A0A077Z3S3_TRITR Loading...

Galactose-1-phosphate uridylyltransferase

AlphaFold DB , UniProt , Accession A0A077Z3S3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 344 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	51	Low	77.3	Confident	177 Å²	177	85.8 Å²	85.8	87%	0.872	47%	0.473	S	S	*	.				0	96.8	0	-160.9	-177	-74.8	0	0	106.5
2	N	54.6	Low	79.1	Confident	74 Å²	74	79.2 Å²	79.2	40%	0.396	44%	0.436	S	S	.	.			trans	-83.8	118.6	176.5	-84.1	-9.7	0	0	0	107	P4 E333	N2-P4 WeakPolarHBondContact O-CD 3.3Å; N2-E333 PolarHBondContact OD1-OE2 3.37Å
3	L	60.5	Low	80.5	Confident	104 Å²	104	75.2 Å²	75.2	55%	0.545	42%	0.416	S	S	.	.			trans	-81.3	100.5	162.4	-69.5	169.5	0	0	0	105.9	G5 H8	L3-G5 PolarHBondContact O-N 3.04Å; L3-H8 HydrophobicContact CD1-CB 3.89Å
4	P	56.6	Low	81.8	Confident	118 Å²	118	70.1 Å²	70.1	77%	0.766	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	129.9	-170.8	-14.1	30.3	0	0	0	109.8	N2 N6	N2-P4 WeakPolarHBondContact O-CD 3.3Å; P4-N6 VanDerWaalsContact C-N 3.34Å; P4-N6 PolarHBondContact O-N 3.4Å
5	G	66.2	Low	82.9	Confident	51 Å²	51	69.5 Å²	69.5	53%	0.526	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	4.9	161.2	0	0	0	0	0	117.8	L3 Q24	L3-G5 PolarHBondContact O-N 3.04Å; G5-Q24 PolarHBondContact O-NE2 3.26Å
6	N	82.9	Confident	83.8	Confident	115 Å²	115	71.3 Å²	71.3	62%	0.615	39%	0.389	S	S	*	.	S	Bend	trans	-121.7	147.7	175.5	-76.3	-27.1	0	0	0	112.2	P4 H8	P4-N6 VanDerWaalsContact C-N 3.34Å; P4-N6 PolarHBondContact O-N 3.4Å; N6-H8 PolarHBondContact O-N 3.28Å; N6-H8 PolarHBondContact O-ND1 3.41Å
7	A	91.1	Very high	84.6	Confident	65 Å²	65	72.7 Å²	72.7	54%	0.537	39%	0.392	S	S	.	.			trans	-62.7	134.4	171.8	0	0	0	0	0	109.8	V21 A22	A7-V21 VanDerWaalsContact CA-O 3.29Å; A7-V21 WeakPolarHBondContact CA-O 3.35Å; A7-A22 HydrophobicContact CB-CB 4.21Å
8	H	95.1	Very high	85.4	Confident	28 Å²	28	74.7 Å²	74.7	13%	0.13	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	168.9	-179	59.5	-81.5	0	0	0	110.4	L3 N6 R10 V21	L3-H8 HydrophobicContact CD1-CB 3.89Å; N6-H8 PolarHBondContact O-N 3.28Å; N6-H8 PolarHBondContact O-ND1 3.41Å; H8-R10 PolarHBondContact NE2-NE 3.41Å; H8-R10 VanDerWaalsContact NE2-NE 3.1Å; H8-V21 PolarHBondContact N-O 3.29Å; H8-V21 PolarHBondContact O-N 2.97Å
9	R	96.3	Very high	86	Confident	123 Å²	123	70.9 Å²	70.9	46%	0.464	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	142	176	-64.7	169.8	69.8	-141.8	11.7	110.3	W18 V19 I20 E325	R9-W18 HydrophobicContact CB-CD2 4.48Å; R9-W18 HydrophobicContact CB-CE3 3.64Å; R9-W18 HydrophobicContact CB-CZ3 4.21Å; R9-W18 VanDerWaalsContact CZ-CG 3.47Å; R9-V19 CarbonylContact C-O 3.53Å; R9-V19 VanDerWaalsContact CA-O 3.31Å; R9-V19 WeakPolarHBondContact CA-O 3.49Å; R9-I20 HydrophobicContact CG-CG1 4.29Å; R9-E325 IonicContact CZ-OE1 2.76Å; R9-E325 IonicContact CZ-OE2 3.34Å; R9-E325 IonicContact NE-OE1 3.23Å; R9-E325 PolarHBondContact NE-OE1 3.39Å; R9-E325 IonicContact NE-OE2 2.77Å; R9-E325 PolarHBondContact NE-OE2 2.9Å; R9-E325 IonicContact NH2-OE1 3.84Å; R9-E325 IonicContact NH2-OE2 2.72Å; R9-E325 PolarHBondContact NH2-OE2 3.22Å
