicContact CD1-SD 4.09Å; L67-M87 HydrophobicContact CD2-CG 4.35Å; L67-M87 HydrophobicContact CD2-SD 4.11Å; L67-I88 HydrophobicContact CD1-CG1 4.08Å; L67-V91 HydrophobicContact CD1-CB 4.48Å; L67-V91 HydrophobicContact CD1-CG2 3.78Å; L67-V91 HydrophobicContact CD2-CG2 3.71Å; L67-V91 HydrophobicContact CG-CG2 3.95Å; L67-V124 HydrophobicContact CD1-CG1 3.94Å; L67-V124 HydrophobicContact CG-CG1 4.33Å; L67-K125 PolarHBondContact N-O 3.42Å; L67-L126 HydrophobicContact CB-CD2 3.93Å; L67-L126 HydrophobicContact CD1-CD2 4.22Å; L67-G127 PolarHBondContact O-N 3.36Å
68	M	85.2	Confident	77.2	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	129.9	-174.2	-58.5	-60.8	-56.2	0	0	111.7	I17 W31 N44 P45 I47 V66 G127 Y129 F135	I17-M68 HydrophobicContact CD1-CE 3.53Å; W31-M68 HydrophobicContact CH2-CB 4.44Å; W31-M68 HydrophobicContact CH2-CG 3.96Å; W31-M68 HydrophobicContact CZ3-CG 4.03Å; N44-M68 PolarHBondContact ND2-O 3.05Å; P45-M68 HydrophobicContact CB-CB 4.14Å; P45-M68 VanDerWaalsContact O-CB 3.29Å; P45-M68 WeakPolarHBondContact O-CB 3.4Å; P45-M68 PolarHBondContact O-N 3.1Å; I47-M68 HydrophobicContact CD1-CG 4.19Å; I47-M68 HydrophobicContact CD1-SD 3.74Å; I47-M68 HydrophobicContact CG1-CG 3.96Å; I47-M68 HydrophobicContact CG1-SD 4.08Å; V66-M68 HydrophobicContact CB-SD 4.3Å; V66-M68 HydrophobicContact CG1-SD 3.6Å; V66-M68 PolarHBondContact O-N 2.79Å; M68-G127 CarbonylContact C-O 3.52Å; M68-G127 WeakPolarHBondContact CA-O 3.25Å; M68-Y129 HydrophobicContact CB-CD1 4.04Å; M68-Y129 HydrophobicContact CB-CE1 4.01Å; M68-Y129 HydrophobicContact CE-CD1 3.72Å; M68-Y129 HydrophobicContact CE-CG 4.27Å; M68-F135 HydrophobicContact CE-CD2 3.63Å; M68-F135 HydrophobicContact CE-CE2 4.07Å; M68-F135 HydrophobicContact SD-CD2 4.37Å; M68-F135 HydrophobicContact SD-CE2 4.21Å
69	I	80.2	Confident	76.4	Confident	19 Å²	19	47.2 Å²	47.2	10%	0.097	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.5	179.9	-54.7	179.8	0	0	0	109.3	L71 D73 L84 L126 G127 C128 Y129	I69-L71 PolarHBondContact O-N 3.19Å; I69-D73 HydrophobicContact CG2-CB 4.24Å; I69-L84 HydrophobicContact CD1-CD2 3.44Å; I69-L84 VanDerWaalsContact CD1-CD2 3.44Å; I69-L126 HydrophobicContact CD1-CD2 4.01Å; I69-G127 PolarHBondContact N-O 2.91Å; I69-C128 CarbonylContact O-C 3.56Å; I69-C128 WeakPolarHBondContact O-CA 3.45Å; I69-Y129 WeakPolarHBondContact O-CD1 3.45Å; I69-Y129 PolarHBondContact O-N 3.39Å
70	P	76.2	Confident	75.8	Confident	28 Å²	28	49.5 Å²	49.5	18%	0.182	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	134.7	171.8	-21.6	32.3	0	0	0	111.5	I72 D73 F74 Y129	P70-I72 PolarHBondContact O-N 2.89Å; P70-D73 HydrophobicContact CB-CB 4.26Å; P70-D73 WeakPolarHBondContact CG-OD2 3.31Å; P70-D73 WeakPolarHBondContact O-CB 3.47Å; P70-D73 PolarHBondContact O-N 3.49Å; P70-F74 PolarHBondContact O-N 2.86Å; P70-F74 VanDerWaalsContact O-N 3.1Å; P70-Y129 HydrophobicContact CG-CE1 4.26Å
71	L	72.1	Confident	75.1	Confident	33 Å²	33	53 Å²	53	17%	0.173	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-33.6	179	-173.7	69.4	0	0	0	112.1	I69 D73 F74 S75 C128 Y129 E130 M136	I69-L71 PolarHBondContact O-N 3.19Å; L71-D73 VanDerWaalsContact C-N 3.28Å; L71-D73 PolarHBondContact O-N 2.79Å; L71-F74 PolarHBondContact O-N 2.81Å; L71-S75 WeakPolarHBondContact O-CB 3.33Å; L71-S75 PolarHBondContact O-N 3.12Å; L71-S75 PolarHBondContact O-OG 2.8Å; L71-C128 HydrophobicContact CD1-CB 4.07Å; L71-Y129 PolarHBondContact N-O 3.24Å; L71-E130 HydrophobicContact CB-CG 3.78Å; L71-E130 VanDerWaalsContact CD2-CD 3.43Å; L71-E130 HydrophobicContact CD2-CG 3.27Å; L71-E130 WeakPolarHBondContact CD2-OE1 3.48Å; L71-E130 HydrophobicContact CG-CG 4.13Å; L71-M136 HydrophobicContact CD1-CE 3.73Å; L71-M136 HydrophobicContact CD2-CE 4.05Å
72	I	65.9	Low	74.4	Confident	80 Å²	80	59.2 Å²	59.2	41%	0.41	30%	0.304	S	S	.	.	H	α-helix	trans	-61.3	-39.5	175.8	-62.1	172	0	0	0	110.7	P70 S75 K76	P70-I72 PolarHBondContact O-N 2.89Å; I72-S75 WeakPolarHBondContact CA-OG 3.21Å; I72-S75 PolarHBondContact O-OG 2.8Å; I72-K76 HydrophobicContact CG2-CD 3.86Å; I72-K76 HydrophobicContact CG2-CG 4.43Å; I72-K76 WeakPolarHBondContact O-CB 3.4Å; I72-K76 WeakPolarHBondContact O-CG 3.43Å; I72-K76 PolarHBondContact O-N 2.91Å; I72-K76 VanDerWaalsContact O-N 3.12Å
73	D	65.2	Low	73.7	Confident	59 Å²	59	61.1 Å²	61.1	32%	0.316	32%	0.321	S	S	.	.	H	α-helix	trans	-66.8	-41.4	175	-82.6	-51.7	0	0	0	111.2	I69 P70 L71 S75 K77	I69-D73 HydrophobicContact CG2-CB 4.24Å; P70-D73 HydrophobicContact CB-CB 4.26Å; P70-D73 WeakPolarHBondContact CG-OD2 3.31Å; P70-D73 WeakPolarHBondContact O-CB 3.47Å; P70-D73 PolarHBondContact O-N 3.49Å; L71-D73 VanDerWaalsContact C-N 3.28Å; L71-D73 PolarHBondContact O-N 2.79Å; D73-S75 PolarHBondContact O-N 3.46Å; D73-K77 VanDerWaalsContact O-CB 3.31Å; D73-K77 WeakPolarHBondContact O-CB 3.44Å; D73-K77 PolarHBondContact O-N 3.45Å; D73-K77 VanDerWaalsContact O-N 3.13Å; D73-K77 VanDerWaalsContact OD1-CE 3.28Å; D73-K77 WeakPolarHBondContact OD1-CE 3.42Å; D73-K77 IonicContact OD1-NZ 3.95Å; D73-K77 PolarHBondContact OD1-NZ 2.93Å
74	F	63.3	Low	73	Confident	66 Å²	66	62.3 Å²	62.3	29%	0.289	33%	0.327	S	S	.	.	H	α-helix	trans	-66.5	-34.6	179.6	-164.5	-92.3	0	0	0	113.3	P70 L71 V79 L84 I138	P70-F74 PolarHBondContact O-N 2.86Å; P70-F74 VanDerWaalsContact O-N 3.1Å; L71-F74 PolarHBondContact O-N 2.81Å; F74-V79 HydrophobicContact CB-CG2 4.44Å; F74-V79 HydrophobicContact CD2-CG1 4.36Å; F74-V79 HydrophobicContact CD2-CG2 3.72Å; F74-V79 HydrophobicContact CE2-CG1 4.12Å; F74-V79 HydrophobicContact CE2-CG2 4.01Å; F74-V79 HydrophobicContact CG-CG2 4.01Å; F74-V79 WeakPolarHBondContact O-CG2 3.49Å; F74-L84 HydrophobicContact CE2-CD1 4.42Å; F74-I138 HydrophobicContact CD1-CD1 3.8Å; F74-I138 HydrophobicContact CD2-CD1 4.01Å; F74-I138 HydrophobicContact CE1-CD1 3.66Å; F74-I138 HydrophobicContact CE2-CD1 3.88Å; F74-I138 HydrophobicContact CE2-CG2 4.35Å; F74-I138 HydrophobicContact CG-CD1 3.98Å; F74-I138 HydrophobicContact CZ-CD1 3.71Å; F74-I138 HydrophobicContact CZ-CG2 3.9Å
75	S	63.8	Low	72.4	Confident	85 Å²	85	67.3 Å²	67.3	59%	0.594	35%	0.35	S	S	*	.	H	α-helix	trans	-84.9	-31.2	-177.5	52	0	0	0	0	114	L71 I72 D73	L71-S75 WeakPolarHBondContact O-CB 3.33Å; L71-S75 PolarHBondContact O-N 3.12Å; L71-S75 PolarHBondContact O-OG 2.8Å; I72-S75 WeakPolarHBondContact CA-OG 3.21Å; I72-S75 PolarHBondContact O-OG 2.8Å; D73-S75 PolarHBondContact O-N 3.46Å
76	K	60.6	Low	72	Confident	170 Å²	170	70.1 Å²	70.1	74%	0.739	37%	0.37	S	S	*	.	H	α-helix	trans	-97.2	-30	-174	-69.5	-172.9	178.4	179.3	0	114.2	I72	I72-K76 HydrophobicContact CG2-CD 3.86Å; I72-K76 HydrophobicContact CG2-CG 4.43Å; I72-K76 WeakPolarHBondContact O-CB 3.4Å; I72-K76 WeakPolarHBondContact O-CG 3.43Å; I72-K76 PolarHBondContact O-N 2.91Å; I72-K76 VanDerWaalsContact O-N 3.12Å
