A0A2K5VE69_MACFA Loading...

Zinc finger FYVE-type containing 21

AlphaFold DB , UniProt , Accession A0A2K5VE69, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene ZFYVE21, Length 252 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.8	Very low	67.4	Low	206 Å²	206	93.5 Å²	93.5	100%	1.015	52%	0.52	S	S	*	.				0	-37	0	-62.9	-177.7	89.1	0	0	113
2	S	59.7	Low	69.4	Low	104 Å²	104	95.6 Å²	95.6	73%	0.727	52%	0.519	S	S	*	.	H	α-helix	trans	-67.9	-38.1	178.4	-179.1	0	0	0	0	114.9	E4 V5 S6	S2-E4 PolarHBondContact O-N 2.92Å; S2-V5 PolarHBondContact O-N 2.79Å; S2-S6 PolarHBondContact O-N 2.82Å
3	S	61.4	Low	71.3	Confident	96 Å²	96	95.8 Å²	95.8	67%	0.671	51%	0.512	S	S	*	.	H	α-helix	trans	-64.8	-37.9	-177.8	51.1	0	0	0	0	114.1	S6 A7	S3-S6 PolarHBondContact O-N 2.88Å; S3-A7 WeakPolarHBondContact O-CB 3.4Å; S3-A7 PolarHBondContact O-N 2.9Å
4	E	62.3	Low	73.1	Confident	116 Å²	116	96.7 Å²	96.7	54%	0.542	52%	0.516	S	S	.	.	H	α-helix	trans	-72.3	-36.3	-179.2	-158.4	-173	150.7	0	0	111.8	S2 A7 R8	S2-E4 PolarHBondContact O-N 2.92Å; E4-A7 PolarHBondContact O-N 3.3Å; E4-R8 WeakPolarHBondContact O-CG 2.96Å; E4-R8 PolarHBondContact O-N 2.98Å; E4-R8 VanDerWaalsContact O-N 3.08Å; E4-R8 IonicContact OE1-CZ 2.9Å; E4-R8 IonicContact OE1-NE 3.88Å; E4-R8 IonicContact OE1-NH2 3.75Å; E4-R8 PolarHBondContact OE1-NH2 2.83Å
5	V	64.9	Low	74.5	Confident	78 Å²	78	94 Å²	94	47%	0.473	50%	0.504	S	S	.	.	H	α-helix	trans	-67.5	-42.7	173.9	177.7	0	0	0	0	110.6	S2 A7 R8 R9	S2-V5 PolarHBondContact O-N 2.79Å; V5-A7 VanDerWaalsContact C-N 3.34Å; V5-A7 PolarHBondContact O-N 2.98Å; V5-R8 PolarHBondContact O-N 3.27Å; V5-R9 WeakPolarHBondContact O-CG 3.44Å; V5-R9 PolarHBondContact O-N 2.87Å; V5-R9 VanDerWaalsContact O-N 3.11Å
6	S	66.7	Low	75.7	Confident	57 Å²	57	102.2 Å²	102.2	40%	0.399	53%	0.526	S	S	.	.	H	α-helix	trans	-61.6	-41.8	174	-167.8	0	0	0	0	111.9	S2 S3 R8 R9 D10	S2-S6 PolarHBondContact O-N 2.82Å; S3-S6 PolarHBondContact O-N 2.88Å; S6-R8 VanDerWaalsContact C-N 3.33Å; S6-R8 PolarHBondContact O-N 2.87Å; S6-R9 PolarHBondContact O-N 2.9Å; S6-D10 PolarHBondContact O-N 2.89Å
7	A	67.3	Low	76.5	Confident	65 Å²	65	97.6 Å²	97.6	54%	0.537	51%	0.505	S	S	.	.	H	α-helix	trans	-62.1	-39.2	177.4	0	0	0	0	0	112.3	S3 E4 V5 D10 A11	S3-A7 WeakPolarHBondContact O-CB 3.4Å; S3-A7 PolarHBondContact O-N 2.9Å; E4-A7 PolarHBondContact O-N 3.3Å; V5-A7 VanDerWaalsContact C-N 3.34Å; V5-A7 PolarHBondContact O-N 2.98Å; A7-D10 PolarHBondContact O-N 2.64Å; A7-A11 PolarHBondContact O-N 3.35Å
8	R	71.9	Confident	76.9	Confident	165 Å²	165	98.2 Å²	98.2	62%	0.623	52%	0.516	S	S	*	.	H	α-helix	trans	-67.5	-35.5	175.3	-69.5	179.4	-168.6	-161.1	6.5	113	E4 V5 S6 D10 A11	E4-R8 WeakPolarHBondContact O-CG 2.96Å; E4-R8 PolarHBondContact O-N 2.98Å; E4-R8 VanDerWaalsContact O-N 3.08Å; E4-R8 IonicContact OE1-CZ 2.9Å; E4-R8 IonicContact OE1-NE 3.88Å; E4-R8 IonicContact OE1-NH2 3.75Å; E4-R8 PolarHBondContact OE1-NH2 2.83Å; V5-R8 PolarHBondContact O-N 3.27Å; S6-R8 VanDerWaalsContact C-N 3.33Å; S6-R8 PolarHBondContact O-N 2.87Å; R8-D10 VanDerWaalsContact C-N 3.26Å; R8-D10 PolarHBondContact O-N 3.26Å; R8-A11 PolarHBondContact O-N 3.43Å
9	R	76	Confident	77.6	Confident	68 Å²	68	93.4 Å²	93.4	26%	0.257	49%	0.491	S	S	.	.	H	α-helix	trans	-65.7	-29.1	177.3	-73.1	176.9	177.6	-172.9	-1.6	112.8	V5 S6 F30 N143 E156	V5-R9 WeakPolarHBondContact O-CG 3.44Å; V5-R9 PolarHBondContact O-N 2.87Å; V5-R9 VanDerWaalsContact O-N 3.11Å; S6-R9 PolarHBondContact O-N 2.9Å; R9-F30 HydrophobicContact CB-CD1 4.47Å; R9-F30 HydrophobicContact CG-CD1 4.11Å; R9-F30 HydrophobicContact CG-CE1 3.95Å; R9-F30 HydrophobicContact CG-CZ 4.27Å; R9-F30 WeakPolarHBondContact O-CB 3.49Å; R9-N143 PolarHBondContact O-ND2 2.78Å; R9-E156 IonicContact NH1-OE1 3.82Å; R9-E156 PolarHBondContact NH1-OE1 2.9Å; R9-E156 IonicContact NH1-OE2 3.98Å
10	D	80.3	Confident	78.2	Confident	48 Å²	48	90.1 Å²	90.1	26%	0.257	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	0.3	-176.7	-70.6	-24.4	0	0	0	113.5	S6 A7 R8 K12 N142	S6-D10 PolarHBondContact O-N 2.89Å; A7-D10 PolarHBondContact O-N 2.64Å; R8-D10 VanDerWaalsContact C-N 3.26Å; R8-D10 PolarHBondContact O-N 3.26Å; D10-K12 PolarHBondContact O-N 2.97Å; D10-N142 WeakPolarHBondContact OD1-CB 3.37Å; D10-N142 WeakPolarHBondContact OD2-CB 3.2Å; D10-N142 PolarHBondContact OD2-ND2 2.82Å
11	A	87.8	Confident	79.1	Confident	26 Å²	26	88.3 Å²	88.3	22%	0.215	47%	0.471	C	S	.	.			trans	-63.2	127.8	-179.1	0	0	0	0	0	111.6	A7 R8 E26	A7-A11 PolarHBondContact O-N 3.35Å; R8-A11 PolarHBondContact O-N 3.43Å; A11-E26 HydrophobicContact CB-CB 4.25Å; A11-E26 HydrophobicContact CB-CG 4Å; A11-E26 PolarHBondContact O-N 2.84Å
12	K	91.9	Very high	81.6	Confident	118 Å²	118	80 Å²	80	51%	0.513	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	146.5	-179.1	-66.6	174.4	-170.1	176.2	0	110.1	D10 M23 V24	D10-K12 PolarHBondContact O-N 2.97Å; K12-M23 HydrophobicContact CB-CG 3.92Å; K12-M23 HydrophobicContact CB-SD 4.45Å; K12-M23 HydrophobicContact CD-CG 4Å; K12-M23 HydrophobicContact CD-SD 3.94Å; K12-M23 HydrophobicContact CG-CG 4.47Å; K12-V24 CarbonylContact C-O 3.6Å; K12-V24 VanDerWaalsContact CA-O 3.28Å; K12-V24 WeakPolarHBondContact CA-O 3.46Å
13	K	94.1	Very high	83.2	Confident	99 Å²	99	79.1 Å²	79.1	43%	0.43	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	149.6	175	62.7	-177.5	178.8	-164.7	0	111.2	V15 V24 E26	K13-V15 HydrophobicContact CD-CG2 4.39Å; K13-V15 HydrophobicContact CG-CG2 4.15Å; K13-V24 HydrophobicContact CG-CG2 3.8Å; K13-V24 PolarHBondContact N-O 3.2Å; K13-V24 PolarHBondContact O-N 3.33Å; K13-E26 HydrophobicContact CB-CG 4.11Å; K13-E26 HydrophobicContact CD-CG 4.35Å; K13-E26 HydrophobicContact CG-CG 4.27Å
14	L	95.9	Very high	84.7	Confident	108 Å²	108	75.8 Å²	75.8	57%	0.565	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	130	171.1	-72.1	171.6	0	0	0	109.8	L21 R22 M23 V90	L14-L21 HydrophobicContact CB-CD1 4.33Å; L14-L21 HydrophobicContact CD2-CD1 4.44Å; L14-L21 HydrophobicContact CD2-CD2 4.14Å; L14-L21 HydrophobicContact CD2-CG 4.14Å; L14-R22 CarbonylContact C-O 3.55Å; L14-R22 WeakPolarHBondContact CA-O 3.44Å; L14-M23 HydrophobicContact CD2-CB 4.09Å; L14-M23 HydrophobicContact CD2-CE 4.05Å; L14-M23 HydrophobicContact CD2-CG 4.48Å; L14-V90 HydrophobicContact CD2-CG2 3.97Å
15	V	94.4	Very high	86.2	Confident	56 Å²	56	72 Å²	72	34%	0.339	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135.3	177.4	177.3	0	0	0	0	108.9	K13 R22 V24	K13-V15 HydrophobicContact CD-CG2 4.39Å; K13-V15 HydrophobicContact CG-CG2 4.15Å; V15-R22 PolarHBondContact N-O 2.85Å; V15-R22 PolarHBondContact O-N 3.44Å; V15-V24 HydrophobicContact CB-CG2 4.29Å; V15-V24 HydrophobicContact CG2-CG2 3.54Å
16	R	93.8	Very high	87.4	Confident	225 Å²	225	73.9 Å²	73.9	85%	0.849	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	130.1	171.7	-71.7	-175.1	175.6	-152.7	-1	109.6	L21	R16-L21 HydrophobicContact CG-CD1 3.7Å
17	S	89.3	Confident	88.4	Confident	25 Å²	25	76.5 Å²	76.5	18%	0.175	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	165.5	173.7	67.3	0	0	0	0	109.9	S19 G20 E38	S17-S19 PolarHBondContact O-N 3.24Å; S17-S19 VanDerWaalsContact O-N 3.16Å; S17-S19 PolarHBondContact OG-N 3.03Å; S17-G20 PolarHBondContact N-O 2.83Å; S17-G20 PolarHBondContact O-N 2.86Å; S17-G20 VanDerWaalsContact O-N 3.11Å; S17-G20 PolarHBondContact OG-N 2.89Å; S17-G20 VanDerWaalsContact OG-N 3.11Å; S17-G20 PolarHBondContact OG-O 3.34Å; S17-E38 VanDerWaalsContact CB-OE2 3.31Å; S17-E38 WeakPolarHBondContact CB-OE2 3.19Å; S17-E38 PolarHBondContact OG-OE2 2.87Å
18	P	84.1	Confident	89.1	Confident	108 Å²	108	83.9 Å²	83.9	70%	0.701	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-26.7	168.7	-25.2	35.8	0	0	0	113.3
19	S	89	Confident	89.7	Confident	6 Å²	6	78.5 Å²	78.5	4%	0.042	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-18.9	179	-66.5	0	0	0	0	114.8	S17 E38 W41 F89	S17-S19 PolarHBondContact O-N 3.24Å; S17-S19 VanDerWaalsContact O-N 3.16Å; S17-S19 PolarHBondContact OG-N 3.03Å; S19-E38 WeakPolarHBondContact CB-OE1 3.44Å; S19-E38 PolarHBondContact OG-OE1 2.83Å; S19-W41 VanDerWaalsContact OG-CZ2 3.28Å; S19-W41 WeakPolarHBondContact OG-CZ2 3.44Å; S19-W41 PolarHBondContact OG-NE1 3.38Å; S19-W41 VanDerWaalsContact OG-NE1 3.15Å; S19-F89 VanDerWaalsContact CB-CE1 3.5Å
20	G	91.4	Very high	90.2	Very high	28 Å²	28	78 Å²	78	29%	0.289	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	141.6	-170.2	-178.1	0	0	0	0	0	114.2	S17	S17-G20 PolarHBondContact N-O 2.83Å; S17-G20 PolarHBondContact O-N 2.86Å; S17-G20 VanDerWaalsContact O-N 3.11Å; S17-G20 PolarHBondContact OG-N 2.89Å; S17-G20 VanDerWaalsContact OG-N 3.11Å; S17-G20 PolarHBondContact OG-O 3.34Å
21	L	95.5	Very high	90.6	Very high	53 Å²	53	76.3 Å²	76.3	28%	0.277	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	131.6	177.1	-170.6	68.5	0	0	0	110.6	L14 R16 V90	L14-L21 HydrophobicContact CB-CD1 4.33Å; L14-L21 HydrophobicContact CD2-CD1 4.44Å; L14-L21 HydrophobicContact CD2-CD2 4.14Å; L14-L21 HydrophobicContact CD2-CG 4.14Å; R16-L21 HydrophobicContact CG-CD1 3.7Å; L21-V90 HydrophobicContact CD2-CG2 4.31Å; L21-V90 HydrophobicContact CG-CG2 4.17Å; L21-V90 PolarHBondContact O-N 2.88Å
22	R	95.4	Very high	90.8	Very high	30 Å²	30	76.7 Å²	76.7	11%	0.113	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140.9	-178.5	-63.4	171.3	67	-162.7	-5.5	110.8	L14 V15 V24 E38 M87 C88 F89	L14-R22 CarbonylContact C-O 3.55Å; L14-R22 WeakPolarHBondContact CA-O 3.44Å; V15-R22 PolarHBondContact N-O 2.85Å; V15-R22 PolarHBondContact O-N 3.44Å; R22-V24 HydrophobicContact CB-CG1 4.09Å; R22-E38 IonicContact CZ-OE2 3.38Å; R22-E38 IonicContact NE-OE2 3.36Å; R22-E38 VanDerWaalsContact NH1-CB 3.35Å; R22-E38 IonicContact NH1-OE2 2.78Å; R22-E38 PolarHBondContact NH1-OE2 2.79Å; R22-M87 PolarHBondContact NE-O 3.09Å; R22-M87 PolarHBondContact NH2-O 3.15Å; R22-C88 CarbonylContact C-O 3.58Å; R22-C88 WeakPolarHBondContact CA-O 3.47Å; R22-F89 HydrophobicContact CG-CD1 3.51Å; R22-F89 HydrophobicContact CG-CE1 3.49Å; R22-F89 VanDerWaalsContact CG-CE1 3.49Å; R22-F89 HydrophobicContact CG-CG 4.06Å; R22-F89 HydrophobicContact CG-CZ 4.03Å
23	M	94.4	Very high	90.8	Very high	87 Å²	87	72.1 Å²	72.1	43%	0.429	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	94.7	173.3	-176	179	-68.2	0	0	109.6	K12 L14 C88 V90	K12-M23 HydrophobicContact CB-CG 3.92Å; K12-M23 HydrophobicContact CB-SD 4.45Å; K12-M23 HydrophobicContact CD-CG 4Å; K12-M23 HydrophobicContact CD-SD 3.94Å; K12-M23 HydrophobicContact CG-CG 4.47Å; L14-M23 HydrophobicContact CD2-CB 4.09Å; L14-M23 HydrophobicContact CD2-CE 4.05Å; L14-M23 HydrophobicContact CD2-CG 4.48Å; M23-C88 PolarHBondContact N-O 3.2Å; M23-C88 VanDerWaalsContact O-CB 3.31Å; M23-C88 WeakPolarHBondContact O-CB 3.37Å; M23-V90 HydrophobicContact CB-CG2 4.03Å
24	V	93.1	Very high	90.6	Very high	25 Å²	25	67.5 Å²	67.5	15%	0.152	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	154.9	-173	-60.1	0	0	0	0	111	K12 K13 V15 R22 C88	K12-V24 CarbonylContact C-O 3.6Å; K12-V24 VanDerWaalsContact CA-O 3.28Å; K12-V24 WeakPolarHBondContact CA-O 3.46Å; K13-V24 HydrophobicContact CG-CG2 3.8Å; K13-V24 PolarHBondContact N-O 3.2Å; K13-V24 PolarHBondContact O-N 3.33Å; V15-V24 HydrophobicContact CB-CG2 4.29Å; V15-V24 HydrophobicContact CG2-CG2 3.54Å; R22-V24 HydrophobicContact CB-CG1 4.09Å; V24-C88 HydrophobicContact CG1-CB 4.16Å
25	P	92.1	Very high	90.4	Very high	36 Å²	36	63.7 Å²	63.7	23%	0.234	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	145.2	169.8	-14.6	23.5	0	0	0	111	H27 G31	P25-H27 VanDerWaalsContact C-N 3.3Å; P25-H27 PolarHBondContact O-N 2.98Å; P25-G31 VanDerWaalsContact CG-CA 3.47Å
26	E	90.1	Very high	90.2	Very high	118 Å²	118	62.3 Å²	62.3	55%	0.551	32%	0.323	S	S	*	.	S	Bend	trans	-63.5	-40.8	173.7	-75.4	-170.4	172.5	0	0	111.7	A11 K13	A11-E26 HydrophobicContact CB-CB 4.25Å; A11-E26 HydrophobicContact CB-CG 4Å; A11-E26 PolarHBondContact O-N 2.84Å; K13-E26 HydrophobicContact CB-CG 4.11Å; K13-E26 HydrophobicContact CD-CG 4.35Å; K13-E26 HydrophobicContact CG-CG 4.27Å
27	H	88.3	Confident	90.1	Very high	112 Å²	112	58.4 Å²	58.4	52%	0.519	32%	0.315	S	S	.	.	S	Bend	trans	-116.2	126.3	179.2	-165.5	-84.1	0	0	0	111.2	P25 A29 F30	P25-H27 VanDerWaalsContact C-N 3.3Å; P25-H27 PolarHBondContact O-N 2.98Å; H27-A29 VanDerWaalsContact C-N 3.25Å; H27-A29 VanDerWaalsContact ND1-CB 3.3Å; H27-A29 WeakPolarHBondContact ND1-CB 3.34Å; H27-A29 PolarHBondContact ND1-N 2.9Å; H27-A29 PolarHBondContact O-N 2.85Å; H27-F30 HydrophobicContact CB-CD2 3.72Å; H27-F30 HydrophobicContact CB-CE2 4.02Å; H27-F30 PolarHBondContact O-N 2.84Å
28	R	82.5	Confident	90.2	Very high	221 Å²	221	59.3 Å²	59.3	83%	0.834	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-58.4	-34.1	-174.1	-72.4	-175.8	173.1	176.3	-3.2	113.6	F30 G31	R28-F30 PolarHBondContact O-N 3.26Å; R28-F30 VanDerWaalsContact O-N 3.07Å; R28-G31 PolarHBondContact O-N 2.81Å
29	A	85.3	Confident	90.7	Very high	51 Å²	51	55.6 Å²	55.6	42%	0.421	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-60.8	-18.1	177.7	0	0	0	0	0	113.5	H27 R145	H27-A29 VanDerWaalsContact C-N 3.25Å; H27-A29 VanDerWaalsContact ND1-CB 3.3Å; H27-A29 WeakPolarHBondContact ND1-CB 3.34Å; H27-A29 PolarHBondContact ND1-N 2.9Å; H27-A29 PolarHBondContact O-N 2.85Å; A29-R145 WeakPolarHBondContact O-CD 3.3Å; A29-R145 PolarHBondContact O-NE 3.11Å; A29-R145 VanDerWaalsContact O-NE 3.13Å; A29-R145 PolarHBondContact O-NH1 3.32Å
30	F	85.5	Confident	91	Very high	58 Å²	58	64 Å²	64	25%	0.254	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-103.1	13.5	178.2	-52.9	-49.3	0	0	0	113.6	R9 H27 R28	R9-F30 HydrophobicContact CB-CD1 4.47Å; R9-F30 HydrophobicContact CG-CD1 4.11Å; R9-F30 HydrophobicContact CG-CE1 3.95Å; R9-F30 HydrophobicContact CG-CZ 4.27Å; R9-F30 WeakPolarHBondContact O-CB 3.49Å; H27-F30 HydrophobicContact CB-CD2 3.72Å; H27-F30 HydrophobicContact CB-CE2 4.02Å; H27-F30 PolarHBondContact O-N 2.84Å; R28-F30 PolarHBondContact O-N 3.26Å; R28-F30 VanDerWaalsContact O-N 3.07Å
31	G	89.2	Confident	91.2	Very high	13 Å²	13	66.1 Å²	66.1	13%	0.134	33%	0.33	C	S	.	.	S	Bend	trans	-63.3	155.1	175	0	0	0	0	0	113.9	P25 R28 R145	P25-G31 VanDerWaalsContact CG-CA 3.47Å; R28-G31 PolarHBondContact O-N 2.81Å; G31-R145 WeakPolarHBondContact O-CD 3.38Å; G31-R145 WeakPolarHBondContact O-CG 3.37Å; G31-R145 PolarHBondContact O-NH1 3.49Å
32	S	91.9	Very high	91.2	Very high	33 Å²	33	65.1 Å²	65.1	23%	0.231	33%	0.327	C	S	.	.			trans	-67.5	135.3	172.8	-172.4	0	0	0	0	109.7	F34 G35 N143 Q144	S32-F34 PolarHBondContact O-N 2.82Å; S32-F34 WeakPolarHBondContact OG-CD2 3.36Å; S32-G35 PolarHBondContact O-N 2.76Å; S32-N143 VanDerWaalsContact CA-O 3.27Å; S32-N143 WeakPolarHBondContact CA-O 3.44Å; S32-Q144 PolarHBondContact OG-OE1 2.79Å
33	P	91.3	Very high	91.3	Very high	22 Å²	22	66.9 Å²	66.9	14%	0.143	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-13.4	175.6	31.3	-34.3	0	0	0	112	G35 Q144 I159 V160 L246	P33-G35 VanDerWaalsContact C-N 3.27Å; P33-Q144 WeakPolarHBondContact CD-O 3.33Å; P33-Q144 WeakPolarHBondContact CG-O 3.49Å; P33-I159 HydrophobicContact CB-CG2 4.39Å; P33-I159 HydrophobicContact CG-CB 4.34Å; P33-I159 HydrophobicContact CG-CG2 3.89Å; P33-V160 HydrophobicContact CB-CG1 3.9Å; P33-L246 HydrophobicContact CB-CD2 3.77Å; P33-L246 HydrophobicContact CG-CD2 4.01Å; P33-L246 WeakPolarHBondContact O-CD2 3.33Å
34	F	90.9	Very high	91.3	Very high	2 Å²	2	67 Å²	67	1%	0.009	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-8.3	171.6	-56	-87.4	0	0	0	112.9	S32 R86 F109 Y110 Q144 I159 A242 L245 L246	S32-F34 PolarHBondContact O-N 2.82Å; S32-F34 WeakPolarHBondContact OG-CD2 3.36Å; F34-R86 PolarHBondContact O-NE 3.45Å; F34-F109 HydrophobicContact CD1-CE1 4.38Å; F34-F109 HydrophobicContact CE1-CE1 4.43Å; F34-F109 HydrophobicContact CE1-CZ 4.12Å; F34-Y110 WeakPolarHBondContact CB-OH 3.05Å; F34-Q144 HydrophobicContact CD2-CB 3.76Å; F34-Q144 HydrophobicContact CD2-CG 4.35Å; F34-Q144 HydrophobicContact CE2-CB 3.57Å; F34-Q144 HydrophobicContact CE2-CG 4.3Å; F34-I159 HydrophobicContact CE2-CD1 4.4Å; F34-I159 HydrophobicContact CZ-CD1 4.48Å; F34-A242 HydrophobicContact CE1-CB 3.79Å; F34-A242 WeakPolarHBondContact CE1-O 3.17Å; F34-A242 HydrophobicContact CZ-CB 3.89Å; F34-L245 HydrophobicContact CD1-CB 4.3Å; F34-L246 HydrophobicContact CD1-CD2 3.69Å; F34-L246 HydrophobicContact CD1-CG 3.81Å; F34-L246 HydrophobicContact CD2-CD2 4.28Å; F34-L246 HydrophobicContact CE1-CD1 3.81Å; F34-L246 HydrophobicContact CE1-CD2 3.69Å; F34-L246 HydrophobicContact CE1-CG 3.41Å; F34-L246 VanDerWaalsContact CE1-CG 3.41Å; F34-L246 HydrophobicContact CE2-CD2 4.23Å; F34-L246 HydrophobicContact CG-CD2 4.01Å; F34-L246 HydrophobicContact CZ-CD1 3.77Å; F34-L246 HydrophobicContact CZ-CD2 3.96Å; F34-L246 HydrophobicContact CZ-CG 3.85Å
35	G	90.8	Very high	91.3	Very high	29 Å²	29	75 Å²	75	30%	0.299	38%	0.377	S	S	.	.			trans	-69.7	147.6	-177.3	0	0	0	0	0	112.5	S32 P33 R86	S32-G35 PolarHBondContact O-N 2.76Å; P33-G35 VanDerWaalsContact C-N 3.27Å; G35-R86 CarbonylContact C-O 3.52Å; G35-R86 VanDerWaalsContact CA-O 3.23Å; G35-R86 WeakPolarHBondContact CA-O 3.32Å