10	R	97.4	Very high	86.6	Confident	5 Å²	5	69.3 Å²	69.3	2%	0.019	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137	173.2	-64.8	-171.4	-177.1	-166	2.5	109.6	H8 W18 V19 V21 F226 E333	H8-R10 PolarHBondContact NE2-NE 3.41Å; H8-R10 VanDerWaalsContact NE2-NE 3.1Å; R10-W18 CarbonylContact O-C 3.55Å; R10-W18 WeakPolarHBondContact O-CA 3.41Å; R10-V19 PolarHBondContact N-O 2.97Å; R10-V19 PolarHBondContact O-N 3.18Å; R10-V21 HydrophobicContact CB-CG2 4.42Å; R10-V21 HydrophobicContact CG-CG2 3.85Å; R10-F226 HydrophobicContact CB-CD1 4.18Å; R10-F226 HydrophobicContact CB-CE1 3.7Å; R10-F226 HydrophobicContact CB-CZ 4.25Å; R10-F226 WeakPolarHBondContact CD-O 3.3Å; R10-F226 HydrophobicContact CG-CD1 4.43Å; R10-F226 HydrophobicContact CG-CE1 3.72Å; R10-F226 HydrophobicContact CG-CE2 4.45Å; R10-F226 HydrophobicContact CG-CZ 3.73Å; R10-F226 VanDerWaalsContact NH1-CD2 3.32Å; R10-F226 PolarHBondContact NH1-O 2.8Å; R10-E333 IonicContact CZ-OE1 3.35Å; R10-E333 IonicContact CZ-OE2 3.84Å; R10-E333 IonicContact NH1-OE1 2.95Å; R10-E333 PolarHBondContact NH1-OE1 3.04Å; R10-E333 IonicContact NH1-OE2 3.33Å; R10-E333 PolarHBondContact NH1-OE2 3.41Å; R10-E333 IonicContact NH2-OE1 2.79Å; R10-E333 IonicContact NH2-OE2 3.24Å; R10-E333 PolarHBondContact NH2-OE2 3.29Å
11	Y	98.4	Very high	87	Confident	84 Å²	84	66 Å²	66	33%	0.329	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	134.4	-177.3	177.8	-113.3	0	0	0	111.3	P13 D16 E17 W18 W227	Y11-P13 HydrophobicContact CD1-CB 4.26Å; Y11-P13 HydrophobicContact CE1-CB 3.83Å; Y11-P13 WeakPolarHBondContact O-CD 3.48Å; Y11-D16 VanDerWaalsContact CE2-OD1 3.28Å; Y11-D16 WeakPolarHBondContact CE2-OD1 3.5Å; Y11-D16 VanDerWaalsContact CZ-OD1 3.31Å; Y11-D16 PolarHBondContact OH-OD1 3.43Å; Y11-E17 VanDerWaalsContact CD2-O 3.3Å; Y11-E17 WeakPolarHBondContact CD2-O 3.2Å; Y11-W18 HydrophobicContact CD2-CD2 4.29Å; Y11-W18 HydrophobicContact CD2-CZ2 4.36Å; Y11-W227 WeakPolarHBondContact O-CB 3.48Å
12	N	98.5	Very high	89	Confident	6 Å²	6	58 Å²	58	3%	0.032	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	102.1	171.7	-174.9	-16.1	0	0	0	109.9	L14 K15 D16 E17 W227	N12-L14 PolarHBondContact O-N 2.82Å; N12-L14 WeakPolarHBondContact OD1-CB 3.4Å; N12-L14 PolarHBondContact OD1-N 3.31Å; N12-K15 PolarHBondContact O-N 3.37Å; N12-K15 PolarHBondContact OD1-N 2.86Å; N12-D16 PolarHBondContact O-N 3.26Å; N12-E17 PolarHBondContact N-O 3.1Å; N12-E17 PolarHBondContact O-N 3.37Å; N12-W227 HydrophobicContact CB-CB 3.71Å; N12-W227 HydrophobicContact CB-CG 3.78Å; N12-W227 VanDerWaalsContact ND2-CD1 3.29Å; N12-W227 PolarHBondContact OD1-NE1 2.84Å
13	P	98.5	Very high	90.4	Very high	28 Å²	28	56.1 Å²	56.1	18%	0.182	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-17.4	-177.5	32.4	-36.6	0	0	0	113.3	Y11 C186 M198 W227	Y11-P13 HydrophobicContact CD1-CB 4.26Å; Y11-P13 HydrophobicContact CE1-CB 3.83Å; Y11-P13 WeakPolarHBondContact O-CD 3.48Å; P13-C186 VanDerWaalsContact O-CB 3.29Å; P13-C186 WeakPolarHBondContact O-CB 3.44Å; P13-M198 HydrophobicContact CB-CE 4.05Å; P13-M198 HydrophobicContact CB-SD 3.82Å; P13-M198 HydrophobicContact CG-SD 4.08Å; P13-M198 WeakPolarHBondContact O-CE 3.49Å; P13-W227 HydrophobicContact CG-CE3 3.99Å; P13-W227 HydrophobicContact CG-CH2 3.96Å; P13-W227 HydrophobicContact CG-CZ2 4.48Å; P13-W227 HydrophobicContact CG-CZ3 3.69Å