77	K	54.9	Low	71.7	Confident	127 Å²	127	72.4 Å²	72.4	55%	0.552	38%	0.381	S	S	*	.	S	Bend	trans	-80.4	140.3	175.1	-66.1	179.1	175.9	156.3	0	106.8	D73 V79	D73-K77 VanDerWaalsContact O-CB 3.31Å; D73-K77 WeakPolarHBondContact O-CB 3.44Å; D73-K77 PolarHBondContact O-N 3.45Å; D73-K77 VanDerWaalsContact O-N 3.13Å; D73-K77 VanDerWaalsContact OD1-CE 3.28Å; D73-K77 WeakPolarHBondContact OD1-CE 3.42Å; D73-K77 IonicContact OD1-NZ 3.95Å; D73-K77 PolarHBondContact OD1-NZ 2.93Å; K77-V79 PolarHBondContact O-N 3.34Å
78	N	58.6	Low	71.5	Confident	165 Å²	165	73.7 Å²	73.7	88%	0.882	39%	0.388	S	S	*	.			trans	-55.6	93.5	144.9	-78.4	-16.7	0	0	0	103.9	D80	N78-D80 PolarHBondContact O-N 3.09Å
79	V	60.2	Low	71.5	Confident	38 Å²	38	77.8 Å²	77.8	23%	0.23	41%	0.407	C	S	.	.			trans	-53.3	111.4	179.6	169.6	0	0	0	0	104.1	F74 K77 I81 L84	F74-V79 HydrophobicContact CB-CG2 4.44Å; F74-V79 HydrophobicContact CD2-CG1 4.36Å; F74-V79 HydrophobicContact CD2-CG2 3.72Å; F74-V79 HydrophobicContact CE2-CG1 4.12Å; F74-V79 HydrophobicContact CE2-CG2 4.01Å; F74-V79 HydrophobicContact CG-CG2 4.01Å; F74-V79 WeakPolarHBondContact O-CG2 3.49Å; K77-V79 PolarHBondContact O-N 3.34Å; V79-I81 WeakPolarHBondContact O-CG1 3.41Å; V79-I81 PolarHBondContact O-N 3.32Å; V79-L84 HydrophobicContact CG1-CD1 3.1Å; V79-L84 HydrophobicContact CG1-CG 3.71Å
80	D	69.9	Low	71.9	Confident	83 Å²	83	79.3 Å²	79.3	44%	0.444	42%	0.417	S	S	.	.			trans	-69.9	96	-179.4	176.6	5.1	0	0	0	106.1	N78 L82 S83 L84	N78-D80 PolarHBondContact O-N 3.09Å; D80-L82 PolarHBondContact O-N 3.31Å; D80-L82 WeakPolarHBondContact OD1-CB 3.36Å; D80-L82 PolarHBondContact OD1-N 2.89Å; D80-L82 VanDerWaalsContact OD1-N 3.1Å; D80-S83 VanDerWaalsContact CG-OG 3.31Å; D80-S83 WeakPolarHBondContact O-CA 3.47Å; D80-S83 WeakPolarHBondContact O-CB 3.38Å; D80-S83 PolarHBondContact O-N 3.4Å; D80-S83 PolarHBondContact OD1-N 2.72Å; D80-S83 WeakPolarHBondContact OD2-CB 3.37Å; D80-S83 PolarHBondContact OD2-OG 2.91Å; D80-L84 PolarHBondContact O-N 3.3Å
81	I	70.7	Confident	72.4	Confident	131 Å²	131	78 Å²	78	67%	0.672	41%	0.409	S	S	*	.	H	α-helix	trans	-57.2	-33.8	-176.6	-62.5	176.3	0	0	0	109.4	V79 L84 H85	V79-I81 WeakPolarHBondContact O-CG1 3.41Å; V79-I81 PolarHBondContact O-N 3.32Å; I81-L84 PolarHBondContact O-N 3.5Å; I81-H85 VanDerWaalsContact O-CB 3.31Å; I81-H85 WeakPolarHBondContact O-CB 3.47Å; I81-H85 PolarHBondContact O-N 2.62Å
82	L	74.7	Confident	73.1	Confident	132 Å²	132	81.1 Å²	81.1	69%	0.691	42%	0.422	S	S	*	.	H	α-helix	trans	-68.4	-42.8	177.3	-60.5	176.6	0	0	0	111.1	D80 H85 S86	D80-L82 PolarHBondContact O-N 3.31Å; D80-L82 WeakPolarHBondContact OD1-CB 3.36Å; D80-L82 PolarHBondContact OD1-N 2.89Å; D80-L82 VanDerWaalsContact OD1-N 3.1Å; L82-H85 PolarHBondContact O-N 2.75Å; L82-S86 WeakPolarHBondContact O-CB 3.43Å; L82-S86 PolarHBondContact O-N 2.9Å; L82-S86 PolarHBondContact O-OG 3.1Å
83	S	76.7	Confident	74.2	Confident	67 Å²	67	84.6 Å²	84.6	47%	0.469	44%	0.437	S	S	.	.	H	α-helix	trans	-62.9	-41.1	173.7	-73.8	0	0	0	0	112.1	D80 M87	D80-S83 VanDerWaalsContact CG-OG 3.31Å; D80-S83 WeakPolarHBondContact O-CA 3.47Å; D80-S83 WeakPolarHBondContact O-CB 3.38Å; D80-S83 PolarHBondContact O-N 3.4Å; D80-S83 PolarHBondContact OD1-N 2.72Å; D80-S83 WeakPolarHBondContact OD2-CB 3.37Å; D80-S83 PolarHBondContact OD2-OG 2.91Å; S83-M87 WeakPolarHBondContact O-CB 3.48Å; S83-M87 PolarHBondContact O-N 2.94Å
84	L	75.8	Confident	75.4	Confident	25 Å²	25	84 Å²	84	13%	0.131	43%	0.434	C	S	.	.	H	α-helix	trans	-64.9	-44.5	175	-75.1	-168.5	0	0	0	112.5	I69 F74 V79 D80 I81 S86 M87 I88 L126	I69-L84 HydrophobicContact CD1-CD2 3.44Å; I69-L84 VanDerWaalsContact CD1-CD2 3.44Å; F74-L84 HydrophobicContact CE2-CD1 4.42Å; V79-L84 HydrophobicContact CG1-CD1 3.1Å; V79-L84 HydrophobicContact CG1-CG 3.71Å; D80-L84 PolarHBondContact O-N 3.3Å; I81-L84 PolarHBondContact O-N 3.5Å; L84-S86 VanDerWaalsContact C-N 3.34Å; L84-M87 WeakPolarHBondContact O-CB 3.42Å; L84-M87 PolarHBondContact O-N 3.36Å; L84-I88 WeakPolarHBondContact O-CG1 3.39Å; L84-I88 PolarHBondContact O-N 2.79Å; L84-L126 HydrophobicContact CD1-CD1 4Å
85	H	79.3	Confident	76.7	Confident	105 Å²	105	84.8 Å²	84.8	49%	0.486	44%	0.435	S	S	.	.	H	α-helix	trans	-60.2	-47.2	177.5	-171.3	-88.1	0	0	0	110.8	I81 L82 M87 I88 E89	I81-H85 VanDerWaalsContact O-CB 3.31Å; I81-H85 WeakPolarHBondContact O-CB 3.47Å; I81-H85 PolarHBondContact O-N 2.62Å; L82-H85 PolarHBondContact O-N 2.75Å; H85-M87 VanDerWaalsContact C-N 3.27Å; H85-M87 PolarHBondContact O-N 3.37Å; H85-I88 PolarHBondContact O-N 3.31Å; H85-I88 VanDerWaalsContact O-N 3.15Å; H85-E89 IonicContact CE1-OE1 3.47Å; H85-E89 PolarHBondContact CE1-OE1 2.97Å; H85-E89 IonicContact CE1-OE2 3.55Å; H85-E89 IonicContact ND1-OE1 3.06Å; H85-E89 PolarHBondContact ND1-OE1 2.9Å; H85-E89 IonicContact ND1-OE2 3.04Å; H85-E89 WeakPolarHBondContact O-CG 3.34Å; H85-E89 PolarHBondContact O-N 3.02Å
86	S	82.8	Confident	77.9	Confident	60 Å²	60	84.4 Å²	84.4	42%	0.42	43%	0.429	S	S	.	.	H	α-helix	trans	-59.8	-38.8	176.8	-55.4	0	0	0	0	111.7	L82 L84 T90	L82-S86 WeakPolarHBondContact O-CB 3.43Å; L82-S86 PolarHBondContact O-N 2.9Å; L82-S86 PolarHBondContact O-OG 3.1Å; L84-S86 VanDerWaalsContact C-N 3.34Å; S86-T90 WeakPolarHBondContact O-CB 3.42Å; S86-T90 PolarHBondContact O-N 2.98Å; S86-T90 PolarHBondContact O-OG1 2.83Å
87	M	81.9	Confident	79.2	Confident	47 Å²	47	77.8 Å²	77.8	23%	0.232	41%	0.409	C	S	.	.	H	α-helix	trans	-66.2	-44	175.8	-172.8	-175.4	-65.4	0	0	111.7	N44 L67 S83 L84 H85 T90 V91	N44-M87 WeakPolarHBondContact OD1-CE 3.04Å; L67-M87 HydrophobicContact CD1-CG 3.9Å; L67-M87 HydrophobicContact CD1-SD 4.09Å; L67-M87 HydrophobicContact CD2-CG 4.35Å; L67-M87 HydrophobicContact CD2-SD 4.11Å; S83-M87 WeakPolarHBondContact O-CB 3.48Å; S83-M87 PolarHBondContact O-N 2.94Å; L84-M87 WeakPolarHBondContact O-CB 3.42Å; L84-M87 PolarHBondContact O-N 3.36Å; H85-M87 VanDerWaalsContact C-N 3.27Å; H85-M87 PolarHBondContact O-N 3.37Å; M87-T90 PolarHBondContact O-N 2.88Å; M87-V91 WeakPolarHBondContact O-CG2 2.99Å; M87-V91 PolarHBondContact O-N 3.21Å