36	L	91.1	Very high	91.5	Very high	26 Å²	26	79.7 Å²	79.7	14%	0.136	40%	0.396	C	S	.	.			trans	-121.2	148.2	172.1	-67.1	176.7	0	0	0	109.4	R86 M87 S249	L36-R86 HydrophobicContact CB-CB 4.28Å; L36-R86 HydrophobicContact CD1-CB 4.08Å; L36-R86 HydrophobicContact CG-CB 4.08Å; L36-R86 PolarHBondContact N-O 3.43Å; L36-M87 HydrophobicContact CB-CE 4.1Å; L36-M87 HydrophobicContact CB-CG 3.92Å; L36-M87 HydrophobicContact CD1-CE 4.32Å; L36-M87 WeakPolarHBondContact O-CA 3.36Å; L36-S249 VanDerWaalsContact CD2-OG 3.24Å; L36-S249 WeakPolarHBondContact CD2-OG 3.35Å
37	E	90.5	Very high	91.7	Very high	143 Å²	143	74.1 Å²	74.1	67%	0.668	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-74.4	155.7	170.7	-70.5	-63.3	165.4	0	0	111.1	M87	E37-M87 WeakPolarHBondContact O-CE 3.49Å
38	E	92.5	Very high	92.1	Very high	44 Å²	44	78.4 Å²	78.4	21%	0.206	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-72.5	134.3	175.6	-179.4	179.8	169.3	0	0	109.9	S17 S19 R22 F89	S17-E38 VanDerWaalsContact CB-OE2 3.31Å; S17-E38 WeakPolarHBondContact CB-OE2 3.19Å; S17-E38 PolarHBondContact OG-OE2 2.87Å; S19-E38 WeakPolarHBondContact CB-OE1 3.44Å; S19-E38 PolarHBondContact OG-OE1 2.83Å; R22-E38 IonicContact CZ-OE2 3.38Å; R22-E38 IonicContact NE-OE2 3.36Å; R22-E38 VanDerWaalsContact NH1-CB 3.35Å; R22-E38 IonicContact NH1-OE2 2.78Å; R22-E38 PolarHBondContact NH1-OE2 2.79Å; E38-F89 HydrophobicContact CG-CZ 4.46Å
39	P	93.9	Very high	92.8	Very high	31 Å²	31	73.5 Å²	73.5	20%	0.201	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-69.7	147.9	179.3	32.6	-40	0	0	0	111	W41 R68	P39-W41 PolarHBondContact O-N 3.16Å; P39-R68 WeakPolarHBondContact CG-O 3.38Å
40	Q	94.6	Very high	93.4	Very high	183 Å²	183	71.1 Å²	71.1	86%	0.855	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-64.1	132.3	163.9	-71.5	-74	-23.6	0	0	109.3
41	W	96.1	Very high	94	Very high	71 Å²	71	72.3 Å²	72.3	27%	0.269	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-77.2	137	174	-75.7	16.4	0	0	0	109.9	S19 P39 P43 H65 R67 G70	S19-W41 VanDerWaalsContact OG-CZ2 3.28Å; S19-W41 WeakPolarHBondContact OG-CZ2 3.44Å; S19-W41 PolarHBondContact OG-NE1 3.38Å; S19-W41 VanDerWaalsContact OG-NE1 3.15Å; P39-W41 PolarHBondContact O-N 3.16Å; W41-P43 WeakPolarHBondContact O-CD 3.43Å; W41-H65 HydrophobicContact CD2-CB 3.5Å; W41-H65 VanDerWaalsContact CD2-CB 3.5Å; W41-H65 AromaticContact CD2-CD2 3.93Å; W41-H65 AromaticContact CD2-CG 3.59Å; W41-H65 HydrophobicContact CE3-CB 3.71Å; W41-H65 AromaticContact CE3-CD2 3.97Å; W41-H65 AromaticContact CE3-CG 3.46Å; W41-H65 VanDerWaalsContact CE3-CG 3.46Å; W41-H65 AromaticContact CE3-ND1 3.58Å; W41-H65 HydrophobicContact CG-CB 3.96Å; W41-H65 AromaticContact CG-CD2 3.81Å; W41-H65 AromaticContact CG-CG 3.95Å; W41-H65 HydrophobicContact CH2-CB 4.28Å; W41-H65 HydrophobicContact CZ2-CB 4.07Å; W41-H65 HydrophobicContact CZ3-CB 4.11Å; W41-H65 AromaticContact CZ3-ND1 3.94Å; W41-R67 HydrophobicContact CZ2-CG 4.28Å; W41-G70 WeakPolarHBondContact CA-O 3.43Å
42	V	96.4	Very high	94.4	Very high	33 Å²	33	77.9 Å²	77.9	20%	0.2	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-60.5	126.2	170.8	-178.1	0	0	0	0	108.3	D44 E46 C47 M51 H65 G70	V42-D44 PolarHBondContact O-N 3.23Å; V42-E46 HydrophobicContact CG1-CB 4Å; V42-C47 VanDerWaalsContact CG1-SG 3.59Å; V42-M51 HydrophobicContact CB-CE 4.07Å; V42-M51 HydrophobicContact CG1-CE 3.71Å; V42-M51 HydrophobicContact CG2-CE 3.91Å; V42-M51 HydrophobicContact CG2-SD 4.36Å; V42-H65 PolarHBondContact O-NE2 2.85Å; V42-G70 PolarHBondContact N-O 3.35Å
43	P	96.3	Very high	94.7	Very high	67 Å²	67	79.5 Å²	79.5	44%	0.435	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-56.1	139.9	-179.2	-27.9	36.1	0	0	0	112.4	W41 K45 E46 C47	W41-P43 WeakPolarHBondContact O-CD 3.43Å; P43-K45 PolarHBondContact O-N 3.37Å; P43-E46 PolarHBondContact O-N 3.18Å; P43-C47 PolarHBondContact O-N 3.42Å; P43-C47 PolarHBondContact O-SG 3.17Å
44	D	94.2	Very high	95	Very high	89 Å²	89	83 Å²	83	48%	0.476	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.9	-178	-86.7	-23.8	0	0	0	113.1	V42 E46 C47 K63 H65	V42-D44 PolarHBondContact O-N 3.23Å; D44-E46 VanDerWaalsContact C-N 3.26Å; D44-E46 PolarHBondContact O-N 3Å; D44-C47 PolarHBondContact O-N 3.08Å; D44-K63 HydrophobicContact CB-CD 4.36Å; D44-K63 PolarHBondContact O-NZ 3.44Å; D44-H65 IonicContact OD1-CE1 3.23Å; D44-H65 PolarHBondContact OD1-CE1 3.31Å; D44-H65 VanDerWaalsContact OD1-CE1 3.23Å; D44-H65 IonicContact OD1-NE2 3.84Å
45	K	94.6	Very high	95.4	Very high	193 Å²	193	84.7 Å²	84.7	84%	0.839	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-29.2	179.2	-65	-178.7	-179.4	178.2	0	113	P43	P43-K45 PolarHBondContact O-N 3.37Å
46	E	94.8	Very high	95.7	Very high	134 Å²	134	89.9 Å²	89.9	63%	0.626	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-23	178	-66.4	170.6	-145.4	0	0	111.5	V42 P43 D44 R48	V42-E46 HydrophobicContact CG1-CB 4Å; P43-E46 PolarHBondContact O-N 3.18Å; D44-E46 VanDerWaalsContact C-N 3.26Å; D44-E46 PolarHBondContact O-N 3Å; E46-R48 PolarHBondContact O-N 2.71Å
47	C	95	Very high	96	Very high	1 Å²	1	89.6 Å²	89.6	1%	0.007	43%	0.427	C	S	.	.			trans	-77.4	79.4	177.9	-56.6	0	0	0	0	111.4	V42 P43 D44 F57 K63 C72	V42-C47 VanDerWaalsContact CG1-SG 3.59Å; P43-C47 PolarHBondContact O-N 3.42Å; P43-C47 PolarHBondContact O-SG 3.17Å; D44-C47 PolarHBondContact O-N 3.08Å; C47-F57 HydrophobicContact CB-CE2 4.23Å; C47-F57 WeakPolarHBondContact O-CD2 3.4Å; C47-K63 HydrophobicContact CB-CD 3.98Å; C47-K63 WeakPolarHBondContact O-CE 3.35Å; C47-K63 PolarHBondContact O-NZ 3.21Å; C47-C72 HydrophobicContact CB-CB 3.77Å; C47-C72 VanDerWaalsContact CB-SG 3.59Å; C47-C72 WeakPolarHBondContact SG-CB 3.13Å
48	R	96.4	Very high	96.3	Very high	203 Å²	203	87 Å²	87	77%	0.766	42%	0.418	S	S	*	.			trans	-84	-29.3	175.9	-63.9	-175.5	-178.9	-177	1	113.4	E46 F57	E46-R48 PolarHBondContact O-N 2.71Å; R48-F57 PolarHBondContact O-N 2.93Å
49	R	98.3	Very high	96.3	Very high	117 Å²	117	94.9 Å²	94.9	44%	0.442	45%	0.452	S	S	.	.	B	Isolated β-bridge	trans	-142.1	156.1	-176.5	-63	-178	172	-98.7	5.1	110.5	M51 D54 A55 F57	R49-M51 PolarHBondContact O-N 2.98Å; R49-D54 WeakPolarHBondContact CD-O 3.25Å; R49-D54 WeakPolarHBondContact CD-OD1 3.37Å; R49-D54 IonicContact CZ-OD2 3.38Å; R49-D54 IonicContact NE-OD2 2.71Å; R49-D54 PolarHBondContact NH1-O 2.9Å; R49-D54 IonicContact NH1-OD2 3.5Å; R49-D54 PolarHBondContact NH1-OD2 3.33Å; R49-A55 CarbonylContact C-O 3.51Å; R49-A55 VanDerWaalsContact CA-O 3.29Å; R49-A55 WeakPolarHBondContact CA-O 3.05Å; R49-F57 WeakPolarHBondContact O-CE2 3.45Å
50	C	98.3	Very high	96.3	Very high	2 Å²	2	101.1 Å²	101.1	1%	0.014	48%	0.483	C	S	.	.			trans	-59.1	126.3	173.7	178.4	0	0	0	0	110.2	Q52 D54 A55 F57 C74	C50-Q52 PolarHBondContact O-N 3.05Å; C50-D54 VanDerWaalsContact O-CA 3.31Å; C50-D54 WeakPolarHBondContact O-CA 2.95Å; C50-D54 PolarHBondContact O-N 2.82Å; C50-A55 HydrophobicContact CB-CB 4.29Å; C50-A55 PolarHBondContact N-O 3.06Å; C50-F57 HydrophobicContact CB-CE1 4.39Å; C50-F57 HydrophobicContact CB-CZ 4.09Å; C50-C74 HydrophobicContact CB-CB 4.34Å; C50-C74 PolarHBondContact SG-N 3.5Å; C50-C74 VanDerWaalsContact SG-N 3.37Å
51	M	98	Very high	96.4	Very high	82 Å²	82	94.5 Å²	94.5	40%	0.404	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	7.1	-178.1	-64.6	-176.3	170.7	0	0	114.5	V42 R49 K71 C72 F73	V42-M51 HydrophobicContact CB-CE 4.07Å; V42-M51 HydrophobicContact CG1-CE 3.71Å; V42-M51 HydrophobicContact CG2-CE 3.91Å; V42-M51 HydrophobicContact CG2-SD 4.36Å; R49-M51 PolarHBondContact O-N 2.98Å; M51-K71 HydrophobicContact SD-CB 3.59Å; M51-K71 VanDerWaalsContact SD-CB 3.59Å; M51-K71 HydrophobicContact SD-CD 4.37Å; M51-K71 HydrophobicContact SD-CG 3.87Å; M51-C72 WeakPolarHBondContact CB-O 3.34Å; M51-C72 VanDerWaalsContact CG-O 3.28Å; M51-C72 WeakPolarHBondContact CG-O 3.39Å; M51-C72 PolarHBondContact N-O 2.89Å; M51-C72 PolarHBondContact SD-N 3.35Å; M51-F73 HydrophobicContact CB-CD1 4.48Å; M51-F73 HydrophobicContact CB-CE1 4.13Å
52	Q	97.6	Very high	96.4	Very high	130 Å²	130	99.9 Å²	99.9	61%	0.607	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	-51.7	174.2	-176	67.1	16.4	0	0	112.4	C50 F73 C77	C50-Q52 PolarHBondContact O-N 3.05Å; Q52-F73 HydrophobicContact CB-CD1 3.82Å; Q52-F73 HydrophobicContact CB-CE1 3.91Å; Q52-C77 HydrophobicContact CB-CB 3.99Å; Q52-C77 HydrophobicContact CG-CB 4.35Å
53	C	97.9	Very high	96.5	Very high	67 Å²	67	102 Å²	102	45%	0.453	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	4	-172.9	69.2	0	0	0	0	114.3	A55 C77	C53-A55 PolarHBondContact O-N 3.41Å; C53-A55 VanDerWaalsContact SG-CB 3.59Å; C53-C77 VanDerWaalsContact SG-SG 3.65Å
54	D	97.9	Very high	96.5	Very high	97 Å²	97	100.6 Å²	100.6	52%	0.519	47%	0.469	S	S	.	.			trans	58.9	10	-179.8	-157.3	52	0	0	0	116.1	R49 C50 K56	R49-D54 WeakPolarHBondContact CD-O 3.25Å; R49-D54 WeakPolarHBondContact CD-OD1 3.37Å; R49-D54 IonicContact CZ-OD2 3.38Å; R49-D54 IonicContact NE-OD2 2.71Å; R49-D54 PolarHBondContact NH1-O 2.9Å; R49-D54 IonicContact NH1-OD2 3.5Å; R49-D54 PolarHBondContact NH1-OD2 3.33Å; C50-D54 VanDerWaalsContact O-CA 3.31Å; C50-D54 WeakPolarHBondContact O-CA 2.95Å; C50-D54 PolarHBondContact O-N 2.82Å; D54-K56 PolarHBondContact O-N 3.26Å
55	A	97.7	Very high	96.7	Very high	36 Å²	36	97 Å²	97	30%	0.298	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-56.8	128	173.6	0	0	0	0	0	110.5	R49 C50 C53	R49-A55 CarbonylContact C-O 3.51Å; R49-A55 VanDerWaalsContact CA-O 3.29Å; R49-A55 WeakPolarHBondContact CA-O 3.05Å; C50-A55 HydrophobicContact CB-CB 4.29Å; C50-A55 PolarHBondContact N-O 3.06Å; C53-A55 PolarHBondContact O-N 3.41Å; C53-A55 VanDerWaalsContact SG-CB 3.59Å
56	K	97.9	Very high	96.8	Very high	138 Å²	138	87.8 Å²	87.8	60%	0.6	41%	0.41	S	S	*	.	B	Isolated β-bridge	trans	-65.7	134.5	176.8	-173.3	-179	176.2	-174.5	0	109.6	D54	D54-K56 PolarHBondContact O-N 3.26Å
57	F	98.1	Very high	97	Very high	20 Å²	20	83.7 Å²	83.7	9%	0.088	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-78.7	137.6	171.5	-63.7	-60.2	0	0	0	110.6	C47 R48 R49 C50 T61 K63 C72 F73 C74	C47-F57 HydrophobicContact CB-CE2 4.23Å; C47-F57 WeakPolarHBondContact O-CD2 3.4Å; R48-F57 PolarHBondContact O-N 2.93Å; R49-F57 WeakPolarHBondContact O-CE2 3.45Å; C50-F57 HydrophobicContact CB-CE1 4.39Å; C50-F57 HydrophobicContact CB-CZ 4.09Å; F57-T61 WeakPolarHBondContact CA-O 3.45Å; F57-T61 HydrophobicContact CD1-CG2 3.96Å; F57-T61 WeakPolarHBondContact CD1-O 3.3Å; F57-T61 HydrophobicContact CE1-CG2 4.4Å; F57-K63 HydrophobicContact CB-CG 4.14Å; F57-K63 HydrophobicContact CD1-CG 3.87Å; F57-K63 HydrophobicContact CD2-CD 4.28Å; F57-K63 HydrophobicContact CD2-CG 3.7Å; F57-K63 HydrophobicContact CE1-CG 4.12Å; F57-K63 HydrophobicContact CE2-CG 3.94Å; F57-K63 HydrophobicContact CG-CD 4.49Å; F57-K63 HydrophobicContact CG-CG 3.64Å; F57-K63 HydrophobicContact CZ-CG 4.16Å; F57-C72 VanDerWaalsContact CZ-SG 3.57Å; F57-F73 WeakPolarHBondContact CE1-O 3.42Å; F57-C74 HydrophobicContact CE1-CB 4.19Å
58	D	94.9	Very high	97	Very high	89 Å²	89	85.3 Å²	85.3	48%	0.476	40%	0.395	S	S	.	.			trans	-153	-163.6	179.5	61.5	23.9	0	0	0	109.8	L60 T61	D58-L60 VanDerWaalsContact C-N 3.25Å; D58-L60 PolarHBondContact O-N 3.28Å; D58-L60 WeakPolarHBondContact OD1-CA 3.2Å; D58-L60 PolarHBondContact OD1-N 3.01Å; D58-T61 PolarHBondContact N-O 3.41Å; D58-T61 CarbonylContact O-C 3.56Å; D58-T61 VanDerWaalsContact O-O 3.12Å; D58-T61 PolarHBondContact OD1-N 3.49Å
59	F	93.1	Very high	97	Very high	209 Å²	209	77.6 Å²	77.6	92%	0.917	37%	0.371	S	S	*	.	S	Bend	trans	-66	-25	-179.6	-71.1	-77.9	0	0	0	113.7
60	L	94.1	Very high	96.9	Very high	162 Å²	162	72 Å²	72	85%	0.848	35%	0.35	S	S	*	.	S	Bend	trans	-93.8	-39.2	179	-61.6	176.4	0	0	0	111.2	D58 R62	D58-L60 VanDerWaalsContact C-N 3.25Å; D58-L60 PolarHBondContact O-N 3.28Å; D58-L60 WeakPolarHBondContact OD1-CA 3.2Å; D58-L60 PolarHBondContact OD1-N 3.01Å; L60-R62 PolarHBondContact O-N 3.01Å
61	T	96.4	Very high	96.9	Very high	45 Å²	45	76.8 Å²	76.8	28%	0.276	37%	0.371	S	S	.	.	S	Bend	trans	-96.8	92.7	180	-50.7	0	0	0	0	109.8	F57 D58 C74	F57-T61 WeakPolarHBondContact CA-O 3.45Å; F57-T61 HydrophobicContact CD1-CG2 3.96Å; F57-T61 WeakPolarHBondContact CD1-O 3.3Å; F57-T61 HydrophobicContact CE1-CG2 4.4Å; D58-T61 PolarHBondContact N-O 3.41Å; D58-T61 CarbonylContact O-C 3.56Å; D58-T61 VanDerWaalsContact O-O 3.12Å; D58-T61 PolarHBondContact OD1-N 3.49Å; T61-C74 HydrophobicContact CG2-CB 3.71Å
62	R	96.8	Very high	96.9	Very high	183 Å²	183	72.9 Å²	72.9	69%	0.691	35%	0.351	S	S	*	.			trans	-77	156.1	179.3	-60.5	-173	69.4	176.8	2	112.5	L60 H64	L60-R62 PolarHBondContact O-N 3.01Å; R62-H64 PolarHBondContact O-CD2 3.49Å; R62-H64 VanDerWaalsContact O-CD2 3.3Å
63	K	97.6	Very high	97	Very high	77 Å²	77	67 Å²	67	34%	0.335	32%	0.323	S	S	.	.			trans	-82.2	138.3	176.7	-66	175.8	-168.3	179.9	0	111.1	D44 C47 F57	D44-K63 HydrophobicContact CB-CD 4.36Å; D44-K63 PolarHBondContact O-NZ 3.44Å; C47-K63 HydrophobicContact CB-CD 3.98Å; C47-K63 WeakPolarHBondContact O-CE 3.35Å; C47-K63 PolarHBondContact O-NZ 3.21Å; F57-K63 HydrophobicContact CB-CG 4.14Å; F57-K63 HydrophobicContact CD1-CG 3.87Å; F57-K63 HydrophobicContact CD2-CD 4.28Å; F57-K63 HydrophobicContact CD2-CG 3.7Å; F57-K63 HydrophobicContact CE1-CG 4.12Å; F57-K63 HydrophobicContact CE2-CG 3.94Å; F57-K63 HydrophobicContact CG-CD 4.49Å; F57-K63 HydrophobicContact CG-CG 3.64Å; F57-K63 HydrophobicContact CZ-CG 4.16Å
64	H	97.2	Very high	97	Very high	38 Å²	38	64.3 Å²	64.3	18%	0.176	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	127	176.5	-57.3	-76.1	0	0	0	111.2	R62 C72 F73 D75	R62-H64 PolarHBondContact O-CD2 3.49Å; R62-H64 VanDerWaalsContact O-CD2 3.3Å; H64-C72 CarbonylContact O-C 3.58Å; H64-C72 WeakPolarHBondContact O-CA 3.39Å; H64-F73 PolarHBondContact N-O 3.32Å; H64-F73 PolarHBondContact O-N 3.43Å; H64-D75 PolarHBondContact CD2-N 3.37Å; H64-D75 VanDerWaalsContact CD2-N 3.3Å
65	H	97.6	Very high	96.9	Very high	14 Å²	14	63.6 Å²	63.6	7%	0.065	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	136.4	175.8	-60.9	75.1	0	0	0	112.2	W41 V42 D44 R67 G70 K71	W41-H65 HydrophobicContact CD2-CB 3.5Å; W41-H65 VanDerWaalsContact CD2-CB 3.5Å; W41-H65 AromaticContact CD2-CD2 3.93Å; W41-H65 AromaticContact CD2-CG 3.59Å; W41-H65 HydrophobicContact CE3-CB 3.71Å; W41-H65 AromaticContact CE3-CD2 3.97Å; W41-H65 AromaticContact CE3-CG 3.46Å; W41-H65 VanDerWaalsContact CE3-CG 3.46Å; W41-H65 AromaticContact CE3-ND1 3.58Å; W41-H65 HydrophobicContact CG-CB 3.96Å; W41-H65 AromaticContact CG-CD2 3.81Å; W41-H65 AromaticContact CG-CG 3.95Å; W41-H65 HydrophobicContact CH2-CB 4.28Å; W41-H65 HydrophobicContact CZ2-CB 4.07Å; W41-H65 HydrophobicContact CZ3-CB 4.11Å; W41-H65 AromaticContact CZ3-ND1 3.94Å; V42-H65 PolarHBondContact O-NE2 2.85Å; D44-H65 IonicContact OD1-CE1 3.23Å; D44-H65 PolarHBondContact OD1-CE1 3.31Å; D44-H65 VanDerWaalsContact OD1-CE1 3.23Å; D44-H65 IonicContact OD1-NE2 3.84Å; H65-R67 WeakPolarHBondContact O-CD 3.48Å; H65-R67 PolarHBondContact O-NH1 2.83Å; H65-G70 PolarHBondContact CD2-O 3.16Å; H65-K71 WeakPolarHBondContact CA-O 3.44Å
66	C	97.9	Very high	96.9	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	33%	0.328	C	S	.	.			trans	-73.5	126.2	166.6	171.8	0	0	0	0	109.2	R68 C69 G70 K71 F73 C96	C66-R68 PolarHBondContact O-N 2.9Å; C66-R68 PolarHBondContact SG-N 3.21Å; C66-R68 VanDerWaalsContact SG-N 3.42Å; C66-C69 VanDerWaalsContact CB-SG 3.55Å; C66-G70 WeakPolarHBondContact O-CA 3.02Å; C66-G70 PolarHBondContact O-N 2.9Å; C66-K71 PolarHBondContact N-O 3.41Å; C66-F73 HydrophobicContact CB-CD2 4.08Å; C66-F73 HydrophobicContact CB-CE2 3.66Å; C66-C96 HydrophobicContact CB-CB 4.13Å; C66-C96 PolarHBondContact SG-N 3.13Å; C66-C96 VanDerWaalsContact SG-N 3.37Å
67	R	97.5	Very high	96.9	Very high	48 Å²	48	67 Å²	67	18%	0.181	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-11.7	-179	-80.3	72.4	171.2	156.7	2.6	114.2	W41 H65 L84 V93 R94	W41-R67 HydrophobicContact CZ2-CG 4.28Å; H65-R67 WeakPolarHBondContact O-CD 3.48Å; H65-R67 PolarHBondContact O-NH1 2.83Å; R67-L84 HydrophobicContact CB-CD2 4.37Å; R67-V93 HydrophobicContact CB-CB 3.87Å; R67-V93 HydrophobicContact CB-CG2 3.69Å; R67-V93 HydrophobicContact CG-CB 3.93Å; R67-V93 HydrophobicContact CG-CG1 4.43Å; R67-V93 HydrophobicContact CG-CG2 4.31Å; R67-R94 VanDerWaalsContact CD-O 3.23Å; R67-R94 WeakPolarHBondContact CD-O 3.36Å; R67-R94 PolarHBondContact N-O 2.88Å
68	R	95.8	Very high	96.9	Very high	35 Å²	35	66 Å²	66	13%	0.132	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-38.9	177.3	-174.3	172.5	-171.8	-87.2	-3.7	113.3	P39 C66 L84 M87 C99 S103 E106	P39-R68 WeakPolarHBondContact CG-O 3.38Å; C66-R68 PolarHBondContact O-N 2.9Å; C66-R68 PolarHBondContact SG-N 3.21Å; C66-R68 VanDerWaalsContact SG-N 3.42Å; R68-L84 HydrophobicContact CB-CD1 4.15Å; R68-L84 HydrophobicContact CB-CD2 3.91Å; R68-L84 HydrophobicContact CG-CD1 3.97Å; R68-L84 HydrophobicContact CG-CD2 4.49Å; R68-M87 HydrophobicContact CG-CE 4.2Å; R68-M87 WeakPolarHBondContact O-CE 3.37Å; R68-C99 HydrophobicContact CB-CB 3.86Å; R68-C99 HydrophobicContact CG-CB 4.16Å; R68-S103 WeakPolarHBondContact CD-OG 3.35Å; R68-E106 IonicContact NH2-OE1 3.38Å; R68-E106 PolarHBondContact NH2-OE1 3.08Å
