A0A3Q0KNT5_SCHMA Loading...

Protein N-terminal glutamine amidohydrolase

Mediates the side-chain deamidation of N-terminal glutamine residues to glutamate, an important step in N-end rule pathway of protein degradation. Conversion of the resulting N-terminal glutamine to glutamate renders the protein susceptible to arginylation, polyubiquitination and degradation as specified by the N-end rule. Does not act on substrates with internal or C-terminal glutamine and does not act on non-glutamine residues in any position.

AlphaFold DB , UniProt , Accession A0A3Q0KNT5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 203 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.8	Very low	76.9	Confident	182 Å²	182	94.5 Å²	94.5	90%	0.897	46%	0.463	S	S	*	.				0	123.6	0	-77.6	-178	-88.2	0	0	107.5	S78	M1-S78 PolarHBondContact O-OG 2.86Å
2	S	59.5	Low	78.5	Confident	100 Å²	100	92.1 Å²	92.1	70%	0.699	46%	0.458	S	S	*	.			trans	-72	156.8	176.5	55.9	0	0	0	0	110.6
3	A	65.7	Low	80	Confident	5 Å²	5	91.4 Å²	91.4	4%	0.041	45%	0.447	C	S	.	.			trans	-53.7	151.3	169.6	0	0	0	0	0	112.1	K5 W83 P94	A3-K5 PolarHBondContact O-N 3.46Å; A3-W83 HydrophobicContact CB-CB 4.1Å; A3-W83 HydrophobicContact CB-CD2 3.37Å; A3-W83 HydrophobicContact CB-CE3 3.81Å; A3-W83 HydrophobicContact CB-CG 3.5Å; A3-W83 VanDerWaalsContact CB-CG 3.5Å; A3-W83 HydrophobicContact CB-CZ2 4.23Å; A3-W83 HydrophobicContact CB-CZ3 4.39Å; A3-P94 HydrophobicContact CB-CG 3.78Å
4	M	71.6	Confident	81.3	Confident	61 Å²	61	86.4 Å²	86.4	30%	0.3	43%	0.425	S	S	.	.			trans	-65.9	104.5	170.6	-165.9	176.2	-178.1	0	0	107.7	I6 Y28 L29 F32 Y85	M4-I6 HydrophobicContact CB-CG1 4.25Å; M4-I6 HydrophobicContact CE-CG1 4.44Å; M4-I6 HydrophobicContact CG-CD1 4.26Å; M4-I6 HydrophobicContact CG-CG1 3.75Å; M4-I6 PolarHBondContact O-N 3.27Å; M4-I6 HydrophobicContact SD-CD1 4.12Å; M4-I6 HydrophobicContact SD-CG1 4.1Å; M4-Y28 HydrophobicContact CE-CE1 3.69Å; M4-Y28 HydrophobicContact SD-CE1 4.17Å; M4-L29 HydrophobicContact SD-CD2 4.37Å; M4-F32 HydrophobicContact CE-CB 3.89Å; M4-Y85 PolarHBondContact O-OH 3.47Å
5	K	75.1	Confident	82.3	Confident	194 Å²	194	84.3 Å²	84.3	84%	0.843	42%	0.42	S	S	*	.			trans	-72.2	97.7	172.4	-73.3	-173.6	176.7	-176.2	0	107.6	A3	A3-K5 PolarHBondContact O-N 3.46Å
6	I	83.4	Confident	83.2	Confident	9 Å²	9	82.3 Å²	82.3	5%	0.046	41%	0.411	C	S	.	.			trans	-97.5	129.5	177.1	-54.7	166.2	0	0	0	107.3	M4 K8 L11 L25 Y28 L29 Y85	M4-I6 HydrophobicContact CB-CG1 4.25Å; M4-I6 HydrophobicContact CE-CG1 4.44Å; M4-I6 HydrophobicContact CG-CD1 4.26Å; M4-I6 HydrophobicContact CG-CG1 3.75Å; M4-I6 PolarHBondContact O-N 3.27Å; M4-I6 HydrophobicContact SD-CD1 4.12Å; M4-I6 HydrophobicContact SD-CG1 4.1Å; I6-K8 PolarHBondContact O-N 2.81Å; I6-K8 VanDerWaalsContact O-N 3.15Å; I6-L11 HydrophobicContact CB-CD1 4.41Å; I6-L11 HydrophobicContact CG2-CD1 3.79Å; I6-L11 HydrophobicContact CG2-CD2 3.86Å; I6-L11 HydrophobicContact CG2-CG 3.76Å; I6-L25 HydrophobicContact CD1-CD1 3.98Å; I6-Y28 HydrophobicContact CD1-CD1 3.86Å; I6-Y28 HydrophobicContact CD1-CE1 3.61Å; I6-Y28 HydrophobicContact CG1-CE1 3.94Å; I6-Y28 HydrophobicContact CG2-CE1 4.2Å; I6-L29 HydrophobicContact CD1-CD2 4.45Å; I6-Y85 HydrophobicContact CD1-CE1 4Å; I6-Y85 HydrophobicContact CG1-CE1 4.5Å
7	D	84.7	Confident	84.1	Confident	81 Å²	81	77.4 Å²	77.4	43%	0.433	39%	0.387	S	S	.	.			trans	-66.5	114.7	170.4	-177.5	-5.4	0	0	0	108.6	K9 Q10	D7-K9 PolarHBondContact O-N 3.28Å; D7-K9 WeakPolarHBondContact OD1-CB 3.24Å; D7-K9 PolarHBondContact OD1-N 3.27Å; D7-Q10 HydrophobicContact CB-CG 4.08Å; D7-Q10 WeakPolarHBondContact O-CB 3.48Å; D7-Q10 PolarHBondContact O-N 2.91Å
8	K	88.2	Confident	84.9	Confident	70 Å²	70	73.6 Å²	73.6	30%	0.304	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-52.2	-28.3	179.8	-171.9	177.5	176.1	-179.1	0	112.6	I6 Q10 L11 F87 F93	I6-K8 PolarHBondContact O-N 2.81Å; I6-K8 VanDerWaalsContact O-N 3.15Å; K8-Q10 VanDerWaalsContact C-N 3.26Å; K8-Q10 PolarHBondContact O-N 2.73Å; K8-L11 PolarHBondContact O-N 3.43Å; K8-F87 WeakPolarHBondContact CE-O 3.31Å; K8-F87 HydrophobicContact CG-CD1 4.13Å; K8-F87 HydrophobicContact CG-CE1 4.34Å; K8-F87 PolarHBondContact NZ-O 3.03Å; K8-F93 HydrophobicContact CB-CD1 3.91Å; K8-F93 HydrophobicContact CB-CE1 4.14Å; K8-F93 HydrophobicContact CB-CG 4.37Å; K8-F93 HydrophobicContact CD-CB 4.47Å; K8-F93 HydrophobicContact CD-CD2 4.29Å; K8-F93 HydrophobicContact CD-CG 4.19Å; K8-F93 HydrophobicContact CG-CD1 4.29Å; K8-F93 HydrophobicContact CG-CE1 4.31Å; K8-F93 HydrophobicContact CG-CG 4.44Å; K8-F93 HydrophobicContact CG-CZ 4.48Å
9	K	87.1	Confident	85.7	Confident	189 Å²	189	69.7 Å²	69.7	82%	0.822	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-69.8	-19.4	177.8	-64.3	-179.7	179.7	179.3	0	114.1	D7 L11	D7-K9 PolarHBondContact O-N 3.28Å; D7-K9 WeakPolarHBondContact OD1-CB 3.24Å; D7-K9 PolarHBondContact OD1-N 3.27Å; K9-L11 VanDerWaalsContact C-N 3.34Å
10	Q	88.8	Confident	86.3	Confident	132 Å²	132	66.2 Å²	66.2	62%	0.617	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-86.8	-11.2	177.9	-61.8	179.2	3.4	0	0	112.4	D7 K8	D7-Q10 HydrophobicContact CB-CG 4.08Å; D7-Q10 WeakPolarHBondContact O-CB 3.48Å; D7-Q10 PolarHBondContact O-N 2.91Å; K8-Q10 VanDerWaalsContact C-N 3.26Å; K8-Q10 PolarHBondContact O-N 2.73Å
11	L	94.3	Very high	86.9	Confident	17 Å²	17	63 Å²	63	9%	0.089	32%	0.316	C	S	.	.	S	Bend	trans	-92.9	146.6	-177.6	-65.6	174.4	0	0	0	110.9	I6 K8 K9 Y13 L25 Y28 F87 F93	I6-L11 HydrophobicContact CB-CD1 4.41Å; I6-L11 HydrophobicContact CG2-CD1 3.79Å; I6-L11 HydrophobicContact CG2-CD2 3.86Å; I6-L11 HydrophobicContact CG2-CG 3.76Å; K8-L11 PolarHBondContact O-N 3.43Å; K9-L11 VanDerWaalsContact C-N 3.34Å; L11-Y13 PolarHBondContact O-N 2.9Å; L11-L25 HydrophobicContact CD1-CD1 3.92Å; L11-L25 HydrophobicContact CD2-CD1 3.99Å; L11-Y28 HydrophobicContact CD2-CD1 4.34Å; L11-Y28 HydrophobicContact CD2-CD2 4.05Å; L11-Y28 HydrophobicContact CD2-CG 3.95Å; L11-F87 HydrophobicContact CB-CE1 3.72Å; L11-F87 HydrophobicContact CB-CZ 3.89Å; L11-F87 HydrophobicContact CD1-CE1 3.9Å; L11-F87 HydrophobicContact CD1-CZ 3.74Å; L11-F87 HydrophobicContact CG-CE1 4.49Å; L11-F87 HydrophobicContact CG-CZ 4.43Å; L11-F93 HydrophobicContact CD1-CE1 3.6Å; L11-F93 HydrophobicContact CD1-CZ 3.72Å
12	T	96.4	Very high	89.3	Confident	65 Å²	65	54.4 Å²	54.4	40%	0.399	27%	0.274	S	S	.	.			trans	-66.4	127.5	171.1	-52.5	0	0	0	0	109.7	K24 Y152	T12-K24 HydrophobicContact CG2-CB 4.41Å; T12-K24 HydrophobicContact CG2-CD 4.48Å; T12-K24 HydrophobicContact CG2-CG 3.93Å; T12-Y152 HydrophobicContact CG2-CD1 4.13Å; T12-Y152 HydrophobicContact CG2-CE1 3.44Å; T12-Y152 VanDerWaalsContact CG2-CE1 3.44Å
13	Y	97.5	Very high	91.1	Very high	83 Å²	83	50.4 Å²	50.4	33%	0.325	24%	0.243	S	C	.	.			trans	-142.2	133.3	177.6	172.3	-106.4	0	0	0	110.4	L11 P15 N21 F87 D88	L11-Y13 PolarHBondContact O-N 2.9Å; Y13-P15 HydrophobicContact CE1-CG 3.75Å; Y13-N21 WeakPolarHBondContact CA-OD1 3.37Å; Y13-N21 HydrophobicContact CD2-CB 4.44Å; Y13-N21 VanDerWaalsContact CD2-ND2 3.25Å; Y13-N21 WeakPolarHBondContact CD2-ND2 3.39Å; Y13-N21 WeakPolarHBondContact CE2-ND2 3.28Å; Y13-F87 HydrophobicContact CD2-CB 3.55Å; Y13-F87 AromaticContact CD2-CD1 3.74Å; Y13-F87 HydrophobicContact CD2-CD1 3.74Å; Y13-F87 AromaticContact CD2-CG 3.82Å; Y13-F87 HydrophobicContact CD2-CG 3.82Å; Y13-F87 HydrophobicContact CE2-CB 3.58Å; Y13-F87 HydrophobicContact CE2-CG 4.36Å; Y13-F87 HydrophobicContact CG-CD1 4.19Å; Y13-D88 PolarHBondContact OH-OD1 3Å
14	T	97.8	Very high	92.7	Very high	21 Å²	21	52.2 Å²	52.2	13%	0.129	25%	0.25	C	C	.	.			trans	-133.2	121.5	170.7	-55.7	0	0	0	0	108.4	N16 Y17 N21 P150	T14-N16 PolarHBondContact O-N 2.95Å; T14-Y17 HydrophobicContact CG2-CD2 3.59Å; T14-Y17 HydrophobicContact CG2-CE2 4.14Å; T14-Y17 HydrophobicContact CG2-CG 4.34Å; T14-Y17 PolarHBondContact O-N 3.35Å; T14-N21 PolarHBondContact N-OD1 3.28Å; T14-N21 PolarHBondContact O-ND2 2.94Å; T14-N21 PolarHBondContact O-OD1 3.23Å; T14-P150 HydrophobicContact CG2-CB 4.4Å; T14-P150 HydrophobicContact CG2-CG 3.96Å
15	P	96.9	Very high	93.8	Very high	55 Å²	55	49.3 Å²	49.3	36%	0.357	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	137.6	179.2	-23.7	32	0	0	0	112.2	Y13 Y17	Y13-P15 HydrophobicContact CE1-CG 3.75Å; P15-Y17 VanDerWaalsContact C-N 3.28Å; P15-Y17 WeakPolarHBondContact O-CD2 3.35Å; P15-Y17 PolarHBondContact O-N 3.24Å
16	N	97.2	Very high	94.9	Very high	52 Å²	52	40 Å²	40	28%	0.278	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	12.6	-178.8	-34.2	-76.6	0	0	0	115.7	T14 K57 M138 A147	T14-N16 PolarHBondContact O-N 2.95Å; N16-K57 PolarHBondContact OD1-NZ 3.4Å; N16-M138 HydrophobicContact CB-CE 3.88Å; N16-A147 HydrophobicContact CB-CB 4.22Å; N16-A147 VanDerWaalsContact ND2-CB 3.31Å; N16-A147 WeakPolarHBondContact ND2-CB 3.49Å
17	Y	98.4	Very high	95.4	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.204	C	C	.	.			trans	-122.6	50.5	171.4	-64.8	-97.5	0	0	0	109.3	T14 P15 E19 E20 N21 R135 M138 A147 P148 P149 P150	T14-Y17 HydrophobicContact CG2-CD2 3.59Å; T14-Y17 HydrophobicContact CG2-CE2 4.14Å; T14-Y17 HydrophobicContact CG2-CG 4.34Å; T14-Y17 PolarHBondContact O-N 3.35Å; P15-Y17 VanDerWaalsContact C-N 3.28Å; P15-Y17 WeakPolarHBondContact O-CD2 3.35Å; P15-Y17 PolarHBondContact O-N 3.24Å; Y17-E19 VanDerWaalsContact C-N 3.25Å; Y17-E19 VanDerWaalsContact CA-OE2 3.25Å; Y17-E19 WeakPolarHBondContact CA-OE2 3.45Å; Y17-E19 PolarHBondContact O-N 2.99Å; Y17-E20 PolarHBondContact O-N 2.75Å; Y17-N21 PolarHBondContact O-N 3.34Å; Y17-N21 PolarHBondContact O-ND2 2.95Å; Y17-N21 PolarHBondContact O-OD1 3.34Å; Y17-R135 HydrophobicContact CE1-CB 4.42Å; Y17-R135 HydrophobicContact CE1-CG 4.15Å; Y17-M138 HydrophobicContact CE1-CB 4.13Å; Y17-M138 HydrophobicContact CE1-CE 4.49Å; Y17-M138 HydrophobicContact CE1-CG 3.73Å; Y17-M138 HydrophobicContact CE2-CE 3.95Å; Y17-M138 WeakPolarHBondContact OH-CB 3.46Å; Y17-A147 HydrophobicContact CE2-CB 4.42Å; Y17-A147 PolarHBondContact OH-O 2.94Å; Y17-P148 VanDerWaalsContact CE2-O 3.26Å; Y17-P148 WeakPolarHBondContact CE2-O 3.29Å; Y17-P149 WeakPolarHBondContact OH-CA 3.36Å; Y17-P150 HydrophobicContact CD1-CG 4.18Å; Y17-P150 HydrophobicContact CD2-CG 4.44Å; Y17-P150 HydrophobicContact CG-CG 4.05Å
18	C	98.5	Very high	95.9	Very high	8 Å²	8	40.5 Å²	40.5	5%	0.054	19%	0.193	C	C	.	.	H	α-helix	trans	-59.2	-35.4	-174.2	59.8	0	0	0	0	112.9	E20 N21 V22 V72	C18-E20 VanDerWaalsContact C-N 3.33Å; C18-E20 PolarHBondContact O-N 3.38Å; C18-N21 PolarHBondContact O-N 2.83Å; C18-V22 WeakPolarHBondContact O-CG2 3.21Å; C18-V22 PolarHBondContact O-N 3.41Å; C18-V72 HydrophobicContact CB-CB 4.24Å; C18-V72 PolarHBondContact SG-N 3.33Å
19	E	98.7	Very high	96.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.7	-40.2	172	74.3	-67	169.7	0	0	112.5	Y17 Y23 F42 Y70 V72 Y127 F131 H137 L166	Y17-E19 VanDerWaalsContact C-N 3.25Å; Y17-E19 VanDerWaalsContact CA-OE2 3.25Å; Y17-E19 WeakPolarHBondContact CA-OE2 3.45Å; Y17-E19 PolarHBondContact O-N 2.99Å; E19-Y23 PolarHBondContact O-N 3.39Å; E19-F42 HydrophobicContact CB-CE1 4.18Å; E19-F42 HydrophobicContact CB-CZ 3.95Å; E19-Y70 HydrophobicContact CB-CE2 4.29Å; E19-Y70 PolarHBondContact OE2-OH 2.81Å; E19-V72 HydrophobicContact CB-CG2 3.97Å; E19-Y127 WeakPolarHBondContact CB-OH 3.46Å; E19-Y127 PolarHBondContact O-OH 2.86Å; E19-F131 HydrophobicContact CB-CE2 4.35Å; E19-F131 HydrophobicContact CB-CZ 3.96Å; E19-F131 HydrophobicContact CG-CE1 4.39Å; E19-F131 HydrophobicContact CG-CE2 4.3Å; E19-F131 HydrophobicContact CG-CZ 3.58Å; E19-H137 IonicContact OE1-CE1 2.74Å; E19-H137 IonicContact OE1-NE2 3.58Å; E19-L166 HydrophobicContact CB-CD1 4.48Å; E19-L166 HydrophobicContact CG-CD1 4.36Å
20	E	98.7	Very high	96.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-80.2	-35.5	176.4	-60.4	-162.3	-140.1	0	0	111.8	Y17 C18 V22 Y23 K24 R135 Y152 I155	Y17-E20 PolarHBondContact O-N 2.75Å; C18-E20 VanDerWaalsContact C-N 3.33Å; C18-E20 PolarHBondContact O-N 3.38Å; E20-V22 VanDerWaalsContact C-N 3.31Å; E20-V22 PolarHBondContact O-N 3.47Å; E20-Y23 WeakPolarHBondContact O-CB 3.26Å; E20-Y23 PolarHBondContact O-N 3.13Å; E20-Y23 VanDerWaalsContact O-N 3.16Å; E20-K24 WeakPolarHBondContact O-CG 3.47Å; E20-K24 PolarHBondContact O-N 2.63Å; E20-R135 WeakPolarHBondContact OE1-CD 3.44Å; E20-R135 VanDerWaalsContact OE1-CG 3.27Å; E20-R135 WeakPolarHBondContact OE1-CG 3.25Å; E20-R135 IonicContact OE1-CZ 3.67Å; E20-R135 IonicContact OE1-NE 2.76Å; E20-R135 PolarHBondContact OE1-NE 2.93Å; E20-R135 IonicContact OE1-NH2 3.71Å; E20-R135 IonicContact OE2-CZ 3.48Å; E20-R135 IonicContact OE2-NE 3.36Å; E20-R135 PolarHBondContact OE2-NE 2.8Å; E20-R135 IonicContact OE2-NH2 2.76Å; E20-R135 PolarHBondContact OE2-NH2 3Å; E20-Y152 WeakPolarHBondContact CB-OH 3.45Å; E20-Y152 WeakPolarHBondContact OE2-CE2 3.25Å; E20-Y152 PolarHBondContact OE2-OH 3.38Å; E20-I155 HydrophobicContact CB-CD1 3.75Å; E20-I155 HydrophobicContact CG-CD1 3.71Å
21	N	98.4	Very high	96.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.1	-42.6	175.6	-62.9	-30	0	0	0	111.3	Y13 T14 Y17 C18 K24 L25 F87	Y13-N21 WeakPolarHBondContact CA-OD1 3.37Å; Y13-N21 HydrophobicContact CD2-CB 4.44Å; Y13-N21 VanDerWaalsContact CD2-ND2 3.25Å; Y13-N21 WeakPolarHBondContact CD2-ND2 3.39Å; Y13-N21 WeakPolarHBondContact CE2-ND2 3.28Å; T14-N21 PolarHBondContact N-OD1 3.28Å; T14-N21 PolarHBondContact O-ND2 2.94Å; T14-N21 PolarHBondContact O-OD1 3.23Å; Y17-N21 PolarHBondContact O-N 3.34Å; Y17-N21 PolarHBondContact O-ND2 2.95Å; Y17-N21 PolarHBondContact O-OD1 3.34Å; C18-N21 PolarHBondContact O-N 2.83Å; N21-K24 PolarHBondContact O-N 2.71Å; N21-L25 PolarHBondContact O-N 2.84Å; N21-F87 HydrophobicContact CB-CD2 3.88Å; N21-F87 HydrophobicContact CB-CE2 4.04Å; N21-F87 HydrophobicContact CB-CG 4.39Å
22	V	98.4	Very high	96	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-70.2	-37.2	175.1	173.2	0	0	0	0	111.6	C18 E20 K24 L25 L26 V40 V72 L74	C18-V22 WeakPolarHBondContact O-CG2 3.21Å; C18-V22 PolarHBondContact O-N 3.41Å; E20-V22 VanDerWaalsContact C-N 3.31Å; E20-V22 PolarHBondContact O-N 3.47Å; V22-K24 VanDerWaalsContact C-N 3.34Å; V22-K24 PolarHBondContact O-N 2.79Å; V22-L25 PolarHBondContact O-N 3.23Å; V22-L26 PolarHBondContact O-N 3.07Å; V22-V40 HydrophobicContact CG1-CB 4.32Å; V22-V40 HydrophobicContact CG1-CG1 3.87Å; V22-V40 HydrophobicContact CG1-CG2 3.72Å; V22-V72 HydrophobicContact CB-CG1 4.14Å; V22-V72 HydrophobicContact CG1-CG1 4.43Å; V22-V72 HydrophobicContact CG2-CB 4.47Å; V22-V72 HydrophobicContact CG2-CG1 4.01Å; V22-L74 HydrophobicContact CG1-CB 4.06Å; V22-L74 HydrophobicContact CG1-CD1 4.24Å
23	Y	98.4	Very high	95.5	Very high	16 Å²	16	38 Å²	38	6%	0.063	18%	0.183	C	C	.	.	H	α-helix	trans	-58	-47.2	172.5	-171.7	-80.8	0	0	0	111.3	E19 E20 L25 L26 E27 Y127 L128 F131 I155	E19-Y23 PolarHBondContact O-N 3.39Å; E20-Y23 WeakPolarHBondContact O-CB 3.26Å; E20-Y23 PolarHBondContact O-N 3.13Å; E20-Y23 VanDerWaalsContact O-N 3.16Å; Y23-L25 VanDerWaalsContact C-N 3.31Å; Y23-L25 PolarHBondContact O-N 2.84Å; Y23-L26 WeakPolarHBondContact O-CA 3.18Å; Y23-L26 WeakPolarHBondContact O-CB 3.3Å; Y23-L26 PolarHBondContact O-N 3.3Å; Y23-E27 HydrophobicContact CD1-CG 4.01Å; Y23-E27 HydrophobicContact CE1-CG 3.76Å; Y23-E27 PolarHBondContact O-N 3.35Å; Y23-Y127 HydrophobicContact CD2-CD1 4.1Å; Y23-Y127 AromaticContact CD2-CE1 3.97Å; Y23-Y127 HydrophobicContact CD2-CE1 3.97Å; Y23-Y127 HydrophobicContact CG-CE1 4.43Å; Y23-L128 HydrophobicContact CD1-CD1 4.19Å; Y23-L128 HydrophobicContact CD2-CD1 4.24Å; Y23-L128 HydrophobicContact CE1-CD1 3.74Å; Y23-L128 HydrophobicContact CE2-CD1 3.79Å; Y23-L128 HydrophobicContact CG-CD1 4.44Å; Y23-L128 PolarHBondContact OH-O 2.88Å; Y23-F131 HydrophobicContact CD2-CB 4.27Å; Y23-F131 AromaticContact CD2-CD1 3.78Å; Y23-F131 HydrophobicContact CD2-CD1 3.78Å; Y23-F131 HydrophobicContact CD2-CG 4.43Å; Y23-F131 HydrophobicContact CE2-CB 4.41Å; Y23-F131 HydrophobicContact CE2-CD1 4.33Å; Y23-I155 HydrophobicContact CD1-CD1 3.61Å; Y23-I155 HydrophobicContact CD1-CG1 4.33Å; Y23-I155 HydrophobicContact CD1-CG2 3.98Å; Y23-I155 HydrophobicContact CD2-CD1 4.41Å; Y23-I155 HydrophobicContact CD2-CG2 3.73Å; Y23-I155 HydrophobicContact CE1-CD1 4.24Å; Y23-I155 HydrophobicContact CE1-CG1 4.5Å; Y23-I155 HydrophobicContact CE1-CG2 3.69Å; Y23-I155 HydrophobicContact CE2-CG2 3.42Å; Y23-I155 VanDerWaalsContact CE2-CG2 3.42Å; Y23-I155 HydrophobicContact CG-CD1 3.7Å; Y23-I155 HydrophobicContact CG-CG2 3.99Å
24	K	97.4	Very high	95.1	Very high	42 Å²	42	37.4 Å²	37.4	18%	0.183	19%	0.185	C	C	.	.	H	α-helix	trans	-64.1	-34.8	177.7	-68.1	-63.6	176.2	-169.9	0	112.9	T12 E20 N21 V22 L26 E27 Y28 Y152	T12-K24 HydrophobicContact CG2-CB 4.41Å; T12-K24 HydrophobicContact CG2-CD 4.48Å; T12-K24 HydrophobicContact CG2-CG 3.93Å; E20-K24 WeakPolarHBondContact O-CG 3.47Å; E20-K24 PolarHBondContact O-N 2.63Å; N21-K24 PolarHBondContact O-N 2.71Å; V22-K24 VanDerWaalsContact C-N 3.34Å; V22-K24 PolarHBondContact O-N 2.79Å; K24-L26 VanDerWaalsContact C-N 3.34Å; K24-E27 WeakPolarHBondContact CD-OE2 3.45Å; K24-E27 WeakPolarHBondContact CE-OE2 3.49Å; K24-E27 IonicContact NZ-OE2 2.75Å; K24-E27 PolarHBondContact NZ-OE2 2.89Å; K24-E27 PolarHBondContact O-N 3.34Å; K24-Y28 PolarHBondContact O-N 2.91Å; K24-Y28 VanDerWaalsContact O-N 3.08Å; K24-Y152 HydrophobicContact CD-CE2 4.47Å; K24-Y152 VanDerWaalsContact CE-CZ 3.47Å; K24-Y152 HydrophobicContact CG-CE1 4.36Å
25	L	96.4	Very high	94.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.6	-37.3	171	178.5	57.9	0	0	0	112.1	I6 L11 N21 V22 Y23 Y28 L29 L74 Y85 F87	I6-L25 HydrophobicContact CD1-CD1 3.98Å; L11-L25 HydrophobicContact CD1-CD1 3.92Å; L11-L25 HydrophobicContact CD2-CD1 3.99Å; N21-L25 PolarHBondContact O-N 2.84Å; V22-L25 PolarHBondContact O-N 3.23Å; Y23-L25 VanDerWaalsContact C-N 3.31Å; Y23-L25 PolarHBondContact O-N 2.84Å; L25-Y28 WeakPolarHBondContact O-CB 3.13Å; L25-Y28 PolarHBondContact O-N 2.93Å; L25-L29 HydrophobicContact CD1-CG 4.44Å; L25-L29 HydrophobicContact CG-CD1 4.44Å; L25-L29 WeakPolarHBondContact O-CG 3.28Å; L25-L29 PolarHBondContact O-N 3.02Å; L25-L74 HydrophobicContact CD2-CB 4.09Å; L25-L74 HydrophobicContact CD2-CD2 3.6Å; L25-L74 HydrophobicContact CD2-CG 4.48Å; L25-L74 HydrophobicContact CG-CD2 3.96Å; L25-Y85 VanDerWaalsContact CD2-CB 3.46Å; L25-Y85 HydrophobicContact CD2-CD1 4Å; L25-Y85 HydrophobicContact CD2-CG 3.78Å; L25-F87 HydrophobicContact CB-CE2 4.26Å; L25-F87 HydrophobicContact CB-CZ 4.41Å; L25-F87 HydrophobicContact CD2-CE2 4.24Å