88	I	84	Confident	80.9	Confident	28 Å²	28	71.9 Å²	71.9	14%	0.144	38%	0.383	C	S	.	.	H	α-helix	trans	-60.2	-49	175.7	-70.6	165.4	0	0	0	110.2	L67 L84 H85 T90 V91 E92 V124 L126	L67-I88 HydrophobicContact CD1-CG1 4.08Å; L84-I88 WeakPolarHBondContact O-CG1 3.39Å; L84-I88 PolarHBondContact O-N 2.79Å; H85-I88 PolarHBondContact O-N 3.31Å; H85-I88 VanDerWaalsContact O-N 3.15Å; I88-T90 VanDerWaalsContact C-N 3.29Å; I88-T90 PolarHBondContact O-N 2.49Å; I88-V91 PolarHBondContact O-N 2.86Å; I88-V91 VanDerWaalsContact O-N 3.13Å; I88-E92 HydrophobicContact CG2-CG 4.43Å; I88-E92 WeakPolarHBondContact O-CG 3.23Å; I88-E92 PolarHBondContact O-N 3.41Å; I88-V124 HydrophobicContact CG1-CG1 4.36Å; I88-V124 HydrophobicContact CG2-CB 4.19Å; I88-V124 HydrophobicContact CG2-CG1 4.12Å; I88-L126 HydrophobicContact CD1-CD1 4.07Å; I88-L126 HydrophobicContact CD1-CD2 4.25Å; I88-L126 HydrophobicContact CD1-CG 4.1Å; I88-L126 HydrophobicContact CG1-CD2 4.3Å
89	E	85.5	Confident	82.4	Confident	86 Å²	86	64 Å²	64	40%	0.402	34%	0.341	S	S	.	.	H	α-helix	trans	-58	-42.5	177	-73.9	-179.3	146.8	0	0	111.7	H85 V91 E92 Q93	H85-E89 IonicContact CE1-OE1 3.47Å; H85-E89 PolarHBondContact CE1-OE1 2.97Å; H85-E89 IonicContact CE1-OE2 3.55Å; H85-E89 IonicContact ND1-OE1 3.06Å; H85-E89 PolarHBondContact ND1-OE1 2.9Å; H85-E89 IonicContact ND1-OE2 3.04Å; H85-E89 WeakPolarHBondContact O-CG 3.34Å; H85-E89 PolarHBondContact O-N 3.02Å; E89-V91 VanDerWaalsContact C-N 3.33Å; E89-V91 PolarHBondContact O-N 2.8Å; E89-E92 PolarHBondContact O-N 2.91Å; E89-Q93 VanDerWaalsContact O-CG 3.27Å; E89-Q93 WeakPolarHBondContact O-CG 3.44Å; E89-Q93 PolarHBondContact O-N 3.23Å
90	T	87.6	Confident	83.8	Confident	50 Å²	50	67.2 Å²	67.2	31%	0.307	35%	0.353	S	S	.	.	H	α-helix	trans	-62.7	-41	177.6	-55.4	0	0	0	0	111.2	V39 S86 M87 I88 Q93 N94	V39-T90 HydrophobicContact CG1-CG2 3.66Å; S86-T90 WeakPolarHBondContact O-CB 3.42Å; S86-T90 PolarHBondContact O-N 2.98Å; S86-T90 PolarHBondContact O-OG1 2.83Å; M87-T90 PolarHBondContact O-N 2.88Å; I88-T90 VanDerWaalsContact C-N 3.29Å; I88-T90 PolarHBondContact O-N 2.49Å; T90-Q93 PolarHBondContact O-N 2.85Å; T90-N94 PolarHBondContact O-N 2.87Å; T90-N94 PolarHBondContact O-ND2 2.85Å
91	V	87	Confident	84.6	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-65.8	-42.1	174.5	175.4	0	0	0	0	111.2	V39 V65 L67 M87 I88 E89 Q93 N94 R95 F98 V124	V39-V91 HydrophobicContact CG1-CG2 4.28Å; V39-V91 HydrophobicContact CG2-CG2 4.29Å; V65-V91 HydrophobicContact CB-CG1 4.08Å; V65-V91 HydrophobicContact CG1-CG1 3.67Å; V65-V91 HydrophobicContact CG2-CG1 4.49Å; L67-V91 HydrophobicContact CD1-CB 4.48Å; L67-V91 HydrophobicContact CD1-CG2 3.78Å; L67-V91 HydrophobicContact CD2-CG2 3.71Å; L67-V91 HydrophobicContact CG-CG2 3.95Å; M87-V91 WeakPolarHBondContact O-CG2 2.99Å; M87-V91 PolarHBondContact O-N 3.21Å; I88-V91 PolarHBondContact O-N 2.86Å; I88-V91 VanDerWaalsContact O-N 3.13Å; E89-V91 VanDerWaalsContact C-N 3.33Å; E89-V91 PolarHBondContact O-N 2.8Å; V91-Q93 VanDerWaalsContact C-N 3.31Å; V91-Q93 PolarHBondContact O-N 2.82Å; V91-N94 CarbonylContact O-C 3.53Å; V91-N94 PolarHBondContact O-N 3.48Å; V91-R95 PolarHBondContact O-N 3.06Å; V91-F98 HydrophobicContact CG1-CE2 3.68Å; V91-F98 HydrophobicContact CG1-CZ 4.03Å; V91-V124 HydrophobicContact CB-CG1 4.13Å; V91-V124 HydrophobicContact CB-CG2 4.18Å; V91-V124 HydrophobicContact CG1-CB 4.43Å; V91-V124 HydrophobicContact CG1-CG1 3.89Å; V91-V124 HydrophobicContact CG1-CG2 3.6Å
92	E	87.1	Confident	85.5	Confident	99 Å²	99	59.1 Å²	59.1	46%	0.463	31%	0.31	S	S	.	.	H	α-helix	trans	-62.5	-37.4	177	-73.8	-171.8	167.8	0	0	112.4	I88 E89 N94 R95 V124	I88-E92 HydrophobicContact CG2-CG 4.43Å; I88-E92 WeakPolarHBondContact O-CG 3.23Å; I88-E92 PolarHBondContact O-N 3.41Å; E89-E92 PolarHBondContact O-N 2.91Å; E92-N94 PolarHBondContact O-N 2.89Å; E92-R95 WeakPolarHBondContact O-CB 3.45Å; E92-R95 PolarHBondContact O-N 2.81Å; E92-V124 HydrophobicContact CG-CB 4.13Å; E92-V124 HydrophobicContact CG-CG2 3.44Å; E92-V124 VanDerWaalsContact CG-CG2 3.44Å
93	Q	89	Confident	86.2	Confident	153 Å²	153	56.8 Å²	56.8	72%	0.715	30%	0.295	S	S	*	.	H	α-helix	trans	-63.2	-26.6	173.9	-73.2	170.5	5.2	0	0	112.7	E89 T90 V91 R95	E89-Q93 VanDerWaalsContact O-CG 3.27Å; E89-Q93 WeakPolarHBondContact O-CG 3.44Å; E89-Q93 PolarHBondContact O-N 3.23Å; T90-Q93 PolarHBondContact O-N 2.85Å; V91-Q93 VanDerWaalsContact C-N 3.31Å; V91-Q93 PolarHBondContact O-N 2.82Å; Q93-R95 VanDerWaalsContact C-N 3.32Å
94	N	89.4	Confident	86.4	Confident	46 Å²	46	59.8 Å²	59.8	25%	0.246	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	12	176.2	-72.4	-85.2	0	0	0	113.1	L38 V39 T90 V91 E92 V96 G97 F98	L38-N94 PolarHBondContact O-OD1 3.33Å; V39-N94 HydrophobicContact CG2-CB 4Å; T90-N94 PolarHBondContact O-N 2.87Å; T90-N94 PolarHBondContact O-ND2 2.85Å; V91-N94 CarbonylContact O-C 3.53Å; V91-N94 PolarHBondContact O-N 3.48Å; E92-N94 PolarHBondContact O-N 2.89Å; N94-V96 PolarHBondContact O-N 3.43Å; N94-V96 VanDerWaalsContact O-N 3.13Å; N94-G97 PolarHBondContact O-N 2.87Å; N94-G97 VanDerWaalsContact O-N 3.14Å; N94-F98 HydrophobicContact CB-CD2 4.49Å; N94-F98 HydrophobicContact CB-CE2 4.02Å; N94-F98 VanDerWaalsContact O-CD2 3.22Å; N94-F98 WeakPolarHBondContact O-CD2 3.09Å; N94-F98 PolarHBondContact O-N 3.41Å
95	R	90.5	Very high	86.9	Confident	84 Å²	84	64.2 Å²	64.2	32%	0.317	32%	0.321	S	S	.	.	H	α-helix	trans	-47.1	-43.5	-179.7	172	176.4	177.2	177.9	-1	113.7	V91 E92 Q93 G97 F98 L99 F122	V91-R95 PolarHBondContact O-N 3.06Å; E92-R95 WeakPolarHBondContact O-CB 3.45Å; E92-R95 PolarHBondContact O-N 2.81Å; Q93-R95 VanDerWaalsContact C-N 3.32Å; R95-G97 PolarHBondContact O-N 2.77Å; R95-F98 PolarHBondContact O-N 2.9Å; R95-L99 HydrophobicContact CG-CD1 3.92Å; R95-L99 HydrophobicContact CG-CG 4.1Å; R95-L99 WeakPolarHBondContact O-CG 3.26Å; R95-L99 PolarHBondContact O-N 2.87Å; R95-F122 HydrophobicContact CB-CD1 4.27Å; R95-F122 HydrophobicContact CB-CE1 3.93Å; R95-F122 HydrophobicContact CB-CE2 4.49Å; R95-F122 HydrophobicContact CB-CZ 4.05Å; R95-F122 HydrophobicContact CG-CB 4.43Å; R95-F122 HydrophobicContact CG-CD1 3.8Å; R95-F122 HydrophobicContact CG-CD2 3.94Å; R95-F122 HydrophobicContact CG-CE1 3.92Å; R95-F122 HydrophobicContact CG-CE2 4.06Å; R95-F122 HydrophobicContact CG-CG 3.8Å; R95-F122 HydrophobicContact CG-CZ 4.05Å
96	V	89.3	Confident	87.1	Confident	77 Å²	77	59.5 Å²	59.5	47%	0.467	30%	0.299	S	S	.	.	H	α-helix	trans	-57.9	-47.6	-176.8	175.2	0	0	0	0	111	N94 F98 L99 E100 Y115	N94-V96 PolarHBondContact O-N 3.43Å; N94-V96 VanDerWaalsContact O-N 3.13Å; V96-F98 VanDerWaalsContact C-N 3.32Å; V96-F98 PolarHBondContact O-N 3.23Å; V96-L99 PolarHBondContact O-N 3.41Å; V96-L99 VanDerWaalsContact O-N 3.14Å; V96-E100 HydrophobicContact CG1-CG 4.45Å; V96-E100 WeakPolarHBondContact O-CG 3.43Å; V96-E100 PolarHBondContact O-N 2.93Å; V96-Y115 HydrophobicContact CG1-CE1 4.17Å; V96-Y115 HydrophobicContact CG2-CE1 4.44Å