69	C	96.5	Very high	97	Very high	40 Å²	40	64.9 Å²	64.9	27%	0.27	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-6.1	-177.6	69.5	0	0	0	0	115.3	C66 K71	C66-C69 VanDerWaalsContact CB-SG 3.55Å; C69-K71 PolarHBondContact O-N 3.43Å
70	G	96.6	Very high	97.2	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.276	C	S	.	.			trans	71.8	-6.6	178.8	0	0	0	0	0	115.6	W41 V42 H65 C66	W41-G70 WeakPolarHBondContact CA-O 3.43Å; V42-G70 PolarHBondContact N-O 3.35Å; H65-G70 PolarHBondContact CD2-O 3.16Å; C66-G70 WeakPolarHBondContact O-CA 3.02Å; C66-G70 PolarHBondContact O-N 2.9Å
71	K	97.9	Very high	97.3	Very high	103 Å²	103	58.7 Å²	58.7	45%	0.448	27%	0.268	S	S	.	.			trans	-68.3	158.2	176.2	-66.4	-179.4	-175	177.3	0	112.1	M51 H65 C66 C69 F73	M51-K71 HydrophobicContact SD-CB 3.59Å; M51-K71 VanDerWaalsContact SD-CB 3.59Å; M51-K71 HydrophobicContact SD-CD 4.37Å; M51-K71 HydrophobicContact SD-CG 3.87Å; H65-K71 WeakPolarHBondContact CA-O 3.44Å; C66-K71 PolarHBondContact N-O 3.41Å; C69-K71 PolarHBondContact O-N 3.43Å; K71-F73 VanDerWaalsContact C-CE2 3.5Å; K71-F73 HydrophobicContact CB-CD2 4.46Å; K71-F73 HydrophobicContact CB-CE2 3.46Å; K71-F73 VanDerWaalsContact CB-CE2 3.46Å; K71-F73 HydrophobicContact CB-CZ 3.55Å; K71-F73 HydrophobicContact CD-CZ 4.3Å; K71-F73 VanDerWaalsContact O-CD2 3.32Å; K71-F73 WeakPolarHBondContact O-CD2 3.47Å; K71-F73 VanDerWaalsContact O-CE2 3.26Å; K71-F73 WeakPolarHBondContact O-CE2 3.4Å
72	C	98.2	Very high	97.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.8	-176.6	-177.9	0	0	0	0	113.5	C47 M51 F57 H64	C47-C72 HydrophobicContact CB-CB 3.77Å; C47-C72 VanDerWaalsContact CB-SG 3.59Å; C47-C72 WeakPolarHBondContact SG-CB 3.13Å; M51-C72 WeakPolarHBondContact CB-O 3.34Å; M51-C72 VanDerWaalsContact CG-O 3.28Å; M51-C72 WeakPolarHBondContact CG-O 3.39Å; M51-C72 PolarHBondContact N-O 2.89Å; M51-C72 PolarHBondContact SD-N 3.35Å; F57-C72 VanDerWaalsContact CZ-SG 3.57Å; H64-C72 CarbonylContact O-C 3.58Å; H64-C72 WeakPolarHBondContact O-CA 3.39Å
73	F	98.5	Very high	97.2	Very high	5 Å²	5	50.2 Å²	50.2	2%	0.022	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	163.4	-171.3	-57.8	-83.6	0	0	0	111.5	M51 Q52 F57 H64 C66 K71 C77 C78 C96	M51-F73 HydrophobicContact CB-CD1 4.48Å; M51-F73 HydrophobicContact CB-CE1 4.13Å; Q52-F73 HydrophobicContact CB-CD1 3.82Å; Q52-F73 HydrophobicContact CB-CE1 3.91Å; F57-F73 WeakPolarHBondContact CE1-O 3.42Å; H64-F73 PolarHBondContact N-O 3.32Å; H64-F73 PolarHBondContact O-N 3.43Å; C66-F73 HydrophobicContact CB-CD2 4.08Å; C66-F73 HydrophobicContact CB-CE2 3.66Å; K71-F73 VanDerWaalsContact C-CE2 3.5Å; K71-F73 HydrophobicContact CB-CD2 4.46Å; K71-F73 HydrophobicContact CB-CE2 3.46Å; K71-F73 VanDerWaalsContact CB-CE2 3.46Å; K71-F73 HydrophobicContact CB-CZ 3.55Å; K71-F73 HydrophobicContact CD-CZ 4.3Å; K71-F73 VanDerWaalsContact O-CD2 3.32Å; K71-F73 WeakPolarHBondContact O-CD2 3.47Å; K71-F73 VanDerWaalsContact O-CE2 3.26Å; K71-F73 WeakPolarHBondContact O-CE2 3.4Å; F73-C77 HydrophobicContact CB-CB 4.12Å; F73-C77 HydrophobicContact CD1-CB 4.15Å; F73-C78 HydrophobicContact CB-CB 3.46Å; F73-C78 VanDerWaalsContact CB-CB 3.46Å; F73-C78 HydrophobicContact CD2-CB 4.09Å; F73-C78 HydrophobicContact CG-CB 3.97Å; F73-C96 HydrophobicContact CD1-CB 4.28Å; F73-C96 HydrophobicContact CD2-CB 3.92Å; F73-C96 HydrophobicContact CE1-CB 3.96Å; F73-C96 HydrophobicContact CE2-CB 3.56Å; F73-C96 HydrophobicContact CG-CB 4.27Å; F73-C96 HydrophobicContact CZ-CB 3.58Å
74	C	98.3	Very high	97.1	Very high	11 Å²	11	46.6 Å²	46.6	7%	0.074	22%	0.221	C	C	.	.			trans	-78.2	167.2	162.7	69.3	0	0	0	0	110.6	C50 F57 T61 R76 C77 C78	C50-C74 HydrophobicContact CB-CB 4.34Å; C50-C74 PolarHBondContact SG-N 3.5Å; C50-C74 VanDerWaalsContact SG-N 3.37Å; F57-C74 HydrophobicContact CE1-CB 4.19Å; T61-C74 HydrophobicContact CG2-CB 3.71Å; C74-R76 VanDerWaalsContact C-N 3.3Å; C74-R76 PolarHBondContact O-N 2.99Å; C74-C77 PolarHBondContact O-N 2.94Å; C74-C77 VanDerWaalsContact O-N 3.17Å; C74-C78 PolarHBondContact O-N 3.4Å
75	D	97.4	Very high	96.9	Very high	82 Å²	82	50.3 Å²	50.3	44%	0.439	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-43.3	-177.2	-173.8	69.9	0	0	0	111.9	H64 C77 C78 S79 R94	H64-D75 PolarHBondContact CD2-N 3.37Å; H64-D75 VanDerWaalsContact CD2-N 3.3Å; D75-C77 VanDerWaalsContact C-N 3.32Å; D75-C77 PolarHBondContact O-N 3.47Å; D75-C78 CarbonylContact O-C 3.2Å; D75-C78 PolarHBondContact O-N 3.27Å; D75-S79 WeakPolarHBondContact O-CA 3.29Å; D75-S79 VanDerWaalsContact O-CB 3.24Å; D75-S79 WeakPolarHBondContact O-CB 3.4Å; D75-S79 PolarHBondContact O-N 3.34Å; D75-R94 IonicContact OD1-CZ 2.82Å; D75-R94 IonicContact OD1-NH1 3.72Å; D75-R94 PolarHBondContact OD1-NH1 2.92Å; D75-R94 IonicContact OD1-NH2 3.27Å; D75-R94 PolarHBondContact OD1-NH2 2.96Å
76	R	97.3	Very high	96.6	Very high	225 Å²	225	49.7 Å²	49.7	85%	0.849	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-40.6	178.5	-172.6	-177	-63.5	-151.4	1	113.3	C74 C78	C74-R76 VanDerWaalsContact C-N 3.3Å; C74-R76 PolarHBondContact O-N 2.99Å; R76-C78 VanDerWaalsContact C-N 3.31Å
77	C	98.1	Very high	96.4	Very high	20 Å²	20	50.1 Å²	50.1	14%	0.135	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-9.5	-178.5	-67.6	0	0	0	0	113.2	Q52 C53 F73 C74 D75 C96 A97	Q52-C77 HydrophobicContact CB-CB 3.99Å; Q52-C77 HydrophobicContact CG-CB 4.35Å; C53-C77 VanDerWaalsContact SG-SG 3.65Å; F73-C77 HydrophobicContact CB-CB 4.12Å; F73-C77 HydrophobicContact CD1-CB 4.15Å; C74-C77 PolarHBondContact O-N 2.94Å; C74-C77 VanDerWaalsContact O-N 3.17Å; D75-C77 VanDerWaalsContact C-N 3.32Å; D75-C77 PolarHBondContact O-N 3.47Å; C77-C96 WeakPolarHBondContact O-CA 3.27Å; C77-A97 PolarHBondContact O-N 2.98Å
78	C	97.9	Very high	96.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-146.4	48.9	-173.5	-168.7	0	0	0	0	111.8	F73 C74 D75 R76 R94 Q95 C96	F73-C78 HydrophobicContact CB-CB 3.46Å; F73-C78 VanDerWaalsContact CB-CB 3.46Å; F73-C78 HydrophobicContact CD2-CB 4.09Å; F73-C78 HydrophobicContact CG-CB 3.97Å; C74-C78 PolarHBondContact O-N 3.4Å; D75-C78 CarbonylContact O-C 3.2Å; D75-C78 PolarHBondContact O-N 3.27Å; R76-C78 VanDerWaalsContact C-N 3.31Å; C78-R94 WeakPolarHBondContact O-CD 3.39Å; C78-R94 WeakPolarHBondContact O-CG 3.38Å; C78-R94 PolarHBondContact O-NH1 3.33Å; C78-Q95 CarbonylContact C-O 3.6Å; C78-Q95 WeakPolarHBondContact CA-O 3.5Å; C78-Q95 PolarHBondContact SG-O 3.25Å; C78-Q95 VanDerWaalsContact SG-O 3.37Å; C78-C96 PolarHBondContact SG-N 3.41Å
79	S	96.1	Very high	96.3	Very high	66 Å²	66	48.6 Å²	48.6	46%	0.462	23%	0.233	S	C	.	.			trans	-92.9	-20	-173.4	52.8	0	0	0	0	114.2	D75	D75-S79 WeakPolarHBondContact O-CA 3.29Å; D75-S79 VanDerWaalsContact O-CB 3.24Å; D75-S79 WeakPolarHBondContact O-CB 3.4Å; D75-S79 PolarHBondContact O-N 3.34Å
80	Q	97.3	Very high	96.2	Very high	86 Å²	86	50 Å²	50	40%	0.402	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	140.4	-170.8	-61.4	-175.6	5.5	0	0	111.6	V82 R94 Q95 A100	Q80-V82 HydrophobicContact CB-CG2 4.11Å; Q80-R94 CarbonylContact O-C 3.53Å; Q80-R94 VanDerWaalsContact O-CA 3.26Å; Q80-R94 WeakPolarHBondContact O-CA 3.48Å; Q80-Q95 PolarHBondContact O-N 2.65Å; Q80-A100 HydrophobicContact CB-CB 4.4Å
81	K	97	Very high	96.1	Very high	155 Å²	155	54.8 Å²	54.8	67%	0.674	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.3	167.4	-68.4	-173.8	-179.6	-179.1	0	109.2	P92 V93	K81-P92 HydrophobicContact CB-CB 4.05Å; K81-V93 VanDerWaalsContact CA-O 3.3Å; K81-V93 WeakPolarHBondContact CA-O 3.43Å
82	V	96.1	Very high	96	Very high	2 Å²	2	53 Å²	53	1%	0.012	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	140.7	-173.4	-174.5	0	0	0	0	109.7	Q80 L84 V93 A100	Q80-V82 HydrophobicContact CB-CG2 4.11Å; V82-L84 PolarHBondContact O-N 3.44Å; V82-V93 PolarHBondContact N-O 2.88Å; V82-V93 PolarHBondContact O-N 2.86Å; V82-A100 HydrophobicContact CG2-CB 3.84Å
83	P	95.4	Very high	95.9	Very high	47 Å²	47	53.6 Å²	53.6	31%	0.305	27%	0.268	S	S	.	.			trans	-53.9	132.5	172.2	-25.4	34.3	0	0	0	111.7	P92	P83-P92 HydrophobicContact CG-CG 4.33Å
84	L	95.1	Very high	95.9	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	28%	0.276	C	S	.	.			trans	-125	65.9	179.9	-170.9	57.2	0	0	0	110	R67 R68 V82 R86 M87 F89 V93 S103	R67-L84 HydrophobicContact CB-CD2 4.37Å; R68-L84 HydrophobicContact CB-CD1 4.15Å; R68-L84 HydrophobicContact CB-CD2 3.91Å; R68-L84 HydrophobicContact CG-CD1 3.97Å; R68-L84 HydrophobicContact CG-CD2 4.49Å; V82-L84 PolarHBondContact O-N 3.44Å; L84-R86 VanDerWaalsContact C-N 3.33Å; L84-R86 PolarHBondContact O-N 2.83Å; L84-M87 HydrophobicContact CD1-SD 4.45Å; L84-M87 HydrophobicContact CD2-CB 4.39Å; L84-M87 HydrophobicContact CD2-CG 4.39Å; L84-M87 HydrophobicContact CD2-SD 3.6Å; L84-M87 VanDerWaalsContact CD2-SD 3.6Å; L84-M87 HydrophobicContact CG-CB 4.16Å; L84-M87 HydrophobicContact CG-CG 4.25Å; L84-M87 HydrophobicContact CG-SD 4.06Å; L84-M87 PolarHBondContact O-N 3.33Å; L84-F89 HydrophobicContact CB-CD2 3.94Å; L84-F89 HydrophobicContact CD2-CD2 3.83Å; L84-F89 HydrophobicContact CD2-CE2 3.89Å; L84-F89 HydrophobicContact CG-CD2 4.02Å; L84-F89 HydrophobicContact CG-CE2 4.49Å; L84-F89 PolarHBondContact O-N 3.31Å; L84-V93 HydrophobicContact CB-CG2 3.65Å; L84-V93 HydrophobicContact CD2-CG2 3.8Å; L84-V93 HydrophobicContact CG-CG2 4.41Å; L84-S103 WeakPolarHBondContact CD1-OG 3.2Å
85	R	92.6	Very high	95.9	Very high	116 Å²	116	55.2 Å²	55.2	44%	0.438	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-64.6	-33.2	-170.1	-65.6	-178.5	-172.9	-77.1	6.8	113.3	M87 C88 Y110 D111	R85-M87 PolarHBondContact O-N 3.09Å; R85-C88 WeakPolarHBondContact O-CA 3.43Å; R85-C88 PolarHBondContact O-N 2.64Å; R85-Y110 HydrophobicContact CB-CD1 4.23Å; R85-Y110 HydrophobicContact CB-CD2 3.94Å; R85-Y110 HydrophobicContact CB-CE1 4.35Å; R85-Y110 HydrophobicContact CB-CE2 4.08Å; R85-Y110 HydrophobicContact CB-CG 4.05Å; R85-Y110 VanDerWaalsContact CD-CG 3.45Å; R85-Y110 HydrophobicContact CG-CG 4.41Å; R85-D111 IonicContact CZ-OD1 3.92Å; R85-D111 IonicContact NE-OD1 2.85Å; R85-D111 PolarHBondContact NE-OD1 3.01Å; R85-D111 IonicContact NH2-OD1 2.74Å; R85-D111 PolarHBondContact NH2-OD1 2.83Å
86	R	92.1	Very high	95.9	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.008	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-59.6	-33.2	176.8	-67.8	-173.2	77	169.6	3.8	112.8	F34 G35 L36 L84 C88 E106 Y110 L245 S249	F34-R86 PolarHBondContact O-NE 3.45Å; G35-R86 CarbonylContact C-O 3.52Å; G35-R86 VanDerWaalsContact CA-O 3.23Å; G35-R86 WeakPolarHBondContact CA-O 3.32Å; L36-R86 HydrophobicContact CB-CB 4.28Å; L36-R86 HydrophobicContact CD1-CB 4.08Å; L36-R86 HydrophobicContact CG-CB 4.08Å; L36-R86 PolarHBondContact N-O 3.43Å; L84-R86 VanDerWaalsContact C-N 3.33Å; L84-R86 PolarHBondContact O-N 2.83Å; R86-C88 VanDerWaalsContact C-N 3.31Å; R86-E106 WeakPolarHBondContact CD-OE1 3.24Å; R86-E106 WeakPolarHBondContact CD-OE2 3.48Å; R86-E106 IonicContact CZ-OE1 3.48Å; R86-E106 IonicContact NE-OE1 3.14Å; R86-E106 IonicContact NH1-OE1 2.97Å; R86-E106 PolarHBondContact NH1-OE1 2.96Å; R86-Y110 HydrophobicContact CG-CE2 3.8Å; R86-Y110 VanDerWaalsContact CG-OH 3.28Å; R86-Y110 WeakPolarHBondContact CG-OH 3.3Å; R86-L245 PolarHBondContact NH2-O 2.66Å; R86-S249 PolarHBondContact NH2-OG 3.2Å
87	M	93.6	Very high	95.8	Very high	8 Å²	8	43.5 Å²	43.5	4%	0.039	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-95.7	14	176.2	-61.2	174.8	-176.1	0	0	112.7	R22 L36 E37 R68 L84 R85 F89	R22-M87 PolarHBondContact NE-O 3.09Å; R22-M87 PolarHBondContact NH2-O 3.15Å; L36-M87 HydrophobicContact CB-CE 4.1Å; L36-M87 HydrophobicContact CB-CG 3.92Å; L36-M87 HydrophobicContact CD1-CE 4.32Å; L36-M87 WeakPolarHBondContact O-CA 3.36Å; E37-M87 WeakPolarHBondContact O-CE 3.49Å; R68-M87 HydrophobicContact CG-CE 4.2Å; R68-M87 WeakPolarHBondContact O-CE 3.37Å; L84-M87 HydrophobicContact CD1-SD 4.45Å; L84-M87 HydrophobicContact CD2-CB 4.39Å; L84-M87 HydrophobicContact CD2-CG 4.39Å; L84-M87 HydrophobicContact CD2-SD 3.6Å; L84-M87 VanDerWaalsContact CD2-SD 3.6Å; L84-M87 HydrophobicContact CG-CB 4.16Å; L84-M87 HydrophobicContact CG-CG 4.25Å; L84-M87 HydrophobicContact CG-SD 4.06Å; L84-M87 PolarHBondContact O-N 3.33Å; R85-M87 PolarHBondContact O-N 3.09Å; M87-F89 VanDerWaalsContact C-N 3.26Å; M87-F89 HydrophobicContact CB-CD2 3.75Å; M87-F89 HydrophobicContact CB-CE2 3.64Å; M87-F89 PolarHBondContact O-N 2.86Å; M87-F89 HydrophobicContact SD-CE2 4.34Å
88	C	94	Very high	95.7	Very high	38 Å²	38	48.7 Å²	48.7	26%	0.257	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	22.6	175.7	-52.3	0	0	0	0	115.4	R22 M23 V24 R85 R86	R22-C88 CarbonylContact C-O 3.58Å; R22-C88 WeakPolarHBondContact CA-O 3.47Å; M23-C88 PolarHBondContact N-O 3.2Å; M23-C88 VanDerWaalsContact O-CB 3.31Å; M23-C88 WeakPolarHBondContact O-CB 3.37Å; V24-C88 HydrophobicContact CG1-CB 4.16Å; R85-C88 WeakPolarHBondContact O-CA 3.43Å; R85-C88 PolarHBondContact O-N 2.64Å; R86-C88 VanDerWaalsContact C-N 3.31Å
89	F	95.9	Very high	95.7	Very high	14 Å²	14	49 Å²	49	6%	0.061	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-67	134.6	174	-73.2	-76.8	0	0	0	111.1	S19 R22 E38 L84 M87 V93	S19-F89 VanDerWaalsContact CB-CE1 3.5Å; R22-F89 HydrophobicContact CG-CD1 3.51Å; R22-F89 HydrophobicContact CG-CE1 3.49Å; R22-F89 VanDerWaalsContact CG-CE1 3.49Å; R22-F89 HydrophobicContact CG-CG 4.06Å; R22-F89 HydrophobicContact CG-CZ 4.03Å; E38-F89 HydrophobicContact CG-CZ 4.46Å; L84-F89 HydrophobicContact CB-CD2 3.94Å; L84-F89 HydrophobicContact CD2-CD2 3.83Å; L84-F89 HydrophobicContact CD2-CE2 3.89Å; L84-F89 HydrophobicContact CG-CD2 4.02Å; L84-F89 HydrophobicContact CG-CE2 4.49Å; L84-F89 PolarHBondContact O-N 3.31Å; M87-F89 VanDerWaalsContact C-N 3.26Å; M87-F89 HydrophobicContact CB-CD2 3.75Å; M87-F89 HydrophobicContact CB-CE2 3.64Å; M87-F89 PolarHBondContact O-N 2.86Å; M87-F89 HydrophobicContact SD-CE2 4.34Å; F89-V93 HydrophobicContact CB-CG1 4.05Å; F89-V93 HydrophobicContact CD1-CG1 3.61Å; F89-V93 HydrophobicContact CD2-CG1 4.39Å; F89-V93 HydrophobicContact CD2-CG2 4.22Å; F89-V93 HydrophobicContact CE1-CG1 4.18Å; F89-V93 HydrophobicContact CG-CG1 3.75Å; F89-V93 HydrophobicContact CG-CG2 4.31Å
90	V	94.2	Very high	95.7	Very high	69 Å²	69	45.8 Å²	45.8	42%	0.418	24%	0.237	S	C	.	.	S	Bend	trans	-74.1	-48.8	179.3	179.2	0	0	0	0	110.3	L14 L21 M23	L14-V90 HydrophobicContact CD2-CG2 3.97Å; L21-V90 HydrophobicContact CD2-CG2 4.31Å; L21-V90 HydrophobicContact CG-CG2 4.17Å; L21-V90 PolarHBondContact O-N 2.88Å; M23-V90 HydrophobicContact CB-CG2 4.03Å
91	D	94.6	Very high	95.5	Very high	100 Å²	100	47.3 Å²	47.3	54%	0.535	25%	0.247	S	C	.	.	S	Bend	trans	-102.1	156.8	-178	-61	-49.8	0	0	0	111.8	V93	D91-V93 PolarHBondContact O-N 2.8Å
92	P	96.3	Very high	95.3	Very high	66 Å²	66	42.2 Å²	42.2	43%	0.429	23%	0.229	S	C	.	.			trans	-55.8	128.9	169.1	-25.1	35	0	0	0	112.1	K81 P83	K81-P92 HydrophobicContact CB-CB 4.05Å; P83-P92 HydrophobicContact CG-CG 4.33Å
93	V	96.9	Very high	95.3	Very high	12 Å²	12	42.2 Å²	42.2	7%	0.073	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	155.5	-175.7	-69.4	0	0	0	0	111.9	R67 K81 V82 L84 F89 D91 Q95	R67-V93 HydrophobicContact CB-CB 3.87Å; R67-V93 HydrophobicContact CB-CG2 3.69Å; R67-V93 HydrophobicContact CG-CB 3.93Å; R67-V93 HydrophobicContact CG-CG1 4.43Å; R67-V93 HydrophobicContact CG-CG2 4.31Å; K81-V93 VanDerWaalsContact CA-O 3.3Å; K81-V93 WeakPolarHBondContact CA-O 3.43Å; V82-V93 PolarHBondContact N-O 2.88Å; V82-V93 PolarHBondContact O-N 2.86Å; L84-V93 HydrophobicContact CB-CG2 3.65Å; L84-V93 HydrophobicContact CD2-CG2 3.8Å; L84-V93 HydrophobicContact CG-CG2 4.41Å; F89-V93 HydrophobicContact CB-CG1 4.05Å; F89-V93 HydrophobicContact CD1-CG1 3.61Å; F89-V93 HydrophobicContact CD2-CG1 4.39Å; F89-V93 HydrophobicContact CD2-CG2 4.22Å; F89-V93 HydrophobicContact CE1-CG1 4.18Å; F89-V93 HydrophobicContact CG-CG1 3.75Å; F89-V93 HydrophobicContact CG-CG2 4.31Å; D91-V93 PolarHBondContact O-N 2.8Å; V93-Q95 PolarHBondContact O-N 3.31Å
94	R	97.7	Very high	95.1	Very high	50 Å²	50	44.7 Å²	44.7	19%	0.189	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	128.8	-179	-177.3	-176.3	-74.8	-101.6	4.3	111.6	R67 D75 C78 Q80	R67-R94 VanDerWaalsContact CD-O 3.23Å; R67-R94 WeakPolarHBondContact CD-O 3.36Å; R67-R94 PolarHBondContact N-O 2.88Å; D75-R94 IonicContact OD1-CZ 2.82Å; D75-R94 IonicContact OD1-NH1 3.72Å; D75-R94 PolarHBondContact OD1-NH1 2.92Å; D75-R94 IonicContact OD1-NH2 3.27Å; D75-R94 PolarHBondContact OD1-NH2 2.96Å; C78-R94 WeakPolarHBondContact O-CD 3.39Å; C78-R94 WeakPolarHBondContact O-CG 3.38Å; C78-R94 PolarHBondContact O-NH1 3.33Å; Q80-R94 CarbonylContact O-C 3.53Å; Q80-R94 VanDerWaalsContact O-CA 3.26Å; Q80-R94 WeakPolarHBondContact O-CA 3.48Å