26	L	96.7	Very high	94.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-68.2	-36.4	174.2	-71.1	170.5	0	0	0	112.7	V22 Y23 K24 Y28 L29 R30 L35 V40 L74 Y127 L128	V22-L26 PolarHBondContact O-N 3.07Å; Y23-L26 WeakPolarHBondContact O-CA 3.18Å; Y23-L26 WeakPolarHBondContact O-CB 3.3Å; Y23-L26 PolarHBondContact O-N 3.3Å; K24-L26 VanDerWaalsContact C-N 3.34Å; L26-Y28 VanDerWaalsContact C-N 3.29Å; L26-Y28 PolarHBondContact O-N 2.99Å; L26-L29 HydrophobicContact CD2-CD1 4.46Å; L26-L29 PolarHBondContact O-N 2.68Å; L26-R30 WeakPolarHBondContact O-CB 3.16Å; L26-R30 PolarHBondContact O-N 2.88Å; L26-L35 HydrophobicContact CB-CD1 4Å; L26-L35 HydrophobicContact CD2-CD1 3.65Å; L26-L35 HydrophobicContact CG-CD1 4.36Å; L26-V40 HydrophobicContact CD1-CG2 3.49Å; L26-V40 VanDerWaalsContact CD1-CG2 3.49Å; L26-V40 HydrophobicContact CG-CG2 4.42Å; L26-L74 HydrophobicContact CD2-CD1 3.62Å; L26-L74 HydrophobicContact CG-CD1 4.18Å; L26-Y127 HydrophobicContact CD1-CD1 3.62Å; L26-Y127 HydrophobicContact CD1-CG 4.33Å; L26-L128 HydrophobicContact CB-CD1 4.24Å
27	E	95.4	Very high	94.3	Very high	49 Å²	49	39.7 Å²	39.7	23%	0.229	19%	0.189	C	C	.	.	H	α-helix	trans	-58.5	-43.9	171	-69.9	-167.3	128.4	0	0	111	Y23 K24 R30 E31 L128	Y23-E27 HydrophobicContact CD1-CG 4.01Å; Y23-E27 HydrophobicContact CE1-CG 3.76Å; Y23-E27 PolarHBondContact O-N 3.35Å; K24-E27 WeakPolarHBondContact CD-OE2 3.45Å; K24-E27 WeakPolarHBondContact CE-OE2 3.49Å; K24-E27 IonicContact NZ-OE2 2.75Å; K24-E27 PolarHBondContact NZ-OE2 2.89Å; K24-E27 PolarHBondContact O-N 3.34Å; E27-R30 WeakPolarHBondContact O-CB 3.37Å; E27-R30 PolarHBondContact O-N 2.96Å; E27-R30 IonicContact OE1-NH2 3.9Å; E27-E31 PolarHBondContact O-N 3.31Å; E27-L128 HydrophobicContact CG-CD1 3.73Å
28	Y	93.7	Very high	94.2	Very high	51 Å²	51	39.7 Å²	39.7	20%	0.2	19%	0.189	C	C	.	.	H	α-helix	trans	-62.1	-44.9	174	-176.9	-84.9	0	0	0	112	M4 I6 L11 K24 L25 L26 R30 E31 F32	M4-Y28 HydrophobicContact CE-CE1 3.69Å; M4-Y28 HydrophobicContact SD-CE1 4.17Å; I6-Y28 HydrophobicContact CD1-CD1 3.86Å; I6-Y28 HydrophobicContact CD1-CE1 3.61Å; I6-Y28 HydrophobicContact CG1-CE1 3.94Å; I6-Y28 HydrophobicContact CG2-CE1 4.2Å; L11-Y28 HydrophobicContact CD2-CD1 4.34Å; L11-Y28 HydrophobicContact CD2-CD2 4.05Å; L11-Y28 HydrophobicContact CD2-CG 3.95Å; K24-Y28 PolarHBondContact O-N 2.91Å; K24-Y28 VanDerWaalsContact O-N 3.08Å; L25-Y28 WeakPolarHBondContact O-CB 3.13Å; L25-Y28 PolarHBondContact O-N 2.93Å; L26-Y28 VanDerWaalsContact C-N 3.29Å; L26-Y28 PolarHBondContact O-N 2.99Å; Y28-R30 VanDerWaalsContact C-N 3.31Å; Y28-R30 PolarHBondContact O-N 3.28Å; Y28-E31 PolarHBondContact O-N 3.24Å; Y28-E31 VanDerWaalsContact O-N 3.16Å; Y28-F32 HydrophobicContact CD1-CB 4.42Å; Y28-F32 HydrophobicContact CD1-CD2 4.12Å; Y28-F32 AromaticContact CD2-CD2 3.53Å; Y28-F32 HydrophobicContact CD2-CD2 3.53Å; Y28-F32 AromaticContact CD2-CE2 3.83Å; Y28-F32 HydrophobicContact CD2-CE2 3.83Å; Y28-F32 HydrophobicContact CE1-CB 3.97Å; Y28-F32 HydrophobicContact CE1-CD2 4.02Å; Y28-F32 HydrophobicContact CE1-CG 4.36Å; Y28-F32 AromaticContact CE2-CD2 3.42Å; Y28-F32 HydrophobicContact CE2-CD2 3.42Å; Y28-F32 VanDerWaalsContact CE2-CD2 3.42Å; Y28-F32 AromaticContact CE2-CE2 3.76Å; Y28-F32 HydrophobicContact CE2-CE2 3.76Å; Y28-F32 HydrophobicContact CE2-CG 4.26Å; Y28-F32 AromaticContact CG-CD2 3.89Å; Y28-F32 HydrophobicContact CG-CD2 3.89Å; Y28-F32 AromaticContact CZ-CD2 3.67Å; Y28-F32 WeakPolarHBondContact O-CD2 3.35Å; Y28-F32 PolarHBondContact O-N 3.37Å
29	L	92.3	Very high	94.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-68.3	-27.6	178.4	-71.1	176.2	0	0	0	113.4	M4 I6 L25 L26 E31 G33 L74 Y76	M4-L29 HydrophobicContact SD-CD2 4.37Å; I6-L29 HydrophobicContact CD1-CD2 4.45Å; L25-L29 HydrophobicContact CD1-CG 4.44Å; L25-L29 HydrophobicContact CG-CD1 4.44Å; L25-L29 WeakPolarHBondContact O-CG 3.28Å; L25-L29 PolarHBondContact O-N 3.02Å; L26-L29 HydrophobicContact CD2-CD1 4.46Å; L26-L29 PolarHBondContact O-N 2.68Å; L29-E31 VanDerWaalsContact C-N 3.28Å; L29-G33 CarbonylContact O-C 2.94Å; L29-G33 WeakPolarHBondContact O-CA 3.48Å; L29-G33 PolarHBondContact O-N 3.33Å; L29-L74 HydrophobicContact CD1-CD2 3.44Å; L29-L74 VanDerWaalsContact CD1-CD2 3.44Å; L29-Y76 HydrophobicContact CD1-CD2 3.98Å; L29-Y76 HydrophobicContact CD1-CE2 4.26Å; L29-Y76 HydrophobicContact CD2-CD2 4.47Å; L29-Y76 HydrophobicContact CD2-CE2 4.17Å
30	R	93	Very high	94.1	Very high	134 Å²	134	41.8 Å²	41.8	51%	0.506	20%	0.196	S	C	.	.	H	α-helix	trans	-64.4	-35.7	171.4	-179.8	-178.3	62.7	-165.7	-4.9	111.3	L26 E27 Y28 L35 L128	L26-R30 WeakPolarHBondContact O-CB 3.16Å; L26-R30 PolarHBondContact O-N 2.88Å; E27-R30 WeakPolarHBondContact O-CB 3.37Å; E27-R30 PolarHBondContact O-N 2.96Å; E27-R30 IonicContact OE1-NH2 3.9Å; Y28-R30 VanDerWaalsContact C-N 3.31Å; Y28-R30 PolarHBondContact O-N 3.28Å; R30-L35 HydrophobicContact CB-CD2 4.35Å; R30-L35 HydrophobicContact CG-CD2 4.44Å; R30-L128 HydrophobicContact CB-CD2 4.43Å
31	E	90	Very high	94.1	Very high	143 Å²	143	41.8 Å²	41.8	67%	0.668	20%	0.196	S	C	*	.	H	α-helix	trans	-86.9	-40.6	-177.9	-170.2	175.7	172.4	0	0	112.9	E27 Y28 L29	E27-E31 PolarHBondContact O-N 3.31Å; Y28-E31 PolarHBondContact O-N 3.24Å; Y28-E31 VanDerWaalsContact O-N 3.16Å; L29-E31 VanDerWaalsContact C-N 3.28Å
32	F	86.9	Confident	94.1	Very high	107 Å²	107	41.8 Å²	41.8	47%	0.469	20%	0.196	S	C	.	.	H	α-helix	trans	-119.7	-1.6	-168.9	-54.9	-71.5	0	0	0	115	M4 Y28	M4-F32 HydrophobicContact CE-CB 3.89Å; Y28-F32 HydrophobicContact CD1-CB 4.42Å; Y28-F32 HydrophobicContact CD1-CD2 4.12Å; Y28-F32 AromaticContact CD2-CD2 3.53Å; Y28-F32 HydrophobicContact CD2-CD2 3.53Å; Y28-F32 AromaticContact CD2-CE2 3.83Å; Y28-F32 HydrophobicContact CD2-CE2 3.83Å; Y28-F32 HydrophobicContact CE1-CB 3.97Å; Y28-F32 HydrophobicContact CE1-CD2 4.02Å; Y28-F32 HydrophobicContact CE1-CG 4.36Å; Y28-F32 AromaticContact CE2-CD2 3.42Å; Y28-F32 HydrophobicContact CE2-CD2 3.42Å; Y28-F32 VanDerWaalsContact CE2-CD2 3.42Å; Y28-F32 AromaticContact CE2-CE2 3.76Å; Y28-F32 HydrophobicContact CE2-CE2 3.76Å; Y28-F32 HydrophobicContact CE2-CG 4.26Å; Y28-F32 AromaticContact CG-CD2 3.89Å; Y28-F32 HydrophobicContact CG-CD2 3.89Å; Y28-F32 AromaticContact CZ-CD2 3.67Å; Y28-F32 WeakPolarHBondContact O-CD2 3.35Å; Y28-F32 PolarHBondContact O-N 3.37Å
33	G	85.1	Confident	94.1	Very high	37 Å²	37	41.7 Å²	41.7	38%	0.381	20%	0.196	S	C	.	.	S	Bend	trans	-138	-148.9	-174	0	0	0	0	0	113.2	L29	L29-G33 CarbonylContact O-C 2.94Å; L29-G33 WeakPolarHBondContact O-CA 3.48Å; L29-G33 PolarHBondContact O-N 3.33Å
34	N	89.3	Confident	94.1	Very high	69 Å²	69	41.1 Å²	41.1	37%	0.369	19%	0.194	S	C	.	.			trans	-122.7	105	172.2	-173.8	-13.9	0	0	0	110.1	H36 C37	N34-H36 PolarHBondContact O-N 3.12Å; N34-H36 WeakPolarHBondContact OD1-CB 3.42Å; N34-H36 PolarHBondContact OD1-N 3.13Å; N34-C37 HydrophobicContact CB-CB 4.41Å; N34-C37 WeakPolarHBondContact O-CB 3.39Å; N34-C37 PolarHBondContact O-N 3.03Å
35	L	90.7	Very high	94.1	Very high	23 Å²	23	39.8 Å²	39.8	12%	0.12	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-57.9	-32.9	179.7	-175.4	64.1	0	0	0	113	L26 R30 C37 G38 V125 L128	L26-L35 HydrophobicContact CB-CD1 4Å; L26-L35 HydrophobicContact CD2-CD1 3.65Å; L26-L35 HydrophobicContact CG-CD1 4.36Å; R30-L35 HydrophobicContact CB-CD2 4.35Å; R30-L35 HydrophobicContact CG-CD2 4.44Å; L35-C37 PolarHBondContact O-N 3.21Å; L35-G38 PolarHBondContact O-N 3.14Å; L35-G38 VanDerWaalsContact O-N 3.11Å; L35-V125 HydrophobicContact CB-CG2 4.45Å; L35-V125 HydrophobicContact CD2-CB 4.39Å; L35-V125 HydrophobicContact CD2-CG2 3.83Å; L35-V125 HydrophobicContact CG-CG2 3.74Å; L35-L128 HydrophobicContact CD1-CD2 4.34Å; L35-L128 HydrophobicContact CD2-CD2 3.79Å
36	H	91.8	Very high	94.1	Very high	145 Å²	145	45.1 Å²	45.1	67%	0.671	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-68.8	-15.7	179.3	-64	-80.9	0	0	0	113.5	N34	N34-H36 PolarHBondContact O-N 3.12Å; N34-H36 WeakPolarHBondContact OD1-CB 3.42Å; N34-H36 PolarHBondContact OD1-N 3.13Å
37	C	92.6	Very high	94.1	Very high	8 Å²	8	49.3 Å²	49.3	5%	0.054	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-85.5	-9.9	175.2	-66.1	0	0	0	0	113.1	N34 L35 Y76 N77 M79	N34-C37 HydrophobicContact CB-CB 4.41Å; N34-C37 WeakPolarHBondContact O-CB 3.39Å; N34-C37 PolarHBondContact O-N 3.03Å; L35-C37 PolarHBondContact O-N 3.21Å; C37-Y76 HydrophobicContact CB-CD2 3.9Å; C37-Y76 HydrophobicContact CB-CE1 4.21Å; C37-Y76 HydrophobicContact CB-CE2 3.46Å; C37-Y76 VanDerWaalsContact CB-CE2 3.46Å; C37-Y76 HydrophobicContact CB-CG 4.45Å; C37-Y76 CarbonylContact O-C 3.6Å; C37-Y76 WeakPolarHBondContact O-CA 3.43Å; C37-N77 HydrophobicContact CB-CB 4.37Å; C37-N77 VanDerWaalsContact CB-O 3.29Å; C37-N77 WeakPolarHBondContact CB-O 3.29Å; C37-N77 PolarHBondContact O-N 2.73Å; C37-N77 PolarHBondContact SG-O 2.78Å; C37-N77 VanDerWaalsContact SG-O 3.39Å; C37-M79 WeakPolarHBondContact SG-CE 3.43Å
38	G	95.4	Very high	94.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	137.2	-178.2	0	0	0	0	0	112.7	L35 I75 G124	L35-G38 PolarHBondContact O-N 3.14Å; L35-G38 VanDerWaalsContact O-N 3.11Å; G38-I75 CarbonylContact C-O 3.55Å; G38-G124 WeakPolarHBondContact O-CA 3.4Å; G38-G124 PolarHBondContact O-N 2.94Å
39	Y	97.2	Very high	94.4	Very high	52 Å²	52	53.1 Å²	53.1	20%	0.204	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	122.5	168	-61.3	-89	0	0	0	108.7	L74 I75 N77 Y82 V121 I122 F200	Y39-L74 CarbonylContact O-C 3.5Å; Y39-L74 WeakPolarHBondContact O-CA 3.43Å; Y39-L74 WeakPolarHBondContact O-CD1 3.36Å; Y39-I75 PolarHBondContact N-O 3.27Å; Y39-I75 PolarHBondContact O-N 2.92Å; Y39-N77 HydrophobicContact CE2-CB 4.42Å; Y39-Y82 HydrophobicContact CE2-CE1 4.36Å; Y39-V121 HydrophobicContact CD1-CG1 3.99Å; Y39-V121 HydrophobicContact CG-CG1 4.39Å; Y39-I122 CarbonylContact C-O 3.55Å; Y39-I122 VanDerWaalsContact CA-O 3.3Å; Y39-I122 WeakPolarHBondContact CA-O 3.39Å; Y39-F200 HydrophobicContact CD2-CE1 4.02Å; Y39-F200 HydrophobicContact CD2-CZ 4.49Å; Y39-F200 HydrophobicContact CE2-CE1 4.44Å; Y39-F200 HydrophobicContact CG-CE1 4.21Å; Y39-F200 HydrophobicContact CG-CZ 4.22Å
40	V	98.5	Very high	94.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	133.8	171	-176.6	0	0	0	0	108.2	V22 L26 F42 V72 L74 V121 I122 Y127	V22-V40 HydrophobicContact CG1-CB 4.32Å; V22-V40 HydrophobicContact CG1-CG1 3.87Å; V22-V40 HydrophobicContact CG1-CG2 3.72Å; L26-V40 HydrophobicContact CD1-CG2 3.49Å; L26-V40 VanDerWaalsContact CD1-CG2 3.49Å; L26-V40 HydrophobicContact CG-CG2 4.42Å; V40-F42 HydrophobicContact CG1-CD2 3.92Å; V40-F42 HydrophobicContact CG1-CE2 3.67Å; V40-V72 HydrophobicContact CG1-CG1 3.5Å; V40-V72 VanDerWaalsContact CG1-CG1 3.5Å; V40-L74 HydrophobicContact CG2-CD1 4.14Å; V40-V121 WeakPolarHBondContact O-CA 3.32Å; V40-I122 HydrophobicContact CB-CB 4.38Å; V40-I122 HydrophobicContact CB-CD1 4.27Å; V40-I122 HydrophobicContact CG1-CD1 4.36Å; V40-I122 PolarHBondContact N-O 3.03Å; V40-I122 WeakPolarHBondContact O-CD1 3.46Å; V40-I122 PolarHBondContact O-N 3.22Å; V40-Y127 HydrophobicContact CB-CD1 4.43Å; V40-Y127 HydrophobicContact CB-CD2 4.33Å; V40-Y127 HydrophobicContact CB-CG 4.11Å; V40-Y127 HydrophobicContact CG1-CD1 4.36Å; V40-Y127 HydrophobicContact CG1-CD2 4.15Å; V40-Y127 HydrophobicContact CG1-CE1 4.29Å; V40-Y127 HydrophobicContact CG1-CE2 4.17Å; V40-Y127 HydrophobicContact CG1-CG 4.24Å; V40-Y127 HydrophobicContact CG2-CD1 3.67Å; V40-Y127 HydrophobicContact CG2-CD2 4.35Å; V40-Y127 HydrophobicContact CG2-CE1 4.27Å; V40-Y127 HydrophobicContact CG2-CG 3.65Å
41	V	98.6	Very high	94.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	116.3	178.2	-175.1	0	0	0	0	108.6	L43 V72 F73 I75 Y119 R120 V121 F196	V41-L43 HydrophobicContact CG1-CD2 4.13Å; V41-V72 WeakPolarHBondContact O-CA 3.45Å; V41-F73 HydrophobicContact CB-CD1 4.5Å; V41-F73 HydrophobicContact CB-CD2 4.06Å; V41-F73 HydrophobicContact CB-CE1 4.11Å; V41-F73 HydrophobicContact CB-CE2 3.65Å; V41-F73 HydrophobicContact CB-CG 4.48Å; V41-F73 HydrophobicContact CB-CZ 3.68Å; V41-F73 HydrophobicContact CG1-CE1 3.94Å; V41-F73 HydrophobicContact CG1-CE2 4.02Å; V41-F73 HydrophobicContact CG1-CZ 3.54Å; V41-F73 HydrophobicContact CG2-CD2 4.31Å; V41-F73 HydrophobicContact CG2-CE2 3.78Å; V41-F73 HydrophobicContact CG2-CZ 4.18Å; V41-F73 PolarHBondContact N-O 3.18Å; V41-F73 PolarHBondContact O-N 3.4Å; V41-F73 VanDerWaalsContact O-N 3.14Å; V41-I75 HydrophobicContact CG2-CD1 3.76Å; V41-I75 HydrophobicContact CG2-CG1 3.89Å; V41-Y119 HydrophobicContact CG1-CD1 4.38Å; V41-R120 CarbonylContact C-O 3.54Å; V41-R120 WeakPolarHBondContact CA-O 3.29Å; V41-V121 HydrophobicContact CG2-CG2 4.49Å; V41-F196 HydrophobicContact CB-CE2 4.44Å; V41-F196 HydrophobicContact CG1-CE2 3.67Å; V41-F196 HydrophobicContact CG1-CZ 3.9Å; V41-F196 HydrophobicContact CG2-CE2 3.86Å; V41-F196 HydrophobicContact CG2-CZ 4.22Å
42	F	98.6	Very high	95.3	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	132.8	165.8	-80.6	-109.1	0	0	0	108.9	E19 V40 Y70 V72 R120 I122 Y127 F131 L166 Y169 L170 M172	E19-F42 HydrophobicContact CB-CE1 4.18Å; E19-F42 HydrophobicContact CB-CZ 3.95Å; V40-F42 HydrophobicContact CG1-CD2 3.92Å; V40-F42 HydrophobicContact CG1-CE2 3.67Å; F42-Y70 HydrophobicContact CD1-CD2 4.2Å; F42-Y70 HydrophobicContact CE1-CD2 4.29Å; F42-Y70 HydrophobicContact CE1-CE2 4.28Å; F42-V72 HydrophobicContact CD1-CG2 3.46Å; F42-V72 VanDerWaalsContact CD1-CG2 3.46Å; F42-V72 HydrophobicContact CD2-CG1 3.94Å; F42-V72 HydrophobicContact CD2-CG2 4.11Å; F42-V72 HydrophobicContact CE1-CG2 3.34Å; F42-V72 HydrophobicContact CE2-CG1 3.74Å; F42-V72 HydrophobicContact CE2-CG2 3.99Å; F42-V72 HydrophobicContact CG-CG1 4.44Å; F42-V72 HydrophobicContact CG-CG2 3.86Å; F42-V72 HydrophobicContact CZ-CG1 4.1Å; F42-V72 HydrophobicContact CZ-CG2 3.64Å; F42-R120 HydrophobicContact CB-CB 4.2Å; F42-R120 PolarHBondContact N-O 2.94Å; F42-R120 PolarHBondContact O-N 2.9Å; F42-I122 HydrophobicContact CD2-CD1 3.61Å; F42-I122 HydrophobicContact CE2-CD1 4.16Å; F42-Y127 HydrophobicContact CE2-CD2 4.18Å; F42-Y127 AromaticContact CE2-CE2 3.37Å; F42-Y127 HydrophobicContact CE2-CE2 3.37Å; F42-Y127 AromaticContact CE2-CZ 3.87Å; F42-Y127 AromaticContact CZ-CE2 3.69Å; F42-Y127 HydrophobicContact CZ-CE2 3.69Å; F42-Y127 AromaticContact CZ-CZ 3.97Å; F42-Y127 WeakPolarHBondContact CZ-OH 3.44Å; F42-F131 HydrophobicContact CZ-CE2 4.47Å; F42-L166 HydrophobicContact CE1-CD1 3.66Å; F42-L166 HydrophobicContact CZ-CD1 4.26Å; F42-Y169 HydrophobicContact CE2-CD1 4.2Å; F42-Y169 HydrophobicContact CE2-CG 4.31Å; F42-Y169 HydrophobicContact CZ-CG 4.24Å; F42-L170 HydrophobicContact CD1-CD2 3.8Å; F42-L170 HydrophobicContact CE1-CD2 4.19Å; F42-M172 HydrophobicContact CB-CE 3.86Å
43	L	98.4	Very high	95.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129.9	166.5	-57.2	-179.4	0	0	0	108.7	V41 I50 L52 Y70 H71 F73 L105 R117 S118 Y119	V41-L43 HydrophobicContact CG1-CD2 4.13Å; L43-I50 HydrophobicContact CB-CD1 3.32Å; L43-I50 HydrophobicContact CD1-CD1 4.32Å; L43-I50 HydrophobicContact CG-CD1 4.49Å; L43-I50 WeakPolarHBondContact O-CD1 3.1Å; L43-L52 HydrophobicContact CD1-CD1 4.01Å; L43-L52 HydrophobicContact CD1-CD2 3.75Å; L43-L52 HydrophobicContact CD1-CG 4.31Å; L43-Y70 CarbonylContact O-C 3.58Å; L43-Y70 WeakPolarHBondContact O-CA 3.16Å; L43-Y70 VanDerWaalsContact O-CB 3.25Å; L43-Y70 WeakPolarHBondContact O-CB 3.4Å; L43-H71 PolarHBondContact N-O 3.11Å; L43-H71 PolarHBondContact O-N 2.76Å; L43-F73 HydrophobicContact CD1-CD1 4.43Å; L43-F73 HydrophobicContact CD1-CE1 3.7Å; L43-F73 HydrophobicContact CD2-CE1 4.18Å; L43-F73 HydrophobicContact CG-CE1 3.81Å; L43-L105 HydrophobicContact CD1-CD2 3.87Å; L43-R117 HydrophobicContact CD2-CB 4.45Å; L43-S118 WeakPolarHBondContact CA-O 3.32Å; L43-Y119 HydrophobicContact CD2-CD1 3.08Å; L43-Y119 HydrophobicContact CD2-CE1 3.26Å; L43-Y119 HydrophobicContact CD2-CG 3.91Å
44	S	98.1	Very high	96.5	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	-171.6	166.7	-164.4	0	0	0	0	108	D69 S118	S44-D69 PolarHBondContact OG-O 3.41Å; S44-S118 PolarHBondContact N-O 3.04Å; S44-S118 WeakPolarHBondContact O-CB 3.19Å; S44-S118 PolarHBondContact O-N 2.65Å
45	N	97.1	Very high	97	Very high	14 Å²	14	31.1 Å²	31.1	8%	0.075	16%	0.16	C	C	.	.			trans	-156.9	178.1	170.7	62.9	14.8	0	0	0	109.6	N47 K48 S49 I50 E114 H116	N45-N47 PolarHBondContact O-N 3.13Å; N45-N47 VanDerWaalsContact O-N 3.16Å; N45-N47 PolarHBondContact OD1-N 3.46Å; N45-N47 VanDerWaalsContact OD1-N 3.13Å; N45-K48 PolarHBondContact O-N 2.67Å; N45-K48 PolarHBondContact OD1-N 3.16Å; N45-S49 PolarHBondContact ND2-O 2.91Å; N45-S49 PolarHBondContact OD1-N 2.98Å; N45-S49 PolarHBondContact OD1-O 3.17Å; N45-I50 HydrophobicContact CB-CG2 4.22Å; N45-E114 PolarHBondContact ND2-O 3.46Å; N45-H116 WeakPolarHBondContact CB-O 3.42Å; N45-H116 PolarHBondContact ND2-O 3.33Å
46	V	96.1	Very high	97.3	Very high	112 Å²	112	33.8 Å²	33.8	68%	0.679	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-26	179.4	-64.9	0	0	0	0	113.5	T173	V46-T173 HydrophobicContact CG1-CG2 3.77Å
47	N	96.4	Very high	97.6	Very high	89 Å²	89	31.8 Å²	31.8	48%	0.476	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-8.7	179.6	-59.7	-31.7	0	0	0	113.1	N45 S49 E114	N45-N47 PolarHBondContact O-N 3.13Å; N45-N47 VanDerWaalsContact O-N 3.16Å; N45-N47 PolarHBondContact OD1-N 3.46Å; N45-N47 VanDerWaalsContact OD1-N 3.13Å; N47-S49 PolarHBondContact O-N 2.81Å; N47-E114 WeakPolarHBondContact ND2-CA 3.4Å; N47-E114 PolarHBondContact ND2-O 3.22Å; N47-E114 VanDerWaalsContact ND2-O 3.12Å
48	K	97.3	Very high	97.8	Very high	139 Å²	139	31.7 Å²	31.7	60%	0.604	17%	0.167	S	C	*	.	S	Bend	trans	47.6	51.8	-168.1	-59.5	-180	179.8	-178.8	0	110.7	N45 D69	N45-K48 PolarHBondContact O-N 2.67Å; N45-K48 PolarHBondContact OD1-N 3.16Å; K48-D69 HydrophobicContact CB-CB 4.22Å; K48-D69 VanDerWaalsContact O-CA 3.29Å; K48-D69 WeakPolarHBondContact O-CA 3.22Å
49	S	98.2	Very high	97.9	Very high	41 Å²	41	34.5 Å²	34.5	29%	0.287	18%	0.182	S	C	.	.			trans	-154.8	103.9	179.9	-73.9	0	0	0	0	108.5	N45 N47 W68 L115	N45-S49 PolarHBondContact ND2-O 2.91Å; N45-S49 PolarHBondContact OD1-N 2.98Å; N45-S49 PolarHBondContact OD1-O 3.17Å; N47-S49 PolarHBondContact O-N 2.81Å; S49-W68 CarbonylContact C-O 3.51Å; S49-W68 VanDerWaalsContact CA-O 3.29Å; S49-W68 WeakPolarHBondContact CA-O 3.3Å; S49-L115 WeakPolarHBondContact O-CA 3.39Å
50	I	98.4	Very high	97.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	139.9	-178.5	53.5	160.9	0	0	0	110.9	L43 N45 I67 W68 H71 R117	L43-I50 HydrophobicContact CB-CD1 3.32Å; L43-I50 HydrophobicContact CD1-CD1 4.32Å; L43-I50 HydrophobicContact CG-CD1 4.49Å; L43-I50 WeakPolarHBondContact O-CD1 3.1Å; N45-I50 HydrophobicContact CB-CG2 4.22Å; I50-I67 VanDerWaalsContact O-CA 3.32Å; I50-I67 WeakPolarHBondContact O-CA 3.48Å; I50-W68 HydrophobicContact CD1-CB 4.42Å; I50-W68 HydrophobicContact CG1-CB 4.05Å; I50-W68 VanDerWaalsContact CG1-O 3.29Å; I50-W68 WeakPolarHBondContact CG1-O 3.24Å; I50-W68 PolarHBondContact N-O 3.34Å; I50-W68 PolarHBondContact O-N 3.15Å; I50-H71 HydrophobicContact CD1-CB 4.26Å; I50-R117 HydrophobicContact CB-CG 3.71Å; I50-R117 HydrophobicContact CD1-CG 4.41Å; I50-R117 HydrophobicContact CG2-CB 4.4Å; I50-R117 HydrophobicContact CG2-CG 3.83Å