97	G	88.7	Confident	87	Confident	31 Å²	31	63 Å²	63	32%	0.32	31%	0.306	S	S	.	.	H	α-helix	trans	-60.7	-40.6	179.3	0	0	0	0	0	112.7	N94 R95 E100 E101	N94-G97 PolarHBondContact O-N 2.87Å; N94-G97 VanDerWaalsContact O-N 3.14Å; R95-G97 PolarHBondContact O-N 2.77Å; G97-E100 PolarHBondContact O-N 3.19Å; G97-E101 WeakPolarHBondContact O-CG 3.25Å; G97-E101 PolarHBondContact O-N 2.93Å; G97-E101 VanDerWaalsContact O-N 3.1Å
98	F	90.6	Very high	86.9	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.009	33%	0.332	C	S	.	.	H	α-helix	trans	-65.1	-40.2	175.3	-66.3	-65.6	0	0	0	113	L38 V39 L46 L48 V65 V91 N94 R95 V96 E101 V102 F122	L38-F98 HydrophobicContact CB-CE1 4.1Å; L38-F98 HydrophobicContact CB-CZ 4.35Å; L38-F98 HydrophobicContact CD1-CD1 4.28Å; L38-F98 HydrophobicContact CD1-CE1 3.82Å; V39-F98 HydrophobicContact CG2-CE1 4.47Å; V39-F98 HydrophobicContact CG2-CE2 3.75Å; V39-F98 HydrophobicContact CG2-CZ 3.37Å; L46-F98 HydrophobicContact CD1-CE1 3.91Å; L46-F98 HydrophobicContact CD2-CE1 4.19Å; L46-F98 HydrophobicContact CD2-CZ 4.05Å; L48-F98 HydrophobicContact CD1-CB 4Å; L48-F98 HydrophobicContact CD1-CD1 4.1Å; L48-F98 HydrophobicContact CD1-CG 4.39Å; L48-F98 HydrophobicContact CD2-CD1 4.25Å; V65-F98 HydrophobicContact CG1-CE1 4.25Å; V65-F98 HydrophobicContact CG1-CZ 4.09Å; V65-F98 HydrophobicContact CG2-CB 4.3Å; V65-F98 HydrophobicContact CG2-CD1 3.92Å; V65-F98 HydrophobicContact CG2-CD2 3.94Å; V65-F98 HydrophobicContact CG2-CE1 4.13Å; V65-F98 HydrophobicContact CG2-CE2 4.17Å; V65-F98 HydrophobicContact CG2-CG 3.8Å; V65-F98 HydrophobicContact CG2-CZ 4.23Å; V91-F98 HydrophobicContact CG1-CE2 3.68Å; V91-F98 HydrophobicContact CG1-CZ 4.03Å; N94-F98 HydrophobicContact CB-CD2 4.49Å; N94-F98 HydrophobicContact CB-CE2 4.02Å; N94-F98 VanDerWaalsContact O-CD2 3.22Å; N94-F98 WeakPolarHBondContact O-CD2 3.09Å; N94-F98 PolarHBondContact O-N 3.41Å; R95-F98 PolarHBondContact O-N 2.9Å; V96-F98 VanDerWaalsContact C-N 3.32Å; V96-F98 PolarHBondContact O-N 3.23Å; F98-E101 PolarHBondContact O-N 2.59Å; F98-V102 WeakPolarHBondContact O-CG2 3.4Å; F98-V102 PolarHBondContact O-N 2.94Å; F98-F122 HydrophobicContact CB-CE2 3.94Å; F98-F122 HydrophobicContact CB-CZ 4.42Å; F98-F122 HydrophobicContact CD2-CE2 4.43Å; F98-F122 HydrophobicContact CD2-CZ 4.08Å; F98-F122 HydrophobicContact CG-CE2 4.49Å
99	L	90.7	Very high	86.5	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-64	-45.1	176	-67.3	-177.7	0	0	0	110.3	V63 R95 V96 E101 V102 F103 I114 Y115 T120 F122	V63-L99 HydrophobicContact CB-CD2 4.2Å; V63-L99 HydrophobicContact CG1-CD2 4.26Å; V63-L99 HydrophobicContact CG2-CD2 3.91Å; R95-L99 HydrophobicContact CG-CD1 3.92Å; R95-L99 HydrophobicContact CG-CG 4.1Å; R95-L99 WeakPolarHBondContact O-CG 3.26Å; R95-L99 PolarHBondContact O-N 2.87Å; V96-L99 PolarHBondContact O-N 3.41Å; V96-L99 VanDerWaalsContact O-N 3.14Å; L99-E101 VanDerWaalsContact C-N 3.26Å; L99-E101 PolarHBondContact O-N 3Å; L99-V102 CarbonylContact O-C 3.55Å; L99-V102 PolarHBondContact O-N 3.38Å; L99-F103 WeakPolarHBondContact O-CB 3.47Å; L99-F103 PolarHBondContact O-N 2.99Å; L99-I114 HydrophobicContact CB-CD1 3.73Å; L99-I114 HydrophobicContact CB-CG1 3.94Å; L99-I114 HydrophobicContact CB-CG2 4.47Å; L99-I114 HydrophobicContact CD1-CG1 4.42Å; L99-I114 HydrophobicContact CD2-CD1 4.09Å; L99-I114 HydrophobicContact CD2-CG1 3.88Å; L99-I114 HydrophobicContact CG-CD1 4.44Å; L99-I114 HydrophobicContact CG-CG1 4.27Å; L99-I114 WeakPolarHBondContact O-CD1 3.44Å; L99-Y115 HydrophobicContact CB-CE1 4.29Å; L99-Y115 HydrophobicContact CD1-CD1 3.89Å; L99-Y115 HydrophobicContact CD1-CE1 3.97Å; L99-T120 HydrophobicContact CD2-CG2 4.22Å; L99-F122 HydrophobicContact CD2-CD2 3.83Å; L99-F122 HydrophobicContact CG-CD2 4.41Å
100	E	88.3	Confident	85.8	Confident	104 Å²	104	65.5 Å²	65.5	49%	0.486	34%	0.339	S	S	.	.	H	α-helix	trans	-59.3	-35.7	177	-69.5	-179	158.9	0	0	113.2	V96 G97 F103 H104 Y115	V96-E100 HydrophobicContact CG1-CG 4.45Å; V96-E100 WeakPolarHBondContact O-CG 3.43Å; V96-E100 PolarHBondContact O-N 2.93Å; G97-E100 PolarHBondContact O-N 3.19Å; E100-F103 WeakPolarHBondContact O-CB 3.24Å; E100-F103 PolarHBondContact O-N 2.89Å; E100-H104 PolarHBondContact O-ND1 2.65Å; E100-Y115 VanDerWaalsContact CG-OH 3.24Å; E100-Y115 WeakPolarHBondContact CG-OH 3.47Å
101	E	87.6	Confident	84.9	Confident	44 Å²	44	70 Å²	70	21%	0.206	36%	0.361	C	S	.	.	H	α-helix	trans	-64.8	-38.5	173.2	-73.1	-160.3	123.7	0	0	112.9	K30 Y32 L38 L48 G97 F98 L99	K30-E101 IonicContact NZ-OE1 2.78Å; K30-E101 PolarHBondContact NZ-OE1 2.85Å; Y32-E101 VanDerWaalsContact CZ-OE2 3.27Å; Y32-E101 PolarHBondContact OH-OE1 3.29Å; Y32-E101 PolarHBondContact OH-OE2 2.98Å; L38-E101 WeakPolarHBondContact CD1-OE2 3.37Å; L38-E101 HydrophobicContact CD2-CG 4.36Å; L48-E101 HydrophobicContact CD2-CB 3.87Å; L48-E101 WeakPolarHBondContact CD2-OE2 3.48Å; G97-E101 WeakPolarHBondContact O-CG 3.25Å; G97-E101 PolarHBondContact O-N 2.93Å; G97-E101 VanDerWaalsContact O-N 3.1Å; F98-E101 PolarHBondContact O-N 2.59Å; L99-E101 VanDerWaalsContact C-N 3.26Å; L99-E101 PolarHBondContact O-N 3Å
102	V	89.4	Confident	84.2	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-76.1	-31	176.9	175.6	0	0	0	0	111.7	Y28 L48 A50 L61 V63 F98 L99 H104 E105 Y106 I114	Y28-V102 HydrophobicContact CD1-CG2 4.14Å; Y28-V102 HydrophobicContact CE1-CG2 3.93Å; L48-V102 HydrophobicContact CD1-CG2 4.01Å; L48-V102 HydrophobicContact CD2-CG2 3.79Å; L48-V102 HydrophobicContact CG-CG2 3.89Å; A50-V102 HydrophobicContact CB-CB 4.5Å; A50-V102 HydrophobicContact CB-CG1 3.53Å; A50-V102 HydrophobicContact CB-CG2 4.05Å; L61-V102 HydrophobicContact CD2-CG1 3.84Å; V63-V102 HydrophobicContact CG1-CG2 4.15Å; V63-V102 HydrophobicContact CG2-CG1 4.27Å; F98-V102 WeakPolarHBondContact O-CG2 3.4Å; F98-V102 PolarHBondContact O-N 2.94Å; L99-V102 CarbonylContact O-C 3.55Å; L99-V102 PolarHBondContact O-N 3.38Å; V102-H104 PolarHBondContact O-N 3.35Å; V102-E105 WeakPolarHBondContact O-CB 3.37Å; V102-E105 PolarHBondContact O-N 3.48Å; V102-Y106 HydrophobicContact CG1-CD2 3.45Å; V102-Y106 VanDerWaalsContact CG1-CD2 3.45Å; V102-Y106 HydrophobicContact CG1-CE2 3.71Å; V102-Y106 PolarHBondContact O-N 2.89Å; V102-I114 HydrophobicContact CB-CD1 4.19Å; V102-I114 HydrophobicContact CG1-CD1 4.34Å