95	Q	98.1	Very high	94.9	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	153	178.1	-58	-164.1	33.8	0	0	112.8	C78 Q80 V93 C99 A100 S103	C78-Q95 CarbonylContact C-O 3.6Å; C78-Q95 WeakPolarHBondContact CA-O 3.5Å; C78-Q95 PolarHBondContact SG-O 3.25Å; C78-Q95 VanDerWaalsContact SG-O 3.37Å; Q80-Q95 PolarHBondContact O-N 2.65Å; V93-Q95 PolarHBondContact O-N 3.31Å; Q95-C99 HydrophobicContact CB-CB 4.24Å; Q95-C99 PolarHBondContact OE1-O 3.16Å; Q95-A100 HydrophobicContact CB-CB 4.28Å; Q95-S103 PolarHBondContact NE2-OG 3.01Å; Q95-S103 PolarHBondContact OE1-OG 3.34Å; Q95-S103 VanDerWaalsContact OE1-OG 3.14Å
96	C	98.3	Very high	94.8	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.034	25%	0.252	C	S	.	.			trans	-70	161.5	166.7	69.5	0	0	0	0	110.1	C66 F73 C77 C78 E98 C99 A100	C66-C96 HydrophobicContact CB-CB 4.13Å; C66-C96 PolarHBondContact SG-N 3.13Å; C66-C96 VanDerWaalsContact SG-N 3.37Å; F73-C96 HydrophobicContact CD1-CB 4.28Å; F73-C96 HydrophobicContact CD2-CB 3.92Å; F73-C96 HydrophobicContact CE1-CB 3.96Å; F73-C96 HydrophobicContact CE2-CB 3.56Å; F73-C96 HydrophobicContact CG-CB 4.27Å; F73-C96 HydrophobicContact CZ-CB 3.58Å; C77-C96 WeakPolarHBondContact O-CA 3.27Å; C78-C96 PolarHBondContact SG-N 3.41Å; C96-E98 VanDerWaalsContact C-N 3.29Å; C96-E98 PolarHBondContact O-N 3.22Å; C96-C99 PolarHBondContact O-N 3.32Å; C96-C99 VanDerWaalsContact SG-SG 3.62Å; C96-A100 WeakPolarHBondContact O-CB 3.44Å; C96-A100 PolarHBondContact O-N 2.81Å
97	A	95.2	Very high	94.7	Very high	56 Å²	56	48 Å²	48	46%	0.463	26%	0.257	S	S	.	.	H	α-helix	trans	-55	-43.1	-177.1	0	0	0	0	0	113	C77 A100 L101	C77-A97 PolarHBondContact O-N 2.98Å; A97-A100 PolarHBondContact O-N 2.97Å; A97-L101 WeakPolarHBondContact O-CG 3.21Å; A97-L101 PolarHBondContact O-N 3.21Å
98	E	95.9	Very high	94.3	Very high	129 Å²	129	52.1 Å²	52.1	60%	0.603	28%	0.276	S	S	*	.	H	α-helix	trans	-63.6	-48.3	179.4	-174.2	-178.5	-172	0	0	112.1	C96 A100 L101 V102	C96-E98 VanDerWaalsContact C-N 3.29Å; C96-E98 PolarHBondContact O-N 3.22Å; E98-A100 VanDerWaalsContact C-N 3.34Å; E98-A100 PolarHBondContact O-N 3.22Å; E98-L101 PolarHBondContact O-N 3.37Å; E98-V102 PolarHBondContact O-N 3.04Å
99	C	96.8	Very high	94.2	Very high	6 Å²	6	50.8 Å²	50.8	4%	0.041	27%	0.265	C	S	.	.	H	α-helix	trans	-65.8	-37.6	179.2	-78.3	0	0	0	0	112.5	R68 Q95 C96 L101 V102 S103	R68-C99 HydrophobicContact CB-CB 3.86Å; R68-C99 HydrophobicContact CG-CB 4.16Å; Q95-C99 HydrophobicContact CB-CB 4.24Å; Q95-C99 PolarHBondContact OE1-O 3.16Å; C96-C99 PolarHBondContact O-N 3.32Å; C96-C99 VanDerWaalsContact SG-SG 3.62Å; C99-L101 VanDerWaalsContact C-N 3.32Å; C99-L101 PolarHBondContact O-N 2.87Å; C99-V102 PolarHBondContact O-N 2.96Å; C99-V102 VanDerWaalsContact O-N 3.16Å; C99-S103 PolarHBondContact O-N 3.02Å
100	A	96.3	Very high	94	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.6	-42	177.3	0	0	0	0	0	112.1	Q80 V82 Q95 C96 A97 E98 V102 S103 H104	Q80-A100 HydrophobicContact CB-CB 4.4Å; V82-A100 HydrophobicContact CG2-CB 3.84Å; Q95-A100 HydrophobicContact CB-CB 4.28Å; C96-A100 WeakPolarHBondContact O-CB 3.44Å; C96-A100 PolarHBondContact O-N 2.81Å; A97-A100 PolarHBondContact O-N 2.97Å; E98-A100 VanDerWaalsContact C-N 3.34Å; E98-A100 PolarHBondContact O-N 3.22Å; A100-V102 VanDerWaalsContact C-N 3.29Å; A100-V102 PolarHBondContact O-N 2.87Å; A100-S103 PolarHBondContact O-N 3.5Å; A100-H104 PolarHBondContact O-CD2 3.14Å; A100-H104 PolarHBondContact O-N 3.23Å
101	L	94.1	Very high	93.8	Very high	117 Å²	117	51.3 Å²	51.3	61%	0.613	27%	0.265	S	S	*	.	H	α-helix	trans	-58.8	-41.5	175.8	-68.7	172.7	0	0	0	111.9	A97 E98 C99 K105	A97-L101 WeakPolarHBondContact O-CG 3.21Å; A97-L101 PolarHBondContact O-N 3.21Å; E98-L101 PolarHBondContact O-N 3.37Å; C99-L101 VanDerWaalsContact C-N 3.32Å; C99-L101 PolarHBondContact O-N 2.87Å; L101-K105 WeakPolarHBondContact O-CG 3.4Å; L101-K105 PolarHBondContact O-N 3.36Å
102	V	93.2	Very high	93.5	Very high	49 Å²	49	52 Å²	52	30%	0.297	26%	0.263	S	S	.	.	H	α-helix	trans	-68.6	-47.5	177.6	-172.8	0	0	0	0	110.8	E98 C99 A100 H104 K105 E106	E98-V102 PolarHBondContact O-N 3.04Å; C99-V102 PolarHBondContact O-N 2.96Å; C99-V102 VanDerWaalsContact O-N 3.16Å; A100-V102 VanDerWaalsContact C-N 3.29Å; A100-V102 PolarHBondContact O-N 2.87Å; V102-H104 VanDerWaalsContact C-N 3.27Å; V102-H104 PolarHBondContact O-N 3.24Å; V102-K105 WeakPolarHBondContact O-CB 3.48Å; V102-K105 PolarHBondContact O-N 3.27Å; V102-K105 VanDerWaalsContact O-N 3.11Å; V102-E106 HydrophobicContact CG1-CG 4.38Å; V102-E106 WeakPolarHBondContact O-CG 3.44Å; V102-E106 PolarHBondContact O-N 3.32Å
103	S	94.4	Very high	93.4	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.007	25%	0.249	C	C	.	.	H	α-helix	trans	-61.7	-32.1	178	-73.3	0	0	0	0	113.5	R68 L84 Q95 C99 A100 E106 A107	R68-S103 WeakPolarHBondContact CD-OG 3.35Å; L84-S103 WeakPolarHBondContact CD1-OG 3.2Å; Q95-S103 PolarHBondContact NE2-OG 3.01Å; Q95-S103 PolarHBondContact OE1-OG 3.34Å; Q95-S103 VanDerWaalsContact OE1-OG 3.14Å; C99-S103 PolarHBondContact O-N 3.02Å; A100-S103 PolarHBondContact O-N 3.5Å; S103-E106 PolarHBondContact O-N 3.25Å; S103-A107 VanDerWaalsContact O-CB 3.32Å; S103-A107 WeakPolarHBondContact O-CB 3.43Å; S103-A107 PolarHBondContact O-N 3.38Å
104	H	92.9	Very high	93.3	Very high	99 Å²	99	50.7 Å²	50.7	46%	0.458	25%	0.251	S	S	.	.	H	α-helix	trans	-66.2	-41.7	173.2	-78.9	-57.7	0	0	0	112.6	A100 V102 A107 E108	A100-H104 PolarHBondContact O-CD2 3.14Å; A100-H104 PolarHBondContact O-N 3.23Å; V102-H104 VanDerWaalsContact C-N 3.27Å; V102-H104 PolarHBondContact O-N 3.24Å; H104-A107 PolarHBondContact O-N 3.01Å; H104-E108 PolarHBondContact O-N 2.92Å
105	K	89.1	Confident	93.1	Very high	167 Å²	167	55 Å²	55	73%	0.726	27%	0.271	S	S	*	.	H	α-helix	trans	-63.5	-43.5	174	-68.3	176.7	-179.2	-179	0	111.2	L101 V102 A107 E108	L101-K105 WeakPolarHBondContact O-CG 3.4Å; L101-K105 PolarHBondContact O-N 3.36Å; V102-K105 WeakPolarHBondContact O-CB 3.48Å; V102-K105 PolarHBondContact O-N 3.27Å; V102-K105 VanDerWaalsContact O-N 3.11Å; K105-A107 VanDerWaalsContact C-N 3.35Å; K105-A107 PolarHBondContact O-N 3.41Å; K105-E108 PolarHBondContact O-N 2.98Å
106	E	91.5	Very high	93	Very high	11 Å²	11	56.9 Å²	56.9	5%	0.051	28%	0.283	C	S	.	.	H	α-helix	trans	-64.1	-38.1	176.1	-68.6	175.6	160.1	0	0	111.8	R68 R86 V102 S103 E108 F109 Y110 L245	R68-E106 IonicContact NH2-OE1 3.38Å; R68-E106 PolarHBondContact NH2-OE1 3.08Å; R86-E106 WeakPolarHBondContact CD-OE1 3.24Å; R86-E106 WeakPolarHBondContact CD-OE2 3.48Å; R86-E106 IonicContact CZ-OE1 3.48Å; R86-E106 IonicContact NE-OE1 3.14Å; R86-E106 IonicContact NH1-OE1 2.97Å; R86-E106 PolarHBondContact NH1-OE1 2.96Å; V102-E106 HydrophobicContact CG1-CG 4.38Å; V102-E106 WeakPolarHBondContact O-CG 3.44Å; V102-E106 PolarHBondContact O-N 3.32Å; S103-E106 PolarHBondContact O-N 3.25Å; E106-E108 VanDerWaalsContact C-N 3.27Å; E106-E108 PolarHBondContact O-N 3.23Å; E106-F109 WeakPolarHBondContact O-CB 3.46Å; E106-F109 PolarHBondContact O-N 2.65Å; E106-Y110 VanDerWaalsContact O-CD2 3.28Å; E106-Y110 WeakPolarHBondContact O-CD2 3.44Å; E106-Y110 PolarHBondContact O-N 3.13Å; E106-L245 HydrophobicContact CG-CD2 4.14Å
107	A	89.3	Confident	93	Very high	12 Å²	12	56.7 Å²	56.7	10%	0.099	28%	0.281	C	S	.	.	H	α-helix	trans	-59	-38.7	179.8	0	0	0	0	0	112.2	S103 H104 K105 F109 Y110 D111	S103-A107 VanDerWaalsContact O-CB 3.32Å; S103-A107 WeakPolarHBondContact O-CB 3.43Å; S103-A107 PolarHBondContact O-N 3.38Å; H104-A107 PolarHBondContact O-N 3.01Å; K105-A107 VanDerWaalsContact C-N 3.35Å; K105-A107 PolarHBondContact O-N 3.41Å; A107-F109 VanDerWaalsContact C-N 3.27Å; A107-F109 PolarHBondContact O-N 3.06Å; A107-Y110 PolarHBondContact O-N 3.28Å; A107-D111 WeakPolarHBondContact O-CB 3.31Å; A107-D111 PolarHBondContact O-N 2.9Å
108	E	86.8	Confident	93	Very high	93 Å²	93	56.5 Å²	56.5	44%	0.435	27%	0.272	S	S	.	.	H	α-helix	trans	-59.2	-38.8	175.9	-176.1	173.3	-155.5	0	0	112.3	H104 K105 E106 K112	H104-E108 PolarHBondContact O-N 2.92Å; K105-E108 PolarHBondContact O-N 2.98Å; E106-E108 VanDerWaalsContact C-N 3.27Å; E106-E108 PolarHBondContact O-N 3.23Å; E108-K112 HydrophobicContact CG-CD 3.96Å; E108-K112 WeakPolarHBondContact O-CB 3.49Å; E108-K112 PolarHBondContact O-N 3.13Å; E108-K112 VanDerWaalsContact O-N 3.12Å; E108-K112 IonicContact OE1-NZ 3.79Å; E108-K112 PolarHBondContact OE1-NZ 2.79Å
109	F	91	Very high	93	Very high	10 Å²	10	54.1 Å²	54.1	4%	0.044	27%	0.27	C	S	.	.	I	π-helix	trans	-61.1	-50.7	174.9	171.6	-96.1	0	0	0	111.3	F34 E106 A107 D111 Q113 L114 L117 K241 A242 L245	F34-F109 HydrophobicContact CD1-CE1 4.38Å; F34-F109 HydrophobicContact CE1-CE1 4.43Å; F34-F109 HydrophobicContact CE1-CZ 4.12Å; E106-F109 WeakPolarHBondContact O-CB 3.46Å; E106-F109 PolarHBondContact O-N 2.65Å; A107-F109 VanDerWaalsContact C-N 3.27Å; A107-F109 PolarHBondContact O-N 3.06Å; F109-D111 PolarHBondContact O-N 3.17Å; F109-Q113 HydrophobicContact CD2-CB 3.58Å; F109-Q113 HydrophobicContact CD2-CG 3.99Å; F109-Q113 HydrophobicContact CE2-CB 3.91Å; F109-Q113 HydrophobicContact CG-CB 4.28Å; F109-Q113 WeakPolarHBondContact O-CA 3.42Å; F109-Q113 VanDerWaalsContact O-CB 3.3Å; F109-Q113 WeakPolarHBondContact O-CB 3.44Å; F109-Q113 PolarHBondContact O-N 3Å; F109-L114 PolarHBondContact O-N 2.66Å; F109-L117 HydrophobicContact CE2-CD1 4.18Å; F109-L117 HydrophobicContact CZ-CD1 4.13Å; F109-K241 HydrophobicContact CD2-CB 4.32Å; F109-A242 HydrophobicContact CE2-CB 3.65Å; F109-A242 HydrophobicContact CZ-CB 3.67Å; F109-L245 HydrophobicContact CB-CD1 3.7Å; F109-L245 HydrophobicContact CD1-CD1 3.31Å; F109-L245 HydrophobicContact CD2-CD1 3.58Å; F109-L245 HydrophobicContact CE1-CD1 3.76Å; F109-L245 HydrophobicContact CE2-CD1 4.01Å; F109-L245 HydrophobicContact CG-CD1 3.22Å; F109-L245 HydrophobicContact CZ-CD1 4.08Å
110	Y	91.1	Very high	92.9	Very high	28 Å²	28	54 Å²	54	11%	0.11	27%	0.269	C	S	.	.	I	π-helix	trans	-67.1	-35.5	-178.4	-76.2	-79.5	0	0	0	113.5	F34 R85 R86 E106 A107 L114	F34-Y110 WeakPolarHBondContact CB-OH 3.05Å; R85-Y110 HydrophobicContact CB-CD1 4.23Å; R85-Y110 HydrophobicContact CB-CD2 3.94Å; R85-Y110 HydrophobicContact CB-CE1 4.35Å; R85-Y110 HydrophobicContact CB-CE2 4.08Å; R85-Y110 HydrophobicContact CB-CG 4.05Å; R85-Y110 VanDerWaalsContact CD-CG 3.45Å; R85-Y110 HydrophobicContact CG-CG 4.41Å; R86-Y110 HydrophobicContact CG-CE2 3.8Å; R86-Y110 VanDerWaalsContact CG-OH 3.28Å; R86-Y110 WeakPolarHBondContact CG-OH 3.3Å; E106-Y110 VanDerWaalsContact O-CD2 3.28Å; E106-Y110 WeakPolarHBondContact O-CD2 3.44Å; E106-Y110 PolarHBondContact O-N 3.13Å; A107-Y110 PolarHBondContact O-N 3.28Å; Y110-L114 HydrophobicContact CD1-CD2 3.71Å; Y110-L114 HydrophobicContact CE1-CD2 4.25Å
111	D	89.4	Confident	92.9	Very high	67 Å²	67	54.2 Å²	54.2	36%	0.358	27%	0.271	S	S	.	.	I	π-helix	trans	-79.6	-32.5	-174.1	-68.2	-17	0	0	0	112.6	R85 A107 F109 K115	R85-D111 IonicContact CZ-OD1 3.92Å; R85-D111 IonicContact NE-OD1 2.85Å; R85-D111 PolarHBondContact NE-OD1 3.01Å; R85-D111 IonicContact NH2-OD1 2.74Å; R85-D111 PolarHBondContact NH2-OD1 2.83Å; A107-D111 WeakPolarHBondContact O-CB 3.31Å; A107-D111 PolarHBondContact O-N 2.9Å; F109-D111 PolarHBondContact O-N 3.17Å; D111-K115 WeakPolarHBondContact O-CD 3.14Å; D111-K115 WeakPolarHBondContact O-CE 3.24Å; D111-K115 PolarHBondContact O-NZ 3.45Å
112	K	89.8	Confident	93	Very high	115 Å²	115	51.8 Å²	51.8	50%	0.5	26%	0.261	S	S	.	.	I	π-helix	trans	-111.2	-59.7	-176.8	-57.8	-179.4	-171.4	169	0	112.6	E108	E108-K112 HydrophobicContact CG-CD 3.96Å; E108-K112 WeakPolarHBondContact O-CB 3.49Å; E108-K112 PolarHBondContact O-N 3.13Å; E108-K112 VanDerWaalsContact O-N 3.12Å; E108-K112 IonicContact OE1-NZ 3.79Å; E108-K112 PolarHBondContact OE1-NZ 2.79Å
113	Q	93.8	Very high	93.1	Very high	28 Å²	28	49.5 Å²	49.5	13%	0.131	25%	0.247	C	C	.	.	I	π-helix	trans	-72.1	-41.2	-167.2	-51.6	-58.2	-52.8	0	0	112.1	F109 K115 V116 L117 A238 K241	F109-Q113 HydrophobicContact CD2-CB 3.58Å; F109-Q113 HydrophobicContact CD2-CG 3.99Å; F109-Q113 HydrophobicContact CE2-CB 3.91Å; F109-Q113 HydrophobicContact CG-CB 4.28Å; F109-Q113 WeakPolarHBondContact O-CA 3.42Å; F109-Q113 VanDerWaalsContact O-CB 3.3Å; F109-Q113 WeakPolarHBondContact O-CB 3.44Å; F109-Q113 PolarHBondContact O-N 3Å; Q113-K115 VanDerWaalsContact C-N 3.3Å; Q113-K115 PolarHBondContact O-N 3.5Å; Q113-V116 WeakPolarHBondContact O-CB 3.41Å; Q113-V116 PolarHBondContact O-N 3.22Å; Q113-V116 VanDerWaalsContact O-N 3.16Å; Q113-L117 WeakPolarHBondContact O-CG 3.13Å; Q113-L117 PolarHBondContact O-N 3.35Å; Q113-A238 HydrophobicContact CB-CB 3.94Å; Q113-K241 HydrophobicContact CG-CD 4.13Å
114	L	94.6	Very high	93.1	Very high	21 Å²	21	52 Å²	52	11%	0.11	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-39.1	-180	178.8	59.4	0	0	0	112.2	F109 Y110 V116 L117 L118 Q144	F109-L114 PolarHBondContact O-N 2.66Å; Y110-L114 HydrophobicContact CD1-CD2 3.71Å; Y110-L114 HydrophobicContact CE1-CD2 4.25Å; L114-V116 VanDerWaalsContact C-N 3.33Å; L114-V116 PolarHBondContact O-N 3.38Å; L114-L117 PolarHBondContact O-N 2.97Å; L114-L118 HydrophobicContact CD1-CD1 4.12Å; L114-L118 HydrophobicContact CD1-CD2 4.44Å; L114-L118 HydrophobicContact CD1-CG 4.01Å; L114-L118 HydrophobicContact CG-CD1 3.97Å; L114-L118 HydrophobicContact CG-CG 4.31Å; L114-L118 VanDerWaalsContact O-CG 3.28Å; L114-L118 WeakPolarHBondContact O-CG 3.13Å; L114-L118 PolarHBondContact O-N 3.45Å; L114-Q144 HydrophobicContact CD1-CG 3.55Å
115	K	94.6	Very high	93.2	Very high	141 Å²	141	47.3 Å²	47.3	61%	0.613	24%	0.238	S	C	*	.	H	α-helix	trans	-62.8	-40.6	177.1	-65.5	179.7	-175.2	162.6	0	111.9	D111 Q113 L117 L118 S119	D111-K115 WeakPolarHBondContact O-CD 3.14Å; D111-K115 WeakPolarHBondContact O-CE 3.24Å; D111-K115 PolarHBondContact O-NZ 3.45Å; Q113-K115 VanDerWaalsContact C-N 3.3Å; Q113-K115 PolarHBondContact O-N 3.5Å; K115-L117 VanDerWaalsContact C-N 3.34Å; K115-L118 PolarHBondContact O-N 3.11Å; K115-S119 WeakPolarHBondContact O-CB 3.39Å; K115-S119 PolarHBondContact O-N 3.47Å
116	V	95.6	Very high	93.5	Very high	40 Å²	40	40.7 Å²	40.7	24%	0.242	21%	0.212	C	C	.	.	H	α-helix	trans	-61.6	-45.7	175.1	177.6	0	0	0	0	110.2	Q113 L114 L118 S119 G120 A234 W235 A238	Q113-V116 WeakPolarHBondContact O-CB 3.41Å; Q113-V116 PolarHBondContact O-N 3.22Å; Q113-V116 VanDerWaalsContact O-N 3.16Å; L114-V116 VanDerWaalsContact C-N 3.33Å; L114-V116 PolarHBondContact O-N 3.38Å; V116-L118 PolarHBondContact O-N 3.3Å; V116-S119 PolarHBondContact O-N 3.23Å; V116-G120 PolarHBondContact O-N 3.29Å; V116-A234 HydrophobicContact CG1-CB 4.13Å; V116-W235 HydrophobicContact CG1-CB 4.04Å; V116-A238 HydrophobicContact CB-CB 4.48Å; V116-A238 HydrophobicContact CG1-CB 4.44Å
117	L	97.3	Very high	93.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.4	-41.8	-179.8	-72.3	170.6	0	0	0	113.5	F109 Q113 L114 K115 G120 R139 L140 W235 A238 M239 A242	F109-L117 HydrophobicContact CE2-CD1 4.18Å; F109-L117 HydrophobicContact CZ-CD1 4.13Å; Q113-L117 WeakPolarHBondContact O-CG 3.13Å; Q113-L117 PolarHBondContact O-N 3.35Å; L114-L117 PolarHBondContact O-N 2.97Å; K115-L117 VanDerWaalsContact C-N 3.34Å; L117-G120 PolarHBondContact O-N 3.46Å; L117-R139 WeakPolarHBondContact O-CA 3.1Å; L117-L140 HydrophobicContact CB-CB 4.41Å; L117-L140 HydrophobicContact CB-CD1 3.84Å; L117-L140 HydrophobicContact CB-CG 3.93Å; L117-L140 HydrophobicContact CD1-CD1 3.86Å; L117-L140 HydrophobicContact CD2-CD1 4.44Å; L117-L140 HydrophobicContact CD2-CG 4.48Å; L117-L140 HydrophobicContact CG-CD1 4.26Å; L117-L140 PolarHBondContact O-N 3.12Å; L117-W235 HydrophobicContact CD2-CD2 4.1Å; L117-W235 HydrophobicContact CD2-CG 4.38Å; L117-W235 HydrophobicContact CD2-CZ2 4.09Å; L117-W235 PolarHBondContact O-NE1 3.23Å; L117-A238 HydrophobicContact CD1-CB 4.21Å; L117-A238 HydrophobicContact CD2-CB 3.95Å; L117-A238 HydrophobicContact CG-CB 3.79Å; L117-M239 HydrophobicContact CD2-CB 3.78Å; L117-M239 HydrophobicContact CD2-CG 4.49Å; L117-M239 HydrophobicContact CD2-SD 4.03Å; L117-A242 HydrophobicContact CD1-CB 3.91Å
118	L	96.3	Very high	93.3	Very high	53 Å²	53	43.7 Å²	43.7	28%	0.277	23%	0.234	S	C	.	.	H	α-helix	trans	-71.7	-36.8	178	-66.7	173.5	0	0	0	112.5	L114 K115 V116 G120 L140 S141	L114-L118 HydrophobicContact CD1-CD1 4.12Å; L114-L118 HydrophobicContact CD1-CD2 4.44Å; L114-L118 HydrophobicContact CD1-CG 4.01Å; L114-L118 HydrophobicContact CG-CD1 3.97Å; L114-L118 HydrophobicContact CG-CG 4.31Å; L114-L118 VanDerWaalsContact O-CG 3.28Å; L114-L118 WeakPolarHBondContact O-CG 3.13Å; L114-L118 PolarHBondContact O-N 3.45Å; K115-L118 PolarHBondContact O-N 3.11Å; V116-L118 PolarHBondContact O-N 3.3Å; L118-G120 PolarHBondContact O-N 2.95Å; L118-L140 HydrophobicContact CD2-CB 4.2Å; L118-L140 WeakPolarHBondContact CD2-O 3.45Å; L118-S141 WeakPolarHBondContact CD2-O 3.28Å
119	S	95.3	Very high	92.7	Very high	79 Å²	79	46.8 Å²	46.8	55%	0.552	25%	0.253	S	S	*	.	H	α-helix	trans	-64	-28.7	176.6	-176.6	0	0	0	0	112.5	K115 V116 Q231	K115-S119 WeakPolarHBondContact O-CB 3.39Å; K115-S119 PolarHBondContact O-N 3.47Å; V116-S119 PolarHBondContact O-N 3.23Å; S119-Q231 PolarHBondContact OG-NE2 3.37Å