51	G	98.3	Very high	97.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	131	176.4	0	0	0	0	0	112.6	F65 L115 R117	G51-F65 VanDerWaalsContact CA-CE2 3.47Å; G51-L115 PolarHBondContact N-O 2.86Å; G51-L115 VanDerWaalsContact N-O 3.13Å; G51-R117 VanDerWaalsContact O-CD 3.31Å; G51-R117 WeakPolarHBondContact O-CD 3.38Å; G51-R117 PolarHBondContact O-NH1 2.95Å
52	L	98.5	Very high	97.8	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	150.6	169.4	-74.1	-178.8	0	0	0	111.3	L43 Q55 F65 I66 H71 L105	L43-L52 HydrophobicContact CD1-CD1 4.01Å; L43-L52 HydrophobicContact CD1-CD2 3.75Å; L43-L52 HydrophobicContact CD1-CG 4.31Å; L52-Q55 HydrophobicContact CB-CG 3.87Å; L52-F65 CarbonylContact O-C 3.48Å; L52-F65 VanDerWaalsContact O-CA 3.27Å; L52-F65 WeakPolarHBondContact O-CA 3.48Å; L52-F65 VanDerWaalsContact O-CD2 3.26Å; L52-F65 WeakPolarHBondContact O-CD2 3.47Å; L52-I66 HydrophobicContact CB-CG2 4.2Å; L52-I66 PolarHBondContact N-O 2.85Å; L52-I66 PolarHBondContact O-N 2.99Å; L52-H71 HydrophobicContact CD1-CB 3.78Å; L52-H71 VanDerWaalsContact CD1-CD2 3.46Å; L52-H71 WeakPolarHBondContact CD1-CD2 3.33Å; L52-L105 HydrophobicContact CD2-CD2 3.74Å
53	F	98.7	Very high	97.7	Very high	14 Å²	14	57.5 Å²	57.5	6%	0.061	29%	0.294	C	S	.	.	S	Bend	trans	-113.1	168.8	178.1	-60.5	-88.6	0	0	0	111.1	Q55 N63 H64 F65 Y103 G104 R106 V110 L111	F53-Q55 PolarHBondContact O-N 3.41Å; F53-N63 HydrophobicContact CD1-CB 4.21Å; F53-H64 CarbonylContact C-O 3.48Å; F53-F65 HydrophobicContact CD1-CB 3.99Å; F53-F65 AromaticContact CD1-CD2 3.73Å; F53-F65 HydrophobicContact CD1-CD2 3.73Å; F53-F65 HydrophobicContact CD1-CG 4.32Å; F53-F65 HydrophobicContact CD2-CD2 4.35Å; F53-F65 HydrophobicContact CE1-CB 4.05Å; F53-F65 AromaticContact CE1-CD2 3.41Å; F53-F65 HydrophobicContact CE1-CD2 3.41Å; F53-F65 VanDerWaalsContact CE1-CD2 3.41Å; F53-F65 HydrophobicContact CE1-CE2 4.18Å; F53-F65 HydrophobicContact CE1-CG 4.05Å; F53-F65 HydrophobicContact CE2-CD2 4.09Å; F53-F65 HydrophobicContact CE2-CE2 4.26Å; F53-F65 HydrophobicContact CG-CD2 4.19Å; F53-F65 AromaticContact CZ-CD2 3.61Å; F53-F65 HydrophobicContact CZ-CD2 3.61Å; F53-F65 AromaticContact CZ-CE2 3.92Å; F53-F65 HydrophobicContact CZ-CE2 3.92Å; F53-Y103 VanDerWaalsContact CB-O 3.26Å; F53-Y103 WeakPolarHBondContact CB-O 3.49Å; F53-G104 PolarHBondContact N-O 3.16Å; F53-G104 WeakPolarHBondContact O-CA 3.46Å; F53-R106 HydrophobicContact CD2-CB 4.44Å; F53-R106 HydrophobicContact CD2-CG 4.14Å; F53-R106 HydrophobicContact CE2-CB 4.43Å; F53-R106 HydrophobicContact CE2-CG 4.46Å; F53-V110 HydrophobicContact CE2-CG2 3.82Å; F53-V110 HydrophobicContact CZ-CG2 3.98Å; F53-L111 HydrophobicContact CE2-CD2 3.76Å; F53-L111 HydrophobicContact CZ-CD2 3.71Å
54	A	98.5	Very high	97.7	Very high	12 Å²	12	60.4 Å²	60.4	10%	0.099	31%	0.308	C	S	.	.	S	Bend	trans	55.4	33.5	179.8	0	0	0	0	0	113.4	N63 H64 S89 L90 L91	A54-N63 PolarHBondContact N-O 2.78Å; A54-H64 PolarHBondContact N-O 3.16Å; A54-S89 CarbonylContact O-C 3.54Å; A54-S89 WeakPolarHBondContact O-CA 3.33Å; A54-L90 WeakPolarHBondContact O-CB 3.38Å; A54-L90 PolarHBondContact O-N 2.97Å; A54-L91 HydrophobicContact CB-CD1 4.43Å; A54-L91 HydrophobicContact CB-CD2 4.12Å; A54-L91 HydrophobicContact CB-CG 4Å
55	Q	98.6	Very high	97.7	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-97.7	143	-179.4	-66.8	-72.7	-68.8	0	0	111.4	L52 F53 K57 G58 H64 I66 D86 D88	L52-Q55 HydrophobicContact CB-CG 3.87Å; F53-Q55 PolarHBondContact O-N 3.41Å; Q55-K57 PolarHBondContact O-N 2.82Å; Q55-K57 VanDerWaalsContact O-N 3.16Å; Q55-G58 PolarHBondContact O-N 3Å; Q55-H64 PolarHBondContact N-O 3.11Å; Q55-H64 VanDerWaalsContact N-O 3.12Å; Q55-H64 WeakPolarHBondContact O-CB 3.2Å; Q55-I66 HydrophobicContact CB-CB 4.47Å; Q55-I66 HydrophobicContact CB-CG2 3.56Å; Q55-I66 HydrophobicContact CG-CG2 3.53Å; Q55-D86 PolarHBondContact NE2-OD2 2.99Å; Q55-D88 CarbonylContact C-O 3.53Å; Q55-D88 WeakPolarHBondContact CA-O 3.41Å; Q55-D88 PolarHBondContact OE1-O 3.25Å
56	V	97.8	Very high	97.8	Very high	80 Å²	80	62.4 Å²	62.4	49%	0.485	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-38.7	-176.5	170.9	0	0	0	0	112.1	D88 L90	V56-D88 WeakPolarHBondContact CG2-O 3.36Å; V56-D88 PolarHBondContact N-O 3.13Å; V56-L90 HydrophobicContact CG2-CD2 3.9Å; V56-L90 HydrophobicContact CG2-CG 4.2Å
57	K	97.3	Very high	97.9	Very high	102 Å²	102	61.4 Å²	61.4	44%	0.443	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	0.3	179	-67.5	-177.9	-179.1	177.8	0	114	N16 Q55 I66 W68	N16-K57 PolarHBondContact OD1-NZ 3.4Å; Q55-K57 PolarHBondContact O-N 2.82Å; Q55-K57 VanDerWaalsContact O-N 3.16Å; K57-I66 HydrophobicContact CB-CD1 3.67Å; K57-W68 HydrophobicContact CD-CH2 4.08Å
58	G	98	Very high	98	Very high	6 Å²	6	59 Å²	59	6%	0.062	29%	0.29	C	S	.	.	S	Bend	trans	-77.6	156.2	-178	0	0	0	0	0	113.1	Q55 P60 H64 F65	Q55-G58 PolarHBondContact O-N 3Å; G58-P60 WeakPolarHBondContact O-CD 3.22Å; G58-H64 PolarHBondContact O-ND1 3.44Å; G58-F65 CarbonylContact C-O 3.13Å; G58-F65 WeakPolarHBondContact CA-O 3.42Å
59	D	98	Very high	98	Very high	60 Å²	60	56.3 Å²	56.3	32%	0.321	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-63.6	113.6	-178.9	-176.8	-11.4	0	0	0	110.8	R61 M62 H64 F65	D59-R61 PolarHBondContact O-N 2.93Å; D59-R61 VanDerWaalsContact O-N 3.07Å; D59-R61 VanDerWaalsContact OD1-CB 3.32Å; D59-R61 WeakPolarHBondContact OD1-CB 3.42Å; D59-R61 PolarHBondContact OD1-N 2.89Å; D59-M62 HydrophobicContact CB-CB 4.31Å; D59-M62 HydrophobicContact CB-CE 3.84Å; D59-M62 HydrophobicContact CB-CG 4.47Å; D59-M62 CarbonylContact O-C 3.55Å; D59-M62 PolarHBondContact O-N 2.88Å; D59-H64 WeakPolarHBondContact O-CA 3.37Å; D59-H64 PolarHBondContact O-N 2.9Å; D59-F65 PolarHBondContact N-O 3.15Å
60	P	97.3	Very high	98	Very high	93 Å²	93	55 Å²	55	60%	0.604	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-58.4	-24	-179.8	-23.1	34.1	0	0	0	113.8	G58 M62	G58-P60 WeakPolarHBondContact O-CD 3.22Å; P60-M62 VanDerWaalsContact C-N 3.27Å; P60-M62 PolarHBondContact O-N 2.8Å
61	R	97.3	Very high	98.1	Very high	230 Å²	230	55.1 Å²	55.1	87%	0.868	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-77.1	-15.1	178.2	-56.5	176.4	-172.4	171.5	3.6	112.7	D59	D59-R61 PolarHBondContact O-N 2.93Å; D59-R61 VanDerWaalsContact O-N 3.07Å; D59-R61 VanDerWaalsContact OD1-CB 3.32Å; D59-R61 WeakPolarHBondContact OD1-CB 3.42Å; D59-R61 PolarHBondContact OD1-N 2.89Å
62	M	96.7	Very high	98.1	Very high	95 Å²	95	55.3 Å²	55.3	47%	0.468	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-120.4	41.2	-177.2	-60.6	-163.3	-66.6	0	0	112.1	D59 P60 H64 F65	D59-M62 HydrophobicContact CB-CB 4.31Å; D59-M62 HydrophobicContact CB-CE 3.84Å; D59-M62 HydrophobicContact CB-CG 4.47Å; D59-M62 CarbonylContact O-C 3.55Å; D59-M62 PolarHBondContact O-N 2.88Å; P60-M62 VanDerWaalsContact C-N 3.27Å; P60-M62 PolarHBondContact O-N 2.8Å; M62-H64 PolarHBondContact O-N 2.77Å; M62-F65 HydrophobicContact CB-CB 3.94Å; M62-F65 HydrophobicContact CE-CD1 4.22Å; M62-F65 WeakPolarHBondContact O-CB 3.37Å; M62-F65 PolarHBondContact O-N 2.83Å
63	N	97.5	Very high	98.1	Very high	116 Å²	116	55.3 Å²	55.3	62%	0.62	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	35.9	-175.9	-52.3	-79.3	0	0	0	112.8	F53 A54 F65	F53-N63 HydrophobicContact CD1-CB 4.21Å; A54-N63 PolarHBondContact N-O 2.78Å; N63-F65 VanDerWaalsContact C-N 3.31Å; N63-F65 PolarHBondContact O-N 3.15Å
64	H	98.4	Very high	98.1	Very high	62 Å²	62	54.6 Å²	54.6	29%	0.287	27%	0.27	S	S	.	.	S	Bend	trans	56.1	45.8	-176.1	-63.9	-83.5	0	0	0	112.5	F53 A54 Q55 G58 D59 M62 L90	F53-H64 CarbonylContact C-O 3.48Å; A54-H64 PolarHBondContact N-O 3.16Å; Q55-H64 PolarHBondContact N-O 3.11Å; Q55-H64 VanDerWaalsContact N-O 3.12Å; Q55-H64 WeakPolarHBondContact O-CB 3.2Å; G58-H64 PolarHBondContact O-ND1 3.44Å; D59-H64 WeakPolarHBondContact O-CA 3.37Å; D59-H64 PolarHBondContact O-N 2.9Å; M62-H64 PolarHBondContact O-N 2.77Å; H64-L90 HydrophobicContact CB-CD1 3.74Å; H64-L90 VanDerWaalsContact CD2-CD1 3.44Å; H64-L90 WeakPolarHBondContact CD2-CD1 3.3Å; H64-L90 WeakPolarHBondContact ND1-CD1 3.45Å
65	F	98.5	Very high	98	Very high	34 Å²	34	54 Å²	54	15%	0.149	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-74.5	138.9	176.7	-178.8	-107.3	0	0	0	111.8	G51 L52 F53 G58 D59 M62 N63 I67 L111 L115	G51-F65 VanDerWaalsContact CA-CE2 3.47Å; L52-F65 CarbonylContact O-C 3.48Å; L52-F65 VanDerWaalsContact O-CA 3.27Å; L52-F65 WeakPolarHBondContact O-CA 3.48Å; L52-F65 VanDerWaalsContact O-CD2 3.26Å; L52-F65 WeakPolarHBondContact O-CD2 3.47Å; F53-F65 HydrophobicContact CD1-CB 3.99Å; F53-F65 AromaticContact CD1-CD2 3.73Å; F53-F65 HydrophobicContact CD1-CD2 3.73Å; F53-F65 HydrophobicContact CD1-CG 4.32Å; F53-F65 HydrophobicContact CD2-CD2 4.35Å; F53-F65 HydrophobicContact CE1-CB 4.05Å; F53-F65 AromaticContact CE1-CD2 3.41Å; F53-F65 HydrophobicContact CE1-CD2 3.41Å; F53-F65 VanDerWaalsContact CE1-CD2 3.41Å; F53-F65 HydrophobicContact CE1-CE2 4.18Å; F53-F65 HydrophobicContact CE1-CG 4.05Å; F53-F65 HydrophobicContact CE2-CD2 4.09Å; F53-F65 HydrophobicContact CE2-CE2 4.26Å; F53-F65 HydrophobicContact CG-CD2 4.19Å; F53-F65 AromaticContact CZ-CD2 3.61Å; F53-F65 HydrophobicContact CZ-CD2 3.61Å; F53-F65 AromaticContact CZ-CE2 3.92Å; F53-F65 HydrophobicContact CZ-CE2 3.92Å; G58-F65 CarbonylContact C-O 3.13Å; G58-F65 WeakPolarHBondContact CA-O 3.42Å; D59-F65 PolarHBondContact N-O 3.15Å; M62-F65 HydrophobicContact CB-CB 3.94Å; M62-F65 HydrophobicContact CE-CD1 4.22Å; M62-F65 WeakPolarHBondContact O-CB 3.37Å; M62-F65 PolarHBondContact O-N 2.83Å; N63-F65 VanDerWaalsContact C-N 3.31Å; N63-F65 PolarHBondContact O-N 3.15Å; F65-I67 HydrophobicContact CE1-CD1 4.27Å; F65-I67 HydrophobicContact CE1-CG1 3.79Å; F65-I67 HydrophobicContact CZ-CG1 4.01Å; F65-L111 HydrophobicContact CE2-CD2 3.56Å; F65-L111 HydrophobicContact CZ-CD2 4.04Å; F65-L115 HydrophobicContact CZ-CD1 4.04Å
66	I	98.5	Very high	97.9	Very high	25 Å²	25	55.2 Å²	55.2	13%	0.128	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	151.2	176.1	-171.4	158.8	0	0	0	110.2	L52 Q55 K57 W68	L52-I66 HydrophobicContact CB-CG2 4.2Å; L52-I66 PolarHBondContact N-O 2.85Å; L52-I66 PolarHBondContact O-N 2.99Å; Q55-I66 HydrophobicContact CB-CB 4.47Å; Q55-I66 HydrophobicContact CB-CG2 3.56Å; Q55-I66 HydrophobicContact CG-CG2 3.53Å; K57-I66 HydrophobicContact CB-CD1 3.67Å; I66-W68 HydrophobicContact CD1-CD2 4.25Å; I66-W68 HydrophobicContact CD1-CH2 3.96Å; I66-W68 HydrophobicContact CD1-CZ2 3.48Å; I66-W68 VanDerWaalsContact CD1-CZ2 3.48Å; I66-W68 HydrophobicContact CG1-CD2 4.39Å; I66-W68 HydrophobicContact CG1-CZ2 4.4Å; I66-W68 VanDerWaalsContact CG2-NE1 3.33Å
67	I	98.5	Very high	97.7	Very high	90 Å²	90	52.8 Å²	52.8	46%	0.462	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	122.5	169.9	-59.5	172	0	0	0	107.7	I50 F65 L115	I50-I67 VanDerWaalsContact O-CA 3.32Å; I50-I67 WeakPolarHBondContact O-CA 3.48Å; F65-I67 HydrophobicContact CE1-CD1 4.27Å; F65-I67 HydrophobicContact CE1-CG1 3.79Å; F65-I67 HydrophobicContact CZ-CG1 4.01Å; I67-L115 HydrophobicContact CD1-CD1 4.02Å; I67-L115 HydrophobicContact CD1-CD2 4.06Å; I67-L115 HydrophobicContact CG1-CD1 4.28Å; I67-L115 HydrophobicContact CG1-CD2 4.21Å; I67-L115 HydrophobicContact CG2-CD2 3.99Å
68	W	98.3	Very high	97.3	Very high	38 Å²	38	48.4 Å²	48.4	14%	0.144	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	153.7	173.4	-68.5	116.6	0	0	0	110.4	S49 I50 K57 I66 Y70 H71	S49-W68 CarbonylContact C-O 3.51Å; S49-W68 VanDerWaalsContact CA-O 3.29Å; S49-W68 WeakPolarHBondContact CA-O 3.3Å; I50-W68 HydrophobicContact CD1-CB 4.42Å; I50-W68 HydrophobicContact CG1-CB 4.05Å; I50-W68 VanDerWaalsContact CG1-O 3.29Å; I50-W68 WeakPolarHBondContact CG1-O 3.24Å; I50-W68 PolarHBondContact N-O 3.34Å; I50-W68 PolarHBondContact O-N 3.15Å; K57-W68 HydrophobicContact CD-CH2 4.08Å; I66-W68 HydrophobicContact CD1-CD2 4.25Å; I66-W68 HydrophobicContact CD1-CH2 3.96Å; I66-W68 HydrophobicContact CD1-CZ2 3.48Å; I66-W68 VanDerWaalsContact CD1-CZ2 3.48Å; I66-W68 HydrophobicContact CG1-CD2 4.39Å; I66-W68 HydrophobicContact CG1-CZ2 4.4Å; I66-W68 VanDerWaalsContact CG2-NE1 3.33Å; W68-Y70 WeakPolarHBondContact CB-O 3.46Å; W68-H71 HydrophobicContact CG-CB 4.48Å
69	D	97.6	Very high	96.7	Very high	83 Å²	83	54.1 Å²	54.1	44%	0.444	26%	0.263	S	S	.	.	S	Bend	trans	-71.7	-40.3	165.9	57.1	-22	0	0	0	111.6	S44 K48	S44-D69 PolarHBondContact OG-O 3.41Å; K48-D69 HydrophobicContact CB-CB 4.22Å; K48-D69 VanDerWaalsContact O-CA 3.29Å; K48-D69 WeakPolarHBondContact O-CA 3.22Å
70	Y	98.6	Very high	96.2	Very high	14 Å²	14	55.6 Å²	55.6	6%	0.055	28%	0.278	C	S	.	.			trans	-153.5	163.4	164.6	73.2	-79.2	0	0	0	110.5	E19 F42 L43 W68 V72 H137 L166 L170	E19-Y70 HydrophobicContact CB-CE2 4.29Å; E19-Y70 PolarHBondContact OE2-OH 2.81Å; F42-Y70 HydrophobicContact CD1-CD2 4.2Å; F42-Y70 HydrophobicContact CE1-CD2 4.29Å; F42-Y70 HydrophobicContact CE1-CE2 4.28Å; L43-Y70 CarbonylContact O-C 3.58Å; L43-Y70 WeakPolarHBondContact O-CA 3.16Å; L43-Y70 VanDerWaalsContact O-CB 3.25Å; L43-Y70 WeakPolarHBondContact O-CB 3.4Å; W68-Y70 WeakPolarHBondContact CB-O 3.46Å; Y70-V72 HydrophobicContact CD2-CG2 3.84Å; Y70-V72 HydrophobicContact CE2-CG2 3.87Å; Y70-H137 PolarHBondContact OH-NE2 3.04Å; Y70-L166 HydrophobicContact CE2-CD1 4.43Å; Y70-L170 HydrophobicContact CD1-CD1 4.28Å; Y70-L170 HydrophobicContact CD1-CD2 3.98Å; Y70-L170 HydrophobicContact CD2-CD2 3.59Å; Y70-L170 HydrophobicContact CE1-CD1 4.49Å; Y70-L170 HydrophobicContact CE2-CD2 4.26Å; Y70-L170 HydrophobicContact CG-CD2 3.41Å; Y70-L170 VanDerWaalsContact CG-CD2 3.41Å
71	H	98.7	Very high	96	Very high	3 Å²	3	53.2 Å²	53.2	1%	0.014	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	149.4	171.7	-169.3	50.1	0	0	0	110.9	L43 I50 L52 W68 D86 D88	L43-H71 PolarHBondContact N-O 3.11Å; L43-H71 PolarHBondContact O-N 2.76Å; I50-H71 HydrophobicContact CD1-CB 4.26Å; L52-H71 HydrophobicContact CD1-CB 3.78Å; L52-H71 VanDerWaalsContact CD1-CD2 3.46Å; L52-H71 WeakPolarHBondContact CD1-CD2 3.33Å; W68-H71 HydrophobicContact CG-CB 4.48Å; H71-D86 IonicContact CD2-OD2 3.9Å; H71-D86 IonicContact CE1-OD1 3.63Å; H71-D86 IonicContact NE2-OD1 3.98Å; H71-D86 PolarHBondContact NE2-OD1 3.47Å; H71-D86 IonicContact NE2-OD2 3.86Å; H71-D86 PolarHBondContact NE2-OD2 3.04Å; H71-D88 IonicContact CE1-OD2 3.9Å
72	V	98.8	Very high	95.9	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.018	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.8	-177.8	-166.7	0	0	0	0	110.7	C18 E19 V22 V40 V41 F42 Y70	C18-V72 HydrophobicContact CB-CB 4.24Å; C18-V72 PolarHBondContact SG-N 3.33Å; E19-V72 HydrophobicContact CB-CG2 3.97Å; V22-V72 HydrophobicContact CB-CG1 4.14Å; V22-V72 HydrophobicContact CG1-CG1 4.43Å; V22-V72 HydrophobicContact CG2-CB 4.47Å; V22-V72 HydrophobicContact CG2-CG1 4.01Å; V40-V72 HydrophobicContact CG1-CG1 3.5Å; V40-V72 VanDerWaalsContact CG1-CG1 3.5Å; V41-V72 WeakPolarHBondContact O-CA 3.45Å; F42-V72 HydrophobicContact CD1-CG2 3.46Å; F42-V72 VanDerWaalsContact CD1-CG2 3.46Å; F42-V72 HydrophobicContact CD2-CG1 3.94Å; F42-V72 HydrophobicContact CD2-CG2 4.11Å; F42-V72 HydrophobicContact CE1-CG2 3.34Å; F42-V72 HydrophobicContact CE2-CG1 3.74Å; F42-V72 HydrophobicContact CE2-CG2 3.99Å; F42-V72 HydrophobicContact CG-CG1 4.44Å; F42-V72 HydrophobicContact CG-CG2 3.86Å; F42-V72 HydrophobicContact CZ-CG1 4.1Å; F42-V72 HydrophobicContact CZ-CG2 3.64Å; Y70-V72 HydrophobicContact CD2-CG2 3.84Å; Y70-V72 HydrophobicContact CE2-CG2 3.87Å
73	F	98.7	Very high	95.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	165.8	172.3	60.5	-92.9	0	0	0	110.8	V41 L43 I75 V84 D86 Y100 F196	V41-F73 HydrophobicContact CB-CD1 4.5Å; V41-F73 HydrophobicContact CB-CD2 4.06Å; V41-F73 HydrophobicContact CB-CE1 4.11Å; V41-F73 HydrophobicContact CB-CE2 3.65Å; V41-F73 HydrophobicContact CB-CG 4.48Å; V41-F73 HydrophobicContact CB-CZ 3.68Å; V41-F73 HydrophobicContact CG1-CE1 3.94Å; V41-F73 HydrophobicContact CG1-CE2 4.02Å; V41-F73 HydrophobicContact CG1-CZ 3.54Å; V41-F73 HydrophobicContact CG2-CD2 4.31Å; V41-F73 HydrophobicContact CG2-CE2 3.78Å; V41-F73 HydrophobicContact CG2-CZ 4.18Å; V41-F73 PolarHBondContact N-O 3.18Å; V41-F73 PolarHBondContact O-N 3.4Å; V41-F73 VanDerWaalsContact O-N 3.14Å; L43-F73 HydrophobicContact CD1-CD1 4.43Å; L43-F73 HydrophobicContact CD1-CE1 3.7Å; L43-F73 HydrophobicContact CD2-CE1 4.18Å; L43-F73 HydrophobicContact CG-CE1 3.81Å; F73-I75 HydrophobicContact CD2-CG1 4.12Å; F73-I75 HydrophobicContact CE2-CD1 4Å; F73-I75 HydrophobicContact CE2-CG1 3.74Å; F73-V84 HydrophobicContact CB-CG1 4.3Å; F73-V84 HydrophobicContact CD2-CG1 3.64Å; F73-V84 HydrophobicContact CE2-CG1 4.24Å; F73-V84 HydrophobicContact CG-CG1 4.15Å; F73-D86 HydrophobicContact CB-CB 3.93Å; F73-Y100 HydrophobicContact CD1-CE1 4.41Å; F73-Y100 HydrophobicContact CE1-CE1 4.15Å; F73-Y100 HydrophobicContact CE2-CE1 4.33Å; F73-Y100 HydrophobicContact CZ-CE1 4.1Å; F73-F196 HydrophobicContact CE2-CZ 4.32Å; F73-F196 AromaticContact CZ-CZ 4Å; F73-F196 HydrophobicContact CZ-CZ 4Å
74	L	98.3	Very high	95.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	135	176.1	-175.8	80.5	0	0	0	110.4	V22 L25 L26 L29 Y39 V40 V84 Y85	V22-L74 HydrophobicContact CG1-CB 4.06Å; V22-L74 HydrophobicContact CG1-CD1 4.24Å; L25-L74 HydrophobicContact CD2-CB 4.09Å; L25-L74 HydrophobicContact CD2-CD2 3.6Å; L25-L74 HydrophobicContact CD2-CG 4.48Å; L25-L74 HydrophobicContact CG-CD2 3.96Å; L26-L74 HydrophobicContact CD2-CD1 3.62Å; L26-L74 HydrophobicContact CG-CD1 4.18Å; L29-L74 HydrophobicContact CD1-CD2 3.44Å; L29-L74 VanDerWaalsContact CD1-CD2 3.44Å; Y39-L74 CarbonylContact O-C 3.5Å; Y39-L74 WeakPolarHBondContact O-CA 3.43Å; Y39-L74 WeakPolarHBondContact O-CD1 3.36Å; V40-L74 HydrophobicContact CG2-CD1 4.14Å; L74-V84 CarbonylContact O-C 3.59Å; L74-V84 WeakPolarHBondContact O-CA 3.44Å; L74-Y85 HydrophobicContact CD2-CD2 4.18Å; L74-Y85 PolarHBondContact N-O 3.03Å; L74-Y85 PolarHBondContact O-N 2.82Å