103	F	88.4	Confident	83.9	Confident	83 Å²	83	70.8 Å²	70.8	36%	0.364	37%	0.367	S	S	.	.	H	α-helix	trans	-54.9	-39.8	-176.4	177.9	-100.3	0	0	0	112	L99 E100 E105 Y106 K107 F112 I114	L99-F103 WeakPolarHBondContact O-CB 3.47Å; L99-F103 PolarHBondContact O-N 2.99Å; E100-F103 WeakPolarHBondContact O-CB 3.24Å; E100-F103 PolarHBondContact O-N 2.89Å; F103-E105 PolarHBondContact O-N 2.99Å; F103-Y106 PolarHBondContact O-N 2.97Å; F103-K107 HydrophobicContact CD1-CB 4.29Å; F103-K107 HydrophobicContact CE1-CB 3.85Å; F103-K107 HydrophobicContact CE2-CB 4.14Å; F103-K107 HydrophobicContact CZ-CB 3.77Å; F103-K107 WeakPolarHBondContact O-CA 3.39Å; F103-K107 VanDerWaalsContact O-CB 3.27Å; F103-K107 WeakPolarHBondContact O-CB 3.41Å; F103-K107 PolarHBondContact O-N 2.71Å; F103-F112 HydrophobicContact CD2-CD1 4.44Å; F103-F112 AromaticContact CD2-CE1 3.81Å; F103-F112 HydrophobicContact CD2-CE1 3.81Å; F103-F112 HydrophobicContact CE2-CD1 4.43Å; F103-F112 HydrophobicContact CE2-CE1 4.24Å; F103-I114 HydrophobicContact CB-CD1 4.02Å; F103-I114 HydrophobicContact CD2-CB 4.4Å; F103-I114 HydrophobicContact CD2-CG2 4.1Å
104	H	82.6	Confident	83.7	Confident	130 Å²	130	63.6 Å²	63.6	60%	0.602	33%	0.333	S	S	*	.	H	α-helix	trans	-57.8	-33	179.9	-71.4	79.8	0	0	0	113.2	E100 V102	E100-H104 PolarHBondContact O-ND1 2.65Å; V102-H104 PolarHBondContact O-N 3.35Å
105	E	84.6	Confident	83.4	Confident	118 Å²	118	66.9 Å²	66.9	55%	0.551	34%	0.343	S	S	*	.	H	α-helix	trans	-77.8	-42.8	178.8	-167.3	69	-163.5	0	0	111.7	Y28 V102 F103	Y28-E105 HydrophobicContact CD2-CB 3.88Å; Y28-E105 HydrophobicContact CD2-CG 3.73Å; Y28-E105 HydrophobicContact CE2-CB 4.2Å; Y28-E105 HydrophobicContact CE2-CG 4.44Å; Y28-E105 HydrophobicContact CG-CG 4.46Å; V102-E105 WeakPolarHBondContact O-CB 3.37Å; V102-E105 PolarHBondContact O-N 3.48Å; F103-E105 PolarHBondContact O-N 2.99Å
106	Y	84.3	Confident	83.2	Confident	7 Å²	7	65.4 Å²	65.4	3%	0.027	34%	0.342	C	S	.	.	H	α-helix	trans	-102	0.5	-171.2	-65.7	-85.4	0	0	0	115.1	D27 Y28 A50 Q52 L61 V102 F103 S108 S109 F112	D27-Y106 PolarHBondContact OD1-OH 3.1Å; D27-Y106 VanDerWaalsContact OD1-OH 3.07Å; D27-Y106 WeakPolarHBondContact OD2-CE1 3.41Å; D27-Y106 PolarHBondContact OD2-OH 3.03Å; Y28-Y106 WeakPolarHBondContact CB-OH 3.48Å; Y28-Y106 HydrophobicContact CG-CE2 4.46Å; A50-Y106 HydrophobicContact CB-CE2 3.76Å; A50-Y106 PolarHBondContact O-OH 2.86Å; Q52-Y106 HydrophobicContact CB-CD1 4.24Å; Q52-Y106 HydrophobicContact CB-CE1 3.85Å; L61-Y106 HydrophobicContact CD1-CD1 3.93Å; L61-Y106 HydrophobicContact CD1-CD2 3.87Å; L61-Y106 HydrophobicContact CD1-CE1 3.92Å; L61-Y106 HydrophobicContact CD1-CE2 3.84Å; L61-Y106 HydrophobicContact CD1-CG 3.89Å; L61-Y106 HydrophobicContact CD2-CD2 4.42Å; V102-Y106 HydrophobicContact CG1-CD2 3.45Å; V102-Y106 VanDerWaalsContact CG1-CD2 3.45Å; V102-Y106 HydrophobicContact CG1-CE2 3.71Å; V102-Y106 PolarHBondContact O-N 2.89Å; F103-Y106 PolarHBondContact O-N 2.97Å; Y106-S108 PolarHBondContact O-N 3.18Å; Y106-S109 WeakPolarHBondContact O-CB 3.48Å; Y106-S109 PolarHBondContact O-N 3.25Å; Y106-S109 PolarHBondContact O-OG 2.95Å; Y106-F112 WeakPolarHBondContact O-CD1 3.49Å
107	K	81.2	Confident	82.9	Confident	132 Å²	132	66.5 Å²	66.5	57%	0.574	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-24.3	-176.9	63.9	178.7	-179.9	-179.8	0	115.3	F103 S109	F103-K107 HydrophobicContact CD1-CB 4.29Å; F103-K107 HydrophobicContact CE1-CB 3.85Å; F103-K107 HydrophobicContact CE2-CB 4.14Å; F103-K107 HydrophobicContact CZ-CB 3.77Å; F103-K107 WeakPolarHBondContact O-CA 3.39Å; F103-K107 VanDerWaalsContact O-CB 3.27Å; F103-K107 WeakPolarHBondContact O-CB 3.41Å; F103-K107 PolarHBondContact O-N 2.71Å; K107-S109 VanDerWaalsContact C-N 3.32Å
108	S	79.4	Confident	82.5	Confident	109 Å²	109	72.3 Å²	72.3	76%	0.762	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-6.1	178.3	52.5	0	0	0	0	113.4	Y106	Y106-S108 PolarHBondContact O-N 3.18Å
109	S	74.7	Confident	82.2	Confident	18 Å²	18	72.7 Å²	72.7	13%	0.126	37%	0.372	C	S	.	.	S	Bend	trans	-70.1	135.8	-179.5	-69.1	0	0	0	0	111.1	Q52 Y106 K107 F112	Q52-S109 PolarHBondContact NE2-OG 3.43Å; Q52-S109 PolarHBondContact OE1-OG 3.05Å; Y106-S109 WeakPolarHBondContact O-CB 3.48Å; Y106-S109 PolarHBondContact O-N 3.25Å; Y106-S109 PolarHBondContact O-OG 2.95Å; K107-S109 VanDerWaalsContact C-N 3.32Å; S109-F112 WeakPolarHBondContact O-CB 3.15Å; S109-F112 PolarHBondContact O-N 2.87Å
110	P	70.9	Confident	82.1	Confident	88 Å²	88	72.8 Å²	72.8	57%	0.571	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	144	177.7	26.5	-32.9	0	0	0	111.1	F112	P110-F112 PolarHBondContact O-N 2.81Å; P110-F112 VanDerWaalsContact O-N 3.16Å
111	N	69.2	Low	82.1	Confident	143 Å²	143	70.2 Å²	70.2	77%	0.765	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	28.6	-179.5	-57.9	-32.2	0	0	0	114	D113	N111-D113 PolarHBondContact O-N 2.89Å
112	F	72.4	Confident	82.2	Confident	34 Å²	34	69.5 Å²	69.5	15%	0.149	36%	0.362	C	S	.	.			trans	-90.5	103.1	-176.4	-177.5	-111.4	0	0	0	111.4	L61 F103 Y106 S109 P110 I114	L61-F112 HydrophobicContact CB-CE2 3.78Å; L61-F112 HydrophobicContact CD2-CE2 3.39Å; L61-F112 HydrophobicContact CD2-CZ 3.49Å; L61-F112 VanDerWaalsContact CD2-CZ 3.49Å; L61-F112 HydrophobicContact CG-CE2 4.1Å; F103-F112 HydrophobicContact CD2-CD1 4.44Å; F103-F112 AromaticContact CD2-CE1 3.81Å; F103-F112 HydrophobicContact CD2-CE1 3.81Å; F103-F112 HydrophobicContact CE2-CD1 4.43Å; F103-F112 HydrophobicContact CE2-CE1 4.24Å; Y106-F112 WeakPolarHBondContact O-CD1 3.49Å; S109-F112 WeakPolarHBondContact O-CB 3.15Å; S109-F112 PolarHBondContact O-N 2.87Å; P110-F112 PolarHBondContact O-N 2.81Å; P110-F112 VanDerWaalsContact O-N 3.16Å; F112-I114 HydrophobicContact CE1-CB 3.96Å; F112-I114 HydrophobicContact CE1-CD1 4.41Å; F112-I114 HydrophobicContact CE1-CG1 4.45Å; F112-I114 HydrophobicContact CE2-CB 4.33Å; F112-I114 HydrophobicContact CE2-CG1 4.44Å; F112-I114 HydrophobicContact CZ-CB 3.63Å; F112-I114 HydrophobicContact CZ-CD1 3.85Å; F112-I114 HydrophobicContact CZ-CG1 3.74Å
113	D	81.3	Confident	82.2	Confident	83 Å²	83	70.7 Å²	70.7	44%	0.444	37%	0.37	S	S	.	.			trans	-109.5	117.8	159.3	-175.2	-12.9	0	0	0	108.2	N111 Y115 D116 T119 T120	N111-D113 PolarHBondContact O-N 2.89Å; D113-Y115 PolarHBondContact O-N 3.27Å; D113-Y115 PolarHBondContact OD1-N 2.82Å; D113-D116 HydrophobicContact CB-CB 3.92Å; D113-D116 PolarHBondContact OD1-N 2.96Å; D113-T119 PolarHBondContact O-OG1 3.46Å; D113-T120 PolarHBondContact O-OG1 2.78Å; D113-T120 VanDerWaalsContact O-OG1 3.09Å