120	G	95.4	Very high	92.3	Very high	2 Å²	2	49.1 Å²	49.1	2%	0.021	27%	0.271	C	S	.	.			trans	76.8	170	-176.6	0	0	0	0	0	114.5	V116 L117 L118 C138 Q231	V116-G120 PolarHBondContact O-N 3.29Å; L117-G120 PolarHBondContact O-N 3.46Å; L118-G120 PolarHBondContact O-N 2.95Å; G120-C138 CarbonylContact C-O 3.58Å; G120-C138 WeakPolarHBondContact CA-O 3.47Å; G120-Q231 PolarHBondContact O-NE2 3.46Å
121	A	96	Very high	91.6	Very high	5 Å²	5	57 Å²	57	4%	0.041	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	156.7	171.9	0	0	0	0	0	110.5	F123 C138 Q231 A232 W235	A121-F123 HydrophobicContact CB-CD2 4.46Å; A121-F123 HydrophobicContact CB-CE2 3.64Å; A121-F123 HydrophobicContact CB-CZ 3.87Å; A121-F123 VanDerWaalsContact O-CD2 3.29Å; A121-F123 WeakPolarHBondContact O-CD2 3.27Å; A121-F123 WeakPolarHBondContact O-CE2 3.46Å; A121-C138 PolarHBondContact N-O 3.32Å; A121-C138 PolarHBondContact O-N 2.88Å; A121-Q231 HydrophobicContact CB-CG 4.21Å; A121-A232 HydrophobicContact CB-CB 4.36Å; A121-W235 HydrophobicContact CB-CB 3.78Å; A121-W235 HydrophobicContact CB-CG 3.97Å
122	T	95.1	Very high	91.5	Very high	67 Å²	67	62.1 Å²	62.1	41%	0.411	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	134.2	179.4	-50.6	0	0	0	0	111	T135 M136 V222	T122-T135 HydrophobicContact CG2-CG2 3.54Å; T122-M136 WeakPolarHBondContact CA-O 3.15Å; T122-V222 HydrophobicContact CG2-CG2 4.04Å
123	F	95.5	Very high	91.6	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	154.8	178.4	-62.4	-80.4	0	0	0	111	A121 V125 T135 M136 C138 L219 T220 A232 W235 L236	A121-F123 HydrophobicContact CB-CD2 4.46Å; A121-F123 HydrophobicContact CB-CE2 3.64Å; A121-F123 HydrophobicContact CB-CZ 3.87Å; A121-F123 VanDerWaalsContact O-CD2 3.29Å; A121-F123 WeakPolarHBondContact O-CD2 3.27Å; A121-F123 WeakPolarHBondContact O-CE2 3.46Å; F123-V125 HydrophobicContact CB-CG2 4.22Å; F123-T135 WeakPolarHBondContact O-CA 3.45Å; F123-M136 PolarHBondContact N-O 2.93Å; F123-M136 PolarHBondContact O-N 3.38Å; F123-C138 HydrophobicContact CD2-CB 3.67Å; F123-C138 HydrophobicContact CE2-CB 3.97Å; F123-L219 HydrophobicContact CB-CB 4.27Å; F123-L219 HydrophobicContact CD1-CB 4.19Å; F123-L219 HydrophobicContact CG-CB 4.17Å; F123-T220 CarbonylContact C-O 3.58Å; F123-T220 WeakPolarHBondContact CA-O 3.42Å; F123-A232 HydrophobicContact CD1-CB 4.37Å; F123-A232 HydrophobicContact CE1-CB 3.68Å; F123-A232 HydrophobicContact CZ-CB 4.03Å; F123-W235 AromaticContact CE2-CD2 3.91Å; F123-W235 HydrophobicContact CE2-CD2 3.91Å; F123-W235 AromaticContact CE2-CE3 3.67Å; F123-W235 HydrophobicContact CE2-CE3 3.67Å; F123-W235 HydrophobicContact CE2-CG 4.29Å; F123-W235 HydrophobicContact CE2-CZ3 4.22Å; F123-W235 HydrophobicContact CZ-CB 4.14Å; F123-W235 HydrophobicContact CZ-CD2 4.08Å; F123-W235 AromaticContact CZ-CE3 3.64Å; F123-W235 HydrophobicContact CZ-CE3 3.64Å; F123-W235 HydrophobicContact CZ-CG 4.29Å; F123-W235 HydrophobicContact CZ-CZ3 4.43Å; F123-L236 HydrophobicContact CD1-CD2 4.37Å; F123-L236 HydrophobicContact CE1-CD1 3.98Å; F123-L236 HydrophobicContact CE1-CD2 3.59Å; F123-L236 HydrophobicContact CE1-CG 3.62Å; F123-L236 HydrophobicContact CZ-CD2 3.92Å; F123-L236 HydrophobicContact CZ-CG 3.93Å
124	L	94.5	Very high	91.6	Very high	53 Å²	53	60.3 Å²	60.3	28%	0.277	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	118.5	157.4	-69	176.8	0	0	0	108.2	P133 T135 L219 T220 V222	L124-P133 HydrophobicContact CB-CB 4.1Å; L124-P133 HydrophobicContact CD2-CB 4.43Å; L124-T135 WeakPolarHBondContact CD2-OG1 3.27Å; L124-L219 CarbonylContact O-C 3.54Å; L124-T220 PolarHBondContact N-O 3.3Å; L124-T220 PolarHBondContact O-N 3.42Å; L124-V222 HydrophobicContact CG-CG2 4.28Å
125	V	95.4	Very high	91.5	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.006	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130	-173.9	-176.6	0	0	0	0	109.8	F123 F127 P133 E134 M136 L217 K218 L219	F123-V125 HydrophobicContact CB-CG2 4.22Å; V125-F127 HydrophobicContact CG1-CD2 4.35Å; V125-F127 HydrophobicContact CG1-CE2 3.85Å; V125-F127 HydrophobicContact CG1-CZ 3.99Å; V125-P133 CarbonylContact O-C 3.48Å; V125-P133 WeakPolarHBondContact O-CA 3.29Å; V125-E134 PolarHBondContact N-O 3.35Å; V125-E134 PolarHBondContact O-N 3.49Å; V125-M136 HydrophobicContact CB-CB 4.48Å; V125-M136 HydrophobicContact CB-CG 4.01Å; V125-M136 HydrophobicContact CB-SD 3.74Å; V125-M136 HydrophobicContact CG1-SD 3.91Å; V125-M136 HydrophobicContact CG2-CB 3.73Å; V125-M136 HydrophobicContact CG2-CG 3.81Å; V125-M136 HydrophobicContact CG2-SD 3.88Å; V125-L217 HydrophobicContact CG1-CD1 3.3Å; V125-L217 HydrophobicContact CG1-CD2 4.4Å; V125-L217 HydrophobicContact CG1-CG 4.02Å; V125-K218 CarbonylContact C-O 3.59Å; V125-K218 WeakPolarHBondContact CA-O 3.32Å; V125-L219 HydrophobicContact CB-CD2 4.45Å; V125-L219 HydrophobicContact CG1-CD2 4.17Å; V125-L219 HydrophobicContact CG2-CD2 3.71Å
126	T	94.6	Very high	91.6	Very high	28 Å²	28	56.7 Å²	56.7	17%	0.172	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	123	176.2	-50.3	0	0	0	0	109.5	S130 L217 K218	T126-S130 WeakPolarHBondContact CG2-O 3.44Å; T126-L217 WeakPolarHBondContact O-CA 3.48Å; T126-K218 PolarHBondContact N-O 2.86Å; T126-K218 PolarHBondContact O-N 2.99Å
127	F	91.9	Very high	91.6	Very high	47 Å²	47	58.7 Å²	58.7	21%	0.206	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	127.1	176.7	-65.1	-86.9	0	0	0	110.7	V125 N129 S130 M136 L149 Y155 L217	V125-F127 HydrophobicContact CG1-CD2 4.35Å; V125-F127 HydrophobicContact CG1-CE2 3.85Å; V125-F127 HydrophobicContact CG1-CZ 3.99Å; F127-N129 PolarHBondContact O-N 3.44Å; F127-S130 WeakPolarHBondContact O-CB 3.11Å; F127-S130 PolarHBondContact O-N 3.26Å; F127-M136 HydrophobicContact CE2-SD 4.09Å; F127-M136 HydrophobicContact CZ-SD 4.25Å; F127-L149 HydrophobicContact CE1-CD1 3.91Å; F127-L149 HydrophobicContact CZ-CD1 3.75Å; F127-Y155 HydrophobicContact CE2-CE2 4.18Å; F127-Y155 HydrophobicContact CZ-CD1 4.44Å; F127-Y155 AromaticContact CZ-CD2 3.95Å; F127-Y155 HydrophobicContact CZ-CD2 3.95Å; F127-Y155 HydrophobicContact CZ-CE2 4.04Å; F127-Y155 HydrophobicContact CZ-CG 4.14Å; F127-L217 HydrophobicContact CD1-CD1 3.31Å; F127-L217 HydrophobicContact CD2-CD1 4.36Å; F127-L217 HydrophobicContact CE1-CD1 3.28Å; F127-L217 HydrophobicContact CE2-CD1 4.34Å; F127-L217 HydrophobicContact CG-CD1 3.88Å; F127-L217 HydrophobicContact CZ-CD1 3.83Å
128	G	85.4	Confident	91.6	Very high	39 Å²	39	58.7 Å²	58.7	40%	0.402	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	-126.8	177.2	0	0	0	0	0	112.9	Q216	G128-Q216 PolarHBondContact N-O 2.78Å
129	N	74.3	Confident	91.7	Very high	158 Å²	158	61 Å²	61	85%	0.845	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	15.7	178	-62.9	-18.7	0	0	0	113.2	F127 E131	F127-N129 PolarHBondContact O-N 3.44Å; N129-E131 PolarHBondContact O-N 3.43Å
130	S	82.9	Confident	91.8	Very high	59 Å²	59	57.5 Å²	57.5	41%	0.413	31%	0.305	S	S	.	.			trans	-58.8	128.4	175.2	-178.9	0	0	0	0	109.7	T126 F127 K132	T126-S130 WeakPolarHBondContact CG2-O 3.44Å; F127-S130 WeakPolarHBondContact O-CB 3.11Å; F127-S130 PolarHBondContact O-N 3.26Å; S130-K132 VanDerWaalsContact C-N 3.3Å; S130-K132 PolarHBondContact OG-N 3.06Å; S130-K132 PolarHBondContact OG-O 3.46Å
131	E	76.4	Confident	91.8	Very high	195 Å²	195	57.7 Å²	57.7	91%	0.911	31%	0.306	S	S	*	.	S	Bend	trans	-78.9	-19.3	177.3	-64.4	-173.4	163.4	0	0	112.3	N129 P133	N129-E131 PolarHBondContact O-N 3.43Å; E131-P133 WeakPolarHBondContact O-CD 3.28Å
132	K	87.8	Confident	91.6	Very high	173 Å²	173	62.1 Å²	62.1	75%	0.752	33%	0.33	S	S	*	.	S	Bend	trans	-99.5	114.9	-176.7	-166.5	179.1	179.2	-172.3	0	110.6	S130	S130-K132 VanDerWaalsContact C-N 3.3Å; S130-K132 PolarHBondContact OG-N 3.06Å; S130-K132 PolarHBondContact OG-O 3.46Å
133	P	91.4	Very high	91.4	Very high	60 Å²	60	59.5 Å²	59.5	39%	0.39	31%	0.313	S	S	.	.			trans	-73.7	147.7	169.9	29.7	-32.6	0	0	0	111.2	L124 V125 E131	L124-P133 HydrophobicContact CB-CB 4.1Å; L124-P133 HydrophobicContact CD2-CB 4.43Å; V125-P133 CarbonylContact O-C 3.48Å; V125-P133 WeakPolarHBondContact O-CA 3.29Å; E131-P133 WeakPolarHBondContact O-CD 3.28Å
134	E	92.7	Very high	91.3	Very high	46 Å²	46	60.6 Å²	60.6	22%	0.215	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137	172.7	-172.6	-178.7	159.2	0	0	109.8	V125 M136 D152	V125-E134 PolarHBondContact N-O 3.35Å; V125-E134 PolarHBondContact O-N 3.49Å; E134-M136 HydrophobicContact CB-CG 4.24Å; E134-M136 HydrophobicContact CG-CG 3.99Å; E134-M136 PolarHBondContact O-N 3.18Å; E134-D152 PolarHBondContact OE1-N 3.46Å
135	T	94.1	Very high	91.3	Very high	84 Å²	84	60.4 Å²	60.4	52%	0.515	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	118.1	174.4	-58.3	0	0	0	0	109.4	T122 F123 L124	T122-T135 HydrophobicContact CG2-CG2 3.54Å; F123-T135 WeakPolarHBondContact O-CA 3.45Å; L124-T135 WeakPolarHBondContact CD2-OG1 3.27Å
136	M	95.4	Very high	91.3	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.01	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	151.8	-177.4	-49	-173.6	81.8	0	0	112.1	T122 F123 V125 F127 E134 L149 D150 S153 Y155	T122-M136 WeakPolarHBondContact CA-O 3.15Å; F123-M136 PolarHBondContact N-O 2.93Å; F123-M136 PolarHBondContact O-N 3.38Å; V125-M136 HydrophobicContact CB-CB 4.48Å; V125-M136 HydrophobicContact CB-CG 4.01Å; V125-M136 HydrophobicContact CB-SD 3.74Å; V125-M136 HydrophobicContact CG1-SD 3.91Å; V125-M136 HydrophobicContact CG2-CB 3.73Å; V125-M136 HydrophobicContact CG2-CG 3.81Å; V125-M136 HydrophobicContact CG2-SD 3.88Å; F127-M136 HydrophobicContact CE2-SD 4.09Å; F127-M136 HydrophobicContact CZ-SD 4.25Å; E134-M136 HydrophobicContact CB-CG 4.24Å; E134-M136 HydrophobicContact CG-CG 3.99Å; E134-M136 PolarHBondContact O-N 3.18Å; M136-L149 HydrophobicContact CE-CB 3.66Å; M136-L149 WeakPolarHBondContact CE-O 3.48Å; M136-L149 HydrophobicContact SD-CB 3.94Å; M136-D150 CarbonylContact C-O 3.52Å; M136-D150 WeakPolarHBondContact CA-O 3.48Å; M136-S153 WeakPolarHBondContact CE-O 3.46Å; M136-Y155 HydrophobicContact CE-CD2 3.77Å; M136-Y155 HydrophobicContact CE-CE2 4.12Å
137	I	96.3	Very high	91.4	Very high	81 Å²	81	60.1 Å²	60.1	42%	0.415	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	120.2	168.2	-61.9	170.5	0	0	0	108.2	D150	I137-D150 HydrophobicContact CB-CB 4.35Å; I137-D150 PolarHBondContact N-O 2.79Å; I137-D150 PolarHBondContact O-N 3.04Å
138	C	97.6	Very high	91.6	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.7	179.2	-56.2	0	0	0	0	110.1	G120 A121 F123 L147 F148 L149 W235	G120-C138 CarbonylContact C-O 3.58Å; G120-C138 WeakPolarHBondContact CA-O 3.47Å; A121-C138 PolarHBondContact N-O 3.32Å; A121-C138 PolarHBondContact O-N 2.88Å; F123-C138 HydrophobicContact CD2-CB 3.67Å; F123-C138 HydrophobicContact CE2-CB 3.97Å; C138-L147 HydrophobicContact CB-CD1 4.48Å; C138-F148 VanDerWaalsContact CA-O 3.31Å; C138-F148 WeakPolarHBondContact CA-O 3.41Å; C138-L149 HydrophobicContact CB-CD2 4.02Å; C138-L149 WeakPolarHBondContact SG-CD2 3.23Å; C138-W235 HydrophobicContact CB-CH2 4.27Å; C138-W235 HydrophobicContact CB-CZ2 4.2Å; C138-W235 PolarHBondContact O-NE1 3.3Å
139	R	97.7	Very high	92.2	Very high	103 Å²	103	57.6 Å²	57.6	39%	0.389	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	159	179.9	64.2	-178.7	167.3	162.1	-1.4	112.9	L117 F148 D150	L117-R139 WeakPolarHBondContact O-CA 3.1Å; R139-F148 HydrophobicContact CG-CB 4.07Å; R139-F148 HydrophobicContact CG-CD2 4.33Å; R139-F148 PolarHBondContact N-O 3.43Å; R139-F148 PolarHBondContact O-N 3.42Å; R139-D150 IonicContact CZ-OD2 3.92Å; R139-D150 IonicContact NE-OD2 3.5Å; R139-D150 PolarHBondContact NE-OD2 3.49Å; R139-D150 VanDerWaalsContact NE-OD2 3.14Å; R139-D150 IonicContact NH2-OD2 3.96Å; R139-D150 PolarHBondContact NH2-OD2 2.89Å
140	L	97.1	Very high	93.2	Very high	4 Å²	4	52 Å²	52	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	148.4	169.5	-64.4	-167	0	0	0	112.2	L117 L118 Q144 Y146 L147 I159 M239	L117-L140 HydrophobicContact CB-CB 4.41Å; L117-L140 HydrophobicContact CB-CD1 3.84Å; L117-L140 HydrophobicContact CB-CG 3.93Å; L117-L140 HydrophobicContact CD1-CD1 3.86Å; L117-L140 HydrophobicContact CD2-CD1 4.44Å; L117-L140 HydrophobicContact CD2-CG 4.48Å; L117-L140 HydrophobicContact CG-CD1 4.26Å; L117-L140 PolarHBondContact O-N 3.12Å; L118-L140 HydrophobicContact CD2-CB 4.2Å; L118-L140 WeakPolarHBondContact CD2-O 3.45Å; L140-Q144 HydrophobicContact CD1-CB 4.48Å; L140-Y146 CarbonylContact C-O 3.6Å; L140-Y146 WeakPolarHBondContact CA-O 3.43Å; L140-L147 HydrophobicContact CD2-CB 4.15Å; L140-L147 HydrophobicContact CD2-CD1 4.06Å; L140-I159 HydrophobicContact CD1-CD1 4.05Å; L140-I159 HydrophobicContact CD2-CD1 3.52Å; L140-I159 HydrophobicContact CD2-CG1 4.44Å; L140-I159 HydrophobicContact CG-CD1 4.41Å; L140-M239 HydrophobicContact CD2-CE 4.44Å; L140-M239 HydrophobicContact CD2-SD 4.24Å
141	S	95.3	Very high	93.7	Very high	6 Å²	6	51 Å²	51	4%	0.042	26%	0.256	C	S	.	.			trans	-65.3	160.2	169.4	68.9	0	0	0	0	112	L118 N143 Q144 R145 Y146	L118-S141 WeakPolarHBondContact CD2-O 3.28Å; S141-N143 PolarHBondContact O-N 3.34Å; S141-N143 PolarHBondContact OG-OD1 3.28Å; S141-Q144 VanDerWaalsContact O-CA 3.29Å; S141-Q144 WeakPolarHBondContact O-CA 3.48Å; S141-Q144 PolarHBondContact O-N 3.04Å; S141-Q144 PolarHBondContact OG-N 3.16Å; S141-R145 PolarHBondContact OG-N 2.98Å; S141-Y146 PolarHBondContact N-O 3.47Å; S141-Y146 PolarHBondContact OG-N 3.05Å
142	N	92	Very high	94.3	Very high	99 Å²	99	49.3 Å²	49.3	53%	0.529	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.7	-179.3	-69.8	-27.9	0	0	0	114.3	D10 Q144	D10-N142 WeakPolarHBondContact OD1-CB 3.37Å; D10-N142 WeakPolarHBondContact OD2-CB 3.2Å; D10-N142 PolarHBondContact OD2-ND2 2.82Å; N142-Q144 VanDerWaalsContact C-N 3.35Å; N142-Q144 PolarHBondContact O-NE2 3.07Å
143	N	91.5	Very high	94.4	Very high	12 Å²	12	43.9 Å²	43.9	6%	0.064	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	4.9	172.4	65.2	5.8	0	0	0	112.9	R9 S32 S141 R145	R9-N143 PolarHBondContact O-ND2 2.78Å; S32-N143 VanDerWaalsContact CA-O 3.27Å; S32-N143 WeakPolarHBondContact CA-O 3.44Å; S141-N143 PolarHBondContact O-N 3.34Å; S141-N143 PolarHBondContact OG-OD1 3.28Å; N143-R145 HydrophobicContact CB-CG 4.49Å; N143-R145 PolarHBondContact O-N 2.99Å; N143-R145 VanDerWaalsContact O-N 3.13Å; N143-R145 WeakPolarHBondContact OD1-CB 3.46Å; N143-R145 PolarHBondContact OD1-N 3.19Å
144	Q	93.6	Very high	94.5	Very high	22 Å²	22	45.8 Å²	45.8	10%	0.103	24%	0.241	C	C	.	.	S	Bend	trans	54.3	23.7	-178.6	-47.5	80.3	41.1	0	0	115	S32 P33 F34 L114 L140 S141 N142 I159	S32-Q144 PolarHBondContact OG-OE1 2.79Å; P33-Q144 WeakPolarHBondContact CD-O 3.33Å; P33-Q144 WeakPolarHBondContact CG-O 3.49Å; F34-Q144 HydrophobicContact CD2-CB 3.76Å; F34-Q144 HydrophobicContact CD2-CG 4.35Å; F34-Q144 HydrophobicContact CE2-CB 3.57Å; F34-Q144 HydrophobicContact CE2-CG 4.3Å; L114-Q144 HydrophobicContact CD1-CG 3.55Å; L140-Q144 HydrophobicContact CD1-CB 4.48Å; S141-Q144 VanDerWaalsContact O-CA 3.29Å; S141-Q144 WeakPolarHBondContact O-CA 3.48Å; S141-Q144 PolarHBondContact O-N 3.04Å; S141-Q144 PolarHBondContact OG-N 3.16Å; N142-Q144 VanDerWaalsContact C-N 3.35Å; N142-Q144 PolarHBondContact O-NE2 3.07Å; Q144-I159 WeakPolarHBondContact O-CD1 3.38Å
145	R	93	Very high	94.6	Very high	49 Å²	49	48.1 Å²	48.1	19%	0.185	25%	0.248	C	C	.	.			trans	-83.9	-28	176.9	-68.4	-158.6	78	100.1	-3.5	113.5	A29 G31 S141 N143 I159	A29-R145 WeakPolarHBondContact O-CD 3.3Å; A29-R145 PolarHBondContact O-NE 3.11Å; A29-R145 VanDerWaalsContact O-NE 3.13Å; A29-R145 PolarHBondContact O-NH1 3.32Å; G31-R145 WeakPolarHBondContact O-CD 3.38Å; G31-R145 WeakPolarHBondContact O-CG 3.37Å; G31-R145 PolarHBondContact O-NH1 3.49Å; S141-R145 PolarHBondContact OG-N 2.98Å; N143-R145 HydrophobicContact CB-CG 4.49Å; N143-R145 PolarHBondContact O-N 2.99Å; N143-R145 VanDerWaalsContact O-N 3.13Å; N143-R145 WeakPolarHBondContact OD1-CB 3.46Å; N143-R145 PolarHBondContact OD1-N 3.19Å; R145-I159 PolarHBondContact O-N 2.91Å
146	Y	95.3	Very high	94.6	Very high	23 Å²	23	48.2 Å²	48.2	9%	0.09	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.5	-173.8	-59.1	-91.1	0	0	0	110.4	L140 S141 F148 E156 I157 E158	L140-Y146 CarbonylContact C-O 3.6Å; L140-Y146 WeakPolarHBondContact CA-O 3.43Å; S141-Y146 PolarHBondContact N-O 3.47Å; S141-Y146 PolarHBondContact OG-N 3.05Å; Y146-F148 AromaticContact CG-CE1 3.99Å; Y146-F148 HydrophobicContact CG-CE1 3.99Å; Y146-E156 HydrophobicContact CD1-CB 4.08Å; Y146-I157 CarbonylContact C-O 3.37Å; Y146-I157 WeakPolarHBondContact CA-O 3.49Å; Y146-E158 HydrophobicContact CD1-CB 4.48Å; Y146-E158 HydrophobicContact CD1-CG 3.5Å; Y146-E158 HydrophobicContact CE1-CB 4.4Å; Y146-E158 HydrophobicContact CE1-CG 3.08Å; Y146-E158 VanDerWaalsContact CE1-OE1 3.27Å; Y146-E158 WeakPolarHBondContact CE1-OE1 3.28Å; Y146-E158 PolarHBondContact OH-OE1 3.16Å