75	I	97.4	Very high	95.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	126.9	161.4	-60.6	-179.4	0	0	0	109.1	G38 Y39 V41 F73 Y82 W83 V84 F97 F196 F200	G38-I75 CarbonylContact C-O 3.55Å; Y39-I75 PolarHBondContact N-O 3.27Å; Y39-I75 PolarHBondContact O-N 2.92Å; V41-I75 HydrophobicContact CG2-CD1 3.76Å; V41-I75 HydrophobicContact CG2-CG1 3.89Å; F73-I75 HydrophobicContact CD2-CG1 4.12Å; F73-I75 HydrophobicContact CE2-CD1 4Å; F73-I75 HydrophobicContact CE2-CG1 3.74Å; I75-Y82 HydrophobicContact CG2-CD1 3.61Å; I75-Y82 HydrophobicContact CG2-CG 4.11Å; I75-W83 CarbonylContact C-O 3.53Å; I75-W83 VanDerWaalsContact CA-O 3.3Å; I75-W83 WeakPolarHBondContact CA-O 3.47Å; I75-V84 HydrophobicContact CG1-CG2 4.25Å; I75-F97 HydrophobicContact CD1-CD2 3.85Å; I75-F97 HydrophobicContact CD1-CE2 3.71Å; I75-F97 HydrophobicContact CG1-CD2 4.48Å; I75-F196 HydrophobicContact CD1-CE2 4.01Å; I75-F196 HydrophobicContact CD1-CZ 3.73Å; I75-F200 HydrophobicContact CB-CE1 4.38Å; I75-F200 HydrophobicContact CD1-CB 4.32Å; I75-F200 HydrophobicContact CD1-CD1 3.95Å; I75-F200 HydrophobicContact CD1-CD2 3.56Å; I75-F200 HydrophobicContact CD1-CE1 4.06Å; I75-F200 HydrophobicContact CD1-CE2 3.7Å; I75-F200 HydrophobicContact CD1-CG 3.68Å; I75-F200 HydrophobicContact CD1-CZ 3.93Å; I75-F200 HydrophobicContact CG2-CD1 3.81Å; I75-F200 HydrophobicContact CG2-CE1 3.92Å; I75-F200 HydrophobicContact CG2-CG 4.47Å
76	Y	95.5	Very high	95.8	Very high	26 Å²	26	32.7 Å²	32.7	10%	0.102	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127	175.2	-171.4	-94.4	0	0	0	111.2	L29 C37 Y82 W83 Y85	L29-Y76 HydrophobicContact CD1-CD2 3.98Å; L29-Y76 HydrophobicContact CD1-CE2 4.26Å; L29-Y76 HydrophobicContact CD2-CD2 4.47Å; L29-Y76 HydrophobicContact CD2-CE2 4.17Å; C37-Y76 HydrophobicContact CB-CD2 3.9Å; C37-Y76 HydrophobicContact CB-CE1 4.21Å; C37-Y76 HydrophobicContact CB-CE2 3.46Å; C37-Y76 VanDerWaalsContact CB-CE2 3.46Å; C37-Y76 HydrophobicContact CB-CG 4.45Å; C37-Y76 CarbonylContact O-C 3.6Å; C37-Y76 WeakPolarHBondContact O-CA 3.43Å; Y76-Y82 WeakPolarHBondContact O-CA 3.4Å; Y76-W83 PolarHBondContact N-O 2.76Å; Y76-W83 PolarHBondContact O-N 3.12Å; Y76-Y85 HydrophobicContact CG-CE2 4.31Å
77	N	94	Very high	95.8	Very high	29 Å²	29	31.7 Å²	31.7	16%	0.155	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	109.5	173.8	-174.1	-4.5	0	0	0	110.9	C37 Y39 M79 Y82	C37-N77 HydrophobicContact CB-CB 4.37Å; C37-N77 VanDerWaalsContact CB-O 3.29Å; C37-N77 WeakPolarHBondContact CB-O 3.29Å; C37-N77 PolarHBondContact O-N 2.73Å; C37-N77 PolarHBondContact SG-O 2.78Å; C37-N77 VanDerWaalsContact SG-O 3.39Å; Y39-N77 HydrophobicContact CE2-CB 4.42Å; N77-M79 HydrophobicContact CB-CE 4.39Å; N77-M79 PolarHBondContact O-N 2.93Å; N77-M79 VanDerWaalsContact OD1-CA 3.26Å; N77-M79 WeakPolarHBondContact OD1-CA 3.42Å; N77-M79 PolarHBondContact OD1-N 3.13Å; N77-Y82 HydrophobicContact CB-CD1 3.91Å; N77-Y82 HydrophobicContact CB-CE1 3.61Å
78	S	89.8	Confident	95.7	Very high	9 Å²	9	27.7 Å²	27.7	6%	0.063	14%	0.144	C	C	.	.			trans	-85.8	19.6	175.1	76.6	0	0	0	0	113.6	M1 S80 S81 W83	M1-S78 PolarHBondContact O-OG 2.86Å; S78-S80 PolarHBondContact O-N 3.32Å; S78-S80 PolarHBondContact OG-OG 2.77Å; S78-S81 PolarHBondContact N-O 2.92Å; S78-S81 PolarHBondContact OG-O 2.63Å; S78-S81 PolarHBondContact OG-OG 2.84Å; S78-W83 PolarHBondContact OG-NE1 2.99Å
79	M	84.9	Confident	95.7	Very high	127 Å²	127	26.2 Å²	26.2	63%	0.626	14%	0.139	S	C	*	.	S	Bend	trans	67.4	-25.7	-170.8	-57.6	-64.9	116.4	0	0	115.5	C37 N77	C37-M79 WeakPolarHBondContact SG-CE 3.43Å; N77-M79 HydrophobicContact CB-CE 4.39Å; N77-M79 PolarHBondContact O-N 2.93Å; N77-M79 VanDerWaalsContact OD1-CA 3.26Å; N77-M79 WeakPolarHBondContact OD1-CA 3.42Å; N77-M79 PolarHBondContact OD1-N 3.13Å
80	S	86.6	Confident	95.7	Very high	90 Å²	90	26.4 Å²	26.4	63%	0.629	14%	0.14	S	C	*	.	S	Bend	trans	-106.3	-22.3	177.4	57.7	0	0	0	0	113.8	S78	S78-S80 PolarHBondContact O-N 3.32Å; S78-S80 PolarHBondContact OG-OG 2.77Å
81	S	92.8	Very high	95.7	Very high	44 Å²	44	27.1 Å²	27.1	31%	0.308	15%	0.145	S	C	.	.			trans	-162.6	164.9	-175.8	54.5	0	0	0	0	111.1	S78 W83	S78-S81 PolarHBondContact N-O 2.92Å; S78-S81 PolarHBondContact OG-O 2.63Å; S78-S81 PolarHBondContact OG-OG 2.84Å; S81-W83 PolarHBondContact OG-NE1 2.77Å
82	Y	95.8	Very high	95.5	Very high	47 Å²	47	30.5 Å²	30.5	18%	0.184	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	141.4	175.6	-67.6	-77.9	0	0	0	111.3	Y39 I75 Y76 N77 F97 F200	Y39-Y82 HydrophobicContact CE2-CE1 4.36Å; I75-Y82 HydrophobicContact CG2-CD1 3.61Å; I75-Y82 HydrophobicContact CG2-CG 4.11Å; Y76-Y82 WeakPolarHBondContact O-CA 3.4Å; N77-Y82 HydrophobicContact CB-CD1 3.91Å; N77-Y82 HydrophobicContact CB-CE1 3.61Å; Y82-F97 WeakPolarHBondContact O-CB 3.27Å; Y82-F97 PolarHBondContact O-N 2.74Å; Y82-F200 AromaticContact CD1-CD1 3.62Å; Y82-F200 HydrophobicContact CD1-CD1 3.62Å; Y82-F200 HydrophobicContact CD1-CE1 4.14Å; Y82-F200 HydrophobicContact CD2-CB 4.34Å; Y82-F200 HydrophobicContact CD2-CD1 4.19Å; Y82-F200 WeakPolarHBondContact CD2-O 3.44Å; Y82-F200 AromaticContact CE1-CD1 3.61Å; Y82-F200 HydrophobicContact CE1-CD1 3.61Å; Y82-F200 AromaticContact CE1-CE1 3.89Å; Y82-F200 HydrophobicContact CE1-CE1 3.89Å; Y82-F200 HydrophobicContact CE2-CD1 4.19Å; Y82-F200 HydrophobicContact CG-CB 4.4Å; Y82-F200 AromaticContact CG-CD1 3.89Å; Y82-F200 HydrophobicContact CG-CD1 3.89Å; Y82-F200 AromaticContact CZ-CD1 3.9Å
83	W	96.1	Very high	95.3	Very high	54 Å²	54	32.2 Å²	32.2	21%	0.205	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	135.6	-176.3	-63.6	86.1	0	0	0	110.6	A3 I75 Y76 S78 S81 Y85 P94 T95 P96	A3-W83 HydrophobicContact CB-CB 4.1Å; A3-W83 HydrophobicContact CB-CD2 3.37Å; A3-W83 HydrophobicContact CB-CE3 3.81Å; A3-W83 HydrophobicContact CB-CG 3.5Å; A3-W83 VanDerWaalsContact CB-CG 3.5Å; A3-W83 HydrophobicContact CB-CZ2 4.23Å; A3-W83 HydrophobicContact CB-CZ3 4.39Å; I75-W83 CarbonylContact C-O 3.53Å; I75-W83 VanDerWaalsContact CA-O 3.3Å; I75-W83 WeakPolarHBondContact CA-O 3.47Å; Y76-W83 PolarHBondContact N-O 2.76Å; Y76-W83 PolarHBondContact O-N 3.12Å; S78-W83 PolarHBondContact OG-NE1 2.99Å; S81-W83 PolarHBondContact OG-NE1 2.77Å; W83-Y85 HydrophobicContact CB-CE2 4.45Å; W83-P94 HydrophobicContact CB-CB 4.21Å; W83-P94 HydrophobicContact CE3-CB 4.35Å; W83-P94 HydrophobicContact CE3-CG 4.12Å; W83-T95 CarbonylContact C-O 3.59Å; W83-T95 WeakPolarHBondContact CA-O 3.38Å; W83-P96 HydrophobicContact CE3-CB 4.48Å; W83-P96 HydrophobicContact CE3-CG 4.11Å; W83-P96 HydrophobicContact CH2-CG 4.06Å; W83-P96 HydrophobicContact CZ3-CB 4.35Å; W83-P96 HydrophobicContact CZ3-CG 3.59Å
84	V	97.5	Very high	95.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.7	-178.5	179.6	0	0	0	0	110	F73 L74 I75 D86 P94 T95 F97 Y100	F73-V84 HydrophobicContact CB-CG1 4.3Å; F73-V84 HydrophobicContact CD2-CG1 3.64Å; F73-V84 HydrophobicContact CE2-CG1 4.24Å; F73-V84 HydrophobicContact CG-CG1 4.15Å; L74-V84 CarbonylContact O-C 3.59Å; L74-V84 WeakPolarHBondContact O-CA 3.44Å; I75-V84 HydrophobicContact CG1-CG2 4.25Å; V84-D86 HydrophobicContact CG1-CB 4.07Å; V84-P94 CarbonylContact O-C 3.05Å; V84-P94 VanDerWaalsContact O-CA 3.24Å; V84-P94 WeakPolarHBondContact O-CA 3.3Å; V84-P94 WeakPolarHBondContact O-CB 3.33Å; V84-T95 PolarHBondContact N-O 3Å; V84-T95 PolarHBondContact O-N 2.82Å; V84-F97 HydrophobicContact CG2-CB 4.42Å; V84-F97 HydrophobicContact CG2-CD2 3.84Å; V84-Y100 HydrophobicContact CB-CD1 4.29Å; V84-Y100 HydrophobicContact CB-CD2 3.98Å; V84-Y100 HydrophobicContact CB-CG 3.85Å; V84-Y100 HydrophobicContact CG1-CD1 3.93Å; V84-Y100 HydrophobicContact CG1-CD2 3.59Å; V84-Y100 HydrophobicContact CG1-CE1 3.99Å; V84-Y100 HydrophobicContact CG1-CE2 3.67Å; V84-Y100 HydrophobicContact CG1-CG 3.73Å; V84-Y100 HydrophobicContact CG2-CD1 3.9Å; V84-Y100 HydrophobicContact CG2-CD2 4.42Å; V84-Y100 HydrophobicContact CG2-CG 3.78Å
85	Y	97.3	Very high	95.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	99.3	166.5	-61.5	-105.6	0	0	0	107.7	M4 I6 L25 L74 Y76 W83 F93 P94	M4-Y85 PolarHBondContact O-OH 3.47Å; I6-Y85 HydrophobicContact CD1-CE1 4Å; I6-Y85 HydrophobicContact CG1-CE1 4.5Å; L25-Y85 VanDerWaalsContact CD2-CB 3.46Å; L25-Y85 HydrophobicContact CD2-CD1 4Å; L25-Y85 HydrophobicContact CD2-CG 3.78Å; L74-Y85 HydrophobicContact CD2-CD2 4.18Å; L74-Y85 PolarHBondContact N-O 3.03Å; L74-Y85 PolarHBondContact O-N 2.82Å; Y76-Y85 HydrophobicContact CG-CE2 4.31Å; W83-Y85 HydrophobicContact CB-CE2 4.45Å; Y85-F93 HydrophobicContact CD1-CD1 4.27Å; Y85-F93 AromaticContact CD1-CE1 3.67Å; Y85-F93 HydrophobicContact CD1-CE1 3.67Å; Y85-F93 HydrophobicContact CD1-CE2 4.15Å; Y85-F93 AromaticContact CD1-CZ 3.62Å; Y85-F93 HydrophobicContact CD1-CZ 3.62Å; Y85-F93 HydrophobicContact CE1-CE1 4.32Å; Y85-F93 HydrophobicContact CG-CE2 4.49Å; Y85-F93 HydrophobicContact CG-CZ 4.29Å; Y85-P94 HydrophobicContact CD1-CB 3.95Å; Y85-P94 HydrophobicContact CD2-CB 4Å; Y85-P94 HydrophobicContact CE1-CB 3.73Å; Y85-P94 HydrophobicContact CE1-CG 3.91Å; Y85-P94 HydrophobicContact CE2-CB 3.77Å; Y85-P94 HydrophobicContact CE2-CG 4.3Å; Y85-P94 HydrophobicContact CG-CB 4.07Å
86	D	98	Very high	95	Very high	4 Å²	4	35 Å²	35	2%	0.021	19%	0.192	C	C	.	.			trans	-117.9	114.7	174.1	179	-1.2	0	0	0	108.4	Q55 H71 F73 V84 D88 S89 F93 Y100	Q55-D86 PolarHBondContact NE2-OD2 2.99Å; H71-D86 IonicContact CD2-OD2 3.9Å; H71-D86 IonicContact CE1-OD1 3.63Å; H71-D86 IonicContact NE2-OD1 3.98Å; H71-D86 PolarHBondContact NE2-OD1 3.47Å; H71-D86 IonicContact NE2-OD2 3.86Å; H71-D86 PolarHBondContact NE2-OD2 3.04Å; F73-D86 HydrophobicContact CB-CB 3.93Å; V84-D86 HydrophobicContact CG1-CB 4.07Å; D86-D88 PolarHBondContact O-N 2.87Å; D86-D88 PolarHBondContact OD1-N 3.17Å; D86-S89 PolarHBondContact OD1-N 3.22Å; D86-S89 WeakPolarHBondContact OD2-CB 3.4Å; D86-F93 WeakPolarHBondContact O-CD2 3.42Å; D86-Y100 HydrophobicContact CB-CE2 3.66Å; D86-Y100 WeakPolarHBondContact OD2-CE2 3.48Å; D86-Y100 PolarHBondContact OD2-OH 3.09Å
87	F	97.7	Very high	95.1	Very high	5 Å²	5	33.9 Å²	33.9	2%	0.022	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-20.4	-178.9	-74.4	-92.2	0	0	0	113	K8 L11 Y13 N21 L25 F93	K8-F87 WeakPolarHBondContact CE-O 3.31Å; K8-F87 HydrophobicContact CG-CD1 4.13Å; K8-F87 HydrophobicContact CG-CE1 4.34Å; K8-F87 PolarHBondContact NZ-O 3.03Å; L11-F87 HydrophobicContact CB-CE1 3.72Å; L11-F87 HydrophobicContact CB-CZ 3.89Å; L11-F87 HydrophobicContact CD1-CE1 3.9Å; L11-F87 HydrophobicContact CD1-CZ 3.74Å; L11-F87 HydrophobicContact CG-CE1 4.49Å; L11-F87 HydrophobicContact CG-CZ 4.43Å; Y13-F87 HydrophobicContact CD2-CB 3.55Å; Y13-F87 AromaticContact CD2-CD1 3.74Å; Y13-F87 HydrophobicContact CD2-CD1 3.74Å; Y13-F87 AromaticContact CD2-CG 3.82Å; Y13-F87 HydrophobicContact CD2-CG 3.82Å; Y13-F87 HydrophobicContact CE2-CB 3.58Å; Y13-F87 HydrophobicContact CE2-CG 4.36Å; Y13-F87 HydrophobicContact CG-CD1 4.19Å; N21-F87 HydrophobicContact CB-CD2 3.88Å; N21-F87 HydrophobicContact CB-CE2 4.04Å; N21-F87 HydrophobicContact CB-CG 4.39Å; L25-F87 HydrophobicContact CB-CE2 4.26Å; L25-F87 HydrophobicContact CB-CZ 4.41Å; L25-F87 HydrophobicContact CD2-CE2 4.24Å; F87-F93 HydrophobicContact CD1-CE2 4.31Å; F87-F93 HydrophobicContact CD1-CZ 4.34Å; F87-F93 HydrophobicContact CD2-CE2 4.35Å; F87-F93 HydrophobicContact CE1-CE2 4.49Å; F87-F93 HydrophobicContact CE1-CZ 4.07Å; F87-F93 HydrophobicContact CE2-CZ 4.33Å; F87-F93 HydrophobicContact CG-CE2 4.25Å; F87-F93 HydrophobicContact CZ-CZ 4.08Å
88	D	97.9	Very high	95.1	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.032	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	2.9	-175.6	-64.1	-68.3	0	0	0	112.4	Y13 Q55 V56 H71 D86	Y13-D88 PolarHBondContact OH-OD1 3Å; Q55-D88 CarbonylContact C-O 3.53Å; Q55-D88 WeakPolarHBondContact CA-O 3.41Å; Q55-D88 PolarHBondContact OE1-O 3.25Å; V56-D88 WeakPolarHBondContact CG2-O 3.36Å; V56-D88 PolarHBondContact N-O 3.13Å; H71-D88 IonicContact CE1-OD2 3.9Å; D86-D88 PolarHBondContact O-N 2.87Å; D86-D88 PolarHBondContact OD1-N 3.17Å
89	S	98	Very high	95.5	Very high	7 Å²	7	39.3 Å²	39.3	5%	0.049	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-82	146.7	173.9	-174	0	0	0	0	113.5	A54 D86 L91	A54-S89 CarbonylContact O-C 3.54Å; A54-S89 WeakPolarHBondContact O-CA 3.33Å; D86-S89 PolarHBondContact OD1-N 3.22Å; D86-S89 WeakPolarHBondContact OD2-CB 3.4Å; S89-L91 VanDerWaalsContact OG-CB 3.31Å; S89-L91 WeakPolarHBondContact OG-CB 3.27Å; S89-L91 WeakPolarHBondContact OG-CG 3.47Å; S89-L91 PolarHBondContact OG-N 3.42Å
90	L	97.6	Very high	96.1	Very high	87 Å²	87	33.3 Å²	33.3	46%	0.455	19%	0.187	S	C	.	.	S	Bend	trans	-84.2	-10.9	167.6	-69.3	168.4	0	0	0	112.7	A54 V56 H64	A54-L90 WeakPolarHBondContact O-CB 3.38Å; A54-L90 PolarHBondContact O-N 2.97Å; V56-L90 HydrophobicContact CG2-CD2 3.9Å; V56-L90 HydrophobicContact CG2-CG 4.2Å; H64-L90 HydrophobicContact CB-CD1 3.74Å; H64-L90 VanDerWaalsContact CD2-CD1 3.44Å; H64-L90 WeakPolarHBondContact CD2-CD1 3.3Å; H64-L90 WeakPolarHBondContact ND1-CD1 3.45Å
91	L	97.2	Very high	96.6	Very high	29 Å²	29	30.4 Å²	30.4	15%	0.152	16%	0.164	C	C	.	.	S	Bend	trans	-70.8	163.5	174.6	-56.4	177.8	0	0	0	110.5	A54 S89 T95 Y100 Y103	A54-L91 HydrophobicContact CB-CD1 4.43Å; A54-L91 HydrophobicContact CB-CD2 4.12Å; A54-L91 HydrophobicContact CB-CG 4Å; S89-L91 VanDerWaalsContact OG-CB 3.31Å; S89-L91 WeakPolarHBondContact OG-CB 3.27Å; S89-L91 WeakPolarHBondContact OG-CG 3.47Å; S89-L91 PolarHBondContact OG-N 3.42Å; L91-T95 HydrophobicContact CB-CG2 3.97Å; L91-T95 VanDerWaalsContact CB-OG1 3.24Å; L91-T95 WeakPolarHBondContact CB-OG1 3.32Å; L91-T95 HydrophobicContact CD1-CG2 4.1Å; L91-Y100 HydrophobicContact CD1-CD2 3.92Å; L91-Y100 HydrophobicContact CD1-CG 4.49Å; L91-Y103 HydrophobicContact CD2-CG 4.48Å
92	P	95.3	Very high	96.8	Very high	73 Å²	73	31.9 Å²	31.9	47%	0.474	17%	0.171	S	C	.	.			trans	-53	146.2	178.5	-27.4	35.9	0	0	0	112.6	P94 T95	P92-P94 CarbonylContact C-O 3.58Å; P92-P94 CarbonylContact O-C 3.55Å; P92-T95 WeakPolarHBondContact O-CA 3.37Å; P92-T95 WeakPolarHBondContact O-CB 3.49Å; P92-T95 PolarHBondContact O-N 3.17Å; P92-T95 PolarHBondContact O-OG1 3.16Å
93	F	95.2	Very high	97	Very high	39 Å²	39	36.1 Å²	36.1	17%	0.171	19%	0.188	C	C	.	.	S	Bend	trans	-112.4	110.2	177.8	-173.2	-87.9	0	0	0	109.9	K8 L11 Y85 D86 F87	K8-F93 HydrophobicContact CB-CD1 3.91Å; K8-F93 HydrophobicContact CB-CE1 4.14Å; K8-F93 HydrophobicContact CB-CG 4.37Å; K8-F93 HydrophobicContact CD-CB 4.47Å; K8-F93 HydrophobicContact CD-CD2 4.29Å; K8-F93 HydrophobicContact CD-CG 4.19Å; K8-F93 HydrophobicContact CG-CD1 4.29Å; K8-F93 HydrophobicContact CG-CE1 4.31Å; K8-F93 HydrophobicContact CG-CG 4.44Å; K8-F93 HydrophobicContact CG-CZ 4.48Å; L11-F93 HydrophobicContact CD1-CE1 3.6Å; L11-F93 HydrophobicContact CD1-CZ 3.72Å; Y85-F93 HydrophobicContact CD1-CD1 4.27Å; Y85-F93 AromaticContact CD1-CE1 3.67Å; Y85-F93 HydrophobicContact CD1-CE1 3.67Å; Y85-F93 HydrophobicContact CD1-CE2 4.15Å; Y85-F93 AromaticContact CD1-CZ 3.62Å; Y85-F93 HydrophobicContact CD1-CZ 3.62Å; Y85-F93 HydrophobicContact CE1-CE1 4.32Å; Y85-F93 HydrophobicContact CG-CE2 4.49Å; Y85-F93 HydrophobicContact CG-CZ 4.29Å; D86-F93 WeakPolarHBondContact O-CD2 3.42Å; F87-F93 HydrophobicContact CD1-CE2 4.31Å; F87-F93 HydrophobicContact CD1-CZ 4.34Å; F87-F93 HydrophobicContact CD2-CE2 4.35Å; F87-F93 HydrophobicContact CE1-CE2 4.49Å; F87-F93 HydrophobicContact CE1-CZ 4.07Å; F87-F93 HydrophobicContact CE2-CZ 4.33Å; F87-F93 HydrophobicContact CG-CE2 4.25Å; F87-F93 HydrophobicContact CZ-CZ 4.08Å
94	P	95.9	Very high	97	Very high	10 Å²	10	33.6 Å²	33.6	7%	0.065	18%	0.179	C	C	.	.	S	Bend	cis	-75.6	158.9	-6	32.7	-35.8	0	0	0	113.7	A3 W83 V84 Y85 P92	A3-P94 HydrophobicContact CB-CG 3.78Å; W83-P94 HydrophobicContact CB-CB 4.21Å; W83-P94 HydrophobicContact CE3-CB 4.35Å; W83-P94 HydrophobicContact CE3-CG 4.12Å; V84-P94 CarbonylContact O-C 3.05Å; V84-P94 VanDerWaalsContact O-CA 3.24Å; V84-P94 WeakPolarHBondContact O-CA 3.3Å; V84-P94 WeakPolarHBondContact O-CB 3.33Å; Y85-P94 HydrophobicContact CD1-CB 3.95Å; Y85-P94 HydrophobicContact CD2-CB 4Å; Y85-P94 HydrophobicContact CE1-CB 3.73Å; Y85-P94 HydrophobicContact CE1-CG 3.91Å; Y85-P94 HydrophobicContact CE2-CB 3.77Å; Y85-P94 HydrophobicContact CE2-CG 4.3Å; Y85-P94 HydrophobicContact CG-CB 4.07Å; P92-P94 CarbonylContact C-O 3.58Å; P92-P94 CarbonylContact O-C 3.55Å
95	T	95.8	Very high	97.1	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.018	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	136	175.9	-51.8	0	0	0	0	109.8	W83 V84 L91 P92 F97 Q99	W83-T95 CarbonylContact C-O 3.59Å; W83-T95 WeakPolarHBondContact CA-O 3.38Å; V84-T95 PolarHBondContact N-O 3Å; V84-T95 PolarHBondContact O-N 2.82Å; L91-T95 HydrophobicContact CB-CG2 3.97Å; L91-T95 VanDerWaalsContact CB-OG1 3.24Å; L91-T95 WeakPolarHBondContact CB-OG1 3.32Å; L91-T95 HydrophobicContact CD1-CG2 4.1Å; P92-T95 WeakPolarHBondContact O-CA 3.37Å; P92-T95 WeakPolarHBondContact O-CB 3.49Å; P92-T95 PolarHBondContact O-N 3.17Å; P92-T95 PolarHBondContact O-OG1 3.16Å; T95-F97 PolarHBondContact O-N 3.46Å; T95-Q99 HydrophobicContact CG2-CB 3.78Å; T95-Q99 HydrophobicContact CG2-CG 3.82Å
96	P	95.8	Very high	97.1	Very high	45 Å²	45	37.7 Å²	37.7	29%	0.292	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	135.6	166	-22	30.9	0	0	0	111.2	W83 V98 Q99 Y100	W83-P96 HydrophobicContact CE3-CB 4.48Å; W83-P96 HydrophobicContact CE3-CG 4.11Å; W83-P96 HydrophobicContact CH2-CG 4.06Å; W83-P96 HydrophobicContact CZ3-CB 4.35Å; W83-P96 HydrophobicContact CZ3-CG 3.59Å; P96-V98 VanDerWaalsContact C-N 3.28Å; P96-V98 PolarHBondContact O-N 3.33Å; P96-Q99 HydrophobicContact CB-CB 4.32Å; P96-Q99 WeakPolarHBondContact O-CA 3.29Å; P96-Q99 WeakPolarHBondContact O-CB 3.48Å; P96-Q99 PolarHBondContact O-N 3.16Å; P96-Y100 PolarHBondContact O-N 3.3Å
97	F	97.1	Very high	97	Very high	3 Å²	3	43 Å²	43	1%	0.013	22%	0.219	C	C	.	.	H	α-helix	trans	-54.8	-42.5	-174.6	178.5	-94.8	0	0	0	112.9	I75 Y82 V84 T95 Q99 Y100 L101 F196 F200	I75-F97 HydrophobicContact CD1-CD2 3.85Å; I75-F97 HydrophobicContact CD1-CE2 3.71Å; I75-F97 HydrophobicContact CG1-CD2 4.48Å; Y82-F97 WeakPolarHBondContact O-CB 3.27Å; Y82-F97 PolarHBondContact O-N 2.74Å; V84-F97 HydrophobicContact CG2-CB 4.42Å; V84-F97 HydrophobicContact CG2-CD2 3.84Å; T95-F97 PolarHBondContact O-N 3.46Å; F97-Q99 PolarHBondContact O-N 3.46Å; F97-Y100 PolarHBondContact O-N 3Å; F97-Y100 VanDerWaalsContact O-N 3.14Å; F97-L101 HydrophobicContact CE1-CB 4.28Å; F97-L101 HydrophobicContact CE1-CD2 4.11Å; F97-L101 VanDerWaalsContact O-CB 3.3Å; F97-L101 WeakPolarHBondContact O-CB 3.49Å; F97-L101 PolarHBondContact O-N 2.93Å; F97-F196 AromaticContact CE2-CE1 3.8Å; F97-F196 HydrophobicContact CE2-CE1 3.8Å; F97-F196 AromaticContact CE2-CZ 3.96Å; F97-F196 HydrophobicContact CE2-CZ 3.96Å; F97-F196 HydrophobicContact CZ-CD1 4.36Å; F97-F196 AromaticContact CZ-CE1 3.82Å; F97-F196 HydrophobicContact CZ-CE1 3.82Å; F97-F196 HydrophobicContact CZ-CZ 4.36Å; F97-F200 HydrophobicContact CD1-CB 3.76Å; F97-F200 WeakPolarHBondContact CD1-O 3.23Å; F97-F200 HydrophobicContact CD2-CB 3.81Å; F97-F200 HydrophobicContact CE1-CB 3.52Å; F97-F200 HydrophobicContact CE2-CB 3.58Å; F97-F200 HydrophobicContact CE2-CD2 4.39Å; F97-F200 HydrophobicContact CE2-CG 4.27Å; F97-F200 HydrophobicContact CG-CB 3.9Å; F97-F200 HydrophobicContact CZ-CB 3.44Å; F97-F200 VanDerWaalsContact CZ-CB 3.44Å; F97-F200 HydrophobicContact CZ-CD2 4.5Å; F97-F200 HydrophobicContact CZ-CG 4.4Å