114	I	83.5	Confident	82.1	Confident	2 Å²	2	67.3 Å²	67.3	1%	0.01	36%	0.356	C	S	.	.	S	Bend	trans	-74.1	-18.2	-177.9	-160.3	167.4	0	0	0	112.8	L61 L99 V102 F103 F112 T120	L61-I114 HydrophobicContact CD2-CD1 4.23Å; L61-I114 HydrophobicContact CD2-CG1 4.18Å; L99-I114 HydrophobicContact CB-CD1 3.73Å; L99-I114 HydrophobicContact CB-CG1 3.94Å; L99-I114 HydrophobicContact CB-CG2 4.47Å; L99-I114 HydrophobicContact CD1-CG1 4.42Å; L99-I114 HydrophobicContact CD2-CD1 4.09Å; L99-I114 HydrophobicContact CD2-CG1 3.88Å; L99-I114 HydrophobicContact CG-CD1 4.44Å; L99-I114 HydrophobicContact CG-CG1 4.27Å; L99-I114 WeakPolarHBondContact O-CD1 3.44Å; V102-I114 HydrophobicContact CB-CD1 4.19Å; V102-I114 HydrophobicContact CG1-CD1 4.34Å; F103-I114 HydrophobicContact CB-CD1 4.02Å; F103-I114 HydrophobicContact CD2-CB 4.4Å; F103-I114 HydrophobicContact CD2-CG2 4.1Å; F112-I114 HydrophobicContact CE1-CB 3.96Å; F112-I114 HydrophobicContact CE1-CD1 4.41Å; F112-I114 HydrophobicContact CE1-CG1 4.45Å; F112-I114 HydrophobicContact CE2-CB 4.33Å; F112-I114 HydrophobicContact CE2-CG1 4.44Å; F112-I114 HydrophobicContact CZ-CB 3.63Å; F112-I114 HydrophobicContact CZ-CD1 3.85Å; F112-I114 HydrophobicContact CZ-CG1 3.74Å; I114-T120 WeakPolarHBondContact CA-OG1 3.25Å; I114-T120 HydrophobicContact CG1-CG2 4.29Å; I114-T120 VanDerWaalsContact O-CB 3.32Å; I114-T120 WeakPolarHBondContact O-CB 3.46Å; I114-T120 WeakPolarHBondContact O-CG2 3.02Å; I114-T120 PolarHBondContact O-OG1 3.12Å
115	Y	83.9	Confident	82.2	Confident	114 Å²	114	61.6 Å²	61.6	45%	0.447	33%	0.33	S	S	.	.	S	Bend	trans	-97.6	-13.3	-179.6	-60.9	-70.3	0	0	0	113	V96 L99 E100 D113 S117	V96-Y115 HydrophobicContact CG1-CE1 4.17Å; V96-Y115 HydrophobicContact CG2-CE1 4.44Å; L99-Y115 HydrophobicContact CB-CE1 4.29Å; L99-Y115 HydrophobicContact CD1-CD1 3.89Å; L99-Y115 HydrophobicContact CD1-CE1 3.97Å; E100-Y115 VanDerWaalsContact CG-OH 3.24Å; E100-Y115 WeakPolarHBondContact CG-OH 3.47Å; D113-Y115 PolarHBondContact O-N 3.27Å; D113-Y115 PolarHBondContact OD1-N 2.82Å; Y115-S117 PolarHBondContact O-N 3.43Å
116	D	86.1	Confident	82.1	Confident	54 Å²	54	56.7 Å²	56.7	29%	0.289	31%	0.307	S	S	.	.			trans	-74.7	120.4	173.3	178.3	9	0	0	0	110.9	D113 K118 T119 T120	D113-D116 HydrophobicContact CB-CB 3.92Å; D113-D116 PolarHBondContact OD1-N 2.96Å; D116-K118 PolarHBondContact O-N 3.27Å; D116-K118 WeakPolarHBondContact OD1-CB 3.14Å; D116-K118 PolarHBondContact OD1-N 2.83Å; D116-T119 WeakPolarHBondContact CB-OG1 3.15Å; D116-T119 PolarHBondContact O-N 3Å; D116-T119 PolarHBondContact O-OG1 3.47Å; D116-T120 WeakPolarHBondContact O-CA 3.32Å; D116-T120 WeakPolarHBondContact O-CB 3.4Å; D116-T120 PolarHBondContact O-N 3.13Å
117	S	82.3	Confident	82	Confident	99 Å²	99	56.4 Å²	56.4	69%	0.692	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.1	176.7	64	0	0	0	0	114.5	Y115	Y115-S117 PolarHBondContact O-N 3.43Å
118	K	82.2	Confident	81.9	Confident	153 Å²	153	50.2 Å²	50.2	67%	0.665	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-35.1	176.4	-65.9	-179.5	179.1	176.9	0	111.8	K60 D116	K60-K118 VanDerWaalsContact CE-O 3.28Å; K60-K118 WeakPolarHBondContact CE-O 3.44Å; D116-K118 PolarHBondContact O-N 3.27Å; D116-K118 WeakPolarHBondContact OD1-CB 3.14Å; D116-K118 PolarHBondContact OD1-N 2.83Å
119	T	84.2	Confident	81.7	Confident	11 Å²	11	46.5 Å²	46.5	7%	0.067	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-23.4	-179.8	54	0	0	0	0	111.8	V58 K60 L61 D113 D116	V58-T119 HydrophobicContact CG1-CG2 3.86Å; K60-T119 CarbonylContact C-O 3.43Å; K60-T119 WeakPolarHBondContact CA-O 3.29Å; L61-T119 PolarHBondContact N-O 2.78Å; D113-T119 PolarHBondContact O-OG1 3.46Å; D116-T119 WeakPolarHBondContact CB-OG1 3.15Å; D116-T119 PolarHBondContact O-N 3Å; D116-T119 PolarHBondContact O-OG1 3.47Å
120	T	87.2	Confident	81.5	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.018	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	119.4	-174.5	-56.9	0	0	0	0	112.8	L61 V63 L99 D113 I114 D116	L61-T120 HydrophobicContact CB-CG2 4.43Å; L61-T120 HydrophobicContact CD2-CG2 4.39Å; L61-T120 CarbonylContact O-C 3.52Å; L61-T120 WeakPolarHBondContact O-CA 3.16Å; V63-T120 HydrophobicContact CG2-CG2 4.28Å; L99-T120 HydrophobicContact CD2-CG2 4.22Å; D113-T120 PolarHBondContact O-OG1 2.78Å; D113-T120 VanDerWaalsContact O-OG1 3.09Å; I114-T120 WeakPolarHBondContact CA-OG1 3.25Å; I114-T120 HydrophobicContact CG1-CG2 4.29Å; I114-T120 VanDerWaalsContact O-CB 3.32Å; I114-T120 WeakPolarHBondContact O-CB 3.46Å; I114-T120 WeakPolarHBondContact O-CG2 3.02Å; I114-T120 PolarHBondContact O-OG1 3.12Å; D116-T120 WeakPolarHBondContact O-CA 3.32Å; D116-T120 WeakPolarHBondContact O-CB 3.4Å; D116-T120 PolarHBondContact O-N 3.13Å
121	S	88.7	Confident	81.1	Confident	50 Å²	50	49.1 Å²	49.1	35%	0.35	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116	170.4	175.1	0	0	0	0	109.5	L61 K62 V63	L61-S121 PolarHBondContact O-N 3.18Å; K62-S121 CarbonylContact C-O 3.58Å; K62-S121 WeakPolarHBondContact CA-O 3.49Å; V63-S121 PolarHBondContact N-O 3.41Å
122	F	89.7	Confident	80.7	Confident	28 Å²	28	46.8 Å²	46.8	12%	0.123	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	141.1	171.7	-176	-92.4	0	0	0	110.4	V63 V65 R95 F98 L99 V124	V63-F122 HydrophobicContact CB-CD2 3.94Å; V63-F122 HydrophobicContact CG1-CD2 3.74Å; V63-F122 HydrophobicContact CG1-CE2 3.99Å; V63-F122 CarbonylContact O-C 3.52Å; V63-F122 WeakPolarHBondContact O-CA 3.23Å; V65-F122 HydrophobicContact CG2-CE2 3.79Å; V65-F122 HydrophobicContact CG2-CZ 3.64Å; R95-F122 HydrophobicContact CB-CD1 4.27Å; R95-F122 HydrophobicContact CB-CE1 3.93Å; R95-F122 HydrophobicContact CB-CE2 4.49Å; R95-F122 HydrophobicContact CB-CZ 4.05Å; R95-F122 HydrophobicContact CG-CB 4.43Å; R95-F122 HydrophobicContact CG-CD1 3.8Å; R95-F122 HydrophobicContact CG-CD2 3.94Å; R95-F122 HydrophobicContact CG-CE1 3.92Å; R95-F122 HydrophobicContact CG-CE2 4.06Å; R95-F122 HydrophobicContact CG-CG 3.8Å; R95-F122 HydrophobicContact CG-CZ 4.05Å; F98-F122 HydrophobicContact CB-CE2 3.94Å; F98-F122 HydrophobicContact CB-CZ 4.42Å; F98-F122 HydrophobicContact CD2-CE2 4.43Å; F98-F122 HydrophobicContact CD2-CZ 4.08Å; F98-F122 HydrophobicContact CG-CE2 4.49Å; L99-F122 HydrophobicContact CD2-CD2 3.83Å; L99-F122 HydrophobicContact CG-CD2 4.41Å; F122-V124 HydrophobicContact CE1-CG2 3.69Å; F122-V124 HydrophobicContact CZ-CG2 4.22Å
123	S	88.5	Confident	79.9	Confident	25 Å²	25	45.3 Å²	45.3	18%	0.175	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	143.5	174.7	58.4	0	0	0	0	111.4	V63 A64 V65 K125	V63-S123 PolarHBondContact O-N 3.39Å; A64-S123 CarbonylContact C-O 3.58Å; A64-S123 VanDerWaalsContact CA-O 3.3Å; A64-S123 WeakPolarHBondContact CA-O 3.22Å; V65-S123 PolarHBondContact N-O 3.14Å; S123-K125 WeakPolarHBondContact OG-CE 3.43Å