147	L	97.4	Very high	94.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	116.3	158.5	172.1	63.5	0	0	0	107.2	C138 L140 L149 I157 L204 W235	C138-L147 HydrophobicContact CB-CD1 4.48Å; L140-L147 HydrophobicContact CD2-CB 4.15Å; L140-L147 HydrophobicContact CD2-CD1 4.06Å; L147-L149 HydrophobicContact CD1-CD2 4.47Å; L147-L149 HydrophobicContact CD2-CD2 4.31Å; L147-L149 HydrophobicContact CG-CD2 4.12Å; L147-I157 HydrophobicContact CB-CB 4.33Å; L147-I157 PolarHBondContact N-O 3.14Å; L147-I157 PolarHBondContact O-N 3.24Å; L147-L204 HydrophobicContact CD2-CD1 3.7Å; L147-W235 HydrophobicContact CD1-CH2 3.64Å; L147-W235 HydrophobicContact CD1-CZ2 3.67Å
148	F	97.4	Very high	94.5	Very high	33 Å²	33	47.5 Å²	47.5	15%	0.145	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	134.9	175.3	-59.8	-34.8	0	0	0	110	C138 R139 Y146 Y155 E156	C138-F148 VanDerWaalsContact CA-O 3.31Å; C138-F148 WeakPolarHBondContact CA-O 3.41Å; R139-F148 HydrophobicContact CG-CB 4.07Å; R139-F148 HydrophobicContact CG-CD2 4.33Å; R139-F148 PolarHBondContact N-O 3.43Å; R139-F148 PolarHBondContact O-N 3.42Å; Y146-F148 AromaticContact CG-CE1 3.99Å; Y146-F148 HydrophobicContact CG-CE1 3.99Å; F148-Y155 WeakPolarHBondContact CA-O 3.46Å; F148-E156 HydrophobicContact CD1-CB 4.23Å; F148-E156 HydrophobicContact CD1-CG 3.79Å; F148-E156 HydrophobicContact CE1-CB 4.28Å; F148-E156 HydrophobicContact CE1-CG 3.75Å; F148-E156 VanDerWaalsContact CE1-OE1 3.27Å; F148-E156 WeakPolarHBondContact CE1-OE1 3.36Å
149	L	96.8	Very high	94.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	105.5	171.3	-46	171.5	0	0	0	106.9	F127 M136 C138 L147 Y155 I157 L217	F127-L149 HydrophobicContact CE1-CD1 3.91Å; F127-L149 HydrophobicContact CZ-CD1 3.75Å; M136-L149 HydrophobicContact CE-CB 3.66Å; M136-L149 WeakPolarHBondContact CE-O 3.48Å; M136-L149 HydrophobicContact SD-CB 3.94Å; C138-L149 HydrophobicContact CB-CD2 4.02Å; C138-L149 WeakPolarHBondContact SG-CD2 3.23Å; L147-L149 HydrophobicContact CD1-CD2 4.47Å; L147-L149 HydrophobicContact CD2-CD2 4.31Å; L147-L149 HydrophobicContact CG-CD2 4.12Å; L149-Y155 PolarHBondContact N-O 3.01Å; L149-Y155 PolarHBondContact O-N 2.73Å; L149-I157 HydrophobicContact CD1-CD1 3.82Å; L149-L217 HydrophobicContact CD1-CD1 4.25Å; L149-L217 HydrophobicContact CD1-CD2 3.66Å; L149-L217 HydrophobicContact CD2-CD2 4.23Å
150	D	96.1	Very high	94	Very high	42 Å²	42	46 Å²	46	23%	0.225	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	106.9	-175.2	-70.7	-47.8	0	0	0	109.3	M136 I137 R139 H154	M136-D150 CarbonylContact C-O 3.52Å; M136-D150 WeakPolarHBondContact CA-O 3.48Å; I137-D150 HydrophobicContact CB-CB 4.35Å; I137-D150 PolarHBondContact N-O 2.79Å; I137-D150 PolarHBondContact O-N 3.04Å; R139-D150 IonicContact CZ-OD2 3.92Å; R139-D150 IonicContact NE-OD2 3.5Å; R139-D150 PolarHBondContact NE-OD2 3.49Å; R139-D150 VanDerWaalsContact NE-OD2 3.14Å; R139-D150 IonicContact NH2-OD2 3.96Å; R139-D150 PolarHBondContact NH2-OD2 2.89Å; D150-H154 IonicContact OD1-CE1 3.63Å; D150-H154 PolarHBondContact OD1-CE1 2.95Å; D150-H154 IonicContact OD1-CG 2.65Å; D150-H154 IonicContact OD1-ND1 3.33Å; D150-H154 PolarHBondContact OD1-ND1 3.37Å
151	G	92	Very high	93.7	Very high	37 Å²	37	48.6 Å²	48.6	38%	0.381	25%	0.252	S	S	.	.	S	Bend	trans	-135.4	-134.3	177.3	0	0	0	0	0	111	S153	G151-S153 PolarHBondContact N-O 3.29Å; G151-S153 PolarHBondContact O-N 3.23Å
152	D	90.3	Very high	93.6	Very high	160 Å²	160	49.2 Å²	49.2	86%	0.856	26%	0.255	S	S	*	.	S	Bend	trans	-67.4	-30.7	168.3	-71.7	-20.4	0	0	0	110.5	E134	E134-D152 PolarHBondContact OE1-N 3.46Å
153	S	90.3	Very high	93.6	Very high	59 Å²	59	48 Å²	48	41%	0.413	25%	0.254	S	S	.	.	S	Bend	trans	-117.1	155.6	171.3	-65.4	0	0	0	0	111.3	M136 G151	M136-S153 WeakPolarHBondContact CE-O 3.46Å; G151-S153 PolarHBondContact N-O 3.29Å; G151-S153 PolarHBondContact O-N 3.23Å
154	H	92.9	Very high	93.6	Very high	99 Å²	99	49.2 Å²	49.2	46%	0.458	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.5	175	179.1	72.5	0	0	0	110.2	D150 E156	D150-H154 IonicContact OD1-CE1 3.63Å; D150-H154 PolarHBondContact OD1-CE1 2.95Å; D150-H154 IonicContact OD1-CG 2.65Å; D150-H154 IonicContact OD1-ND1 3.33Å; D150-H154 PolarHBondContact OD1-ND1 3.37Å; H154-E156 WeakPolarHBondContact NE2-CG 3.48Å; H154-E156 IonicContact NE2-OE1 3.95Å
155	Y	94.4	Very high	93.6	Very high	95 Å²	95	49.3 Å²	49.3	37%	0.373	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.6	174.1	-59.3	-96.2	0	0	0	111	F127 M136 F148 L149	F127-Y155 HydrophobicContact CE2-CE2 4.18Å; F127-Y155 HydrophobicContact CZ-CD1 4.44Å; F127-Y155 AromaticContact CZ-CD2 3.95Å; F127-Y155 HydrophobicContact CZ-CD2 3.95Å; F127-Y155 HydrophobicContact CZ-CE2 4.04Å; F127-Y155 HydrophobicContact CZ-CG 4.14Å; M136-Y155 HydrophobicContact CE-CD2 3.77Å; M136-Y155 HydrophobicContact CE-CE2 4.12Å; F148-Y155 WeakPolarHBondContact CA-O 3.46Å; L149-Y155 PolarHBondContact N-O 3.01Å; L149-Y155 PolarHBondContact O-N 2.73Å
156	E	95.3	Very high	93.5	Very high	86 Å²	86	50.7 Å²	50.7	40%	0.402	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.2	174.1	-55.5	-173.3	129.7	0	0	109.2	R9 Y146 F148 H154	R9-E156 IonicContact NH1-OE1 3.82Å; R9-E156 PolarHBondContact NH1-OE1 2.9Å; R9-E156 IonicContact NH1-OE2 3.98Å; Y146-E156 HydrophobicContact CD1-CB 4.08Å; F148-E156 HydrophobicContact CD1-CB 4.23Å; F148-E156 HydrophobicContact CD1-CG 3.79Å; F148-E156 HydrophobicContact CE1-CB 4.28Å; F148-E156 HydrophobicContact CE1-CG 3.75Å; F148-E156 VanDerWaalsContact CE1-OE1 3.27Å; F148-E156 WeakPolarHBondContact CE1-OE1 3.36Å; H154-E156 WeakPolarHBondContact NE2-CG 3.48Å; H154-E156 IonicContact NE2-OE1 3.95Å
157	I	94.8	Very high	93.4	Very high	7 Å²	7	52.1 Å²	52.1	4%	0.036	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	117	173.3	-58.6	173.7	0	0	0	108.4	Y146 L147 L149 I159 I162 Y206 L217	Y146-I157 CarbonylContact C-O 3.37Å; Y146-I157 WeakPolarHBondContact CA-O 3.49Å; L147-I157 HydrophobicContact CB-CB 4.33Å; L147-I157 PolarHBondContact N-O 3.14Å; L147-I157 PolarHBondContact O-N 3.24Å; L149-I157 HydrophobicContact CD1-CD1 3.82Å; I157-I159 PolarHBondContact O-N 3.16Å; I157-I162 HydrophobicContact CG2-CD1 4.25Å; I157-I162 HydrophobicContact CG2-CG1 3.99Å; I157-Y206 HydrophobicContact CD1-CD1 4.25Å; I157-Y206 HydrophobicContact CD1-CE1 3.74Å; I157-Y206 HydrophobicContact CD1-CE2 4.24Å; I157-Y206 HydrophobicContact CG1-CE1 4.49Å; I157-Y206 HydrophobicContact CG1-CE2 4.11Å; I157-Y206 HydrophobicContact CG2-CD1 4.35Å; I157-Y206 HydrophobicContact CG2-CD2 3.85Å; I157-Y206 HydrophobicContact CG2-CE2 4.22Å; I157-Y206 HydrophobicContact CG2-CG 3.91Å; I157-L217 HydrophobicContact CD1-CD2 3.92Å
158	E	93.7	Very high	93.1	Very high	62 Å²	62	54.6 Å²	54.6	29%	0.29	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	123	172.3	-79.1	-167.7	-167.8	0	0	110.9	Y146 V160 H161	Y146-E158 HydrophobicContact CD1-CB 4.48Å; Y146-E158 HydrophobicContact CD1-CG 3.5Å; Y146-E158 HydrophobicContact CE1-CB 4.4Å; Y146-E158 HydrophobicContact CE1-CG 3.08Å; Y146-E158 VanDerWaalsContact CE1-OE1 3.27Å; Y146-E158 WeakPolarHBondContact CE1-OE1 3.28Å; Y146-E158 PolarHBondContact OH-OE1 3.16Å; E158-V160 HydrophobicContact CB-CG2 4.14Å; E158-V160 PolarHBondContact O-N 3.02Å; E158-V160 VanDerWaalsContact O-N 3.17Å; E158-H161 PolarHBondContact O-N 3.41Å; E158-H161 IonicContact OE2-CE1 3.52Å; E158-H161 IonicContact OE2-ND1 3.94Å
159	I	93.8	Very high	92.6	Very high	6 Å²	6	56 Å²	56	3%	0.031	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-57.2	-36	-177.3	-82.1	-169.4	0	0	0	111.9	P33 F34 L140 Q144 R145 I157 H161 I162 M239 L246	P33-I159 HydrophobicContact CB-CG2 4.39Å; P33-I159 HydrophobicContact CG-CB 4.34Å; P33-I159 HydrophobicContact CG-CG2 3.89Å; F34-I159 HydrophobicContact CE2-CD1 4.4Å; F34-I159 HydrophobicContact CZ-CD1 4.48Å; L140-I159 HydrophobicContact CD1-CD1 4.05Å; L140-I159 HydrophobicContact CD2-CD1 3.52Å; L140-I159 HydrophobicContact CD2-CG1 4.44Å; L140-I159 HydrophobicContact CG-CD1 4.41Å; Q144-I159 WeakPolarHBondContact O-CD1 3.38Å; R145-I159 PolarHBondContact O-N 2.91Å; I157-I159 PolarHBondContact O-N 3.16Å; I159-H161 PolarHBondContact O-N 3.28Å; I159-I162 HydrophobicContact CG1-CD1 4.3Å; I159-I162 WeakPolarHBondContact O-CB 3.37Å; I159-I162 PolarHBondContact O-N 3.25Å; I159-I162 VanDerWaalsContact O-N 3.08Å; I159-M239 HydrophobicContact CD1-CE 4.42Å; I159-L246 HydrophobicContact CG2-CD1 3.31Å; I159-L246 HydrophobicContact CG2-CD2 4.22Å; I159-L246 HydrophobicContact CG2-CG 4.41Å
160	V	90.9	Very high	91.7	Very high	66 Å²	66	61.6 Å²	61.6	40%	0.4	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-64.6	-19.1	-179.1	-64.1	0	0	0	0	113.3	P33 E158	P33-V160 HydrophobicContact CB-CG1 3.9Å; E158-V160 HydrophobicContact CB-CG2 4.14Å; E158-V160 PolarHBondContact O-N 3.02Å; E158-V160 VanDerWaalsContact O-N 3.17Å
161	H	91.9	Very high	89.5	Confident	58 Å²	58	62.8 Å²	62.8	27%	0.269	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-94	-3.7	176.9	-62.6	141.8	0	0	0	113.6	E158 I159 S163 Y206 T207 P209	E158-H161 PolarHBondContact O-N 3.41Å; E158-H161 IonicContact OE2-CE1 3.52Å; E158-H161 IonicContact OE2-ND1 3.94Å; I159-H161 PolarHBondContact O-N 3.28Å; H161-S163 PolarHBondContact O-N 3.34Å; H161-Y206 WeakPolarHBondContact O-CA 3.46Å; H161-Y206 WeakPolarHBondContact O-CB 3.32Å; H161-T207 WeakPolarHBondContact CB-O 3.4Å; H161-T207 PolarHBondContact O-N 3.22Å; H161-T207 VanDerWaalsContact O-N 3.15Å; H161-P209 VanDerWaalsContact CE1-CG 3.48Å; H161-P209 WeakPolarHBondContact CE1-CG 3.17Å
162	I	93.1	Very high	87.1	Confident	19 Å²	19	68.5 Å²	68.5	10%	0.097	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	117.8	173.9	-58	176.2	0	0	0	108.3	I157 I159 V165 Q205 M239	I157-I162 HydrophobicContact CG2-CD1 4.25Å; I157-I162 HydrophobicContact CG2-CG1 3.99Å; I159-I162 HydrophobicContact CG1-CD1 4.3Å; I159-I162 WeakPolarHBondContact O-CB 3.37Å; I159-I162 PolarHBondContact O-N 3.25Å; I159-I162 VanDerWaalsContact O-N 3.08Å; I162-V165 HydrophobicContact CG2-CG2 3.59Å; I162-Q205 CarbonylContact C-O 3.59Å; I162-Q205 WeakPolarHBondContact CA-O 3.01Å; I162-M239 HydrophobicContact CD1-CE 4.25Å
163	S	91.3	Very high	84.5	Confident	73 Å²	73	66.2 Å²	66.2	51%	0.51	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-34.5	-179.5	55.2	0	0	0	0	112.7	H161 Q205	H161-S163 PolarHBondContact O-N 3.34Å; S163-Q205 PolarHBondContact N-O 2.82Å; S163-Q205 PolarHBondContact OG-O 2.79Å
164	T	91	Very high	82.3	Confident	37 Å²	37	69 Å²	69	23%	0.227	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	134.8	-175.5	-55.1	0	0	0	0	110.5	Q166 L204 Q205	T164-Q166 HydrophobicContact CG2-CG 3.84Å; T164-Q166 VanDerWaalsContact CG2-NE2 3.34Å; T164-L204 WeakPolarHBondContact O-CA 3.38Å; T164-Q205 PolarHBondContact N-O 3.46Å; T164-Q205 PolarHBondContact O-N 3.29Å; T164-Q205 PolarHBondContact OG1-OE1 2.93Å
165	V	93.4	Very high	79.7	Confident	24 Å²	24	67.3 Å²	67.3	15%	0.145	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	113.9	172	-178	0	0	0	0	109	I162 M202 L204 A243	I162-V165 HydrophobicContact CG2-CG2 3.59Å; V165-M202 HydrophobicContact CG1-CE 4.02Å; V165-M202 HydrophobicContact CG1-CG 4.3Å; V165-M202 HydrophobicContact CG1-SD 3.78Å; V165-L204 HydrophobicContact CB-CD2 4.03Å; V165-L204 HydrophobicContact CG1-CD2 3.73Å; V165-L204 HydrophobicContact CG2-CD2 3.7Å; V165-A243 HydrophobicContact CB-CB 3.76Å; V165-A243 HydrophobicContact CG1-CB 3.99Å; V165-A243 HydrophobicContact CG2-CB 3.67Å
166	Q	91.6	Very high	77	Confident	79 Å²	79	72.1 Å²	72.1	37%	0.369	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.1	-179.7	-67.3	173.4	20.4	0	0	110.2	T164 M202 F203	T164-Q166 HydrophobicContact CG2-CG 3.84Å; T164-Q166 VanDerWaalsContact CG2-NE2 3.34Å; Q166-M202 CarbonylContact O-C 3.56Å; Q166-M202 VanDerWaalsContact O-CA 3.25Å; Q166-M202 WeakPolarHBondContact O-CA 3.33Å; Q166-M202 WeakPolarHBondContact O-CG 3.34Å; Q166-F203 HydrophobicContact CB-CB 4.29Å; Q166-F203 PolarHBondContact N-O 3.44Å; Q166-F203 PolarHBondContact O-N 3.38Å
167	L	93	Very high	74.4	Confident	52 Å²	52	77 Å²	77	27%	0.272	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	130.5	175.5	-167.6	69.9	0	0	0	109.1	T169 A199 M202 L236	L167-T169 HydrophobicContact CD2-CG2 4.41Å; L167-T169 HydrophobicContact CG-CG2 4.47Å; L167-A199 HydrophobicContact CD1-CB 3.84Å; L167-A199 HydrophobicContact CD2-CB 4.08Å; L167-A199 HydrophobicContact CG-CB 4.05Å; L167-M202 HydrophobicContact CD1-CE 3.91Å; L167-L236 HydrophobicContact CD1-CB 3.76Å
168	L	91.1	Very high	71.9	Confident	53 Å²	53	83.9 Å²	83.9	28%	0.277	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	134.5	175.4	-52.3	177.1	0	0	0	109.1	A199 T200 G201 F203 K218	L168-A199 CarbonylContact O-C 3.58Å; L168-A199 WeakPolarHBondContact O-CA 3.39Å; L168-T200 PolarHBondContact O-N 3.3Å; L168-T200 PolarHBondContact O-OG1 3.04Å; L168-G201 PolarHBondContact N-O 2.89Å; L168-G201 PolarHBondContact O-N 2.84Å; L168-F203 HydrophobicContact CD2-CB 4.48Å; L168-K218 HydrophobicContact CD1-CD 4.43Å; L168-K218 HydrophobicContact CD1-CG 4.25Å
169	T	87.1	Confident	69.4	Low	62 Å²	62	87.2 Å²	87.2	38%	0.38	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	143.1	-175.3	57.4	0	0	0	0	111.6	L167 A197 R198	L167-T169 HydrophobicContact CD2-CG2 4.41Å; L167-T169 HydrophobicContact CG-CG2 4.47Å; T169-A197 HydrophobicContact CG2-CB 4.21Å; T169-R198 WeakPolarHBondContact CA-O 3.42Å
170	E	76.9	Confident	66.9	Low	118 Å²	118	94.6 Å²	94.6	55%	0.551	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	138.7	169.6	-77.4	171.8	-173.5	0	0	111.2	R198 T200	E170-R198 PolarHBondContact N-O 3.08Å; E170-T200 HydrophobicContact CB-CG2 4Å; E170-T200 HydrophobicContact CG-CG2 3.64Å
171	G	51.7	Low	64.4	Low	67 Å²	67	94.5 Å²	94.5	69%	0.691	53%	0.529	S	S	*	.			trans	149	4.7	168	0	0	0	0	0	120.5
172	F	41.2	Very low	61.9	Low	156 Å²	156	98.6 Å²	98.6	68%	0.684	54%	0.543	S	S	*	.			trans	-127.8	139.2	175.4	-65.7	-79.4	0	0	0	111.3
173	P	35.2	Very low	59.4	Low	112 Å²	112	101.6 Å²	101.6	73%	0.727	56%	0.563	S	S	*	*			trans	-67.9	152.7	178.5	27.6	-32.7	0	0	0	111.6	G175	P173-G175 PolarHBondContact O-N 3.36Å
174	P	43.2	Very low	56.6	Low	118 Å²	118	103 Å²	103	77%	0.766	57%	0.572	S	S	*	*	S	Bend	trans	-75.7	88.6	-178.9	31.4	-32	0	0	0	109.4
175	G	39.7	Very low	54.5	Low	63 Å²	63	105.8 Å²	105.8	65%	0.649	59%	0.585	S	S	*	*			trans	-151.1	102.9	175.5	0	0	0	0	0	108.8	P173	P173-G175 PolarHBondContact O-N 3.36Å
176	E	38.2	Very low	51.7	Low	196 Å²	196	112 Å²	112	92%	0.916	62%	0.617	S	S	*	*	S	Bend	trans	69.7	100.2	178.8	-64.9	-174.8	145.4	0	0	117
177	K	39.6	Very low	49.1	Very low	189 Å²	189	111.9 Å²	111.9	82%	0.822	64%	0.637	S	S	*	*			trans	73.6	77.4	165.4	-56.8	177.9	-178.5	174.2	0	115.8	I179	K177-I179 PolarHBondContact O-N 2.71Å
178	D	42.3	Very low	46.1	Very low	151 Å²	151	113.8 Å²	113.8	81%	0.807	66%	0.655	S	S	*	*			trans	-67.1	50.9	163.3	-95.2	-35.1	0	0	0	113.5
179	I	41.4	Very low	43.1	Very low	132 Å²	132	119.8 Å²	119.8	68%	0.677	68%	0.681	S	S	*	*			trans	-144.7	84.5	168.4	-52.2	176.6	0	0	0	106.3	K177 A181	K177-I179 PolarHBondContact O-N 2.71Å; I179-A181 HydrophobicContact CG2-CB 3.39Å; I179-A181 PolarHBondContact O-N 2.88Å
180	H	42.2	Very low	40.6	Very low	162 Å²	162	122.9 Å²	122.9	75%	0.75	70%	0.702	S	S	*	*			trans	-73.2	59.7	153.8	-76.5	-55.2	0	0	0	109.2	Y182	H180-Y182 PolarHBondContact O-N 3.24Å
181	A	36.6	Very low	38.5	Very low	63 Å²	63	122 Å²	122	52%	0.521	72%	0.715	S	S	.	*			trans	-70.2	81.6	151.3	0	0	0	0	0	106	I179	I179-A181 HydrophobicContact CG2-CB 3.39Å; I179-A181 PolarHBondContact O-N 2.88Å
182	Y	40.8	Very low	37.5	Very low	145 Å²	145	124 Å²	124	57%	0.569	72%	0.718	S	S	*	*			trans	-119.6	69.7	164.7	-156.7	-96.7	0	0	0	110.3	H180 S188	H180-Y182 PolarHBondContact O-N 3.24Å; Y182-S188 PolarHBondContact OH-OG 3.5Å
183	T	39.8	Very low	37.5	Very low	82 Å²	82	126 Å²	126	50%	0.503	73%	0.73	S	S	.	*			trans	-154	66.4	138.5	2	0	0	0	0	107.8
184	S	33.4	Very low	37.3	Very low	101 Å²	101	124.8 Å²	124.8	71%	0.706	74%	0.737	S	S	*	*			trans	-66.4	141.3	144.9	-169.4	0	0	0	0	106.8	L186	S184-L186 PolarHBondContact O-N 2.94Å
185	L	46.3	Very low	37	Very low	97 Å²	97	122 Å²	122	51%	0.508	73%	0.731	S	S	.	*	S	Bend	trans	-78.2	23.9	-154.6	-65.1	165.9	0	0	0	114.4	Y247	L185-Y247 HydrophobicContact CB-CE1 4.22Å; L185-Y247 HydrophobicContact CB-CE2 4.4Å; L185-Y247 WeakPolarHBondContact CB-OH 3.26Å; L185-Y247 HydrophobicContact CD1-CD2 4.39Å; L185-Y247 HydrophobicContact CD1-CE2 3.39Å; L185-Y247 WeakPolarHBondContact CD1-OH 3.37Å; L185-Y247 HydrophobicContact CD2-CD1 3.82Å; L185-Y247 HydrophobicContact CD2-CD2 3.55Å; L185-Y247 HydrophobicContact CD2-CE1 3.5Å; L185-Y247 HydrophobicContact CD2-CE2 3.19Å; L185-Y247 HydrophobicContact CD2-CG 3.87Å; L185-Y247 HydrophobicContact CG-CE1 4.28Å; L185-Y247 HydrophobicContact CG-CE2 3.75Å
186	L	33.7	Very low	37.2	Very low	154 Å²	154	126.7 Å²	126.7	81%	0.806	74%	0.741	S	S	*	*	S	Bend	trans	-140.6	112.3	-175.5	-79	164.4	0	0	0	111.2	S184	S184-L186 PolarHBondContact O-N 2.94Å
187	G	37.8	Very low	38.2	Very low	76 Å²	76	119.8 Å²	119.8	78%	0.784	72%	0.717	S	S	*	*			trans	41.8	105.5	148.3	0	0	0	0	0	119