98	V	95.6	Very high	97	Very high	86 Å²	86	43.5 Å²	43.5	52%	0.521	22%	0.222	S	C	.	.	H	α-helix	trans	-58.4	-37.5	177.3	178.6	0	0	0	0	111.9	P96 T102	P96-V98 VanDerWaalsContact C-N 3.28Å; P96-V98 PolarHBondContact O-N 3.33Å; V98-T102 WeakPolarHBondContact O-CB 3.43Å; V98-T102 PolarHBondContact O-N 3Å; V98-T102 PolarHBondContact O-OG1 3.36Å
99	Q	97.2	Very high	96.9	Very high	67 Å²	67	48.4 Å²	48.4	31%	0.313	25%	0.252	S	S	.	.	H	α-helix	trans	-72.8	-42.4	176.5	-177.9	179.1	7.2	0	0	111.2	T95 P96 F97 L101 T102 Y103	T95-Q99 HydrophobicContact CG2-CB 3.78Å; T95-Q99 HydrophobicContact CG2-CG 3.82Å; P96-Q99 HydrophobicContact CB-CB 4.32Å; P96-Q99 WeakPolarHBondContact O-CA 3.29Å; P96-Q99 WeakPolarHBondContact O-CB 3.48Å; P96-Q99 PolarHBondContact O-N 3.16Å; F97-Q99 PolarHBondContact O-N 3.46Å; Q99-L101 VanDerWaalsContact C-N 3.32Å; Q99-L101 PolarHBondContact O-N 2.95Å; Q99-T102 PolarHBondContact O-N 2.94Å; Q99-Y103 HydrophobicContact CG-CD2 3.68Å; Q99-Y103 HydrophobicContact CG-CE2 3.93Å; Q99-Y103 WeakPolarHBondContact O-CD2 3.36Å; Q99-Y103 PolarHBondContact O-N 3.03Å
100	Y	98.2	Very high	96.9	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.2	-39.7	176	-169.3	-93.2	0	0	0	111.8	F73 V84 D86 L91 P96 F97 G104 L105	F73-Y100 HydrophobicContact CD1-CE1 4.41Å; F73-Y100 HydrophobicContact CE1-CE1 4.15Å; F73-Y100 HydrophobicContact CE2-CE1 4.33Å; F73-Y100 HydrophobicContact CZ-CE1 4.1Å; V84-Y100 HydrophobicContact CB-CD1 4.29Å; V84-Y100 HydrophobicContact CB-CD2 3.98Å; V84-Y100 HydrophobicContact CB-CG 3.85Å; V84-Y100 HydrophobicContact CG1-CD1 3.93Å; V84-Y100 HydrophobicContact CG1-CD2 3.59Å; V84-Y100 HydrophobicContact CG1-CE1 3.99Å; V84-Y100 HydrophobicContact CG1-CE2 3.67Å; V84-Y100 HydrophobicContact CG1-CG 3.73Å; V84-Y100 HydrophobicContact CG2-CD1 3.9Å; V84-Y100 HydrophobicContact CG2-CD2 4.42Å; V84-Y100 HydrophobicContact CG2-CG 3.78Å; D86-Y100 HydrophobicContact CB-CE2 3.66Å; D86-Y100 WeakPolarHBondContact OD2-CE2 3.48Å; D86-Y100 PolarHBondContact OD2-OH 3.09Å; L91-Y100 HydrophobicContact CD1-CD2 3.92Å; L91-Y100 HydrophobicContact CD1-CG 4.49Å; P96-Y100 PolarHBondContact O-N 3.3Å; F97-Y100 PolarHBondContact O-N 3Å; F97-Y100 VanDerWaalsContact O-N 3.14Å; Y100-G104 VanDerWaalsContact O-CA 3.27Å; Y100-G104 WeakPolarHBondContact O-CA 3.06Å; Y100-G104 PolarHBondContact O-N 3.13Å; Y100-L105 HydrophobicContact CD1-CD1 4.03Å; Y100-L105 HydrophobicContact CD1-CG 3.85Å; Y100-L105 HydrophobicContact CE1-CD1 4.13Å; Y100-L105 HydrophobicContact CE1-CD2 3.93Å; Y100-L105 HydrophobicContact CE1-CG 3.7Å; Y100-L105 PolarHBondContact O-N 3.37Å
101	L	97.4	Very high	96.9	Very high	29 Å²	29	47.9 Å²	47.9	15%	0.152	25%	0.251	C	S	.	.	I	π-helix	trans	-60.4	-45	172.2	174.3	58.6	0	0	0	111.8	F97 Q99 L105 R106 F197	F97-L101 HydrophobicContact CE1-CB 4.28Å; F97-L101 HydrophobicContact CE1-CD2 4.11Å; F97-L101 VanDerWaalsContact O-CB 3.3Å; F97-L101 WeakPolarHBondContact O-CB 3.49Å; F97-L101 PolarHBondContact O-N 2.93Å; Q99-L101 VanDerWaalsContact C-N 3.32Å; Q99-L101 PolarHBondContact O-N 2.95Å; L101-L105 HydrophobicContact CD1-CB 4.27Å; L101-L105 HydrophobicContact CD1-CD1 4.36Å; L101-R106 WeakPolarHBondContact O-CA 3.38Å; L101-R106 PolarHBondContact O-N 3.01Å; L101-F197 HydrophobicContact CD1-CD1 3.54Å; L101-F197 HydrophobicContact CD1-CD2 3.89Å; L101-F197 HydrophobicContact CD1-CE1 3.24Å; L101-F197 HydrophobicContact CD1-CE2 3.57Å; L101-F197 HydrophobicContact CD1-CG 3.89Å; L101-F197 HydrophobicContact CD1-CZ 3.24Å; L101-F197 HydrophobicContact CD2-CD1 4.39Å; L101-F197 HydrophobicContact CD2-CD2 4.39Å; L101-F197 HydrophobicContact CD2-CG 4.19Å
102	T	97	Very high	96.9	Very high	75 Å²	75	49.1 Å²	49.1	46%	0.46	26%	0.262	S	S	.	.	I	π-helix	trans	-69.2	-40.4	-176.2	-60	0	0	0	0	112.7	V98 Q99 R106	V98-T102 WeakPolarHBondContact O-CB 3.43Å; V98-T102 PolarHBondContact O-N 3Å; V98-T102 PolarHBondContact O-OG1 3.36Å; Q99-T102 PolarHBondContact O-N 2.94Å; T102-R106 WeakPolarHBondContact O-CG 3.47Å
103	Y	98	Very high	97	Very high	137 Å²	137	53.4 Å²	53.4	54%	0.537	28%	0.276	S	S	.	.	I	π-helix	trans	-111.1	-29.5	-170.4	-61.6	-69.4	0	0	0	115	F53 L91 Q99	F53-Y103 VanDerWaalsContact CB-O 3.26Å; F53-Y103 WeakPolarHBondContact CB-O 3.49Å; L91-Y103 HydrophobicContact CD2-CG 4.48Å; Q99-Y103 HydrophobicContact CG-CD2 3.68Å; Q99-Y103 HydrophobicContact CG-CE2 3.93Å; Q99-Y103 WeakPolarHBondContact O-CD2 3.36Å; Q99-Y103 PolarHBondContact O-N 3.03Å
104	G	98	Very high	97.1	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.297	C	S	.	.	I	π-helix	trans	-95.5	-55.6	-177	0	0	0	0	0	112.6	F53 Y100	F53-G104 PolarHBondContact N-O 3.16Å; F53-G104 WeakPolarHBondContact O-CA 3.46Å; Y100-G104 VanDerWaalsContact O-CA 3.27Å; Y100-G104 WeakPolarHBondContact O-CA 3.06Å; Y100-G104 PolarHBondContact O-N 3.13Å
105	L	98	Very high	97.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.3	C	S	.	.	I	π-helix	trans	-76.9	-62.5	178.3	-62.6	173.9	0	0	0	110.8	L43 L52 Y100 L101 R117 Y119 F196 F197	L43-L105 HydrophobicContact CD1-CD2 3.87Å; L52-L105 HydrophobicContact CD2-CD2 3.74Å; Y100-L105 HydrophobicContact CD1-CD1 4.03Å; Y100-L105 HydrophobicContact CD1-CG 3.85Å; Y100-L105 HydrophobicContact CE1-CD1 4.13Å; Y100-L105 HydrophobicContact CE1-CD2 3.93Å; Y100-L105 HydrophobicContact CE1-CG 3.7Å; Y100-L105 PolarHBondContact O-N 3.37Å; L101-L105 HydrophobicContact CD1-CB 4.27Å; L101-L105 HydrophobicContact CD1-CD1 4.36Å; L105-R117 PolarHBondContact O-NH1 2.58Å; L105-R117 PolarHBondContact O-NH2 2.99Å; L105-Y119 HydrophobicContact CD1-CE1 4.25Å; L105-Y119 HydrophobicContact CD2-CE1 4.22Å; L105-F196 HydrophobicContact CD1-CE1 3.81Å; L105-F197 HydrophobicContact CD1-CE1 4.28Å
106	R	97.3	Very high	97.3	Very high	87 Å²	87	61 Å²	61	33%	0.328	31%	0.311	S	S	.	.			trans	57.3	168.8	-162.3	-54.4	170.9	62.7	-164.8	-0.6	111.6	F53 L101 T102 V110 R117	F53-R106 HydrophobicContact CD2-CB 4.44Å; F53-R106 HydrophobicContact CD2-CG 4.14Å; F53-R106 HydrophobicContact CE2-CB 4.43Å; F53-R106 HydrophobicContact CE2-CG 4.46Å; L101-R106 WeakPolarHBondContact O-CA 3.38Å; L101-R106 PolarHBondContact O-N 3.01Å; T102-R106 WeakPolarHBondContact O-CG 3.47Å; R106-V110 HydrophobicContact CB-CG2 3.98Å; R106-R117 PolarHBondContact O-NH2 2.85Å
107	Q	96.8	Very high	97.4	Very high	116 Å²	116	59.1 Å²	59.1	54%	0.542	30%	0.298	S	S	.	.			trans	-70.3	145.7	174.3	-67.1	175.1	57.5	0	0	110.8	T109 V110 E193 F197	Q107-T109 WeakPolarHBondContact CB-OG1 3.12Å; Q107-T109 PolarHBondContact O-N 2.84Å; Q107-T109 VanDerWaalsContact O-N 3.13Å; Q107-V110 WeakPolarHBondContact O-CG2 3.46Å; Q107-V110 PolarHBondContact O-N 3.42Å; Q107-V110 VanDerWaalsContact O-N 3.12Å; Q107-E193 WeakPolarHBondContact CA-OE2 3.45Å; Q107-F197 HydrophobicContact CG-CE2 4.17Å
108	N	97.2	Very high	97.4	Very high	15 Å²	15	60.8 Å²	60.8	8%	0.08	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-57.1	-27	176.9	-84.4	-18.9	0	0	0	111.7	V110 L111 H116 R117 E193	N108-V110 PolarHBondContact O-N 2.83Å; N108-L111 WeakPolarHBondContact O-CB 3.25Å; N108-L111 PolarHBondContact O-N 2.97Å; N108-H116 HydrophobicContact CB-CB 4.29Å; N108-H116 PolarHBondContact O-CD2 2.82Å; N108-H116 PolarHBondContact O-NE2 2.98Å; N108-R117 PolarHBondContact ND2-O 3.14Å; N108-R117 VanDerWaalsContact ND2-O 3.13Å; N108-R117 VanDerWaalsContact OD1-CZ 3.23Å; N108-R117 PolarHBondContact OD1-N 2.75Å; N108-R117 PolarHBondContact OD1-NE 3.05Å; N108-R117 PolarHBondContact OD1-NH2 2.72Å; N108-E193 WeakPolarHBondContact CB-OE2 3.31Å; N108-E193 PolarHBondContact N-OE1 3.42Å; N108-E193 PolarHBondContact N-OE2 2.85Å
109	T	97	Very high	97.5	Very high	108 Å²	108	56.7 Å²	56.7	66%	0.663	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-59.2	-14.7	176.3	54.8	0	0	0	0	114.8	Q107	Q107-T109 WeakPolarHBondContact CB-OG1 3.12Å; Q107-T109 PolarHBondContact O-N 2.84Å; Q107-T109 VanDerWaalsContact O-N 3.13Å
110	V	97.3	Very high	97.5	Very high	62 Å²	62	53.7 Å²	53.7	38%	0.376	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-87.5	-5.6	173.8	-45.8	0	0	0	0	113.4	F53 R106 Q107 N108	F53-V110 HydrophobicContact CE2-CG2 3.82Å; F53-V110 HydrophobicContact CZ-CG2 3.98Å; R106-V110 HydrophobicContact CB-CG2 3.98Å; Q107-V110 WeakPolarHBondContact O-CG2 3.46Å; Q107-V110 PolarHBondContact O-N 3.42Å; Q107-V110 VanDerWaalsContact O-N 3.12Å; N108-V110 PolarHBondContact O-N 2.83Å
111	L	97.4	Very high	97.5	Very high	22 Å²	22	53.9 Å²	53.9	12%	0.115	27%	0.272	C	S	.	.	S	Bend	trans	-113.8	158.7	-178.4	-58.5	179.3	0	0	0	110.5	F53 F65 N108 L115 H116	F53-L111 HydrophobicContact CE2-CD2 3.76Å; F53-L111 HydrophobicContact CZ-CD2 3.71Å; F65-L111 HydrophobicContact CE2-CD2 3.56Å; F65-L111 HydrophobicContact CZ-CD2 4.04Å; N108-L111 WeakPolarHBondContact O-CB 3.25Å; N108-L111 PolarHBondContact O-N 2.97Å; L111-L115 HydrophobicContact CB-CB 4.23Å; L111-L115 HydrophobicContact CD1-CB 4.38Å; L111-L115 WeakPolarHBondContact CD1-O 3.5Å; L111-H116 PolarHBondContact O-NE2 2.79Å
112	S	97.3	Very high	97.5	Very high	54 Å²	54	52.5 Å²	52.5	38%	0.378	27%	0.265	S	S	.	.			trans	-63.6	150.1	163	55.5	0	0	0	0	110.3	E114 L115 H116	S112-E114 PolarHBondContact O-N 2.9Å; S112-E114 VanDerWaalsContact O-N 3.15Å; S112-L115 PolarHBondContact O-N 3.35Å; S112-L115 WeakPolarHBondContact OG-CG 3.41Å; S112-H116 PolarHBondContact O-CD2 3.12Å; S112-H116 PolarHBondContact O-N 3.16Å
113	E	97	Very high	97.4	Very high	164 Å²	164	51.2 Å²	51.2	77%	0.766	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-55.1	-34.7	-177.7	-66.1	-176.1	170.5	0	0	112.7	L115 H116	E113-L115 PolarHBondContact O-N 2.94Å; E113-L115 VanDerWaalsContact O-N 3.15Å; E113-H116 WeakPolarHBondContact O-CB 3.32Å; E113-H116 PolarHBondContact O-N 3.24Å; E113-H116 VanDerWaalsContact O-N 3.15Å
114	E	97.6	Very high	97.4	Very high	133 Å²	133	44.8 Å²	44.8	62%	0.621	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-61.2	-24.9	178.4	-21.5	178.5	-139.3	0	0	113.1	N45 N47 S112	N45-E114 PolarHBondContact ND2-O 3.46Å; N47-E114 WeakPolarHBondContact ND2-CA 3.4Å; N47-E114 PolarHBondContact ND2-O 3.22Å; N47-E114 VanDerWaalsContact ND2-O 3.12Å; S112-E114 PolarHBondContact O-N 2.9Å; S112-E114 VanDerWaalsContact O-N 3.15Å
115	L	98.1	Very high	97.3	Very high	22 Å²	22	46.3 Å²	46.3	12%	0.115	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-103.7	3	-176.7	-59.5	-178	0	0	0	113.4	S49 G51 F65 I67 L111 S112 E113	S49-L115 WeakPolarHBondContact O-CA 3.39Å; G51-L115 PolarHBondContact N-O 2.86Å; G51-L115 VanDerWaalsContact N-O 3.13Å; F65-L115 HydrophobicContact CZ-CD1 4.04Å; I67-L115 HydrophobicContact CD1-CD1 4.02Å; I67-L115 HydrophobicContact CD1-CD2 4.06Å; I67-L115 HydrophobicContact CG1-CD1 4.28Å; I67-L115 HydrophobicContact CG1-CD2 4.21Å; I67-L115 HydrophobicContact CG2-CD2 3.99Å; L111-L115 HydrophobicContact CB-CB 4.23Å; L111-L115 HydrophobicContact CD1-CB 4.38Å; L111-L115 WeakPolarHBondContact CD1-O 3.5Å; S112-L115 PolarHBondContact O-N 3.35Å; S112-L115 WeakPolarHBondContact OG-CG 3.41Å; E113-L115 PolarHBondContact O-N 2.94Å; E113-L115 VanDerWaalsContact O-N 3.15Å
116	H	98	Very high	97.1	Very high	56 Å²	56	48.2 Å²	48.2	26%	0.259	25%	0.253	S	S	.	.			trans	-62.2	139.4	177.9	-75	-169	0	0	0	110.7	N45 N108 L111 S112 E113	N45-H116 WeakPolarHBondContact CB-O 3.42Å; N45-H116 PolarHBondContact ND2-O 3.33Å; N108-H116 HydrophobicContact CB-CB 4.29Å; N108-H116 PolarHBondContact O-CD2 2.82Å; N108-H116 PolarHBondContact O-NE2 2.98Å; L111-H116 PolarHBondContact O-NE2 2.79Å; S112-H116 PolarHBondContact O-CD2 3.12Å; S112-H116 PolarHBondContact O-N 3.16Å; E113-H116 WeakPolarHBondContact O-CB 3.32Å; E113-H116 PolarHBondContact O-N 3.24Å; E113-H116 VanDerWaalsContact O-N 3.15Å
117	R	97.7	Very high	97.2	Very high	5 Å²	5	44.1 Å²	44.1	2%	0.019	24%	0.237	C	C	.	.			trans	-92.7	140.5	179.8	-63.8	139.4	-66.6	-160.4	21.6	110.9	L43 I50 G51 L105 R106 N108 Y119 E193	L43-R117 HydrophobicContact CD2-CB 4.45Å; I50-R117 HydrophobicContact CB-CG 3.71Å; I50-R117 HydrophobicContact CD1-CG 4.41Å; I50-R117 HydrophobicContact CG2-CB 4.4Å; I50-R117 HydrophobicContact CG2-CG 3.83Å; G51-R117 VanDerWaalsContact O-CD 3.31Å; G51-R117 WeakPolarHBondContact O-CD 3.38Å; G51-R117 PolarHBondContact O-NH1 2.95Å; L105-R117 PolarHBondContact O-NH1 2.58Å; L105-R117 PolarHBondContact O-NH2 2.99Å; R106-R117 PolarHBondContact O-NH2 2.85Å; N108-R117 PolarHBondContact ND2-O 3.14Å; N108-R117 VanDerWaalsContact ND2-O 3.13Å; N108-R117 VanDerWaalsContact OD1-CZ 3.23Å; N108-R117 PolarHBondContact OD1-N 2.75Å; N108-R117 PolarHBondContact OD1-NE 3.05Å; N108-R117 PolarHBondContact OD1-NH2 2.72Å; R117-Y119 HydrophobicContact CB-CE2 4.09Å; R117-Y119 WeakPolarHBondContact O-CE2 3.29Å; R117-E193 IonicContact NH2-OE2 3.41Å
118	S	96.9	Very high	97.1	Very high	38 Å²	38	38.8 Å²	38.8	27%	0.266	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	154.8	157.9	-58.6	0	0	0	0	109.5	L43 S44	L43-S118 WeakPolarHBondContact CA-O 3.32Å; S44-S118 PolarHBondContact N-O 3.04Å; S44-S118 WeakPolarHBondContact O-CB 3.19Å; S44-S118 PolarHBondContact O-N 2.65Å
119	Y	97.8	Very high	97.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	104.4	-169.3	-57.3	-98.4	0	0	0	110.2	V41 L43 L105 R117 V190 L191 E193 F196	V41-Y119 HydrophobicContact CG1-CD1 4.38Å; L43-Y119 HydrophobicContact CD2-CD1 3.08Å; L43-Y119 HydrophobicContact CD2-CE1 3.26Å; L43-Y119 HydrophobicContact CD2-CG 3.91Å; L105-Y119 HydrophobicContact CD1-CE1 4.25Å; L105-Y119 HydrophobicContact CD2-CE1 4.22Å; R117-Y119 HydrophobicContact CB-CE2 4.09Å; R117-Y119 WeakPolarHBondContact O-CE2 3.29Å; Y119-V190 CarbonylContact O-C 3.54Å; Y119-V190 WeakPolarHBondContact O-CA 3.41Å; Y119-L191 PolarHBondContact N-O 3.02Å; Y119-L191 PolarHBondContact O-N 2.99Å; Y119-E193 HydrophobicContact CE2-CB 4.07Å; Y119-E193 HydrophobicContact CE2-CG 4.35Å; Y119-F196 HydrophobicContact CD1-CB 4.27Å; Y119-F196 AromaticContact CD1-CD1 3.3Å; Y119-F196 HydrophobicContact CD1-CD1 3.3Å; Y119-F196 AromaticContact CD1-CD2 3.82Å; Y119-F196 HydrophobicContact CD1-CD2 3.82Å; Y119-F196 AromaticContact CD1-CE1 3.45Å; Y119-F196 HydrophobicContact CD1-CE1 3.45Å; Y119-F196 VanDerWaalsContact CD1-CE1 3.45Å; Y119-F196 AromaticContact CD1-CE2 3.92Å; Y119-F196 HydrophobicContact CD1-CE2 3.92Å; Y119-F196 AromaticContact CD1-CG 3.53Å; Y119-F196 HydrophobicContact CD1-CG 3.53Å; Y119-F196 AromaticContact CD1-CZ 3.75Å; Y119-F196 HydrophobicContact CD1-CZ 3.75Å; Y119-F196 HydrophobicContact CD2-CB 4.05Å; Y119-F196 HydrophobicContact CD2-CD1 4.35Å; Y119-F196 HydrophobicContact CD2-CG 4.2Å; Y119-F196 AromaticContact CE1-CD1 3.5Å; Y119-F196 HydrophobicContact CE1-CD1 3.5Å; Y119-F196 VanDerWaalsContact CE1-CD1 3.5Å; Y119-F196 AromaticContact CE1-CE1 3.58Å; Y119-F196 HydrophobicContact CE1-CE1 3.58Å; Y119-F196 HydrophobicContact CE1-CG 4.17Å; Y119-F196 HydrophobicContact CE1-CZ 4.27Å; Y119-F196 HydrophobicContact CG-CB 3.87Å; Y119-F196 AromaticContact CG-CD1 3.8Å; Y119-F196 HydrophobicContact CG-CD1 3.8Å; Y119-F196 AromaticContact CG-CD2 3.9Å; Y119-F196 HydrophobicContact CG-CD2 3.9Å; Y119-F196 HydrophobicContact CG-CE1 4.35Å; Y119-F196 HydrophobicContact CG-CE2 4.4Å; Y119-F196 AromaticContact CG-CG 3.58Å; Y119-F196 HydrophobicContact CG-CG 3.58Å
120	R	97.8	Very high	97.1	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.015	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	122.4	168.8	178.4	-179.8	-74.6	-73.2	-1.8	109.6	V41 F42 I122 F168 Y169 D171 M172 S174 Y187 G188 T189 V190	V41-R120 CarbonylContact C-O 3.54Å; V41-R120 WeakPolarHBondContact CA-O 3.29Å; F42-R120 HydrophobicContact CB-CB 4.2Å; F42-R120 PolarHBondContact N-O 2.94Å; F42-R120 PolarHBondContact O-N 2.9Å; R120-I122 HydrophobicContact CG-CD1 3.85Å; R120-I122 HydrophobicContact CG-CG1 4.16Å; R120-F168 PolarHBondContact NE-O 3.41Å; R120-Y169 WeakPolarHBondContact CD-O 3.46Å; R120-Y169 PolarHBondContact NE-O 3.24Å; R120-D171 PolarHBondContact NE-O 2.76Å; R120-D171 VanDerWaalsContact NE-O 3.16Å; R120-D171 PolarHBondContact NH2-O 3.36Å; R120-M172 HydrophobicContact CB-CE 3.84Å; R120-M172 HydrophobicContact CB-SD 3.84Å; R120-S174 PolarHBondContact NH2-O 3.46Å; R120-Y187 WeakPolarHBondContact CD-O 3.44Å; R120-Y187 PolarHBondContact NH1-O 3.01Å; R120-G188 PolarHBondContact NH1-O 3.4Å; R120-T189 WeakPolarHBondContact CA-O 3.34Å; R120-V190 HydrophobicContact CB-CG2 4.34Å; R120-V190 VanDerWaalsContact NH2-CG2 3.34Å
121	V	97.4	Very high	97.1	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.024	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	117.9	-176.7	-177.4	0	0	0	0	109.9	Y39 V40 V41 G188 T189 L191 F196 F200	Y39-V121 HydrophobicContact CD1-CG1 3.99Å; Y39-V121 HydrophobicContact CG-CG1 4.39Å; V40-V121 WeakPolarHBondContact O-CA 3.32Å; V41-V121 HydrophobicContact CG2-CG2 4.49Å; V121-G188 CarbonylContact O-C 3.52Å; V121-G188 WeakPolarHBondContact O-CA 3.44Å; V121-T189 PolarHBondContact N-O 2.59Å; V121-T189 PolarHBondContact O-N 3.3Å; V121-L191 HydrophobicContact CB-CD1 4.41Å; V121-L191 HydrophobicContact CG2-CD1 3.71Å; V121-L191 HydrophobicContact CG2-CG 4.18Å; V121-F196 HydrophobicContact CG2-CD2 3.72Å; V121-F196 HydrophobicContact CG2-CE2 3.87Å; V121-F200 HydrophobicContact CG1-CE2 4.16Å; V121-F200 HydrophobicContact CG1-CZ 3.78Å; V121-F200 HydrophobicContact CG2-CE2 4.07Å
122	I	97.1	Very high	97.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.7	-176.5	-46.7	91.2	0	0	0	109.3	Y39 V40 F42 R120 G124 D126 Y169 Y187	Y39-I122 CarbonylContact C-O 3.55Å; Y39-I122 VanDerWaalsContact CA-O 3.3Å; Y39-I122 WeakPolarHBondContact CA-O 3.39Å; V40-I122 HydrophobicContact CB-CB 4.38Å; V40-I122 HydrophobicContact CB-CD1 4.27Å; V40-I122 HydrophobicContact CG1-CD1 4.36Å; V40-I122 PolarHBondContact N-O 3.03Å; V40-I122 WeakPolarHBondContact O-CD1 3.46Å; V40-I122 PolarHBondContact O-N 3.22Å; F42-I122 HydrophobicContact CD2-CD1 3.61Å; F42-I122 HydrophobicContact CE2-CD1 4.16Å; R120-I122 HydrophobicContact CG-CD1 3.85Å; R120-I122 HydrophobicContact CG-CG1 4.16Å; I122-G124 PolarHBondContact O-N 2.9Å; I122-D126 HydrophobicContact CG2-CB 4.12Å; I122-Y169 HydrophobicContact CD1-CD1 4.08Å; I122-Y169 HydrophobicContact CG1-CD1 3.98Å; I122-Y169 HydrophobicContact CG1-CE1 4.12Å; I122-Y169 HydrophobicContact CG2-CE1 4.42Å; I122-Y187 WeakPolarHBondContact CG1-O 3.37Å
123	P	96.1	Very high	97.1	Very high	49 Å²	49	30.6 Å²	30.6	32%	0.318	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	135.1	167.6	-23.7	35.5	0	0	0	110.7	V125 D126 Y127	P123-V125 PolarHBondContact O-N 2.54Å; P123-V125 VanDerWaalsContact O-N 3.16Å; P123-D126 HydrophobicContact CB-CB 4.43Å; P123-D126 WeakPolarHBondContact CB-OD2 3.26Å; P123-D126 VanDerWaalsContact CG-OD2 3.3Å; P123-D126 WeakPolarHBondContact CG-OD2 3.27Å; P123-D126 PolarHBondContact O-N 3.12Å; P123-Y127 PolarHBondContact O-N 2.71Å