124	V	87.7	Confident	79	Confident	12 Å²	12	46 Å²	46	7%	0.073	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	135.6	167.9	-177.3	0	0	0	0	108.6	V65 L67 I88 V91 E92 F122	V65-V124 HydrophobicContact CB-CG2 4.44Å; V65-V124 CarbonylContact O-C 3.48Å; V65-V124 WeakPolarHBondContact O-CA 3.05Å; L67-V124 HydrophobicContact CD1-CG1 3.94Å; L67-V124 HydrophobicContact CG-CG1 4.33Å; I88-V124 HydrophobicContact CG1-CG1 4.36Å; I88-V124 HydrophobicContact CG2-CB 4.19Å; I88-V124 HydrophobicContact CG2-CG1 4.12Å; V91-V124 HydrophobicContact CB-CG1 4.13Å; V91-V124 HydrophobicContact CB-CG2 4.18Å; V91-V124 HydrophobicContact CG1-CB 4.43Å; V91-V124 HydrophobicContact CG1-CG1 3.89Å; V91-V124 HydrophobicContact CG1-CG2 3.6Å; E92-V124 HydrophobicContact CG-CB 4.13Å; E92-V124 HydrophobicContact CG-CG2 3.44Å; E92-V124 VanDerWaalsContact CG-CG2 3.44Å; F122-V124 HydrophobicContact CE1-CG2 3.69Å; F122-V124 HydrophobicContact CZ-CG2 4.22Å
125	K	85.1	Confident	78.1	Confident	11 Å²	11	47 Å²	47	5%	0.048	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	151.1	-176.1	-60.6	-175	174	-132.7	0	109.6	V65 V66 L67 S123 S142 L144	V65-K125 PolarHBondContact O-N 3.25Å; V66-K125 CarbonylContact C-O 3.59Å; V66-K125 VanDerWaalsContact CA-O 3.31Å; V66-K125 WeakPolarHBondContact CA-O 3.36Å; L67-K125 PolarHBondContact N-O 3.42Å; S123-K125 WeakPolarHBondContact OG-CE 3.43Å; K125-S142 PolarHBondContact NZ-O 3.06Å; K125-L144 HydrophobicContact CB-CD1 4.44Å; K125-L144 HydrophobicContact CD-CB 4.26Å; K125-L144 HydrophobicContact CD-CD1 3.29Å; K125-L144 HydrophobicContact CD-CG 3.7Å; K125-L144 HydrophobicContact CG-CD1 4.43Å; K125-L144 VanDerWaalsContact NZ-N 3.13Å
126	L	82.3	Confident	77.1	Confident	15 Å²	15	46.2 Å²	46.2	8%	0.079	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	132.6	170.5	-61.5	168.4	0	0	0	108.7	L67 I69 L84 I88 L137 I138	L67-L126 HydrophobicContact CB-CD2 3.93Å; L67-L126 HydrophobicContact CD1-CD2 4.22Å; I69-L126 HydrophobicContact CD1-CD2 4.01Å; L84-L126 HydrophobicContact CD1-CD1 4Å; I88-L126 HydrophobicContact CD1-CD1 4.07Å; I88-L126 HydrophobicContact CD1-CD2 4.25Å; I88-L126 HydrophobicContact CD1-CG 4.1Å; I88-L126 HydrophobicContact CG1-CD2 4.3Å; L126-L137 CarbonylContact O-C 3.55Å; L126-L137 WeakPolarHBondContact O-CA 3.27Å; L126-I138 HydrophobicContact CB-CB 4.4Å; L126-I138 WeakPolarHBondContact CB-O 3.35Å; L126-I138 PolarHBondContact O-N 3.14Å
127	G	81.2	Confident	75.8	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	137.5	167.7	0	0	0	0	0	108.8	L67 M68 I69 M136	L67-G127 PolarHBondContact O-N 3.36Å; M68-G127 CarbonylContact C-O 3.52Å; M68-G127 WeakPolarHBondContact CA-O 3.25Å; I69-G127 PolarHBondContact N-O 2.91Å; G127-M136 CarbonylContact C-O 3.58Å; G127-M136 WeakPolarHBondContact CA-O 3.44Å
128	C	79.2	Confident	74.7	Confident	2 Å²	2	44 Å²	44	1%	0.014	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	144.6	165.7	62.1	0	0	0	0	110.3	I69 L71 F135 M136 I138	I69-C128 CarbonylContact O-C 3.56Å; I69-C128 WeakPolarHBondContact O-CA 3.45Å; L71-C128 HydrophobicContact CD1-CB 4.07Å; C128-F135 CarbonylContact O-C 3.55Å; C128-F135 WeakPolarHBondContact O-CA 3.28Å; C128-F135 WeakPolarHBondContact O-CB 3.31Å; C128-F135 VanDerWaalsContact O-CD2 3.25Å; C128-F135 WeakPolarHBondContact O-CD2 3.48Å; C128-M136 PolarHBondContact N-O 3.49Å; C128-M136 PolarHBondContact O-N 3.44Å; C128-M136 VanDerWaalsContact SG-CB 3.59Å; C128-M136 PolarHBondContact SG-O 3.09Å; C128-M136 VanDerWaalsContact SG-O 3.33Å; C128-I138 HydrophobicContact CB-CD1 3.74Å; C128-I138 HydrophobicContact CB-CG1 4.3Å; C128-I138 WeakPolarHBondContact SG-CD1 3.31Å
129	Y	76.1	Confident	73.1	Confident	30 Å²	30	40.4 Å²	40.4	12%	0.118	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	142.4	174.1	65.1	-83.5	0	0	0	110.7	M68 I69 P70 L71 M134	M68-Y129 HydrophobicContact CB-CD1 4.04Å; M68-Y129 HydrophobicContact CB-CE1 4.01Å; M68-Y129 HydrophobicContact CE-CD1 3.72Å; M68-Y129 HydrophobicContact CE-CG 4.27Å; I69-Y129 WeakPolarHBondContact O-CD1 3.45Å; I69-Y129 PolarHBondContact O-N 3.39Å; P70-Y129 HydrophobicContact CG-CE1 4.26Å; L71-Y129 PolarHBondContact N-O 3.24Å; Y129-M134 CarbonylContact C-O 3.5Å; Y129-M134 VanDerWaalsContact CA-O 3.25Å; Y129-M134 WeakPolarHBondContact CA-O 3.46Å
130	E	70	Confident	70.9	Confident	75 Å²	75	44.2 Å²	44.2	35%	0.35	24%	0.244	S	C	.	.			trans	-91.5	162.1	170.5	-76.2	-166.9	-145.8	0	0	110.7	C13 L71 D132 G133 M134	C13-E130 PolarHBondContact SG-O 3.22Å; L71-E130 HydrophobicContact CB-CG 3.78Å; L71-E130 VanDerWaalsContact CD2-CD 3.43Å; L71-E130 HydrophobicContact CD2-CG 3.27Å; L71-E130 WeakPolarHBondContact CD2-OE1 3.48Å; L71-E130 HydrophobicContact CG-CG 4.13Å; E130-D132 WeakPolarHBondContact CB-OD1 3.39Å; E130-D132 PolarHBondContact O-N 3.47Å; E130-G133 PolarHBondContact O-N 2.88Å; E130-G133 VanDerWaalsContact O-N 3.14Å; E130-M134 HydrophobicContact CB-CB 4.15Å; E130-M134 PolarHBondContact N-O 2.97Å
131	N	63	Low	68.5	Low	86 Å²	86	49 Å²	49	46%	0.46	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.2	175.1	-74	-15.9	0	0	0	112.1	L9 G133	L9-N131 WeakPolarHBondContact CD1-O 3.33Å; L9-N131 HydrophobicContact CD2-CB 3.86Å; L9-N131 WeakPolarHBondContact CG-O 3.34Å; N131-G133 PolarHBondContact O-N 3.04Å
132	D	59.7	Low	65.9	Low	95 Å²	95	51 Å²	51	51%	0.508	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	3.1	178.8	70.6	-9.8	0	0	0	113.6	F12 E130 M134	F12-D132 WeakPolarHBondContact CE1-O 3.48Å; E130-D132 WeakPolarHBondContact CB-OD1 3.39Å; E130-D132 PolarHBondContact O-N 3.47Å; D132-M134 VanDerWaalsContact C-N 3.32Å; D132-M134 WeakPolarHBondContact OD1-CB 3.34Å; D132-M134 WeakPolarHBondContact OD1-CG 3.49Å; D132-M134 PolarHBondContact OD1-N 3.38Å; D132-M134 WeakPolarHBondContact OD2-CG 3.45Å
133	G	56	Low	63.3	Low	2 Å²	2	50.7 Å²	50.7	2%	0.021	30%	0.303	C	S	.	.	S	Bend	trans	82.2	7.2	-177.3	0	0	0	0	0	114.3	S16 E130 N131	S16-G133 WeakPolarHBondContact CB-O 2.95Å; S16-G133 PolarHBondContact OG-O 3.43Å; E130-G133 PolarHBondContact O-N 2.88Å; E130-G133 VanDerWaalsContact O-N 3.14Å; N131-G133 PolarHBondContact O-N 3.04Å
134	M	61.5	Low	61.1	Low	97 Å²	97	50.2 Å²	50.2	48%	0.478	30%	0.298	S	S	.	.			trans	-68.4	145.7	163.6	-69.5	-67.4	-80.9	0	0	109.8	Y129 E130 D132	Y129-M134 CarbonylContact C-O 3.5Å; Y129-M134 VanDerWaalsContact CA-O 3.25Å; Y129-M134 WeakPolarHBondContact CA-O 3.46Å; E130-M134 HydrophobicContact CB-CB 4.15Å; E130-M134 PolarHBondContact N-O 2.97Å; D132-M134 VanDerWaalsContact C-N 3.32Å; D132-M134 WeakPolarHBondContact OD1-CB 3.34Å; D132-M134 WeakPolarHBondContact OD1-CG 3.49Å; D132-M134 PolarHBondContact OD1-N 3.38Å; D132-M134 WeakPolarHBondContact OD2-CG 3.45Å