188	S	30	Very low	40.1	Very low	93 Å²	93	119.2 Å²	119.2	65%	0.65	71%	0.71	S	S	*	*				-165.6	159.7	122.1	46.8	0	0	0	0	111.9	Y182	Y182-S188 PolarHBondContact OH-OG 3.5Å
189	Q	28.6	Very low	42.3	Very low	179 Å²	179	112.3 Å²	112.3	84%	0.836	67%	0.674	S	S	*	*			trans	-55.7	162.1	-167.4	-76.9	-176.6	-18.1	0	0	115.6	A191	Q189-A191 PolarHBondContact O-N 3.47Å; Q189-A191 VanDerWaalsContact O-N 3.16Å
190	P	33.8	Very low	44.7	Very low	127 Å²	127	107 Å²	107	83%	0.825	65%	0.648	S	S	*	*			trans	-68.7	115.4	179.2	26.5	-27.7	0	0	0	109.7
191	A	32.9	Very low	47.1	Very low	99 Å²	99	99.4 Å²	99.4	82%	0.818	61%	0.613	S	S	*	*			trans	-64.2	139.8	166	0	0	0	0	0	109.4	Q189	Q189-A191 PolarHBondContact O-N 3.47Å; Q189-A191 VanDerWaalsContact O-N 3.16Å
192	S	30.2	Very low	49.9	Very low	109 Å²	109	96.4 Å²	96.4	76%	0.762	59%	0.588	S	S	*	*			trans	-51.1	151.3	-173.1	55.4	0	0	0	0	115.1	G194	S192-G194 PolarHBondContact O-N 3.41Å
193	E	41.6	Very low	52.5	Low	199 Å²	199	91.4 Å²	91.4	93%	0.93	57%	0.569	S	S	*	*	S	Bend	trans	-37.4	130	158.2	-64.6	176.8	138.4	0	0	111.6
194	G	32.3	Very low	55.2	Low	85 Å²	85	87.5 Å²	87.5	88%	0.876	55%	0.545	S	S	*	.			trans	153.4	8.7	169.7	0	0	0	0	0	119.9	S192	S192-G194 PolarHBondContact O-N 3.41Å
195	G	35.1	Very low	58.1	Low	61 Å²	61	84.8 Å²	84.8	63%	0.629	52%	0.522	S	S	*	.			trans	-138.1	110.5	177	0	0	0	0	0	112.7	A197	G195-A197 PolarHBondContact O-N 3.23Å
196	N	45.6	Very low	60.4	Low	160 Å²	160	81.2 Å²	81.2	86%	0.856	50%	0.502	S	S	*	.			trans	-74.2	53.8	173.5	-84.9	-22.5	0	0	0	111.3	R198	N196-R198 PolarHBondContact O-N 3.43Å
197	A	58.1	Low	63.2	Low	52 Å²	52	76.8 Å²	76.8	43%	0.43	48%	0.481	S	S	.	.			trans	-63	109.5	169.4	0	0	0	0	0	107.9	T169 G195	T169-A197 HydrophobicContact CG2-CB 4.21Å; G195-A197 PolarHBondContact O-N 3.23Å
198	R	79.4	Confident	65.6	Low	176 Å²	176	75.8 Å²	75.8	66%	0.664	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	123	-179.4	-76.3	179.2	170.4	169.5	-1.3	108.2	T169 E170 N196 T200	T169-R198 WeakPolarHBondContact CA-O 3.42Å; E170-R198 PolarHBondContact N-O 3.08Å; N196-R198 PolarHBondContact O-N 3.43Å; R198-T200 PolarHBondContact O-N 3.41Å
199	A	88.1	Confident	68.3	Low	6 Å²	6	75.9 Å²	75.9	5%	0.05	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	128.7	171.4	0	0	0	0	0	109.6	L167 L168 V233 L236 V237	L167-A199 HydrophobicContact CD1-CB 3.84Å; L167-A199 HydrophobicContact CD2-CB 4.08Å; L167-A199 HydrophobicContact CG-CB 4.05Å; L168-A199 CarbonylContact O-C 3.58Å; L168-A199 WeakPolarHBondContact O-CA 3.39Å; A199-V233 HydrophobicContact CB-CG1 4.35Å; A199-V233 WeakPolarHBondContact O-CG2 3.17Å; A199-L236 HydrophobicContact CB-CB 4.34Å; A199-L236 HydrophobicContact CB-CD1 4.23Å; A199-V237 HydrophobicContact CB-CG2 4.37Å
200	T	91.5	Very high	71	Confident	22 Å²	22	71.6 Å²	71.6	14%	0.135	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	-19.1	179.3	53.4	0	0	0	0	112.3	L168 E170 R198 A221	L168-T200 PolarHBondContact O-N 3.3Å; L168-T200 PolarHBondContact O-OG1 3.04Å; E170-T200 HydrophobicContact CB-CG2 4Å; E170-T200 HydrophobicContact CG-CG2 3.64Å; R198-T200 PolarHBondContact O-N 3.41Å; T200-A221 WeakPolarHBondContact O-CB 3.44Å; T200-A221 PolarHBondContact O-N 2.95Å
201	G	94	Very high	73.5	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.01	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	-171.9	175.9	0	0	0	0	0	113.1	L168 L219	L168-G201 PolarHBondContact N-O 2.89Å; L168-G201 PolarHBondContact O-N 2.84Å; G201-L219 CarbonylContact C-O 3.56Å; G201-L219 WeakPolarHBondContact CA-O 3.14Å
202	M	95.7	Very high	75.7	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	142.3	176.8	173.2	168.2	-66.1	0	0	110	V165 Q166 L167 L204 K218 L219 L236 M239 H240	V165-M202 HydrophobicContact CG1-CE 4.02Å; V165-M202 HydrophobicContact CG1-CG 4.3Å; V165-M202 HydrophobicContact CG1-SD 3.78Å; Q166-M202 CarbonylContact O-C 3.56Å; Q166-M202 VanDerWaalsContact O-CA 3.25Å; Q166-M202 WeakPolarHBondContact O-CA 3.33Å; Q166-M202 WeakPolarHBondContact O-CG 3.34Å; L167-M202 HydrophobicContact CD1-CE 3.91Å; M202-L204 HydrophobicContact CG-CD2 3.75Å; M202-L204 HydrophobicContact CG-CG 4.12Å; M202-L204 HydrophobicContact SD-CD2 3.75Å; M202-L204 HydrophobicContact SD-CG 4.45Å; M202-K218 CarbonylContact O-C 3.53Å; M202-K218 WeakPolarHBondContact O-CA 3.26Å; M202-L219 HydrophobicContact CB-CB 4.37Å; M202-L219 HydrophobicContact CB-CD1 4.47Å; M202-L219 PolarHBondContact N-O 3.25Å; M202-L219 PolarHBondContact O-N 2.94Å; M202-L236 HydrophobicContact CB-CD2 3.46Å; M202-L236 VanDerWaalsContact CB-CD2 3.46Å; M202-L236 HydrophobicContact CE-CB 4.38Å; M202-L236 HydrophobicContact CE-CD2 4.34Å; M202-L236 WeakPolarHBondContact CE-O 3.42Å; M202-M239 HydrophobicContact CE-CB 3.96Å; M202-M239 HydrophobicContact CE-CG 4.29Å; M202-M239 HydrophobicContact SD-CB 4.02Å; M202-M239 HydrophobicContact SD-CG 3.75Å; M202-H240 HydrophobicContact CE-CB 4.08Å
203	F	95.5	Very high	78.4	Confident	41 Å²	41	71.4 Å²	71.4	18%	0.18	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.1	173.8	179.2	-99.5	0	0	0	109.2	Q166 L168 Q205 Q216 L217	Q166-F203 HydrophobicContact CB-CB 4.29Å; Q166-F203 PolarHBondContact N-O 3.44Å; Q166-F203 PolarHBondContact O-N 3.38Å; L168-F203 HydrophobicContact CD2-CB 4.48Å; F203-Q205 HydrophobicContact CD1-CG 4.26Å; F203-Q205 HydrophobicContact CE1-CG 3.42Å; F203-Q205 VanDerWaalsContact CE1-CG 3.42Å; F203-Q205 HydrophobicContact CZ-CG 3.89Å; F203-Q216 HydrophobicContact CE2-CB 3.87Å; F203-Q216 HydrophobicContact CE2-CG 4.33Å; F203-Q216 HydrophobicContact CZ-CB 3.93Å; F203-Q216 HydrophobicContact CZ-CG 3.9Å; F203-L217 WeakPolarHBondContact CA-O 3.32Å
204	L	95.4	Very high	80.7	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	140.6	179.4	-54.9	177.8	0	0	0	109.6	L147 T164 V165 M202 Q216 L217 L219	L147-L204 HydrophobicContact CD2-CD1 3.7Å; T164-L204 WeakPolarHBondContact O-CA 3.38Å; V165-L204 HydrophobicContact CB-CD2 4.03Å; V165-L204 HydrophobicContact CG1-CD2 3.73Å; V165-L204 HydrophobicContact CG2-CD2 3.7Å; M202-L204 HydrophobicContact CG-CD2 3.75Å; M202-L204 HydrophobicContact CG-CG 4.12Å; M202-L204 HydrophobicContact SD-CD2 3.75Å; M202-L204 HydrophobicContact SD-CG 4.45Å; L204-Q216 WeakPolarHBondContact O-CA 3.46Å; L204-L217 HydrophobicContact CB-CB 4.26Å; L204-L217 HydrophobicContact CD1-CD2 4.18Å; L204-L217 PolarHBondContact N-O 3.46Å; L204-L217 PolarHBondContact O-N 2.96Å; L204-L219 HydrophobicContact CD1-CD1 4.46Å
205	Q	94.8	Very high	83.6	Confident	44 Å²	44	63.7 Å²	63.7	21%	0.206	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.6	165.8	-59.9	-176.4	-49.7	0	0	109.5	I162 S163 T164 F203 V214 T215 Q216	I162-Q205 CarbonylContact C-O 3.59Å; I162-Q205 WeakPolarHBondContact CA-O 3.01Å; S163-Q205 PolarHBondContact N-O 2.82Å; S163-Q205 PolarHBondContact OG-O 2.79Å; T164-Q205 PolarHBondContact N-O 3.46Å; T164-Q205 PolarHBondContact O-N 3.29Å; T164-Q205 PolarHBondContact OG1-OE1 2.93Å; F203-Q205 HydrophobicContact CD1-CG 4.26Å; F203-Q205 HydrophobicContact CE1-CG 3.42Å; F203-Q205 VanDerWaalsContact CE1-CG 3.42Å; F203-Q205 HydrophobicContact CZ-CG 3.89Å; Q205-V214 HydrophobicContact CB-CG1 3.67Å; Q205-V214 HydrophobicContact CG-CG1 4.28Å; Q205-T215 WeakPolarHBondContact CA-O 3.28Å; Q205-Q216 HydrophobicContact CG-CG 4.33Å
206	Y	93.5	Very high	86.4	Confident	22 Å²	22	64.3 Å²	64.3	9%	0.086	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	156.3	179.9	66.3	-80.3	0	0	0	111.6	I157 H161 V208 T215 L217	I157-Y206 HydrophobicContact CD1-CD1 4.25Å; I157-Y206 HydrophobicContact CD1-CE1 3.74Å; I157-Y206 HydrophobicContact CD1-CE2 4.24Å; I157-Y206 HydrophobicContact CG1-CE1 4.49Å; I157-Y206 HydrophobicContact CG1-CE2 4.11Å; I157-Y206 HydrophobicContact CG2-CD1 4.35Å; I157-Y206 HydrophobicContact CG2-CD2 3.85Å; I157-Y206 HydrophobicContact CG2-CE2 4.22Å; I157-Y206 HydrophobicContact CG2-CG 3.91Å; H161-Y206 WeakPolarHBondContact O-CA 3.46Å; H161-Y206 WeakPolarHBondContact O-CB 3.32Å; Y206-V208 HydrophobicContact CD2-CG2 4.08Å; Y206-V208 HydrophobicContact CE2-CG2 3.63Å; Y206-T215 HydrophobicContact CE1-CG2 3.79Å; Y206-T215 HydrophobicContact CE2-CG2 4.23Å; Y206-T215 PolarHBondContact N-O 3.35Å; Y206-T215 PolarHBondContact O-N 2.92Å; Y206-T215 WeakPolarHBondContact OH-CG2 3.32Å; Y206-L217 HydrophobicContact CE1-CB 4.23Å
207	T	93.3	Very high	88.7	Confident	60 Å²	60	56.7 Å²	56.7	37%	0.368	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-101.1	137.2	176.1	53.6	0	0	0	0	110.4	H161 V214	H161-T207 WeakPolarHBondContact CB-O 3.4Å; H161-T207 PolarHBondContact O-N 3.22Å; H161-T207 VanDerWaalsContact O-N 3.15Å; T207-V214 HydrophobicContact CG2-CG2 4.35Å
208	V	89	Confident	90.5	Very high	56 Å²	56	58.8 Å²	58.8	34%	0.339	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-96.8	124	172.5	-180	0	0	0	0	108.8	Y206 G210 T211	Y206-V208 HydrophobicContact CD2-CG2 4.08Å; Y206-V208 HydrophobicContact CE2-CG2 3.63Å; V208-G210 PolarHBondContact O-N 3.38Å; V208-T211 HydrophobicContact CB-CG2 4.18Å; V208-T211 WeakPolarHBondContact CB-OG1 3.29Å; V208-T211 HydrophobicContact CG1-CG2 4.14Å; V208-T211 PolarHBondContact O-N 3.42Å; V208-T211 VanDerWaalsContact O-N 3.09Å; V208-T211 PolarHBondContact O-OG1 3.26Å
209	P	86.3	Confident	91.3	Very high	94 Å²	94	50.4 Å²	50.4	61%	0.61	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	130.4	177.2	-26.7	34.8	0	0	0	111.8	H161	H161-P209 VanDerWaalsContact CE1-CG 3.48Å; H161-P209 WeakPolarHBondContact CE1-CG 3.17Å
210	G	84.4	Confident	91.6	Very high	90 Å²	90	52.2 Å²	52.2	93%	0.928	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	2.5	-179.6	0	0	0	0	0	115.4	V208	V208-G210 PolarHBondContact O-N 3.38Å
211	T	86.1	Confident	91.6	Very high	77 Å²	77	51.7 Å²	51.7	47%	0.472	31%	0.31	S	S	.	.	S	Bend	trans	-112.5	142.8	172.2	66.4	0	0	0	0	110.9	V208	V208-T211 HydrophobicContact CB-CG2 4.18Å; V208-T211 WeakPolarHBondContact CB-OG1 3.29Å; V208-T211 HydrophobicContact CG1-CG2 4.14Å; V208-T211 PolarHBondContact O-N 3.42Å; V208-T211 VanDerWaalsContact O-N 3.09Å; V208-T211 PolarHBondContact O-OG1 3.26Å
212	E	80.6	Confident	91	Very high	207 Å²	207	53.1 Å²	53.1	97%	0.967	32%	0.319	S	S	*	.	S	Bend	trans	-86.3	108.8	170.9	-66.8	-172.5	173.6	0	0	109.1
213	G	85.4	Confident	89.8	Confident	46 Å²	46	60.2 Å²	60.2	47%	0.474	35%	0.352	S	S	.	.	S	Bend	trans	137.9	-179.2	174.1	0	0	0	0	0	114.7
214	V	90.6	Very high	88.3	Confident	79 Å²	79	64.2 Å²	64.2	48%	0.479	38%	0.375	S	S	.	.			trans	-114.3	124.6	177.4	178.7	0	0	0	0	108.4	Q205 T207	Q205-V214 HydrophobicContact CB-CG1 3.67Å; Q205-V214 HydrophobicContact CG-CG1 4.28Å; T207-V214 HydrophobicContact CG2-CG2 4.35Å
215	T	93.3	Very high	86.5	Confident	44 Å²	44	67.9 Å²	67.9	27%	0.27	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	144.2	174.3	-53.8	0	0	0	0	109.6	Q205 Y206	Q205-T215 WeakPolarHBondContact CA-O 3.28Å; Y206-T215 HydrophobicContact CE1-CG2 3.79Å; Y206-T215 HydrophobicContact CE2-CG2 4.23Å; Y206-T215 PolarHBondContact N-O 3.35Å; Y206-T215 PolarHBondContact O-N 2.92Å; Y206-T215 WeakPolarHBondContact OH-CG2 3.32Å
216	Q	93.7	Very high	85	Confident	73 Å²	73	71.8 Å²	71.8	34%	0.341	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	140.8	-179	-55.3	-173.3	-2.1	0	0	110.2	G128 F203 L204 Q205	G128-Q216 PolarHBondContact N-O 2.78Å; F203-Q216 HydrophobicContact CE2-CB 3.87Å; F203-Q216 HydrophobicContact CE2-CG 4.33Å; F203-Q216 HydrophobicContact CZ-CB 3.93Å; F203-Q216 HydrophobicContact CZ-CG 3.9Å; L204-Q216 WeakPolarHBondContact O-CA 3.46Å; Q205-Q216 HydrophobicContact CG-CG 4.33Å
217	L	94.9	Very high	83.6	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	131.2	176.5	-170.4	72.5	0	0	0	109.5	V125 T126 F127 L149 I157 F203 L204 Y206 L219	V125-L217 HydrophobicContact CG1-CD1 3.3Å; V125-L217 HydrophobicContact CG1-CD2 4.4Å; V125-L217 HydrophobicContact CG1-CG 4.02Å; T126-L217 WeakPolarHBondContact O-CA 3.48Å; F127-L217 HydrophobicContact CD1-CD1 3.31Å; F127-L217 HydrophobicContact CD2-CD1 4.36Å; F127-L217 HydrophobicContact CE1-CD1 3.28Å; F127-L217 HydrophobicContact CE2-CD1 4.34Å; F127-L217 HydrophobicContact CG-CD1 3.88Å; F127-L217 HydrophobicContact CZ-CD1 3.83Å; L149-L217 HydrophobicContact CD1-CD1 4.25Å; L149-L217 HydrophobicContact CD1-CD2 3.66Å; L149-L217 HydrophobicContact CD2-CD2 4.23Å; I157-L217 HydrophobicContact CD1-CD2 3.92Å; F203-L217 WeakPolarHBondContact CA-O 3.32Å; L204-L217 HydrophobicContact CB-CB 4.26Å; L204-L217 HydrophobicContact CD1-CD2 4.18Å; L204-L217 PolarHBondContact N-O 3.46Å; L204-L217 PolarHBondContact O-N 2.96Å; Y206-L217 HydrophobicContact CE1-CB 4.23Å; L217-L219 HydrophobicContact CD2-CD2 3.86Å; L217-L219 HydrophobicContact CG-CD2 4.19Å
218	K	95.6	Very high	82.9	Confident	96 Å²	96	75.4 Å²	75.4	42%	0.417	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.7	170.7	-172.7	179.4	176.8	-179.2	0	109.8	V125 T126 L168 M202	V125-K218 CarbonylContact C-O 3.59Å; V125-K218 WeakPolarHBondContact CA-O 3.32Å; T126-K218 PolarHBondContact N-O 2.86Å; T126-K218 PolarHBondContact O-N 2.99Å; L168-K218 HydrophobicContact CD1-CD 4.43Å; L168-K218 HydrophobicContact CD1-CG 4.25Å; M202-K218 CarbonylContact O-C 3.53Å; M202-K218 WeakPolarHBondContact O-CA 3.26Å
219	L	95.6	Very high	82.6	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.3	170.5	-51.8	179.7	0	0	0	108	F123 L124 V125 G201 M202 L204 L217 W235 L236	F123-L219 HydrophobicContact CB-CB 4.27Å; F123-L219 HydrophobicContact CD1-CB 4.19Å; F123-L219 HydrophobicContact CG-CB 4.17Å; L124-L219 CarbonylContact O-C 3.54Å; V125-L219 HydrophobicContact CB-CD2 4.45Å; V125-L219 HydrophobicContact CG1-CD2 4.17Å; V125-L219 HydrophobicContact CG2-CD2 3.71Å; G201-L219 CarbonylContact C-O 3.56Å; G201-L219 WeakPolarHBondContact CA-O 3.14Å; M202-L219 HydrophobicContact CB-CB 4.37Å; M202-L219 HydrophobicContact CB-CD1 4.47Å; M202-L219 PolarHBondContact N-O 3.25Å; M202-L219 PolarHBondContact O-N 2.94Å; L204-L219 HydrophobicContact CD1-CD1 4.46Å; L217-L219 HydrophobicContact CD2-CD2 3.86Å; L217-L219 HydrophobicContact CG-CD2 4.19Å; L219-W235 HydrophobicContact CD1-CH2 4.29Å; L219-W235 HydrophobicContact CD1-CZ3 3.8Å; L219-L236 HydrophobicContact CB-CD2 4.44Å
220	T	93.8	Very high	82.7	Confident	45 Å²	45	80.5 Å²	80.5	28%	0.276	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	129.4	175.6	-49.1	0	0	0	0	108.7	F123 L124 V222	F123-T220 CarbonylContact C-O 3.58Å; F123-T220 WeakPolarHBondContact CA-O 3.42Å; L124-T220 PolarHBondContact N-O 3.3Å; L124-T220 PolarHBondContact O-N 3.42Å; T220-V222 PolarHBondContact O-N 2.92Å
221	A	91.4	Very high	83	Confident	11 Å²	11	80.1 Å²	80.1	9%	0.091	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	129.8	178.6	0	0	0	0	0	109.9	T200 A232	T200-A221 WeakPolarHBondContact O-CB 3.44Å; T200-A221 PolarHBondContact O-N 2.95Å; A221-A232 HydrophobicContact CB-CB 3.95Å
222	V	82.8	Confident	83.4	Confident	31 Å²	31	76.5 Å²	76.5	19%	0.188	41%	0.413	C	S	.	.			trans	-67.5	139	176.2	-166.9	0	0	0	0	109	T122 L124 T220 D224	T122-V222 HydrophobicContact CG2-CG2 4.04Å; L124-V222 HydrophobicContact CG-CG2 4.28Å; T220-V222 PolarHBondContact O-N 2.92Å; V222-D224 HydrophobicContact CG1-CB 4.09Å; V222-D224 PolarHBondContact O-N 3.25Å
223	E	70.9	Confident	84	Confident	149 Å²	149	68.6 Å²	68.6	70%	0.696	38%	0.378	S	S	*	.			trans	-80.4	12.8	179.5	-59.3	-145.9	117.9	0	0	114.3	R229	E223-R229 IonicContact OE1-CZ 3.95Å; E223-R229 IonicContact OE1-NH1 2.88Å; E223-R229 PolarHBondContact OE1-NH1 3.5Å
224	D	63	Low	84.4	Confident	124 Å²	124	68.3 Å²	68.3	66%	0.663	37%	0.371	S	S	*	.			trans	-75.9	156	-179.7	-99	-37.7	0	0	0	113.1	V222	V222-D224 HydrophobicContact CG1-CB 4.09Å; V222-D224 PolarHBondContact O-N 3.25Å
225	A	58.8	Low	84.6	Confident	77 Å²	77	64.5 Å²	64.5	64%	0.636	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	0.6	119.1	179.2	0	0	0	0	0	115.5	V227 G228	A225-V227 CarbonylContact O-C 3.45Å; A225-V227 PolarHBondContact O-N 3.44Å; A225-G228 PolarHBondContact O-N 2.84Å
226	N	62.8	Low	84.8	Confident	127 Å²	127	62.4 Å²	62.4	68%	0.679	34%	0.336	S	S	*	.	H	α-helix	trans	-26.4	-33.9	-174.9	-95.7	-32.7	0	0	0	118.9	R230	N226-R230 WeakPolarHBondContact O-CG 3.31Å; N226-R230 PolarHBondContact O-N 2.9Å
227	V	63.1	Low	84.8	Confident	117 Å²	117	61.4 Å²	61.4	71%	0.709	33%	0.334	S	S	*	.	H	α-helix	trans	-68.7	-45.2	177.2	-176.3	0	0	0	0	112.5	A225 R230 Q231	A225-V227 CarbonylContact O-C 3.45Å; A225-V227 PolarHBondContact O-N 3.44Å; V227-R230 PolarHBondContact O-N 3.27Å; V227-Q231 PolarHBondContact O-N 2.97Å
228	G	78.3	Confident	84.8	Confident	40 Å²	40	61.4 Å²	61.4	41%	0.412	33%	0.334	S	S	.	.	H	α-helix	trans	-64.6	-43.7	-178.6	0	0	0	0	0	112.2	A225 R230 Q231 A232	A225-G228 PolarHBondContact O-N 2.84Å; G228-R230 PolarHBondContact O-N 2.97Å; G228-Q231 PolarHBondContact O-N 2.85Å; G228-A232 WeakPolarHBondContact O-CB 3.37Å; G228-A232 PolarHBondContact O-N 3.37Å