124	G	97.1	Very high	97.2	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-58.7	-32.4	-175.6	0	0	0	0	0	113.4	G38 I122 L128	G38-G124 WeakPolarHBondContact O-CA 3.4Å; G38-G124 PolarHBondContact O-N 2.94Å; I122-G124 PolarHBondContact O-N 2.9Å; G124-L128 WeakPolarHBondContact O-CB 3.26Å; G124-L128 PolarHBondContact O-N 3.16Å
125	V	95.6	Very high	97.2	Very high	33 Å²	33	19.9 Å²	19.9	20%	0.2	11%	0.107	C	C	.	.	H	α-helix	trans	-62.3	-46	173.8	179.6	0	0	0	0	111.4	L35 P123 L128 N129	L35-V125 HydrophobicContact CB-CG2 4.45Å; L35-V125 HydrophobicContact CD2-CB 4.39Å; L35-V125 HydrophobicContact CD2-CG2 3.83Å; L35-V125 HydrophobicContact CG-CG2 3.74Å; P123-V125 PolarHBondContact O-N 2.54Å; P123-V125 VanDerWaalsContact O-N 3.16Å; V125-L128 PolarHBondContact O-N 3.06Å; V125-N129 WeakPolarHBondContact O-CB 3.24Å; V125-N129 PolarHBondContact O-N 3.24Å; V125-N129 VanDerWaalsContact O-N 3.13Å; V125-N129 PolarHBondContact O-ND2 2.8Å
126	D	95.8	Very high	97.1	Very high	40 Å²	40	21.2 Å²	21.2	21%	0.214	12%	0.118	C	C	.	.	H	α-helix	trans	-68.7	-43	-179.9	-63.3	-35.8	0	0	0	110.3	I122 P123 L128 N129 Y130	I122-D126 HydrophobicContact CG2-CB 4.12Å; P123-D126 HydrophobicContact CB-CB 4.43Å; P123-D126 WeakPolarHBondContact CB-OD2 3.26Å; P123-D126 VanDerWaalsContact CG-OD2 3.3Å; P123-D126 WeakPolarHBondContact CG-OD2 3.27Å; P123-D126 PolarHBondContact O-N 3.12Å; D126-L128 VanDerWaalsContact C-N 3.33Å; D126-L128 PolarHBondContact O-N 3.42Å; D126-N129 PolarHBondContact O-N 2.76Å; D126-N129 VanDerWaalsContact O-N 3.16Å; D126-Y130 HydrophobicContact CB-CD2 4.3Å; D126-Y130 WeakPolarHBondContact O-CB 3.31Å; D126-Y130 VanDerWaalsContact O-CD2 3.24Å; D126-Y130 WeakPolarHBondContact O-CD2 3.24Å; D126-Y130 PolarHBondContact O-N 3.37Å
127	Y	97.3	Very high	97	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.4	-45.8	176.2	-169.2	-104.1	0	0	0	112	E19 Y23 L26 V40 F42 P123 N129 F131 Y169	E19-Y127 WeakPolarHBondContact CB-OH 3.46Å; E19-Y127 PolarHBondContact O-OH 2.86Å; Y23-Y127 HydrophobicContact CD2-CD1 4.1Å; Y23-Y127 AromaticContact CD2-CE1 3.97Å; Y23-Y127 HydrophobicContact CD2-CE1 3.97Å; Y23-Y127 HydrophobicContact CG-CE1 4.43Å; L26-Y127 HydrophobicContact CD1-CD1 3.62Å; L26-Y127 HydrophobicContact CD1-CG 4.33Å; V40-Y127 HydrophobicContact CB-CD1 4.43Å; V40-Y127 HydrophobicContact CB-CD2 4.33Å; V40-Y127 HydrophobicContact CB-CG 4.11Å; V40-Y127 HydrophobicContact CG1-CD1 4.36Å; V40-Y127 HydrophobicContact CG1-CD2 4.15Å; V40-Y127 HydrophobicContact CG1-CE1 4.29Å; V40-Y127 HydrophobicContact CG1-CE2 4.17Å; V40-Y127 HydrophobicContact CG1-CG 4.24Å; V40-Y127 HydrophobicContact CG2-CD1 3.67Å; V40-Y127 HydrophobicContact CG2-CD2 4.35Å; V40-Y127 HydrophobicContact CG2-CE1 4.27Å; V40-Y127 HydrophobicContact CG2-CG 3.65Å; F42-Y127 HydrophobicContact CE2-CD2 4.18Å; F42-Y127 AromaticContact CE2-CE2 3.37Å; F42-Y127 HydrophobicContact CE2-CE2 3.37Å; F42-Y127 AromaticContact CE2-CZ 3.87Å; F42-Y127 AromaticContact CZ-CE2 3.69Å; F42-Y127 HydrophobicContact CZ-CE2 3.69Å; F42-Y127 AromaticContact CZ-CZ 3.97Å; F42-Y127 WeakPolarHBondContact CZ-OH 3.44Å; P123-Y127 PolarHBondContact O-N 2.71Å; Y127-N129 VanDerWaalsContact C-N 3.28Å; Y127-N129 PolarHBondContact O-N 3.13Å; Y127-F131 HydrophobicContact CD1-CB 4.32Å; Y127-F131 HydrophobicContact CD2-CB 3.92Å; Y127-F131 HydrophobicContact CD2-CD2 4.3Å; Y127-F131 HydrophobicContact CD2-CG 4.29Å; Y127-F131 HydrophobicContact CE1-CB 4.25Å; Y127-F131 HydrophobicContact CE1-CD1 4.26Å; Y127-F131 HydrophobicContact CE1-CG 4.1Å; Y127-F131 HydrophobicContact CE2-CB 3.73Å; Y127-F131 HydrophobicContact CE2-CD1 4.44Å; Y127-F131 AromaticContact CE2-CD2 3.37Å; Y127-F131 HydrophobicContact CE2-CD2 3.37Å; Y127-F131 HydrophobicContact CE2-CE2 4.09Å; Y127-F131 AromaticContact CE2-CG 3.59Å; Y127-F131 HydrophobicContact CE2-CG 3.59Å; Y127-F131 HydrophobicContact CG-CB 4.22Å; Y127-F131 AromaticContact CZ-CD1 3.93Å; Y127-F131 AromaticContact CZ-CD2 3.56Å; Y127-F131 AromaticContact CZ-CG 3.52Å; Y127-F131 WeakPolarHBondContact O-CB 3.33Å; Y127-F131 PolarHBondContact O-N 3.05Å; Y127-F131 WeakPolarHBondContact OH-CD2 3.31Å; Y127-F131 WeakPolarHBondContact OH-CE2 3.42Å; Y127-Y169 HydrophobicContact CD2-CD1 4.1Å; Y127-Y169 AromaticContact CD2-CE1 3.6Å; Y127-Y169 HydrophobicContact CD2-CE1 3.6Å; Y127-Y169 HydrophobicContact CE2-CD1 4.1Å; Y127-Y169 AromaticContact CE2-CE1 3.94Å; Y127-Y169 HydrophobicContact CE2-CE1 3.94Å
128	L	96.7	Very high	97	Very high	5 Å²	5	22 Å²	22	3%	0.026	12%	0.122	C	C	.	.	H	α-helix	trans	-63.2	-33.2	178.7	-167.2	70.5	0	0	0	112.9	Y23 L26 E27 R30 L35 G124 V125 D126	Y23-L128 HydrophobicContact CD1-CD1 4.19Å; Y23-L128 HydrophobicContact CD2-CD1 4.24Å; Y23-L128 HydrophobicContact CE1-CD1 3.74Å; Y23-L128 HydrophobicContact CE2-CD1 3.79Å; Y23-L128 HydrophobicContact CG-CD1 4.44Å; Y23-L128 PolarHBondContact OH-O 2.88Å; L26-L128 HydrophobicContact CB-CD1 4.24Å; E27-L128 HydrophobicContact CG-CD1 3.73Å; R30-L128 HydrophobicContact CB-CD2 4.43Å; L35-L128 HydrophobicContact CD1-CD2 4.34Å; L35-L128 HydrophobicContact CD2-CD2 3.79Å; G124-L128 WeakPolarHBondContact O-CB 3.26Å; G124-L128 PolarHBondContact O-N 3.16Å; V125-L128 PolarHBondContact O-N 3.06Å; D126-L128 VanDerWaalsContact C-N 3.33Å; D126-L128 PolarHBondContact O-N 3.42Å
129	N	95.8	Very high	97	Very high	50 Å²	50	24.4 Å²	24.4	27%	0.267	13%	0.13	S	C	.	.	H	α-helix	trans	-84.6	-32.3	-177.3	-74.1	-29.2	0	0	0	113.9	V125 D126 Y127 G157 Q158 S159	V125-N129 WeakPolarHBondContact O-CB 3.24Å; V125-N129 PolarHBondContact O-N 3.24Å; V125-N129 VanDerWaalsContact O-N 3.13Å; V125-N129 PolarHBondContact O-ND2 2.8Å; D126-N129 PolarHBondContact O-N 2.76Å; D126-N129 VanDerWaalsContact O-N 3.16Å; Y127-N129 VanDerWaalsContact C-N 3.28Å; Y127-N129 PolarHBondContact O-N 3.13Å; N129-G157 CarbonylContact O-C 3.56Å; N129-G157 VanDerWaalsContact O-CA 3.23Å; N129-G157 WeakPolarHBondContact O-CA 3.42Å; N129-Q158 PolarHBondContact O-N 2.85Å; N129-Q158 VanDerWaalsContact O-N 3.13Å; N129-S159 PolarHBondContact O-N 2.89Å
130	Y	96.4	Very high	96.9	Very high	39 Å²	39	30.9 Å²	30.9	15%	0.153	15%	0.154	C	C	.	.	H	α-helix	trans	-112.4	-22.5	-168.5	-66.7	-84.2	0	0	0	114.3	D126 S132 S159 S160 T165 L182 V186	D126-Y130 HydrophobicContact CB-CD2 4.3Å; D126-Y130 WeakPolarHBondContact O-CB 3.31Å; D126-Y130 VanDerWaalsContact O-CD2 3.24Å; D126-Y130 WeakPolarHBondContact O-CD2 3.24Å; D126-Y130 PolarHBondContact O-N 3.37Å; Y130-S132 PolarHBondContact O-N 2.92Å; Y130-S159 VanDerWaalsContact CD1-O 3.27Å; Y130-S159 WeakPolarHBondContact CD1-O 3.42Å; Y130-S159 VanDerWaalsContact CE1-CB 3.42Å; Y130-S159 WeakPolarHBondContact CE1-O 3.43Å; Y130-S160 VanDerWaalsContact O-CB 3.27Å; Y130-S160 WeakPolarHBondContact O-CB 3.37Å; Y130-S160 PolarHBondContact O-OG 3.12Å; Y130-T165 PolarHBondContact O-OG1 3.47Å; Y130-L182 HydrophobicContact CD1-CD1 4.46Å; Y130-L182 HydrophobicContact CE1-CD1 4.06Å; Y130-L182 HydrophobicContact CE1-CD2 4.36Å; Y130-V186 HydrophobicContact CD1-CB 4.3Å; Y130-V186 HydrophobicContact CD1-CG2 4.36Å; Y130-V186 HydrophobicContact CD2-CB 3.87Å; Y130-V186 HydrophobicContact CD2-CG1 4.19Å; Y130-V186 HydrophobicContact CE1-CB 4.35Å; Y130-V186 HydrophobicContact CE1-CG1 4.13Å; Y130-V186 HydrophobicContact CE2-CB 3.94Å; Y130-V186 HydrophobicContact CE2-CG1 3.73Å; Y130-V186 HydrophobicContact CG-CB 4.07Å; Y130-V186 HydrophobicContact CG-CG2 4.44Å
131	F	97.7	Very high	96.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.201	C	C	.	.			trans	-67.9	131.9	-178.7	179.8	-101.7	0	0	0	111.4	E19 Y23 F42 Y127 I155 G157 L166 Y169	E19-F131 HydrophobicContact CB-CE2 4.35Å; E19-F131 HydrophobicContact CB-CZ 3.96Å; E19-F131 HydrophobicContact CG-CE1 4.39Å; E19-F131 HydrophobicContact CG-CE2 4.3Å; E19-F131 HydrophobicContact CG-CZ 3.58Å; Y23-F131 HydrophobicContact CD2-CB 4.27Å; Y23-F131 AromaticContact CD2-CD1 3.78Å; Y23-F131 HydrophobicContact CD2-CD1 3.78Å; Y23-F131 HydrophobicContact CD2-CG 4.43Å; Y23-F131 HydrophobicContact CE2-CB 4.41Å; Y23-F131 HydrophobicContact CE2-CD1 4.33Å; F42-F131 HydrophobicContact CZ-CE2 4.47Å; Y127-F131 HydrophobicContact CD1-CB 4.32Å; Y127-F131 HydrophobicContact CD2-CB 3.92Å; Y127-F131 HydrophobicContact CD2-CD2 4.3Å; Y127-F131 HydrophobicContact CD2-CG 4.29Å; Y127-F131 HydrophobicContact CE1-CB 4.25Å; Y127-F131 HydrophobicContact CE1-CD1 4.26Å; Y127-F131 HydrophobicContact CE1-CG 4.1Å; Y127-F131 HydrophobicContact CE2-CB 3.73Å; Y127-F131 HydrophobicContact CE2-CD1 4.44Å; Y127-F131 AromaticContact CE2-CD2 3.37Å; Y127-F131 HydrophobicContact CE2-CD2 3.37Å; Y127-F131 HydrophobicContact CE2-CE2 4.09Å; Y127-F131 AromaticContact CE2-CG 3.59Å; Y127-F131 HydrophobicContact CE2-CG 3.59Å; Y127-F131 HydrophobicContact CG-CB 4.22Å; Y127-F131 AromaticContact CZ-CD1 3.93Å; Y127-F131 AromaticContact CZ-CD2 3.56Å; Y127-F131 AromaticContact CZ-CG 3.52Å; Y127-F131 WeakPolarHBondContact O-CB 3.33Å; Y127-F131 PolarHBondContact O-N 3.05Å; Y127-F131 WeakPolarHBondContact OH-CD2 3.31Å; Y127-F131 WeakPolarHBondContact OH-CE2 3.42Å; F131-I155 HydrophobicContact CD1-CB 4.5Å; F131-I155 HydrophobicContact CD1-CG2 3.9Å; F131-I155 HydrophobicContact CE1-CB 4.44Å; F131-I155 HydrophobicContact CE1-CD1 4.5Å; F131-I155 HydrophobicContact CE1-CG2 4.31Å; F131-G157 WeakPolarHBondContact O-CA 3.39Å; F131-G157 PolarHBondContact O-N 3.15Å; F131-L166 HydrophobicContact CE2-CB 4.37Å; F131-L166 HydrophobicContact CE2-CD1 4.09Å; F131-Y169 WeakPolarHBondContact CA-OH 3.3Å; F131-Y169 HydrophobicContact CB-CE2 4.28Å; F131-Y169 AromaticContact CD2-CD2 3.88Å; F131-Y169 HydrophobicContact CD2-CD2 3.88Å; F131-Y169 AromaticContact CD2-CE2 3.58Å; F131-Y169 HydrophobicContact CD2-CE2 3.58Å; F131-Y169 HydrophobicContact CE2-CD2 4.36Å; F131-Y169 HydrophobicContact CE2-CE2 4.46Å; F131-Y169 HydrophobicContact CG-CE2 4.41Å; F131-Y169 PolarHBondContact N-OH 3.13Å; F131-Y169 VanDerWaalsContact N-OH 3.16Å
132	S	97.9	Very high	96.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	139.9	170.9	-59.3	0	0	0	0	110.4	Y130 I155 R156 G157 S160 S162 P163 T165	Y130-S132 PolarHBondContact O-N 2.92Å; S132-I155 CarbonylContact C-O 3.57Å; S132-I155 WeakPolarHBondContact CA-O 3.23Å; S132-R156 WeakPolarHBondContact OG-CA 2.93Å; S132-G157 PolarHBondContact OG-N 3.32Å; S132-G157 VanDerWaalsContact OG-N 3.13Å; S132-S160 WeakPolarHBondContact CB-OG 3.35Å; S132-S160 WeakPolarHBondContact OG-CB 3.43Å; S132-S160 PolarHBondContact OG-OG 2.92Å; S132-S162 VanDerWaalsContact CB-O 3.31Å; S132-S162 WeakPolarHBondContact CB-O 3.44Å; S132-S162 PolarHBondContact OG-O 3.16Å; S132-P163 CarbonylContact C-O 3.49Å; S132-P163 WeakPolarHBondContact CB-O 3.15Å; S132-T165 PolarHBondContact N-OG1 2.74Å; S132-T165 PolarHBondContact O-N 3.46Å; S132-T165 PolarHBondContact O-OG1 2.66Å
133	S	98.3	Very high	96.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	116.4	175.1	178.6	0	0	0	0	109.2	R135 C154 I155 P163	S133-R135 PolarHBondContact O-N 2.99Å; S133-R135 PolarHBondContact OG-N 3.16Å; S133-C154 VanDerWaalsContact O-CB 3.3Å; S133-C154 WeakPolarHBondContact O-CB 3.27Å; S133-I155 PolarHBondContact N-O 3.34Å; S133-P163 CarbonylContact C-O 3.52Å; S133-P163 PolarHBondContact N-O 2.93Å
134	D	97.8	Very high	96.4	Very high	60 Å²	60	50.1 Å²	50.1	32%	0.321	26%	0.258	S	S	.	.			trans	-78.4	1.4	166.6	67.6	4.5	0	0	0	113.3	S136 P163 H164	D134-S136 PolarHBondContact O-N 3.2Å; D134-S136 VanDerWaalsContact O-N 3.14Å; D134-S136 VanDerWaalsContact OD1-CB 3.23Å; D134-S136 WeakPolarHBondContact OD1-CB 3.39Å; D134-S136 PolarHBondContact OD1-N 3.33Å; D134-S136 PolarHBondContact OD1-OG 3.46Å; D134-P163 PolarHBondContact N-O 3.48Å; D134-H164 IonicContact OD1-CE1 2.92Å; D134-H164 IonicContact OD1-CG 3.53Å; D134-H164 IonicContact OD1-ND1 3.32Å; D134-H164 PolarHBondContact OD1-ND1 3.18Å
135	R	98.2	Very high	96.4	Very high	12 Å²	12	54.7 Å²	54.7	5%	0.045	28%	0.275	C	S	.	.			trans	61.6	10.2	-178.3	-54.1	171.6	-179.6	149.4	5.3	115.2	Y17 E20 S133 H137 M138 W145 P150 Y152 E153	Y17-R135 HydrophobicContact CE1-CB 4.42Å; Y17-R135 HydrophobicContact CE1-CG 4.15Å; E20-R135 WeakPolarHBondContact OE1-CD 3.44Å; E20-R135 VanDerWaalsContact OE1-CG 3.27Å; E20-R135 WeakPolarHBondContact OE1-CG 3.25Å; E20-R135 IonicContact OE1-CZ 3.67Å; E20-R135 IonicContact OE1-NE 2.76Å; E20-R135 PolarHBondContact OE1-NE 2.93Å; E20-R135 IonicContact OE1-NH2 3.71Å; E20-R135 IonicContact OE2-CZ 3.48Å; E20-R135 IonicContact OE2-NE 3.36Å; E20-R135 PolarHBondContact OE2-NE 2.8Å; E20-R135 IonicContact OE2-NH2 2.76Å; E20-R135 PolarHBondContact OE2-NH2 3Å; S133-R135 PolarHBondContact O-N 2.99Å; S133-R135 PolarHBondContact OG-N 3.16Å; R135-H137 PolarHBondContact O-N 3.41Å; R135-H137 VanDerWaalsContact O-N 3.13Å; R135-M138 PolarHBondContact O-N 3.45Å; R135-W145 HydrophobicContact CB-CH2 4.05Å; R135-W145 HydrophobicContact CB-CZ3 3.81Å; R135-W145 WeakPolarHBondContact O-CZ3 3.46Å; R135-P150 PolarHBondContact NH1-O 2.92Å; R135-Y152 PolarHBondContact NH1-O 3.46Å; R135-Y152 VanDerWaalsContact NH2-CE2 3.29Å; R135-Y152 PolarHBondContact NH2-O 3.46Å; R135-E153 PolarHBondContact NH2-O 2.78Å
136	S	96.8	Very high	96.5	Very high	49 Å²	49	57.2 Å²	57.2	34%	0.343	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-55	-33.5	179.2	55.7	0	0	0	0	113.2	D134 M138 Q139	D134-S136 PolarHBondContact O-N 3.2Å; D134-S136 VanDerWaalsContact O-N 3.14Å; D134-S136 VanDerWaalsContact OD1-CB 3.23Å; D134-S136 WeakPolarHBondContact OD1-CB 3.39Å; D134-S136 PolarHBondContact OD1-N 3.33Å; D134-S136 PolarHBondContact OD1-OG 3.46Å; S136-M138 PolarHBondContact O-N 2.97Å; S136-M138 VanDerWaalsContact O-N 3.13Å; S136-Q139 WeakPolarHBondContact O-CB 3.39Å; S136-Q139 PolarHBondContact O-N 3.25Å
137	H	95.6	Very high	96.5	Very high	58 Å²	58	55.8 Å²	55.8	27%	0.269	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-60.7	-18.2	174.5	74.3	-73.5	0	0	0	114.9	E19 Y70 R135 H164 L166	E19-H137 IonicContact OE1-CE1 2.74Å; E19-H137 IonicContact OE1-NE2 3.58Å; Y70-H137 PolarHBondContact OH-NE2 3.04Å; R135-H137 PolarHBondContact O-N 3.41Å; R135-H137 VanDerWaalsContact O-N 3.13Å; H137-H164 AromaticContact ND1-CE1 3.71Å; H137-L166 VanDerWaalsContact CE1-CD2 3.45Å; H137-L166 WeakPolarHBondContact CE1-CD2 3.47Å; H137-L166 WeakPolarHBondContact NE2-CD2 3.41Å
138	M	97.3	Very high	96.5	Very high	19 Å²	19	60.8 Å²	60.8	9%	0.094	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-99.8	5.2	177	-67.2	-64.4	-79.7	0	0	113.1	N16 Y17 R135 S136 W145 I146 A147	N16-M138 HydrophobicContact CB-CE 3.88Å; Y17-M138 HydrophobicContact CE1-CB 4.13Å; Y17-M138 HydrophobicContact CE1-CE 4.49Å; Y17-M138 HydrophobicContact CE1-CG 3.73Å; Y17-M138 HydrophobicContact CE2-CE 3.95Å; Y17-M138 WeakPolarHBondContact OH-CB 3.46Å; R135-M138 PolarHBondContact O-N 3.45Å; S136-M138 PolarHBondContact O-N 2.97Å; S136-M138 VanDerWaalsContact O-N 3.13Å; M138-W145 HydrophobicContact CB-CE3 4.1Å; M138-W145 HydrophobicContact CB-CZ3 4.27Å; M138-I146 HydrophobicContact CE-CB 4.41Å; M138-I146 WeakPolarHBondContact O-CG1 3.22Å; M138-I146 PolarHBondContact O-N 2.87Å; M138-A147 HydrophobicContact CE-CB 3.81Å
139	Q	96.7	Very high	96.6	Very high	90 Å²	90	62.4 Å²	62.4	42%	0.421	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-97.7	136.9	176.2	-63.3	-176.5	-39.3	0	0	110.8	S136 W145	S136-Q139 WeakPolarHBondContact O-CB 3.39Å; S136-Q139 PolarHBondContact O-N 3.25Å; Q139-W145 HydrophobicContact CG-CD2 4.27Å; Q139-W145 HydrophobicContact CG-CE3 3.65Å; Q139-W145 HydrophobicContact CG-CH2 3.65Å; Q139-W145 HydrophobicContact CG-CZ2 4.26Å; Q139-W145 HydrophobicContact CG-CZ3 3.3Å
140	R	95.6	Very high	96.7	Very high	136 Å²	136	60.3 Å²	60.3	51%	0.513	31%	0.313	S	S	.	.			trans	-79.7	165	169.3	-63.1	177.8	-173.7	-77.4	-3.1	109.9	D142 G143 N144 I146	R140-D142 WeakPolarHBondContact CB-OD1 3.36Å; R140-D142 PolarHBondContact O-N 2.97Å; R140-D142 VanDerWaalsContact O-N 3.17Å; R140-G143 PolarHBondContact O-N 3.32Å; R140-N144 WeakPolarHBondContact CB-O 3.45Å; R140-N144 WeakPolarHBondContact CG-O 3.42Å; R140-N144 PolarHBondContact N-O 3.08Å; R140-I146 HydrophobicContact CG-CG1 3.86Å
141	E	94.6	Very high	96.7	Very high	213 Å²	213	65.7 Å²	65.7	100%	0.995	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-28	177	-64.2	-179	174.5	0	0	113.4	G143	E141-G143 VanDerWaalsContact C-N 3.27Å; E141-G143 PolarHBondContact O-N 3.35Å
142	D	95.2	Very high	96.7	Very high	106 Å²	106	67.9 Å²	67.9	57%	0.567	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	0.4	177.3	68.8	-3.4	0	0	0	113.9	R140 N144	R140-D142 WeakPolarHBondContact CB-OD1 3.36Å; R140-D142 PolarHBondContact O-N 2.97Å; R140-D142 VanDerWaalsContact O-N 3.17Å; D142-N144 VanDerWaalsContact C-N 3.32Å; D142-N144 VanDerWaalsContact OD1-CB 3.27Å; D142-N144 WeakPolarHBondContact OD1-CB 3.47Å; D142-N144 PolarHBondContact OD1-N 3.41Å; D142-N144 PolarHBondContact OD1-ND2 3.01Å; D142-N144 PolarHBondContact OD2-ND2 3.05Å
143	G	93.4	Very high	96.7	Very high	45 Å²	45	75.9 Å²	75.9	46%	0.464	40%	0.396	S	S	.	.	S	Bend	trans	84.2	-3.3	-177.5	0	0	0	0	0	114.9	R140 E141	R140-G143 PolarHBondContact O-N 3.32Å; E141-G143 VanDerWaalsContact C-N 3.27Å; E141-G143 PolarHBondContact O-N 3.35Å
144	N	95.4	Very high	96.6	Very high	96 Å²	96	78.5 Å²	78.5	51%	0.513	41%	0.414	S	S	.	.			trans	-76.9	151.7	175	-68.5	-51.7	0	0	0	111.4	R140 D142	R140-N144 WeakPolarHBondContact CB-O 3.45Å; R140-N144 WeakPolarHBondContact CG-O 3.42Å; R140-N144 PolarHBondContact N-O 3.08Å; D142-N144 VanDerWaalsContact C-N 3.32Å; D142-N144 VanDerWaalsContact OD1-CB 3.27Å; D142-N144 WeakPolarHBondContact OD1-CB 3.47Å; D142-N144 PolarHBondContact OD1-N 3.41Å; D142-N144 PolarHBondContact OD1-ND2 3.01Å; D142-N144 PolarHBondContact OD2-ND2 3.05Å
145	W	96.9	Very high	96.7	Very high	97 Å²	97	76.1 Å²	76.1	37%	0.367	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-79.1	139.3	177.5	-62.8	102.3	0	0	0	112.1	R135 M138 Q139 A147 P149	R135-W145 HydrophobicContact CB-CH2 4.05Å; R135-W145 HydrophobicContact CB-CZ3 3.81Å; R135-W145 WeakPolarHBondContact O-CZ3 3.46Å; M138-W145 HydrophobicContact CB-CE3 4.1Å; M138-W145 HydrophobicContact CB-CZ3 4.27Å; Q139-W145 HydrophobicContact CG-CD2 4.27Å; Q139-W145 HydrophobicContact CG-CE3 3.65Å; Q139-W145 HydrophobicContact CG-CH2 3.65Å; Q139-W145 HydrophobicContact CG-CZ2 4.26Å; Q139-W145 HydrophobicContact CG-CZ3 3.3Å; W145-A147 VanDerWaalsContact C-N 3.32Å; W145-A147 WeakPolarHBondContact CB-O 3.4Å; W145-P149 HydrophobicContact CD2-CB 4.34Å; W145-P149 HydrophobicContact CD2-CG 3.92Å; W145-P149 HydrophobicContact CE3-CB 4.38Å; W145-P149 HydrophobicContact CE3-CG 4.44Å; W145-P149 HydrophobicContact CG-CG 4.23Å; W145-P149 HydrophobicContact CZ2-CB 4.47Å; W145-P149 HydrophobicContact CZ2-CG 4.09Å; W145-P149 HydrophobicContact CZ3-CB 4.45Å