135	F	66.5	Low	58.8	Low	25 Å²	25	53.1 Å²	53.1	11%	0.11	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	139.7	177.5	137.1	-94.5	0	0	0	108.9	I17 K20 V66 M68 C128 L137	I17-F135 HydrophobicContact CD1-CB 4.05Å; I17-F135 HydrophobicContact CD1-CG 4.29Å; I17-F135 HydrophobicContact CG1-CB 3.65Å; I17-F135 HydrophobicContact CG1-CD1 4.05Å; I17-F135 HydrophobicContact CG1-CD2 4.44Å; I17-F135 HydrophobicContact CG1-CG 3.81Å; I17-F135 HydrophobicContact CG2-CD1 4.21Å; I17-F135 HydrophobicContact CG2-CE1 4.17Å; I17-F135 HydrophobicContact CG2-CG 4.48Å; I17-F135 HydrophobicContact CG2-CZ 4.39Å; K20-F135 HydrophobicContact CD-CD1 4.42Å; V66-F135 HydrophobicContact CG1-CE2 4.34Å; M68-F135 HydrophobicContact CE-CD2 3.63Å; M68-F135 HydrophobicContact CE-CE2 4.07Å; M68-F135 HydrophobicContact SD-CD2 4.37Å; M68-F135 HydrophobicContact SD-CE2 4.21Å; C128-F135 CarbonylContact O-C 3.55Å; C128-F135 WeakPolarHBondContact O-CA 3.28Å; C128-F135 WeakPolarHBondContact O-CB 3.31Å; C128-F135 VanDerWaalsContact O-CD2 3.25Å; C128-F135 WeakPolarHBondContact O-CD2 3.48Å; F135-L137 HydrophobicContact CE1-CD1 4.46Å; F135-L137 HydrophobicContact CE1-CG 4.19Å; F135-L137 HydrophobicContact CE2-CD2 3.62Å; F135-L137 HydrophobicContact CE2-CG 3.72Å; F135-L137 HydrophobicContact CZ-CD1 3.89Å; F135-L137 HydrophobicContact CZ-CD2 3.48Å; F135-L137 VanDerWaalsContact CZ-CD2 3.48Å; F135-L137 HydrophobicContact CZ-CG 3.33Å
136	M	62.7	Low	56.5	Low	96 Å²	96	54.4 Å²	54.4	47%	0.473	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146.7	173.1	-52.2	178.6	-82	0	0	109.3	L71 G127 C128	L71-M136 HydrophobicContact CD1-CE 3.73Å; L71-M136 HydrophobicContact CD2-CE 4.05Å; G127-M136 CarbonylContact C-O 3.58Å; G127-M136 WeakPolarHBondContact CA-O 3.44Å; C128-M136 PolarHBondContact N-O 3.49Å; C128-M136 PolarHBondContact O-N 3.44Å; C128-M136 VanDerWaalsContact SG-CB 3.59Å; C128-M136 PolarHBondContact SG-O 3.09Å; C128-M136 VanDerWaalsContact SG-O 3.33Å
137	L	58.9	Low	54.2	Low	56 Å²	56	60.8 Å²	60.8	29%	0.293	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	122	170.5	-73.5	159.2	0	0	0	109.1	V66 L126 F135 N139 L144	V66-L137 HydrophobicContact CG1-CD2 3.67Å; V66-L137 HydrophobicContact CG2-CD2 4.33Å; L126-L137 CarbonylContact O-C 3.55Å; L126-L137 WeakPolarHBondContact O-CA 3.27Å; F135-L137 HydrophobicContact CE1-CD1 4.46Å; F135-L137 HydrophobicContact CE1-CG 4.19Å; F135-L137 HydrophobicContact CE2-CD2 3.62Å; F135-L137 HydrophobicContact CE2-CG 3.72Å; F135-L137 HydrophobicContact CZ-CD1 3.89Å; F135-L137 HydrophobicContact CZ-CD2 3.48Å; F135-L137 VanDerWaalsContact CZ-CD2 3.48Å; F135-L137 HydrophobicContact CZ-CG 3.33Å; L137-N139 PolarHBondContact O-N 3.45Å; L137-L144 HydrophobicContact CD1-CB 3.41Å; L137-L144 VanDerWaalsContact CD1-CB 3.41Å; L137-L144 HydrophobicContact CD1-CD1 3.44Å; L137-L144 VanDerWaalsContact CD1-CD1 3.44Å; L137-L144 HydrophobicContact CD1-CG 3.96Å; L137-L144 HydrophobicContact CD2-CD1 3.5Å; L137-L144 HydrophobicContact CG-CD1 4.1Å
138	I	58.1	Low	51.7	Low	52 Å²	52	68.5 Å²	68.5	27%	0.267	40%	0.403	S	S	.	.			trans	-102.9	66	178.5	-50.2	-176.2	0	0	0	108.8	F74 L126 C128	F74-I138 HydrophobicContact CD1-CD1 3.8Å; F74-I138 HydrophobicContact CD2-CD1 4.01Å; F74-I138 HydrophobicContact CE1-CD1 3.66Å; F74-I138 HydrophobicContact CE2-CD1 3.88Å; F74-I138 HydrophobicContact CE2-CG2 4.35Å; F74-I138 HydrophobicContact CG-CD1 3.98Å; F74-I138 HydrophobicContact CZ-CD1 3.71Å; F74-I138 HydrophobicContact CZ-CG2 3.9Å; L126-I138 HydrophobicContact CB-CB 4.4Å; L126-I138 WeakPolarHBondContact CB-O 3.35Å; L126-I138 PolarHBondContact O-N 3.14Å; C128-I138 HydrophobicContact CB-CD1 3.74Å; C128-I138 HydrophobicContact CB-CG1 4.3Å; C128-I138 WeakPolarHBondContact SG-CD1 3.31Å
139	N	48.8	Very low	49.4	Very low	77 Å²	77	77 Å²	77	41%	0.412	46%	0.463	S	S	.	.			trans	172.5	99.8	163.2	-126.7	-13.6	0	0	0	105.5	L137	L137-N139 PolarHBondContact O-N 3.45Å
140	A	38.8	Very low	48.1	Very low	91 Å²	91	79.4 Å²	79.4	75%	0.752	48%	0.481	S	S	*	.			cis	52.3	64.7	45.1	0	0	0	0	0	112.4
141	A	36.9	Very low	47	Very low	102 Å²	102	79.6 Å²	79.6	84%	0.843	49%	0.488	S	S	*	.	S	Bend		-160.3	0.5	95.6	0	0	0	0	0	116.3
142	S	33.5	Very low	46.1	Very low	94 Å²	94	79.3 Å²	79.3	66%	0.657	49%	0.489	S	S	*	.	S	Bend	trans	-161.5	103.5	174.4	50.9	0	0	0	0	114	K62 K125	K62-S142 PolarHBondContact NZ-O 2.89Å; K125-S142 PolarHBondContact NZ-O 3.06Å
143	G	35.8	Very low	45.3	Very low	21 Å²	21	78.4 Å²	78.4	22%	0.216	49%	0.488	C	S	.	.	S	Bend	trans	76.6	50.3	148.1	0	0	0	0	0	118.6	K62	K62-G143 WeakPolarHBondContact CE-O 3.27Å; K62-G143 VanDerWaalsContact NZ-C 3.32Å; K62-G143 VanDerWaalsContact NZ-CA 3.31Å; K62-G143 PolarHBondContact NZ-O 2.87Å
144	L	41.9	Very low	44.6	Very low	14 Å²	14	83.1 Å²	83.1	7%	0.073	52%	0.517	C	S	.	.	S	Bend	trans	-95	-10.1	137.8	-98.9	172.2	0	0	0	111.8	L21 W26 V66 K125 L137 S146	L21-L144 HydrophobicContact CD2-CD2 3.93Å; W26-L144 HydrophobicContact CD2-CD2 4.23Å; W26-L144 HydrophobicContact CH2-CD2 4.1Å; W26-L144 HydrophobicContact CZ2-CD2 3.14Å; W26-L144 HydrophobicContact CZ2-CG 3.96Å; V66-L144 HydrophobicContact CG2-CD1 3.84Å; K125-L144 HydrophobicContact CB-CD1 4.44Å; K125-L144 HydrophobicContact CD-CB 4.26Å; K125-L144 HydrophobicContact CD-CD1 3.29Å; K125-L144 HydrophobicContact CD-CG 3.7Å; K125-L144 HydrophobicContact CG-CD1 4.43Å; K125-L144 VanDerWaalsContact NZ-N 3.13Å; L137-L144 HydrophobicContact CD1-CB 3.41Å; L137-L144 VanDerWaalsContact CD1-CB 3.41Å; L137-L144 HydrophobicContact CD1-CD1 3.44Å; L137-L144 VanDerWaalsContact CD1-CD1 3.44Å; L137-L144 HydrophobicContact CD1-CG 3.96Å; L137-L144 HydrophobicContact CD2-CD1 3.5Å; L137-L144 HydrophobicContact CG-CD1 4.1Å; L144-S146 PolarHBondContact O-N 3.34Å; L144-S146 VanDerWaalsContact O-N 3.12Å
145	S	38	Very low	43.5	Very low	74 Å²	74	82.2 Å²	82.2	52%	0.517	52%	0.52	S	S	.	.	S	Bend	trans	-60.5	117.3	157.5	63.5	0	0	0	0	106.7	D147	S145-D147 PolarHBondContact O-N 3.34Å
146	S	37.3	Very low	41.8	Very low	38 Å²	38	86.3 Å²	86.3	27%	0.266	55%	0.549	S	S	.	.			trans	-47.2	131.1	137.6	47.1	0	0	0	0	105.3	L144 L148	L144-S146 PolarHBondContact O-N 3.34Å; L144-S146 VanDerWaalsContact O-N 3.12Å; S146-L148 VanDerWaalsContact C-N 3.26Å; S146-L148 PolarHBondContact O-N 3.14Å
147	D	34.4	Very low	40.2	Very low	148 Å²	148	85.5 Å²	85.5	79%	0.791	56%	0.555	S	S	*	*			trans	-47.1	106.2	163.3	-63	-52	0	0	0	106.4	S145 S149	S145-D147 PolarHBondContact O-N 3.34Å; D147-S149 PolarHBondContact O-N 3.44Å
148	L	29.5	Very low	38.7	Very low	163 Å²	163	88 Å²	88	85%	0.853	58%	0.577	S	S	*	*			trans	-70.8	82.9	165.5	-81.4	159	0	0	0	103	S146	S146-L148 VanDerWaalsContact C-N 3.26Å; S146-L148 PolarHBondContact O-N 3.14Å
149	S	30.9	Very low	36.9	Very low	182 Å²	182	91.3 Å²	91.3	100%	1.273	61%	0.605	S	S	*	*			trans	-73.8	0	150.1	61.7	0	0	0	0	108.3	D147	D147-S149 PolarHBondContact O-N 3.44Å

Retrieved 149 of 149 residues in 83.2 ms (Link to these results)

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