229	R	83.9	Confident	84.8	Confident	71 Å²	71	57 Å²	57	27%	0.268	32%	0.315	S	S	.	.	H	α-helix	trans	-59.4	-42.7	175.7	-170.5	173.8	-178.7	132.6	1	112.6	E223 Q231 A232 V233	E223-R229 IonicContact OE1-CZ 3.95Å; E223-R229 IonicContact OE1-NH1 2.88Å; E223-R229 PolarHBondContact OE1-NH1 3.5Å; R229-Q231 PolarHBondContact O-N 3.37Å; R229-A232 PolarHBondContact O-N 2.86Å; R229-V233 HydrophobicContact CG-CG2 4.44Å; R229-V233 WeakPolarHBondContact O-CB 3.35Å; R229-V233 WeakPolarHBondContact O-CG2 3.31Å; R229-V233 PolarHBondContact O-N 3.05Å
230	R	88.2	Confident	84.7	Confident	187 Å²	187	58.7 Å²	58.7	71%	0.706	32%	0.323	S	S	*	.	H	α-helix	trans	-63.4	-41.7	178.4	-74.5	178.4	-171.8	-177.5	3.2	112.1	N226 V227 G228 A234	N226-R230 WeakPolarHBondContact O-CG 3.31Å; N226-R230 PolarHBondContact O-N 2.9Å; V227-R230 PolarHBondContact O-N 3.27Å; G228-R230 PolarHBondContact O-N 2.97Å; R230-A234 WeakPolarHBondContact O-CB 3.31Å; R230-A234 PolarHBondContact O-N 3.4Å
231	Q	91.3	Very high	84.6	Confident	82 Å²	82	60.8 Å²	60.8	38%	0.383	33%	0.328	S	S	.	.	H	α-helix	trans	-66.5	-43.8	177.7	-173	167	18.8	0	0	111.5	S119 G120 A121 V227 G228 R229 A234 W235	S119-Q231 PolarHBondContact OG-NE2 3.37Å; G120-Q231 PolarHBondContact O-NE2 3.46Å; A121-Q231 HydrophobicContact CB-CG 4.21Å; V227-Q231 PolarHBondContact O-N 2.97Å; G228-Q231 PolarHBondContact O-N 2.85Å; R229-Q231 PolarHBondContact O-N 3.37Å; Q231-A234 PolarHBondContact O-N 3.28Å; Q231-W235 WeakPolarHBondContact O-CB 3.4Å; Q231-W235 PolarHBondContact O-N 3.06Å
232	A	93.5	Very high	84.7	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.008	32%	0.324	C	S	.	.	H	α-helix	trans	-58.7	-48.8	174.9	0	0	0	0	0	111.9	A121 F123 A221 G228 R229 A234 W235 L236	A121-A232 HydrophobicContact CB-CB 4.36Å; F123-A232 HydrophobicContact CD1-CB 4.37Å; F123-A232 HydrophobicContact CE1-CB 3.68Å; F123-A232 HydrophobicContact CZ-CB 4.03Å; A221-A232 HydrophobicContact CB-CB 3.95Å; G228-A232 WeakPolarHBondContact O-CB 3.37Å; G228-A232 PolarHBondContact O-N 3.37Å; R229-A232 PolarHBondContact O-N 2.86Å; A232-A234 PolarHBondContact O-N 3.44Å; A232-W235 WeakPolarHBondContact O-CB 3.28Å; A232-W235 PolarHBondContact O-N 2.85Å; A232-W235 VanDerWaalsContact O-N 3.16Å; A232-L236 VanDerWaalsContact O-CG 3.3Å; A232-L236 WeakPolarHBondContact O-CG 3.34Å; A232-L236 PolarHBondContact O-N 3.38Å
233	V	92.8	Very high	85.1	Confident	41 Å²	41	59.8 Å²	59.8	25%	0.248	32%	0.323	C	S	.	.	H	α-helix	trans	-59.1	-46.2	176.6	172.1	0	0	0	0	111.6	A199 R229 W235 L236 V237	A199-V233 HydrophobicContact CB-CG1 4.35Å; A199-V233 WeakPolarHBondContact O-CG2 3.17Å; R229-V233 HydrophobicContact CG-CG2 4.44Å; R229-V233 WeakPolarHBondContact O-CB 3.35Å; R229-V233 WeakPolarHBondContact O-CG2 3.31Å; R229-V233 PolarHBondContact O-N 3.05Å; V233-W235 VanDerWaalsContact C-N 3.28Å; V233-W235 PolarHBondContact O-N 3.2Å; V233-L236 PolarHBondContact O-N 2.94Å; V233-V237 WeakPolarHBondContact O-CG2 3Å; V233-V237 PolarHBondContact O-N 3.04Å; V233-V237 VanDerWaalsContact O-N 3.08Å
234	A	93.6	Very high	85.8	Confident	39 Å²	39	57.2 Å²	57.2	32%	0.322	31%	0.31	S	S	.	.	H	α-helix	trans	-61	-39.8	177.2	0	0	0	0	0	111.7	V116 R230 Q231 A232 A238	V116-A234 HydrophobicContact CG1-CB 4.13Å; R230-A234 WeakPolarHBondContact O-CB 3.31Å; R230-A234 PolarHBondContact O-N 3.4Å; Q231-A234 PolarHBondContact O-N 3.28Å; A232-A234 PolarHBondContact O-N 3.44Å; A234-A238 VanDerWaalsContact O-CB 3.24Å; A234-A238 WeakPolarHBondContact O-CB 3.02Å; A234-A238 PolarHBondContact O-N 3.48Å
235	W	96.2	Very high	86.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66.2	-44.5	177.7	-167.8	104.7	0	0	0	112	V116 L117 A121 F123 C138 L147 L219 Q231 A232 V233 V237 A238 M239	V116-W235 HydrophobicContact CG1-CB 4.04Å; L117-W235 HydrophobicContact CD2-CD2 4.1Å; L117-W235 HydrophobicContact CD2-CG 4.38Å; L117-W235 HydrophobicContact CD2-CZ2 4.09Å; L117-W235 PolarHBondContact O-NE1 3.23Å; A121-W235 HydrophobicContact CB-CB 3.78Å; A121-W235 HydrophobicContact CB-CG 3.97Å; F123-W235 AromaticContact CE2-CD2 3.91Å; F123-W235 HydrophobicContact CE2-CD2 3.91Å; F123-W235 AromaticContact CE2-CE3 3.67Å; F123-W235 HydrophobicContact CE2-CE3 3.67Å; F123-W235 HydrophobicContact CE2-CG 4.29Å; F123-W235 HydrophobicContact CE2-CZ3 4.22Å; F123-W235 HydrophobicContact CZ-CB 4.14Å; F123-W235 HydrophobicContact CZ-CD2 4.08Å; F123-W235 AromaticContact CZ-CE3 3.64Å; F123-W235 HydrophobicContact CZ-CE3 3.64Å; F123-W235 HydrophobicContact CZ-CG 4.29Å; F123-W235 HydrophobicContact CZ-CZ3 4.43Å; C138-W235 HydrophobicContact CB-CH2 4.27Å; C138-W235 HydrophobicContact CB-CZ2 4.2Å; C138-W235 PolarHBondContact O-NE1 3.3Å; L147-W235 HydrophobicContact CD1-CH2 3.64Å; L147-W235 HydrophobicContact CD1-CZ2 3.67Å; L219-W235 HydrophobicContact CD1-CH2 4.29Å; L219-W235 HydrophobicContact CD1-CZ3 3.8Å; Q231-W235 WeakPolarHBondContact O-CB 3.4Å; Q231-W235 PolarHBondContact O-N 3.06Å; A232-W235 WeakPolarHBondContact O-CB 3.28Å; A232-W235 PolarHBondContact O-N 2.85Å; A232-W235 VanDerWaalsContact O-N 3.16Å; V233-W235 VanDerWaalsContact C-N 3.28Å; V233-W235 PolarHBondContact O-N 3.2Å; W235-V237 PolarHBondContact O-N 2.68Å; W235-A238 PolarHBondContact O-N 2.8Å; W235-M239 HydrophobicContact CE3-CB 4.04Å; W235-M239 HydrophobicContact CH2-CB 4.09Å; W235-M239 HydrophobicContact CH2-CG 3.89Å; W235-M239 HydrophobicContact CH2-SD 4.22Å; W235-M239 HydrophobicContact CZ3-CB 3.72Å; W235-M239 HydrophobicContact CZ3-CG 3.88Å; W235-M239 WeakPolarHBondContact O-CB 3.5Å; W235-M239 PolarHBondContact O-N 3.15Å
236	L	95.8	Very high	88.2	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.6	-46.6	176	-66.2	169.9	0	0	0	111.3	F123 L167 A199 M202 L219 A232 V233 M239 H240	F123-L236 HydrophobicContact CD1-CD2 4.37Å; F123-L236 HydrophobicContact CE1-CD1 3.98Å; F123-L236 HydrophobicContact CE1-CD2 3.59Å; F123-L236 HydrophobicContact CE1-CG 3.62Å; F123-L236 HydrophobicContact CZ-CD2 3.92Å; F123-L236 HydrophobicContact CZ-CG 3.93Å; L167-L236 HydrophobicContact CD1-CB 3.76Å; A199-L236 HydrophobicContact CB-CB 4.34Å; A199-L236 HydrophobicContact CB-CD1 4.23Å; M202-L236 HydrophobicContact CB-CD2 3.46Å; M202-L236 VanDerWaalsContact CB-CD2 3.46Å; M202-L236 HydrophobicContact CE-CB 4.38Å; M202-L236 HydrophobicContact CE-CD2 4.34Å; M202-L236 WeakPolarHBondContact CE-O 3.42Å; L219-L236 HydrophobicContact CB-CD2 4.44Å; A232-L236 VanDerWaalsContact O-CG 3.3Å; A232-L236 WeakPolarHBondContact O-CG 3.34Å; A232-L236 PolarHBondContact O-N 3.38Å; V233-L236 PolarHBondContact O-N 2.94Å; L236-M239 PolarHBondContact O-N 3.48Å; L236-H240 PolarHBondContact O-N 3.16Å
237	V	93.9	Very high	89.1	Confident	51 Å²	51	47.2 Å²	47.2	31%	0.309	24%	0.24	S	C	.	.	H	α-helix	trans	-64.9	-41.9	177.1	173.8	0	0	0	0	111.2	A199 V233 W235 M239 H240 K241	A199-V237 HydrophobicContact CB-CG2 4.37Å; V233-V237 WeakPolarHBondContact O-CG2 3Å; V233-V237 PolarHBondContact O-N 3.04Å; V233-V237 VanDerWaalsContact O-N 3.08Å; W235-V237 PolarHBondContact O-N 2.68Å; V237-M239 VanDerWaalsContact C-N 3.34Å; V237-M239 PolarHBondContact O-N 2.55Å; V237-H240 PolarHBondContact O-N 3.11Å; V237-K241 HydrophobicContact CG1-CD 4.47Å; V237-K241 WeakPolarHBondContact O-CG 3.39Å; V237-K241 PolarHBondContact O-N 2.91Å
238	A	95.3	Very high	89.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-41.9	177.3	0	0	0	0	0	111.7	Q113 V116 L117 A234 W235 K241 A242	Q113-A238 HydrophobicContact CB-CB 3.94Å; V116-A238 HydrophobicContact CB-CB 4.48Å; V116-A238 HydrophobicContact CG1-CB 4.44Å; L117-A238 HydrophobicContact CD1-CB 4.21Å; L117-A238 HydrophobicContact CD2-CB 3.95Å; L117-A238 HydrophobicContact CG-CB 3.79Å; A234-A238 VanDerWaalsContact O-CB 3.24Å; A234-A238 WeakPolarHBondContact O-CB 3.02Å; A234-A238 PolarHBondContact O-N 3.48Å; W235-A238 PolarHBondContact O-N 2.8Å; A238-K241 PolarHBondContact O-N 2.82Å; A238-A242 WeakPolarHBondContact O-CB 3.49Å; A238-A242 PolarHBondContact O-N 3.25Å
239	M	95.9	Very high	89.3	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.015	22%	0.215	C	C	.	.	H	α-helix	trans	-69.4	-38.3	-179.5	-171.9	61.3	-174.7	0	0	111.1	L117 L140 I159 I162 M202 W235 L236 V237 K241 A242 A243	L117-M239 HydrophobicContact CD2-CB 3.78Å; L117-M239 HydrophobicContact CD2-CG 4.49Å; L117-M239 HydrophobicContact CD2-SD 4.03Å; L140-M239 HydrophobicContact CD2-CE 4.44Å; L140-M239 HydrophobicContact CD2-SD 4.24Å; I159-M239 HydrophobicContact CD1-CE 4.42Å; I162-M239 HydrophobicContact CD1-CE 4.25Å; M202-M239 HydrophobicContact CE-CB 3.96Å; M202-M239 HydrophobicContact CE-CG 4.29Å; M202-M239 HydrophobicContact SD-CB 4.02Å; M202-M239 HydrophobicContact SD-CG 3.75Å; W235-M239 HydrophobicContact CE3-CB 4.04Å; W235-M239 HydrophobicContact CH2-CB 4.09Å; W235-M239 HydrophobicContact CH2-CG 3.89Å; W235-M239 HydrophobicContact CH2-SD 4.22Å; W235-M239 HydrophobicContact CZ3-CB 3.72Å; W235-M239 HydrophobicContact CZ3-CG 3.88Å; W235-M239 WeakPolarHBondContact O-CB 3.5Å; W235-M239 PolarHBondContact O-N 3.15Å; L236-M239 PolarHBondContact O-N 3.48Å; V237-M239 VanDerWaalsContact C-N 3.34Å; V237-M239 PolarHBondContact O-N 2.55Å; M239-K241 PolarHBondContact O-N 2.8Å; M239-A242 WeakPolarHBondContact O-CB 3.23Å; M239-A242 PolarHBondContact O-N 3.29Å; M239-A242 HydrophobicContact SD-CB 4.43Å; M239-A243 PolarHBondContact O-N 3.3Å
240	H	93	Very high	88.6	Confident	37 Å²	37	50.4 Å²	50.4	17%	0.171	23%	0.234	C	C	.	.	H	α-helix	trans	-63.5	-40.3	172.8	-177.1	59.4	0	0	0	112	M202 L236 V237 A243 K244	M202-H240 HydrophobicContact CE-CB 4.08Å; L236-H240 PolarHBondContact O-N 3.16Å; V237-H240 PolarHBondContact O-N 3.11Å; H240-A243 PolarHBondContact O-N 3.17Å; H240-K244 WeakPolarHBondContact NE2-CE 3.28Å; H240-K244 PolarHBondContact NE2-NZ 2.75Å; H240-K244 PolarHBondContact O-N 3.3Å
241	K	92.1	Very high	87.1	Confident	88 Å²	88	46.5 Å²	46.5	38%	0.383	23%	0.227	S	C	.	.	H	α-helix	trans	-64.5	-38.2	172.4	-72.2	179.3	178.6	-173.9	0	112.3	F109 Q113 V237 A238 M239 K244 L245	F109-K241 HydrophobicContact CD2-CB 4.32Å; Q113-K241 HydrophobicContact CG-CD 4.13Å; V237-K241 HydrophobicContact CG1-CD 4.47Å; V237-K241 WeakPolarHBondContact O-CG 3.39Å; V237-K241 PolarHBondContact O-N 2.91Å; A238-K241 PolarHBondContact O-N 2.82Å; M239-K241 PolarHBondContact O-N 2.8Å; K241-K244 PolarHBondContact O-N 3.3Å; K241-L245 PolarHBondContact O-N 3.34Å
242	A	92.9	Very high	85.3	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-61.7	-45.3	175.7	0	0	0	0	0	111.3	F34 F109 L117 A238 M239 K244 L245 L246	F34-A242 HydrophobicContact CE1-CB 3.79Å; F34-A242 WeakPolarHBondContact CE1-O 3.17Å; F34-A242 HydrophobicContact CZ-CB 3.89Å; F109-A242 HydrophobicContact CE2-CB 3.65Å; F109-A242 HydrophobicContact CZ-CB 3.67Å; L117-A242 HydrophobicContact CD1-CB 3.91Å; A238-A242 WeakPolarHBondContact O-CB 3.49Å; A238-A242 PolarHBondContact O-N 3.25Å; M239-A242 WeakPolarHBondContact O-CB 3.23Å; M239-A242 PolarHBondContact O-N 3.29Å; M239-A242 HydrophobicContact SD-CB 4.43Å; A242-K244 VanDerWaalsContact C-N 3.28Å; A242-K244 PolarHBondContact O-N 2.75Å; A242-L245 PolarHBondContact O-N 2.99Å; A242-L245 VanDerWaalsContact O-N 3.16Å; A242-L246 WeakPolarHBondContact O-CG 3.11Å; A242-L246 PolarHBondContact O-N 2.74Å
243	A	91.2	Very high	84.9	Confident	21 Å²	21	52.9 Å²	52.9	17%	0.174	26%	0.257	C	S	.	.	H	α-helix	trans	-57.5	-40.3	176.7	0	0	0	0	0	112.4	V165 M239 H240 L246 Y247	V165-A243 HydrophobicContact CB-CB 3.76Å; V165-A243 HydrophobicContact CG1-CB 3.99Å; V165-A243 HydrophobicContact CG2-CB 3.67Å; M239-A243 PolarHBondContact O-N 3.3Å; H240-A243 PolarHBondContact O-N 3.17Å; A243-L246 PolarHBondContact O-N 3.21Å; A243-Y247 PolarHBondContact O-N 2.84Å
244	K	86.3	Confident	84.4	Confident	95 Å²	95	53.5 Å²	53.5	41%	0.413	26%	0.258	S	S	.	.	H	α-helix	trans	-61.5	-46.6	174.9	-68.5	-177.6	-178.5	179	0	112.4	H240 K241 A242 L246 Y247 E248	H240-K244 WeakPolarHBondContact NE2-CE 3.28Å; H240-K244 PolarHBondContact NE2-NZ 2.75Å; H240-K244 PolarHBondContact O-N 3.3Å; K241-K244 PolarHBondContact O-N 3.3Å; A242-K244 VanDerWaalsContact C-N 3.28Å; A242-K244 PolarHBondContact O-N 2.75Å; K244-L246 VanDerWaalsContact C-N 3.29Å; K244-L246 PolarHBondContact O-N 2.96Å; K244-Y247 PolarHBondContact O-N 3.04Å; K244-E248 WeakPolarHBondContact O-CG 3.3Å; K244-E248 PolarHBondContact O-N 3.11Å
245	L	86.2	Confident	83.9	Confident	17 Å²	17	54.3 Å²	54.3	9%	0.089	25%	0.254	C	S	.	.	H	α-helix	trans	-62.7	-35.4	178	-79.2	171.3	0	0	0	113.2	F34 R86 E106 F109 K241 A242 S249	F34-L245 HydrophobicContact CD1-CB 4.3Å; R86-L245 PolarHBondContact NH2-O 2.66Å; E106-L245 HydrophobicContact CG-CD2 4.14Å; F109-L245 HydrophobicContact CB-CD1 3.7Å; F109-L245 HydrophobicContact CD1-CD1 3.31Å; F109-L245 HydrophobicContact CD2-CD1 3.58Å; F109-L245 HydrophobicContact CE1-CD1 3.76Å; F109-L245 HydrophobicContact CE2-CD1 4.01Å; F109-L245 HydrophobicContact CG-CD1 3.22Å; F109-L245 HydrophobicContact CZ-CD1 4.08Å; K241-L245 PolarHBondContact O-N 3.34Å; A242-L245 PolarHBondContact O-N 2.99Å; A242-L245 VanDerWaalsContact O-N 3.16Å; L245-S249 PolarHBondContact O-N 2.84Å; L245-S249 VanDerWaalsContact O-N 3.13Å
246	L	85.8	Confident	83.2	Confident	27 Å²	27	57.5 Å²	57.5	14%	0.141	27%	0.269	C	S	.	.	H	α-helix	trans	-66.8	-42.9	175.4	-71.1	166	0	0	0	111.4	P33 F34 I159 A242 A243 K244 S249 R250	P33-L246 HydrophobicContact CB-CD2 3.77Å; P33-L246 HydrophobicContact CG-CD2 4.01Å; P33-L246 WeakPolarHBondContact O-CD2 3.33Å; F34-L246 HydrophobicContact CD1-CD2 3.69Å; F34-L246 HydrophobicContact CD1-CG 3.81Å; F34-L246 HydrophobicContact CD2-CD2 4.28Å; F34-L246 HydrophobicContact CE1-CD1 3.81Å; F34-L246 HydrophobicContact CE1-CD2 3.69Å; F34-L246 HydrophobicContact CE1-CG 3.41Å; F34-L246 VanDerWaalsContact CE1-CG 3.41Å; F34-L246 HydrophobicContact CE2-CD2 4.23Å; F34-L246 HydrophobicContact CG-CD2 4.01Å; F34-L246 HydrophobicContact CZ-CD1 3.77Å; F34-L246 HydrophobicContact CZ-CD2 3.96Å; F34-L246 HydrophobicContact CZ-CG 3.85Å; I159-L246 HydrophobicContact CG2-CD1 3.31Å; I159-L246 HydrophobicContact CG2-CD2 4.22Å; I159-L246 HydrophobicContact CG2-CG 4.41Å; A242-L246 WeakPolarHBondContact O-CG 3.11Å; A242-L246 PolarHBondContact O-N 2.74Å; A243-L246 PolarHBondContact O-N 3.21Å; K244-L246 VanDerWaalsContact C-N 3.29Å; K244-L246 PolarHBondContact O-N 2.96Å; L246-S249 WeakPolarHBondContact O-CB 3.24Å; L246-S249 PolarHBondContact O-N 2.98Å; L246-R250 WeakPolarHBondContact O-CG 3.47Å; L246-R250 PolarHBondContact O-N 2.77Å
247	Y	81.1	Confident	82.4	Confident	74 Å²	74	61.1 Å²	61.1	29%	0.29	29%	0.286	S	S	.	.	H	α-helix	trans	-62	-49.7	176.7	-177	-91.4	0	0	0	111.4	L185 A243 K244 S249 R250 D251	L185-Y247 HydrophobicContact CB-CE1 4.22Å; L185-Y247 HydrophobicContact CB-CE2 4.4Å; L185-Y247 WeakPolarHBondContact CB-OH 3.26Å; L185-Y247 HydrophobicContact CD1-CD2 4.39Å; L185-Y247 HydrophobicContact CD1-CE2 3.39Å; L185-Y247 WeakPolarHBondContact CD1-OH 3.37Å; L185-Y247 HydrophobicContact CD2-CD1 3.82Å; L185-Y247 HydrophobicContact CD2-CD2 3.55Å; L185-Y247 HydrophobicContact CD2-CE1 3.5Å; L185-Y247 HydrophobicContact CD2-CE2 3.19Å; L185-Y247 HydrophobicContact CD2-CG 3.87Å; L185-Y247 HydrophobicContact CG-CE1 4.28Å; L185-Y247 HydrophobicContact CG-CE2 3.75Å; A243-Y247 PolarHBondContact O-N 2.84Å; K244-Y247 PolarHBondContact O-N 3.04Å; Y247-S249 PolarHBondContact O-N 3.23Å; Y247-S249 VanDerWaalsContact O-N 3.09Å; Y247-R250 PolarHBondContact O-N 2.89Å; Y247-D251 WeakPolarHBondContact CE1-OD2 3.5Å; Y247-D251 PolarHBondContact O-N 3.36Å; Y247-D251 PolarHBondContact OH-OD1 3.48Å; Y247-D251 PolarHBondContact OH-OD2 3.27Å
248	E	75.1	Confident	81.7	Confident	97 Å²	97	61.7 Å²	61.7	45%	0.453	28%	0.284	S	S	.	.	H	α-helix	trans	-59.4	-23.4	175.6	-69.7	173.6	-178.4	0	0	113.5	K244 Q252	K244-E248 WeakPolarHBondContact O-CG 3.3Å; K244-E248 PolarHBondContact O-N 3.11Å; E248-Q252 PolarHBondContact O-NE2 2.93Å
249	S	70.5	Confident	80.7	Confident	18 Å²	18	66.1 Å²	66.1	13%	0.126	31%	0.305	C	S	.	.	H	α-helix	trans	-74.7	-30.4	174.7	-151.6	0	0	0	0	113.7	L36 R86 L245 L246 Y247	L36-S249 VanDerWaalsContact CD2-OG 3.24Å; L36-S249 WeakPolarHBondContact CD2-OG 3.35Å; R86-S249 PolarHBondContact NH2-OG 3.2Å; L245-S249 PolarHBondContact O-N 2.84Å; L245-S249 VanDerWaalsContact O-N 3.13Å; L246-S249 WeakPolarHBondContact O-CB 3.24Å; L246-S249 PolarHBondContact O-N 2.98Å; Y247-S249 PolarHBondContact O-N 3.23Å; Y247-S249 VanDerWaalsContact O-N 3.09Å
250	R	69	Low	79.5	Confident	179 Å²	179	71 Å²	71	68%	0.675	33%	0.327	S	S	*	.	H	α-helix	trans	-82.7	-24.6	-174.1	-69	171.2	71.2	173.1	3.4	111.9	L246 Y247	L246-R250 WeakPolarHBondContact O-CG 3.47Å; L246-R250 PolarHBondContact O-N 2.77Å; Y247-R250 PolarHBondContact O-N 2.89Å
251	D	58.2	Low	78.4	Confident	105 Å²	105	73.8 Å²	73.8	56%	0.561	34%	0.34	S	S	*	.			trans	-88.4	1.2	-179.8	-75.7	2.3	0	0	0	113.7	Y247	Y247-D251 WeakPolarHBondContact CE1-OD2 3.5Å; Y247-D251 PolarHBondContact O-N 3.36Å; Y247-D251 PolarHBondContact OH-OD1 3.48Å; Y247-D251 PolarHBondContact OH-OD2 3.27Å
252	Q	52.3	Low	77.1	Confident	164 Å²	164	72.5 Å²	72.5	77%	0.766	34%	0.336	S	S	*	.			trans	-102.9	0	177.2	-73.5	175.7	26.7	0	0	111.7	E248	E248-Q252 PolarHBondContact O-NE2 2.93Å

Retrieved 252 of 252 residues in 95.8 ms (Link to these results)

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