146	I	96.9	Very high	96.6	Very high	87 Å²	87	83.7 Å²	83.7	45%	0.446	43%	0.429	S	S	.	.	S	Bend	trans	-64.5	-41	170.1	-63	174.5	0	0	0	109.9	M138 R140	M138-I146 HydrophobicContact CE-CB 4.41Å; M138-I146 WeakPolarHBondContact O-CG1 3.22Å; M138-I146 PolarHBondContact O-N 2.87Å; R140-I146 HydrophobicContact CG-CG1 3.86Å
147	A	96.8	Very high	96.6	Very high	9 Å²	9	81.5 Å²	81.5	7%	0.074	41%	0.414	C	S	.	.	S	Bend	trans	-142.3	148.2	169.7	0	0	0	0	0	110.3	N16 Y17 M138 W145	N16-A147 HydrophobicContact CB-CB 4.22Å; N16-A147 VanDerWaalsContact ND2-CB 3.31Å; N16-A147 WeakPolarHBondContact ND2-CB 3.49Å; Y17-A147 HydrophobicContact CE2-CB 4.42Å; Y17-A147 PolarHBondContact OH-O 2.94Å; M138-A147 HydrophobicContact CE-CB 3.81Å; W145-A147 VanDerWaalsContact C-N 3.32Å; W145-A147 WeakPolarHBondContact CB-O 3.4Å
148	P	97.3	Very high	96.6	Very high	106 Å²	106	87 Å²	87	69%	0.688	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-53.4	125.9	-177.5	-26	34.4	0	0	0	112	Y17	Y17-P148 VanDerWaalsContact CE2-O 3.26Å; Y17-P148 WeakPolarHBondContact CE2-O 3.29Å
149	P	97.7	Very high	96.4	Very high	39 Å²	39	88.9 Å²	88.9	25%	0.253	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-71.3	160.6	-178.2	31.8	-37.1	0	0	0	111.4	Y17 W145	Y17-P149 WeakPolarHBondContact OH-CA 3.36Å; W145-P149 HydrophobicContact CD2-CB 4.34Å; W145-P149 HydrophobicContact CD2-CG 3.92Å; W145-P149 HydrophobicContact CE3-CB 4.38Å; W145-P149 HydrophobicContact CE3-CG 4.44Å; W145-P149 HydrophobicContact CG-CG 4.23Å; W145-P149 HydrophobicContact CZ2-CB 4.47Å; W145-P149 HydrophobicContact CZ2-CG 4.09Å; W145-P149 HydrophobicContact CZ3-CB 4.45Å
150	P	97.7	Very high	96.3	Very high	6 Å²	6	85.4 Å²	85.4	4%	0.039	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-58.2	151.4	169.5	-16.2	26.3	0	0	0	111.7	T14 Y17 R135 Y152	T14-P150 HydrophobicContact CG2-CB 4.4Å; T14-P150 HydrophobicContact CG2-CG 3.96Å; Y17-P150 HydrophobicContact CD1-CG 4.18Å; Y17-P150 HydrophobicContact CD2-CG 4.44Å; Y17-P150 HydrophobicContact CG-CG 4.05Å; R135-P150 PolarHBondContact NH1-O 2.92Å; P150-Y152 VanDerWaalsContact C-N 3.31Å; P150-Y152 HydrophobicContact CB-CD1 3.8Å; P150-Y152 HydrophobicContact CB-CD2 4.39Å; P150-Y152 HydrophobicContact CB-CE1 3.26Å; P150-Y152 HydrophobicContact CB-CE2 3.94Å; P150-Y152 HydrophobicContact CB-CG 4.32Å; P150-Y152 HydrophobicContact CG-CE1 4.2Å; P150-Y152 HydrophobicContact CG-CE2 4.38Å; P150-Y152 PolarHBondContact O-N 3.32Å
151	T	96.6	Very high	95.9	Very high	152 Å²	152	81.8 Å²	81.8	93%	0.933	44%	0.436	S	S	*	.	S	Bend	trans	-80.2	-9.8	-176.1	54.7	0	0	0	0	114.4
152	Y	97.3	Very high	95.9	Very high	45 Å²	45	73.4 Å²	73.4	18%	0.176	40%	0.401	C	S	.	.	S	Bend	trans	-89.9	158.9	174.5	53.1	-93.3	0	0	0	111.1	T12 E20 K24 R135 P150 I155	T12-Y152 HydrophobicContact CG2-CD1 4.13Å; T12-Y152 HydrophobicContact CG2-CE1 3.44Å; T12-Y152 VanDerWaalsContact CG2-CE1 3.44Å; E20-Y152 WeakPolarHBondContact CB-OH 3.45Å; E20-Y152 WeakPolarHBondContact OE2-CE2 3.25Å; E20-Y152 PolarHBondContact OE2-OH 3.38Å; K24-Y152 HydrophobicContact CD-CE2 4.47Å; K24-Y152 VanDerWaalsContact CE-CZ 3.47Å; K24-Y152 HydrophobicContact CG-CE1 4.36Å; R135-Y152 PolarHBondContact NH1-O 3.46Å; R135-Y152 VanDerWaalsContact NH2-CE2 3.29Å; R135-Y152 PolarHBondContact NH2-O 3.46Å; P150-Y152 VanDerWaalsContact C-N 3.31Å; P150-Y152 HydrophobicContact CB-CD1 3.8Å; P150-Y152 HydrophobicContact CB-CD2 4.39Å; P150-Y152 HydrophobicContact CB-CE1 3.26Å; P150-Y152 HydrophobicContact CB-CE2 3.94Å; P150-Y152 HydrophobicContact CB-CG 4.32Å; P150-Y152 HydrophobicContact CG-CE1 4.2Å; P150-Y152 HydrophobicContact CG-CE2 4.38Å; P150-Y152 PolarHBondContact O-N 3.32Å; Y152-I155 HydrophobicContact CE2-CD1 4.12Å; Y152-I155 HydrophobicContact CE2-CG1 4.07Å
153	E	97.7	Very high	95.9	Very high	168 Å²	168	71.8 Å²	71.8	79%	0.785	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-53.1	151.4	177.2	-66.3	-58.4	133.7	0	0	112.8	R135 I155	R135-E153 PolarHBondContact NH2-O 2.78Å; E153-I155 PolarHBondContact O-N 2.88Å
154	C	98.2	Very high	96	Very high	56 Å²	56	71.2 Å²	71.2	38%	0.378	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-53.6	135.8	175.2	-72.3	0	0	0	0	111.2	S133 R156	S133-C154 VanDerWaalsContact O-CB 3.3Å; S133-C154 WeakPolarHBondContact O-CB 3.27Å; C154-R156 PolarHBondContact O-N 3.38Å
155	I	98.4	Very high	96.1	Very high	9 Å²	9	66.7 Å²	66.7	5%	0.046	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	129.6	-176.9	-63.2	177.7	0	0	0	109.2	E20 Y23 F131 S132 S133 Y152 E153	E20-I155 HydrophobicContact CB-CD1 3.75Å; E20-I155 HydrophobicContact CG-CD1 3.71Å; Y23-I155 HydrophobicContact CD1-CD1 3.61Å; Y23-I155 HydrophobicContact CD1-CG1 4.33Å; Y23-I155 HydrophobicContact CD1-CG2 3.98Å; Y23-I155 HydrophobicContact CD2-CD1 4.41Å; Y23-I155 HydrophobicContact CD2-CG2 3.73Å; Y23-I155 HydrophobicContact CE1-CD1 4.24Å; Y23-I155 HydrophobicContact CE1-CG1 4.5Å; Y23-I155 HydrophobicContact CE1-CG2 3.69Å; Y23-I155 HydrophobicContact CE2-CG2 3.42Å; Y23-I155 VanDerWaalsContact CE2-CG2 3.42Å; Y23-I155 HydrophobicContact CG-CD1 3.7Å; Y23-I155 HydrophobicContact CG-CG2 3.99Å; F131-I155 HydrophobicContact CD1-CB 4.5Å; F131-I155 HydrophobicContact CD1-CG2 3.9Å; F131-I155 HydrophobicContact CE1-CB 4.44Å; F131-I155 HydrophobicContact CE1-CD1 4.5Å; F131-I155 HydrophobicContact CE1-CG2 4.31Å; S132-I155 CarbonylContact C-O 3.57Å; S132-I155 WeakPolarHBondContact CA-O 3.23Å; S133-I155 PolarHBondContact N-O 3.34Å; Y152-I155 HydrophobicContact CE2-CD1 4.12Å; Y152-I155 HydrophobicContact CE2-CG1 4.07Å; E153-I155 PolarHBondContact O-N 2.88Å
156	R	97.2	Very high	96	Very high	172 Å²	172	62.1 Å²	62.1	65%	0.649	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	107.7	173.6	-171.7	174.1	-176.7	164.8	1.6	110.6	S132 C154	S132-R156 WeakPolarHBondContact OG-CA 2.93Å; C154-R156 PolarHBondContact O-N 3.38Å
157	G	95.8	Very high	95.9	Very high	3 Å²	3	61.3 Å²	61.3	3%	0.031	34%	0.341	C	S	.	.			trans	-60.5	139.3	174.5	0	0	0	0	0	111	N129 F131 S132 S159 S160	N129-G157 CarbonylContact O-C 3.56Å; N129-G157 VanDerWaalsContact O-CA 3.23Å; N129-G157 WeakPolarHBondContact O-CA 3.42Å; F131-G157 WeakPolarHBondContact O-CA 3.39Å; F131-G157 PolarHBondContact O-N 3.15Å; S132-G157 PolarHBondContact OG-N 3.32Å; S132-G157 VanDerWaalsContact OG-N 3.13Å; G157-S159 PolarHBondContact O-N 3.18Å; G157-S160 VanDerWaalsContact O-CB 3.23Å; G157-S160 WeakPolarHBondContact O-CB 3.38Å; G157-S160 PolarHBondContact O-N 3.43Å
158	Q	95.1	Very high	95.8	Very high	174 Å²	174	64.2 Å²	64.2	81%	0.813	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-28.6	-175.8	-67.4	-178.4	-6.4	0	0	113.4	N129	N129-Q158 PolarHBondContact O-N 2.85Å; N129-Q158 VanDerWaalsContact O-N 3.13Å
159	S	94.8	Very high	95.7	Very high	57 Å²	57	59.2 Å²	59.2	40%	0.399	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	12.1	179.2	-56.2	0	0	0	0	112.6	N129 Y130 G157	N129-S159 PolarHBondContact O-N 2.89Å; Y130-S159 VanDerWaalsContact CD1-O 3.27Å; Y130-S159 WeakPolarHBondContact CD1-O 3.42Å; Y130-S159 VanDerWaalsContact CE1-CB 3.42Å; Y130-S159 WeakPolarHBondContact CE1-O 3.43Å; G157-S159 PolarHBondContact O-N 3.18Å
160	S	92.9	Very high	95.7	Very high	17 Å²	17	59.1 Å²	59.1	12%	0.119	32%	0.316	C	S	.	.			trans	-72	135.4	-176.8	-159.3	0	0	0	0	112.1	Y130 S132 G157 S162 T165	Y130-S160 VanDerWaalsContact O-CB 3.27Å; Y130-S160 WeakPolarHBondContact O-CB 3.37Å; Y130-S160 PolarHBondContact O-OG 3.12Å; S132-S160 WeakPolarHBondContact CB-OG 3.35Å; S132-S160 WeakPolarHBondContact OG-CB 3.43Å; S132-S160 PolarHBondContact OG-OG 2.92Å; G157-S160 VanDerWaalsContact O-CB 3.23Å; G157-S160 WeakPolarHBondContact O-CB 3.38Å; G157-S160 PolarHBondContact O-N 3.43Å; S160-S162 PolarHBondContact OG-O 2.76Å; S160-S162 VanDerWaalsContact OG-O 3.12Å; S160-T165 WeakPolarHBondContact OG-CG2 3.45Å
161	S	88.9	Confident	95.5	Very high	61 Å²	61	61.7 Å²	61.7	43%	0.427	33%	0.33	S	S	.	.	S	Bend	trans	-77.2	-18.7	179.5	54	0	0	0	0	114
162	S	93.4	Very high	95.4	Very high	37 Å²	37	55.3 Å²	55.3	26%	0.259	29%	0.289	S	S	.	.	S	Bend	trans	-145.4	152.4	-172.3	169.1	0	0	0	0	110.4	S132 S160 H164	S132-S162 VanDerWaalsContact CB-O 3.31Å; S132-S162 WeakPolarHBondContact CB-O 3.44Å; S132-S162 PolarHBondContact OG-O 3.16Å; S160-S162 PolarHBondContact OG-O 2.76Å; S160-S162 VanDerWaalsContact OG-O 3.12Å; S162-H164 PolarHBondContact O-N 3.07Å; S162-H164 PolarHBondContact OG-N 3.3Å; S162-H164 PolarHBondContact OG-O 2.9Å
163	P	95.3	Very high	95.2	Very high	72 Å²	72	58.1 Å²	58.1	47%	0.468	31%	0.312	S	S	.	.	S	Bend	trans	-62.2	-18.5	168.5	28	-36.6	0	0	0	113.2	S132 S133 D134	S132-P163 CarbonylContact C-O 3.49Å; S132-P163 WeakPolarHBondContact CB-O 3.15Å; S133-P163 CarbonylContact C-O 3.52Å; S133-P163 PolarHBondContact N-O 2.93Å; D134-P163 PolarHBondContact N-O 3.48Å
164	H	96.3	Very high	94.6	Very high	33 Å²	33	51.8 Å²	51.8	15%	0.153	29%	0.286	C	S	.	.			trans	-136.6	111	179.7	-164.8	82.6	0	0	0	110.4	D134 H137 S162 P167	D134-H164 IonicContact OD1-CE1 2.92Å; D134-H164 IonicContact OD1-CG 3.53Å; D134-H164 IonicContact OD1-ND1 3.32Å; D134-H164 PolarHBondContact OD1-ND1 3.18Å; H137-H164 AromaticContact ND1-CE1 3.71Å; S162-H164 PolarHBondContact O-N 3.07Å; S162-H164 PolarHBondContact OG-N 3.3Å; S162-H164 PolarHBondContact OG-O 2.9Å; H164-P167 WeakPolarHBondContact CD2-CD 3.13Å; H164-P167 WeakPolarHBondContact NE2-CD 3.36Å
165	T	96.1	Very high	93.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.285	C	S	.	.			trans	-120.5	-3.9	-179.2	53.1	0	0	0	0	113.2	Y130 S132 S160 P167 F168 Y169	Y130-T165 PolarHBondContact O-OG1 3.47Å; S132-T165 PolarHBondContact N-OG1 2.74Å; S132-T165 PolarHBondContact O-N 3.46Å; S132-T165 PolarHBondContact O-OG1 2.66Å; S160-T165 WeakPolarHBondContact OG-CG2 3.45Å; T165-P167 VanDerWaalsContact C-N 3.27Å; T165-P167 VanDerWaalsContact O-N 3.13Å; T165-F168 HydrophobicContact CG2-CD2 4.15Å; T165-F168 HydrophobicContact CG2-CE2 4.22Å; T165-F168 WeakPolarHBondContact O-CB 3.44Å; T165-F168 WeakPolarHBondContact O-CD2 3.36Å; T165-F168 PolarHBondContact O-N 2.97Å; T165-Y169 VanDerWaalsContact O-CD2 3.29Å; T165-Y169 WeakPolarHBondContact O-CD2 3.19Å
166	L	96.5	Very high	92.6	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-45.6	-41.7	177.8	178.5	63.1	0	0	0	113.9	E19 F42 Y70 F131 H137 F168 Y169 L170	E19-L166 HydrophobicContact CB-CD1 4.48Å; E19-L166 HydrophobicContact CG-CD1 4.36Å; F42-L166 HydrophobicContact CE1-CD1 3.66Å; F42-L166 HydrophobicContact CZ-CD1 4.26Å; Y70-L166 HydrophobicContact CE2-CD1 4.43Å; F131-L166 HydrophobicContact CE2-CB 4.37Å; F131-L166 HydrophobicContact CE2-CD1 4.09Å; H137-L166 VanDerWaalsContact CE1-CD2 3.45Å; H137-L166 WeakPolarHBondContact CE1-CD2 3.47Å; H137-L166 WeakPolarHBondContact NE2-CD2 3.41Å; L166-F168 PolarHBondContact O-N 3.42Å; L166-F168 VanDerWaalsContact O-N 3.17Å; L166-Y169 WeakPolarHBondContact O-CB 3.23Å; L166-Y169 PolarHBondContact O-N 3.33Å; L166-L170 HydrophobicContact CD1-CD1 4.13Å; L166-L170 HydrophobicContact CD1-CD2 4.29Å; L166-L170 HydrophobicContact CD1-CG 3.98Å; L166-L170 HydrophobicContact CD2-CD1 4.24Å; L166-L170 HydrophobicContact CG-CD1 3.8Å; L166-L170 HydrophobicContact CG-CG 4.09Å; L166-L170 WeakPolarHBondContact O-CG 3.5Å; L166-L170 PolarHBondContact O-N 2.76Å; L166-L170 VanDerWaalsContact O-N 3.09Å
167	P	94.9	Very high	90.9	Very high	71 Å²	71	48.8 Å²	48.8	46%	0.461	28%	0.283	S	S	.	.	H	α-helix	trans	-56.7	-33.6	178.5	-28.4	37.3	0	0	0	114.2	H164 T165 Y169 L170 D171	H164-P167 WeakPolarHBondContact CD2-CD 3.13Å; H164-P167 WeakPolarHBondContact NE2-CD 3.36Å; T165-P167 VanDerWaalsContact C-N 3.27Å; T165-P167 VanDerWaalsContact O-N 3.13Å; P167-Y169 VanDerWaalsContact C-N 3.28Å; P167-Y169 PolarHBondContact O-N 2.92Å; P167-L170 PolarHBondContact O-N 3.45Å; P167-D171 PolarHBondContact O-N 3.2Å
168	F	94	Very high	89.1	Confident	70 Å²	70	57.4 Å²	57.4	31%	0.307	32%	0.322	S	S	.	.	H	α-helix	trans	-68	-29.1	177	-55.9	-50.3	0	0	0	112.6	R120 T165 L166 V177 Y187	R120-F168 PolarHBondContact NE-O 3.41Å; T165-F168 HydrophobicContact CG2-CD2 4.15Å; T165-F168 HydrophobicContact CG2-CE2 4.22Å; T165-F168 WeakPolarHBondContact O-CB 3.44Å; T165-F168 WeakPolarHBondContact O-CD2 3.36Å; T165-F168 PolarHBondContact O-N 2.97Å; L166-F168 PolarHBondContact O-N 3.42Å; L166-F168 VanDerWaalsContact O-N 3.17Å; F168-V177 HydrophobicContact CD1-CG1 4.09Å; F168-V177 HydrophobicContact CE1-CG1 4.13Å; F168-Y187 HydrophobicContact CB-CD1 3.88Å; F168-Y187 HydrophobicContact CB-CD2 4.37Å; F168-Y187 HydrophobicContact CB-CE1 4.01Å; F168-Y187 HydrophobicContact CB-CE2 4.46Å; F168-Y187 HydrophobicContact CB-CG 4.08Å; F168-Y187 AromaticContact CD2-CE1 3.99Å; F168-Y187 HydrophobicContact CD2-CE1 3.99Å; F168-Y187 HydrophobicContact CD2-CE2 4.33Å; F168-Y187 AromaticContact CD2-CZ 3.77Å; F168-Y187 HydrophobicContact CG-CE1 4.42Å
169	Y	95.6	Very high	87.3	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-80.8	-25.9	174.8	-60.3	-87.2	0	0	0	112.3	F42 R120 I122 Y127 F131 T165 L166 P167 Y187	F42-Y169 HydrophobicContact CE2-CD1 4.2Å; F42-Y169 HydrophobicContact CE2-CG 4.31Å; F42-Y169 HydrophobicContact CZ-CG 4.24Å; R120-Y169 WeakPolarHBondContact CD-O 3.46Å; R120-Y169 PolarHBondContact NE-O 3.24Å; I122-Y169 HydrophobicContact CD1-CD1 4.08Å; I122-Y169 HydrophobicContact CG1-CD1 3.98Å; I122-Y169 HydrophobicContact CG1-CE1 4.12Å; I122-Y169 HydrophobicContact CG2-CE1 4.42Å; Y127-Y169 HydrophobicContact CD2-CD1 4.1Å; Y127-Y169 AromaticContact CD2-CE1 3.6Å; Y127-Y169 HydrophobicContact CD2-CE1 3.6Å; Y127-Y169 HydrophobicContact CE2-CD1 4.1Å; Y127-Y169 AromaticContact CE2-CE1 3.94Å; Y127-Y169 HydrophobicContact CE2-CE1 3.94Å; F131-Y169 WeakPolarHBondContact CA-OH 3.3Å; F131-Y169 HydrophobicContact CB-CE2 4.28Å; F131-Y169 AromaticContact CD2-CD2 3.88Å; F131-Y169 HydrophobicContact CD2-CD2 3.88Å; F131-Y169 AromaticContact CD2-CE2 3.58Å; F131-Y169 HydrophobicContact CD2-CE2 3.58Å; F131-Y169 HydrophobicContact CE2-CD2 4.36Å; F131-Y169 HydrophobicContact CE2-CE2 4.46Å; F131-Y169 HydrophobicContact CG-CE2 4.41Å; F131-Y169 PolarHBondContact N-OH 3.13Å; F131-Y169 VanDerWaalsContact N-OH 3.16Å; T165-Y169 VanDerWaalsContact O-CD2 3.29Å; T165-Y169 WeakPolarHBondContact O-CD2 3.19Å; L166-Y169 WeakPolarHBondContact O-CB 3.23Å; L166-Y169 PolarHBondContact O-N 3.33Å; P167-Y169 VanDerWaalsContact C-N 3.28Å; P167-Y169 PolarHBondContact O-N 2.92Å; Y169-Y187 HydrophobicContact CD1-CD1 4.28Å; Y169-Y187 HydrophobicContact CD2-CD1 4.18Å; Y169-Y187 AromaticContact CE1-CD1 3.73Å; Y169-Y187 HydrophobicContact CE1-CD1 3.73Å; Y169-Y187 AromaticContact CE2-CD1 3.62Å; Y169-Y187 HydrophobicContact CE2-CD1 3.62Å; Y169-Y187 AromaticContact CE2-CE1 3.76Å; Y169-Y187 HydrophobicContact CE2-CE1 3.76Å; Y169-Y187 HydrophobicContact CG-CD1 4.49Å; Y169-Y187 AromaticContact CZ-CD1 3.39Å; Y169-Y187 AromaticContact CZ-CE1 3.77Å
170	L	96.1	Very high	85.4	Confident	37 Å²	37	55.8 Å²	55.8	19%	0.194	31%	0.314	C	S	.	.	H	α-helix	trans	-86.4	-19.3	178.9	-63	-178.6	0	0	0	113.7	F42 Y70 L166 P167 M172	F42-L170 HydrophobicContact CD1-CD2 3.8Å; F42-L170 HydrophobicContact CE1-CD2 4.19Å; Y70-L170 HydrophobicContact CD1-CD1 4.28Å; Y70-L170 HydrophobicContact CD1-CD2 3.98Å; Y70-L170 HydrophobicContact CD2-CD2 3.59Å; Y70-L170 HydrophobicContact CE1-CD1 4.49Å; Y70-L170 HydrophobicContact CE2-CD2 4.26Å; Y70-L170 HydrophobicContact CG-CD2 3.41Å; Y70-L170 VanDerWaalsContact CG-CD2 3.41Å; L166-L170 HydrophobicContact CD1-CD1 4.13Å; L166-L170 HydrophobicContact CD1-CD2 4.29Å; L166-L170 HydrophobicContact CD1-CG 3.98Å; L166-L170 HydrophobicContact CD2-CD1 4.24Å; L166-L170 HydrophobicContact CG-CD1 3.8Å; L166-L170 HydrophobicContact CG-CG 4.09Å; L166-L170 WeakPolarHBondContact O-CG 3.5Å; L166-L170 PolarHBondContact O-N 2.76Å; L166-L170 VanDerWaalsContact O-N 3.09Å; P167-L170 PolarHBondContact O-N 3.45Å; L170-M172 PolarHBondContact O-N 3.36Å
171	D	94.7	Very high	83.5	Confident	61 Å²	61	61.5 Å²	61.5	33%	0.326	35%	0.354	S	S	.	.			trans	-65.5	117.4	171.2	-178	7.6	0	0	0	109.8	R120 P167 T173	R120-D171 PolarHBondContact NE-O 2.76Å; R120-D171 VanDerWaalsContact NE-O 3.16Å; R120-D171 PolarHBondContact NH2-O 3.36Å; P167-D171 PolarHBondContact O-N 3.2Å; D171-T173 WeakPolarHBondContact OD1-CB 3.16Å; D171-T173 PolarHBondContact OD1-N 2.75Å; D171-T173 PolarHBondContact OD1-OG1 3.2Å
172	M	95.1	Very high	81.9	Confident	17 Å²	17	61.2 Å²	61.2	8%	0.084	35%	0.348	C	S	.	.			trans	-104.7	6.9	178	-63	-65.4	163.1	0	0	112.3	F42 R120 L170 V190	F42-M172 HydrophobicContact CB-CE 3.86Å; R120-M172 HydrophobicContact CB-CE 3.84Å; R120-M172 HydrophobicContact CB-SD 3.84Å; L170-M172 PolarHBondContact O-N 3.36Å; M172-V190 WeakPolarHBondContact O-CG1 3.27Å; M172-V190 HydrophobicContact SD-CG1 4.4Å; M172-V190 HydrophobicContact SD-CG2 4.4Å
173	T	91.9	Very high	79.7	Confident	105 Å²	105	64.4 Å²	64.4	64%	0.644	37%	0.366	S	S	*	.	S	Bend	trans	-99.6	-24.9	-172.4	70.3	0	0	0	0	113.2	V46 D171	V46-T173 HydrophobicContact CG1-CG2 3.77Å; D171-T173 WeakPolarHBondContact OD1-CB 3.16Å; D171-T173 PolarHBondContact OD1-N 2.75Å; D171-T173 PolarHBondContact OD1-OG1 3.2Å
174	S	84.4	Confident	77.8	Confident	35 Å²	35	64.2 Å²	64.2	25%	0.245	37%	0.366	C	S	.	.			trans	-131.3	141.4	-177.3	-172.9	0	0	0	0	113.1	R120 V176	R120-S174 PolarHBondContact NH2-O 3.46Å; S174-V176 PolarHBondContact OG-N 2.88Å; S174-V176 PolarHBondContact OG-O 3.49Å
175	N	83	Confident	76.7	Confident	65 Å²	65	65.3 Å²	65.3	35%	0.348	38%	0.378	S	S	.	.	S	Bend	trans	-91.2	-7.9	164.8	-77.1	-44.5	0	0	0	112.5	S184 T189 V190	N175-S184 WeakPolarHBondContact O-CB 3.17Å; N175-T189 VanDerWaalsContact OD1-CA 3.28Å; N175-T189 WeakPolarHBondContact OD1-CA 3.25Å; N175-T189 WeakPolarHBondContact OD1-CG2 3.21Å; N175-V190 PolarHBondContact OD1-N 2.62Å
176	V	71.6	Confident	76.4	Confident	80 Å²	80	65.7 Å²	65.7	49%	0.485	38%	0.38	S	S	.	.			trans	-108.7	124.2	-179.4	-177.4	0	0	0	0	108.5	S174 E178	S174-V176 PolarHBondContact OG-N 2.88Å; S174-V176 PolarHBondContact OG-O 3.49Å; V176-E178 HydrophobicContact CG1-CG 4.08Å
177	V	63.3	Low	76.2	Confident	29 Å²	29	66 Å²	66	18%	0.176	38%	0.381	C	S	.	.			trans	-95	101.7	168	-177.2	0	0	0	0	106.6	F168 D179 L180 Y187	F168-V177 HydrophobicContact CD1-CG1 4.09Å; F168-V177 HydrophobicContact CE1-CG1 4.13Å; V177-D179 PolarHBondContact O-N 3.26Å; V177-D179 VanDerWaalsContact O-N 3.11Å; V177-L180 HydrophobicContact CG1-CD1 4.12Å; V177-L180 HydrophobicContact CG1-CG 4.48Å; V177-Y187 HydrophobicContact CB-CD2 4.34Å; V177-Y187 HydrophobicContact CG1-CE2 4.47Å; V177-Y187 HydrophobicContact CG2-CD2 3.57Å; V177-Y187 HydrophobicContact CG2-CE2 4.13Å; V177-Y187 HydrophobicContact CG2-CG 4.38Å
178	E	57.6	Low	76.2	Confident	184 Å²	184	62.7 Å²	62.7	86%	0.86	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-10	-168.4	-68.7	-174.8	164.9	0	0	114.5	V176	V176-E178 HydrophobicContact CG1-CG 4.08Å
179	D	56.8	Low	76.2	Confident	149 Å²	149	62.3 Å²	62.3	80%	0.797	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	13.7	-169.2	-154.7	17.3	0	0	0	114.8	V177	V177-D179 PolarHBondContact O-N 3.26Å; V177-D179 VanDerWaalsContact O-N 3.11Å
180	L	54.8	Low	76.2	Confident	47 Å²	47	63.4 Å²	63.4	25%	0.246	37%	0.37	C	S	.	.			trans	-132.2	129.8	176.8	-66	167.4	0	0	0	108.8	V177 L182 Y187	V177-L180 HydrophobicContact CG1-CD1 4.12Å; V177-L180 HydrophobicContact CG1-CG 4.48Å; L180-L182 HydrophobicContact CB-CB 4.22Å; L180-L182 HydrophobicContact CB-CD1 4.46Å; L180-L182 PolarHBondContact O-N 2.86Å; L180-Y187 HydrophobicContact CD1-CE2 3.84Å; L180-Y187 WeakPolarHBondContact CD1-OH 3.5Å
181	S	53.4	Low	76.2	Confident	137 Å²	137	62.7 Å²	62.7	96%	0.958	37%	0.367	S	S	*	.	S	Bend	trans	-60.9	11.5	169.2	59.8	0	0	0	0	113.8
182	L	54.2	Low	76.1	Confident	56 Å²	56	63.6 Å²	63.6	29%	0.293	37%	0.374	S	S	.	.	S	Bend	trans	-94.2	118	174.5	-66.3	166.6	0	0	0	106.5	Y130 L180 V186	Y130-L182 HydrophobicContact CD1-CD1 4.46Å; Y130-L182 HydrophobicContact CE1-CD1 4.06Å; Y130-L182 HydrophobicContact CE1-CD2 4.36Å; L180-L182 HydrophobicContact CB-CB 4.22Å; L180-L182 HydrophobicContact CB-CD1 4.46Å; L180-L182 PolarHBondContact O-N 2.86Å; L182-V186 HydrophobicContact CB-CG2 4.3Å
183	T	47.5	Very low	76.1	Confident	103 Å²	103	64.6 Å²	64.6	63%	0.632	38%	0.379	S	S	*	.			trans	-46.5	145.7	175.3	50.3	0	0	0	0	110.6	S185	T183-S185 PolarHBondContact O-N 2.89Å; T183-S185 PolarHBondContact OG1-OG 3.46Å
184	S	55.1	Low	76.2	Confident	68 Å²	68	64 Å²	64	48%	0.476	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.7	5.9	177.7	55.5	0	0	0	0	118	N175	N175-S184 WeakPolarHBondContact O-CB 3.17Å
185	S	74.8	Confident	76.7	Confident	57 Å²	57	67 Å²	67	40%	0.399	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-27.1	-173.3	63.1	0	0	0	0	115.1	T183 Y187 G188	T183-S185 PolarHBondContact O-N 2.89Å; T183-S185 PolarHBondContact OG1-OG 3.46Å; S185-Y187 PolarHBondContact O-N 3.47Å; S185-G188 PolarHBondContact O-N 2.8Å
186	V	89.5	Confident	77.4	Confident	8 Å²	8	64 Å²	64	5%	0.048	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-29.6	-167.9	-57.7	0	0	0	0	113.6	Y130 L182	Y130-V186 HydrophobicContact CD1-CB 4.3Å; Y130-V186 HydrophobicContact CD1-CG2 4.36Å; Y130-V186 HydrophobicContact CD2-CB 3.87Å; Y130-V186 HydrophobicContact CD2-CG1 4.19Å; Y130-V186 HydrophobicContact CE1-CB 4.35Å; Y130-V186 HydrophobicContact CE1-CG1 4.13Å; Y130-V186 HydrophobicContact CE2-CB 3.94Å; Y130-V186 HydrophobicContact CE2-CG1 3.73Å; Y130-V186 HydrophobicContact CG-CB 4.07Å; Y130-V186 HydrophobicContact CG-CG2 4.44Å; L182-V186 HydrophobicContact CB-CG2 4.3Å
187	Y	92.7	Very high	78.6	Confident	7 Å²	7	61.5 Å²	61.5	3%	0.027	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	12.5	173.3	-59.1	-70.6	0	0	0	112.1	R120 I122 F168 Y169 V177 L180 S185	R120-Y187 WeakPolarHBondContact CD-O 3.44Å; R120-Y187 PolarHBondContact NH1-O 3.01Å; I122-Y187 WeakPolarHBondContact CG1-O 3.37Å; F168-Y187 HydrophobicContact CB-CD1 3.88Å; F168-Y187 HydrophobicContact CB-CD2 4.37Å; F168-Y187 HydrophobicContact CB-CE1 4.01Å; F168-Y187 HydrophobicContact CB-CE2 4.46Å; F168-Y187 HydrophobicContact CB-CG 4.08Å; F168-Y187 AromaticContact CD2-CE1 3.99Å; F168-Y187 HydrophobicContact CD2-CE1 3.99Å; F168-Y187 HydrophobicContact CD2-CE2 4.33Å; F168-Y187 AromaticContact CD2-CZ 3.77Å; F168-Y187 HydrophobicContact CG-CE1 4.42Å; Y169-Y187 HydrophobicContact CD1-CD1 4.28Å; Y169-Y187 HydrophobicContact CD2-CD1 4.18Å; Y169-Y187 AromaticContact CE1-CD1 3.73Å; Y169-Y187 HydrophobicContact CE1-CD1 3.73Å; Y169-Y187 AromaticContact CE2-CD1 3.62Å; Y169-Y187 HydrophobicContact CE2-CD1 3.62Å; Y169-Y187 AromaticContact CE2-CE1 3.76Å; Y169-Y187 HydrophobicContact CE2-CE1 3.76Å; Y169-Y187 HydrophobicContact CG-CD1 4.49Å; Y169-Y187 AromaticContact CZ-CD1 3.39Å; Y169-Y187 AromaticContact CZ-CE1 3.77Å; V177-Y187 HydrophobicContact CB-CD2 4.34Å; V177-Y187 HydrophobicContact CG1-CE2 4.47Å; V177-Y187 HydrophobicContact CG2-CD2 3.57Å; V177-Y187 HydrophobicContact CG2-CE2 4.13Å; V177-Y187 HydrophobicContact CG2-CG 4.38Å; L180-Y187 HydrophobicContact CD1-CE2 3.84Å; L180-Y187 WeakPolarHBondContact CD1-OH 3.5Å; S185-Y187 PolarHBondContact O-N 3.47Å
188	G	94.3	Very high	80.1	Confident	2 Å²	2	67.4 Å²	67.4	2%	0.021	38%	0.379	C	S	.	.			trans	69.4	-163.8	-179.3	0	0	0	0	0	114.2	R120 V121 S185	R120-G188 PolarHBondContact NH1-O 3.4Å; V121-G188 CarbonylContact O-C 3.52Å; V121-G188 WeakPolarHBondContact O-CA 3.44Å; S185-G188 PolarHBondContact O-N 2.8Å
189	T	94.8	Very high	81.8	Confident	62 Å²	62	62.9 Å²	62.9	38%	0.38	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131.1	-172.7	-50.2	0	0	0	0	110.6	R120 V121 N175 L191	R120-T189 WeakPolarHBondContact CA-O 3.34Å; V121-T189 PolarHBondContact N-O 2.59Å; V121-T189 PolarHBondContact O-N 3.3Å; N175-T189 VanDerWaalsContact OD1-CA 3.28Å; N175-T189 WeakPolarHBondContact OD1-CA 3.25Å; N175-T189 WeakPolarHBondContact OD1-CG2 3.21Å; T189-L191 HydrophobicContact CG2-CD2 4.02Å
190	V	95.7	Very high	83.7	Confident	22 Å²	22	55.9 Å²	55.9	13%	0.133	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	124.7	167	-173.4	0	0	0	0	109.1	Y119 R120 M172 N175	Y119-V190 CarbonylContact O-C 3.54Å; Y119-V190 WeakPolarHBondContact O-CA 3.41Å; R120-V190 HydrophobicContact CB-CG2 4.34Å; R120-V190 VanDerWaalsContact NH2-CG2 3.34Å; M172-V190 WeakPolarHBondContact O-CG1 3.27Å; M172-V190 HydrophobicContact SD-CG1 4.4Å; M172-V190 HydrophobicContact SD-CG2 4.4Å; N175-V190 PolarHBondContact OD1-N 2.62Å
191	L	94.8	Very high	85.4	Confident	23 Å²	23	55.1 Å²	55.1	12%	0.12	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	143.9	176.6	-57.1	-176	0	0	0	109.8	Y119 V121 T189 E195 F196 K199	Y119-L191 PolarHBondContact N-O 3.02Å; Y119-L191 PolarHBondContact O-N 2.99Å; V121-L191 HydrophobicContact CB-CD1 4.41Å; V121-L191 HydrophobicContact CG2-CD1 3.71Å; V121-L191 HydrophobicContact CG2-CG 4.18Å; T189-L191 HydrophobicContact CG2-CD2 4.02Å; L191-E195 HydrophobicContact CB-CB 4.02Å; L191-E195 HydrophobicContact CD2-CB 4.35Å; L191-F196 HydrophobicContact CB-CB 4.09Å; L191-F196 HydrophobicContact CD1-CB 4.34Å; L191-F196 HydrophobicContact CD1-CD2 4.34Å; L191-K199 HydrophobicContact CD1-CD 3.85Å
192	T	92.1	Very high	86.3	Confident	80 Å²	80	52 Å²	52	49%	0.491	31%	0.306	S	S	.	.			trans	-63.1	161.7	162.2	62.8	0	0	0	0	110.3	S194 E195 F196	T192-S194 PolarHBondContact O-N 3.03Å; T192-E195 WeakPolarHBondContact CB-OE2 3.37Å; T192-E195 WeakPolarHBondContact CG2-OE2 3.2Å; T192-E195 PolarHBondContact N-OE2 3.39Å; T192-E195 PolarHBondContact O-N 3.14Å; T192-E195 WeakPolarHBondContact OG1-CB 3.32Å; T192-E195 VanDerWaalsContact OG1-CD 3.22Å; T192-E195 WeakPolarHBondContact OG1-CG 3.26Å; T192-E195 PolarHBondContact OG1-N 2.9Å; T192-E195 PolarHBondContact OG1-OE2 3.38Å; T192-F196 WeakPolarHBondContact O-CB 3.44Å; T192-F196 PolarHBondContact O-N 2.82Å
193	E	96	Very high	86.5	Confident	37 Å²	37	57 Å²	57	17%	0.173	34%	0.339	C	S	.	.	H	α-helix	trans	-53.7	-43.7	175.7	-179.6	172.9	78.8	0	0	112	Q107 N108 R117 Y119 F196 F197	Q107-E193 WeakPolarHBondContact CA-OE2 3.45Å; N108-E193 WeakPolarHBondContact CB-OE2 3.31Å; N108-E193 PolarHBondContact N-OE1 3.42Å; N108-E193 PolarHBondContact N-OE2 2.85Å; R117-E193 IonicContact NH2-OE2 3.41Å; Y119-E193 HydrophobicContact CE2-CB 4.07Å; Y119-E193 HydrophobicContact CE2-CG 4.35Å; E193-F196 PolarHBondContact O-N 2.89Å; E193-F197 HydrophobicContact CG-CD1 4.35Å; E193-F197 HydrophobicContact CG-CD2 3.84Å; E193-F197 HydrophobicContact CG-CE1 3.84Å; E193-F197 HydrophobicContact CG-CE2 3.28Å; E193-F197 HydrophobicContact CG-CG 4.34Å; E193-F197 HydrophobicContact CG-CZ 3.27Å; E193-F197 WeakPolarHBondContact O-CB 3.48Å; E193-F197 WeakPolarHBondContact O-CD1 3.45Å; E193-F197 VanDerWaalsContact O-CG 3.25Å; E193-F197 WeakPolarHBondContact O-CG 3.5Å; E193-F197 PolarHBondContact O-N 2.98Å; E193-F197 WeakPolarHBondContact OE2-CZ 3.39Å
194	S	94.6	Very high	88.4	Confident	92 Å²	92	54.7 Å²	54.7	64%	0.643	33%	0.325	S	S	*	.	H	α-helix	trans	-64.7	-44.8	180	-173.9	0	0	0	0	112.2	T192 K198	T192-S194 PolarHBondContact O-N 3.03Å; S194-K198 VanDerWaalsContact O-CB 3.24Å; S194-K198 WeakPolarHBondContact O-CB 3.38Å; S194-K198 PolarHBondContact O-N 3.13Å
195	E	95	Very high	90.2	Very high	100 Å²	100	54 Å²	54	47%	0.467	32%	0.317	S	S	.	.	H	α-helix	trans	-64.7	-42.6	177.4	-71.6	165	142.3	0	0	111.7	L191 T192 K199	L191-E195 HydrophobicContact CB-CB 4.02Å; L191-E195 HydrophobicContact CD2-CB 4.35Å; T192-E195 WeakPolarHBondContact CB-OE2 3.37Å; T192-E195 WeakPolarHBondContact CG2-OE2 3.2Å; T192-E195 PolarHBondContact N-OE2 3.39Å; T192-E195 PolarHBondContact O-N 3.14Å; T192-E195 WeakPolarHBondContact OG1-CB 3.32Å; T192-E195 VanDerWaalsContact OG1-CD 3.22Å; T192-E195 WeakPolarHBondContact OG1-CG 3.26Å; T192-E195 PolarHBondContact OG1-N 2.9Å; T192-E195 PolarHBondContact OG1-OE2 3.38Å; E195-K199 VanDerWaalsContact O-CB 3.28Å; E195-K199 WeakPolarHBondContact O-CB 3.19Å; E195-K199 PolarHBondContact O-N 2.87Å
196	F	96.9	Very high	91	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.2	-47.5	177.8	-179.3	-102.7	0	0	0	111.4	V41 F73 I75 F97 L105 Y119 V121 L191 T192 E193 K199 F200	V41-F196 HydrophobicContact CB-CE2 4.44Å; V41-F196 HydrophobicContact CG1-CE2 3.67Å; V41-F196 HydrophobicContact CG1-CZ 3.9Å; V41-F196 HydrophobicContact CG2-CE2 3.86Å; V41-F196 HydrophobicContact CG2-CZ 4.22Å; F73-F196 HydrophobicContact CE2-CZ 4.32Å; F73-F196 AromaticContact CZ-CZ 4Å; F73-F196 HydrophobicContact CZ-CZ 4Å; I75-F196 HydrophobicContact CD1-CE2 4.01Å; I75-F196 HydrophobicContact CD1-CZ 3.73Å; F97-F196 AromaticContact CE2-CE1 3.8Å; F97-F196 HydrophobicContact CE2-CE1 3.8Å; F97-F196 AromaticContact CE2-CZ 3.96Å; F97-F196 HydrophobicContact CE2-CZ 3.96Å; F97-F196 HydrophobicContact CZ-CD1 4.36Å; F97-F196 AromaticContact CZ-CE1 3.82Å; F97-F196 HydrophobicContact CZ-CE1 3.82Å; F97-F196 HydrophobicContact CZ-CZ 4.36Å; L105-F196 HydrophobicContact CD1-CE1 3.81Å; Y119-F196 HydrophobicContact CD1-CB 4.27Å; Y119-F196 AromaticContact CD1-CD1 3.3Å; Y119-F196 HydrophobicContact CD1-CD1 3.3Å; Y119-F196 AromaticContact CD1-CD2 3.82Å; Y119-F196 HydrophobicContact CD1-CD2 3.82Å; Y119-F196 AromaticContact CD1-CE1 3.45Å; Y119-F196 HydrophobicContact CD1-CE1 3.45Å; Y119-F196 VanDerWaalsContact CD1-CE1 3.45Å; Y119-F196 AromaticContact CD1-CE2 3.92Å; Y119-F196 HydrophobicContact CD1-CE2 3.92Å; Y119-F196 AromaticContact CD1-CG 3.53Å; Y119-F196 HydrophobicContact CD1-CG 3.53Å; Y119-F196 AromaticContact CD1-CZ 3.75Å; Y119-F196 HydrophobicContact CD1-CZ 3.75Å; Y119-F196 HydrophobicContact CD2-CB 4.05Å; Y119-F196 HydrophobicContact CD2-CD1 4.35Å; Y119-F196 HydrophobicContact CD2-CG 4.2Å; Y119-F196 AromaticContact CE1-CD1 3.5Å; Y119-F196 HydrophobicContact CE1-CD1 3.5Å; Y119-F196 VanDerWaalsContact CE1-CD1 3.5Å; Y119-F196 AromaticContact CE1-CE1 3.58Å; Y119-F196 HydrophobicContact CE1-CE1 3.58Å; Y119-F196 HydrophobicContact CE1-CG 4.17Å; Y119-F196 HydrophobicContact CE1-CZ 4.27Å; Y119-F196 HydrophobicContact CG-CB 3.87Å; Y119-F196 AromaticContact CG-CD1 3.8Å; Y119-F196 HydrophobicContact CG-CD1 3.8Å; Y119-F196 AromaticContact CG-CD2 3.9Å; Y119-F196 HydrophobicContact CG-CD2 3.9Å; Y119-F196 HydrophobicContact CG-CE1 4.35Å; Y119-F196 HydrophobicContact CG-CE2 4.4Å; Y119-F196 AromaticContact CG-CG 3.58Å; Y119-F196 HydrophobicContact CG-CG 3.58Å; V121-F196 HydrophobicContact CG2-CD2 3.72Å; V121-F196 HydrophobicContact CG2-CE2 3.87Å; L191-F196 HydrophobicContact CB-CB 4.09Å; L191-F196 HydrophobicContact CD1-CB 4.34Å; L191-F196 HydrophobicContact CD1-CD2 4.34Å; T192-F196 WeakPolarHBondContact O-CB 3.44Å; T192-F196 PolarHBondContact O-N 2.82Å; E193-F196 PolarHBondContact O-N 2.89Å; F196-K199 PolarHBondContact O-N 3.44Å; F196-F200 AromaticContact CD2-CD2 3.73Å; F196-F200 HydrophobicContact CD2-CD2 3.73Å; F196-F200 AromaticContact CD2-CE2 3.63Å; F196-F200 HydrophobicContact CD2-CE2 3.63Å; F196-F200 AromaticContact CE2-CD2 3.53Å; F196-F200 HydrophobicContact CE2-CD2 3.53Å; F196-F200 AromaticContact CE2-CE2 3.4Å; F196-F200 HydrophobicContact CE2-CE2 3.4Å; F196-F200 HydrophobicContact CG-CD2 4.33Å; F196-F200 AromaticContact CZ-CD2 3.97Å; F196-F200 HydrophobicContact CZ-CD2 3.97Å; F196-F200 HydrophobicContact CZ-CE2 4.22Å; F196-F200 WeakPolarHBondContact O-CD2 3.48Å; F196-F200 PolarHBondContact O-N 2.87Å
197	F	96	Very high	91.1	Very high	29 Å²	29	56.5 Å²	56.5	13%	0.127	33%	0.328	C	S	.	.	H	α-helix	trans	-63.9	-47	178.7	-67.2	-3.3	0	0	0	111.2	L101 L105 Q107 E193 K199 F200 S201	L101-F197 HydrophobicContact CD1-CD1 3.54Å; L101-F197 HydrophobicContact CD1-CD2 3.89Å; L101-F197 HydrophobicContact CD1-CE1 3.24Å; L101-F197 HydrophobicContact CD1-CE2 3.57Å; L101-F197 HydrophobicContact CD1-CG 3.89Å; L101-F197 HydrophobicContact CD1-CZ 3.24Å; L101-F197 HydrophobicContact CD2-CD1 4.39Å; L101-F197 HydrophobicContact CD2-CD2 4.39Å; L101-F197 HydrophobicContact CD2-CG 4.19Å; L105-F197 HydrophobicContact CD1-CE1 4.28Å; Q107-F197 HydrophobicContact CG-CE2 4.17Å; E193-F197 HydrophobicContact CG-CD1 4.35Å; E193-F197 HydrophobicContact CG-CD2 3.84Å; E193-F197 HydrophobicContact CG-CE1 3.84Å; E193-F197 HydrophobicContact CG-CE2 3.28Å; E193-F197 HydrophobicContact CG-CG 4.34Å; E193-F197 HydrophobicContact CG-CZ 3.27Å; E193-F197 WeakPolarHBondContact O-CB 3.48Å; E193-F197 WeakPolarHBondContact O-CD1 3.45Å; E193-F197 VanDerWaalsContact O-CG 3.25Å; E193-F197 WeakPolarHBondContact O-CG 3.5Å; E193-F197 PolarHBondContact O-N 2.98Å; E193-F197 WeakPolarHBondContact OE2-CZ 3.39Å; F197-K199 VanDerWaalsContact C-N 3.29Å; F197-K199 PolarHBondContact O-N 3.27Å; F197-F200 PolarHBondContact O-N 3.46Å; F197-S201 WeakPolarHBondContact O-CB 3.27Å; F197-S201 PolarHBondContact O-N 3.17Å; F197-S201 PolarHBondContact O-OG 2.83Å
198	K	94.8	Very high	91	Very high	153 Å²	153	59.6 Å²	59.6	67%	0.665	35%	0.346	S	S	*	.	H	α-helix	trans	-58.7	-39	177.2	-176.1	177.7	179.3	179.9	0	112.5	S194 F200	S194-K198 VanDerWaalsContact O-CB 3.24Å; S194-K198 WeakPolarHBondContact O-CB 3.38Å; S194-K198 PolarHBondContact O-N 3.13Å; K198-F200 VanDerWaalsContact C-N 3.32Å; K198-F200 PolarHBondContact O-N 2.96Å
199	K	94.7	Very high	90.8	Very high	89 Å²	89	63.5 Å²	63.5	39%	0.387	37%	0.368	S	S	.	.	H	α-helix	trans	-63.4	-36.4	-179.8	-177.9	169.2	-179.1	167.9	0	112.9	L191 E195 F196 F197	L191-K199 HydrophobicContact CD1-CD 3.85Å; E195-K199 VanDerWaalsContact O-CB 3.28Å; E195-K199 WeakPolarHBondContact O-CB 3.19Å; E195-K199 PolarHBondContact O-N 2.87Å; F196-K199 PolarHBondContact O-N 3.44Å; F197-K199 VanDerWaalsContact C-N 3.29Å; F197-K199 PolarHBondContact O-N 3.27Å
200	F	96.2	Very high	90.5	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.009	37%	0.367	C	S	.	.	H	α-helix	trans	-117	-12.1	-167.6	-64.7	-62	0	0	0	115.3	Y39 I75 Y82 F97 V121 F196 F197 K198 G202	Y39-F200 HydrophobicContact CD2-CE1 4.02Å; Y39-F200 HydrophobicContact CD2-CZ 4.49Å; Y39-F200 HydrophobicContact CE2-CE1 4.44Å; Y39-F200 HydrophobicContact CG-CE1 4.21Å; Y39-F200 HydrophobicContact CG-CZ 4.22Å; I75-F200 HydrophobicContact CB-CE1 4.38Å; I75-F200 HydrophobicContact CD1-CB 4.32Å; I75-F200 HydrophobicContact CD1-CD1 3.95Å; I75-F200 HydrophobicContact CD1-CD2 3.56Å; I75-F200 HydrophobicContact CD1-CE1 4.06Å; I75-F200 HydrophobicContact CD1-CE2 3.7Å; I75-F200 HydrophobicContact CD1-CG 3.68Å; I75-F200 HydrophobicContact CD1-CZ 3.93Å; I75-F200 HydrophobicContact CG2-CD1 3.81Å; I75-F200 HydrophobicContact CG2-CE1 3.92Å; I75-F200 HydrophobicContact CG2-CG 4.47Å; Y82-F200 AromaticContact CD1-CD1 3.62Å; Y82-F200 HydrophobicContact CD1-CD1 3.62Å; Y82-F200 HydrophobicContact CD1-CE1 4.14Å; Y82-F200 HydrophobicContact CD2-CB 4.34Å; Y82-F200 HydrophobicContact CD2-CD1 4.19Å; Y82-F200 WeakPolarHBondContact CD2-O 3.44Å; Y82-F200 AromaticContact CE1-CD1 3.61Å; Y82-F200 HydrophobicContact CE1-CD1 3.61Å; Y82-F200 AromaticContact CE1-CE1 3.89Å; Y82-F200 HydrophobicContact CE1-CE1 3.89Å; Y82-F200 HydrophobicContact CE2-CD1 4.19Å; Y82-F200 HydrophobicContact CG-CB 4.4Å; Y82-F200 AromaticContact CG-CD1 3.89Å; Y82-F200 HydrophobicContact CG-CD1 3.89Å; Y82-F200 AromaticContact CZ-CD1 3.9Å; F97-F200 HydrophobicContact CD1-CB 3.76Å; F97-F200 WeakPolarHBondContact CD1-O 3.23Å; F97-F200 HydrophobicContact CD2-CB 3.81Å; F97-F200 HydrophobicContact CE1-CB 3.52Å; F97-F200 HydrophobicContact CE2-CB 3.58Å; F97-F200 HydrophobicContact CE2-CD2 4.39Å; F97-F200 HydrophobicContact CE2-CG 4.27Å; F97-F200 HydrophobicContact CG-CB 3.9Å; F97-F200 HydrophobicContact CZ-CB 3.44Å; F97-F200 VanDerWaalsContact CZ-CB 3.44Å; F97-F200 HydrophobicContact CZ-CD2 4.5Å; F97-F200 HydrophobicContact CZ-CG 4.4Å; V121-F200 HydrophobicContact CG1-CE2 4.16Å; V121-F200 HydrophobicContact CG1-CZ 3.78Å; V121-F200 HydrophobicContact CG2-CE2 4.07Å; F196-F200 AromaticContact CD2-CD2 3.73Å; F196-F200 HydrophobicContact CD2-CD2 3.73Å; F196-F200 AromaticContact CD2-CE2 3.63Å; F196-F200 HydrophobicContact CD2-CE2 3.63Å; F196-F200 AromaticContact CE2-CD2 3.53Å; F196-F200 HydrophobicContact CE2-CD2 3.53Å; F196-F200 AromaticContact CE2-CE2 3.4Å; F196-F200 HydrophobicContact CE2-CE2 3.4Å; F196-F200 HydrophobicContact CG-CD2 4.33Å; F196-F200 AromaticContact CZ-CD2 3.97Å; F196-F200 HydrophobicContact CZ-CD2 3.97Å; F196-F200 HydrophobicContact CZ-CE2 4.22Å; F196-F200 WeakPolarHBondContact O-CD2 3.48Å; F196-F200 PolarHBondContact O-N 2.87Å; F197-F200 PolarHBondContact O-N 3.46Å; K198-F200 VanDerWaalsContact C-N 3.32Å; K198-F200 PolarHBondContact O-N 2.96Å; F200-G202 PolarHBondContact O-N 2.8Å
201	S	89.3	Confident	90.1	Very high	30 Å²	30	66.8 Å²	66.8	21%	0.21	39%	0.385	C	S	.	.	H	α-helix	trans	-71	-20.2	175.7	63.8	0	0	0	0	113	F197 V203	F197-S201 WeakPolarHBondContact O-CB 3.27Å; F197-S201 PolarHBondContact O-N 3.17Å; F197-S201 PolarHBondContact O-OG 2.83Å; S201-V203 PolarHBondContact OG-N 3.4Å; S201-V203 PolarHBondContact OG-O 2.91Å
202	G	73.9	Confident	89.7	Confident	71 Å²	71	70.4 Å²	70.4	73%	0.732	41%	0.407	S	S	*	.			trans	73.6	14.9	-173.1	0	0	0	0	0	113.6	F200	F200-G202 PolarHBondContact O-N 2.8Å
203	V	56.7	Low	89.5	Confident	162 Å²	162	69.5 Å²	69.5	98%	0.982	40%	0.4	S	S	*	.			trans	-122.5	0	179.5	-142.6	0	0	0	0	110.9	S201	S201-V203 PolarHBondContact OG-N 3.4Å; S201-V203 PolarHBondContact OG-O 2.91Å

Retrieved 203 of 203 residues in 51.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).