14	L	98.3	Very high	91.4	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.021	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-24.2	177	-76.4	173.1	0	0	0	113	N12 M183 Q187 M198 L199 W227 M235	N12-L14 PolarHBondContact O-N 2.82Å; N12-L14 WeakPolarHBondContact OD1-CB 3.4Å; N12-L14 PolarHBondContact OD1-N 3.31Å; L14-M183 HydrophobicContact CB-CG 4.42Å; L14-M183 VanDerWaalsContact O-CA 3.32Å; L14-M183 WeakPolarHBondContact O-CA 3.47Å; L14-M183 WeakPolarHBondContact O-CG 3.3Å; L14-Q187 HydrophobicContact CD2-CG 3.9Å; L14-M198 HydrophobicContact CD2-SD 3.97Å; L14-M198 HydrophobicContact CG-SD 4.33Å; L14-L199 HydrophobicContact CD1-CD1 4.45Å; L14-L199 HydrophobicContact CD1-CD2 4.05Å; L14-L199 HydrophobicContact CD2-CD1 4.14Å; L14-L199 HydrophobicContact CD2-CD2 4Å; L14-L199 HydrophobicContact CD2-CG 4.16Å; L14-L199 HydrophobicContact CG-CD2 4.12Å; L14-W227 HydrophobicContact CD1-CZ2 4.03Å; L14-W227 HydrophobicContact CG-CZ2 4.39Å; L14-M235 HydrophobicContact CD1-SD 4.34Å
15	K	98	Very high	92.7	Very high	61 Å²	61	54.6 Å²	54.6	27%	0.265	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-7.1	-175	-64.4	-178.1	-176.9	167.9	0	114.1	N12 E17 V182 M183	N12-K15 PolarHBondContact O-N 3.37Å; N12-K15 PolarHBondContact OD1-N 2.86Å; K15-E17 VanDerWaalsContact C-N 3.28Å; K15-E17 HydrophobicContact CB-CB 4.27Å; K15-E17 HydrophobicContact CB-CG 4.06Å; K15-E17 PolarHBondContact O-N 2.72Å; K15-V182 WeakPolarHBondContact O-CG1 3.46Å; K15-M183 HydrophobicContact CG-CE 4.41Å
16	D	97.9	Very high	93.3	Very high	98 Å²	98	54.7 Å²	54.7	52%	0.524	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	41.3	-172.3	-159.3	25.4	0	0	0	112.7	Y11 N12	Y11-D16 VanDerWaalsContact CE2-OD1 3.28Å; Y11-D16 WeakPolarHBondContact CE2-OD1 3.5Å; Y11-D16 VanDerWaalsContact CZ-OD1 3.31Å; Y11-D16 PolarHBondContact OH-OD1 3.43Å; N12-D16 PolarHBondContact O-N 3.26Å
17	E	97.6	Very high	93	Very high	95 Å²	95	57.1 Å²	57.1	44%	0.444	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	165	-174.5	-73.1	172.8	167.5	0	0	111.1	Y11 N12 K15	Y11-E17 VanDerWaalsContact CD2-O 3.3Å; Y11-E17 WeakPolarHBondContact CD2-O 3.2Å; N12-E17 PolarHBondContact N-O 3.1Å; N12-E17 PolarHBondContact O-N 3.37Å; K15-E17 VanDerWaalsContact C-N 3.28Å; K15-E17 HydrophobicContact CB-CB 4.27Å; K15-E17 HydrophobicContact CB-CG 4.06Å; K15-E17 PolarHBondContact O-N 2.72Å
18	W	98.2	Very high	92.4	Very high	109 Å²	109	61.9 Å²	61.9	41%	0.413	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	152.3	174.4	-67.1	85.7	0	0	0	110.8	R9 R10 Y11 E325 P326	R9-W18 HydrophobicContact CB-CD2 4.48Å; R9-W18 HydrophobicContact CB-CE3 3.64Å; R9-W18 HydrophobicContact CB-CZ3 4.21Å; R9-W18 VanDerWaalsContact CZ-CG 3.47Å; R10-W18 CarbonylContact O-C 3.55Å; R10-W18 WeakPolarHBondContact O-CA 3.41Å; Y11-W18 HydrophobicContact CD2-CD2 4.29Å; Y11-W18 HydrophobicContact CD2-CZ2 4.36Å; W18-E325 HydrophobicContact CB-CG 4.47Å; W18-E325 WeakPolarHBondContact CB-OE2 3.38Å; W18-E325 WeakPolarHBondContact O-CG 3.17Å; W18-P326 WeakPolarHBondContact O-CG 3.47Å
19	V	97.8	Very high	91.4	Very high	3 Å²	3	65.5 Å²	65.5	2%	0.018	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	126.7	175.9	-175	0	0	0	0	109.3	R9 R10 V229 P326 R328	R9-V19 CarbonylContact C-O 3.53Å; R9-V19 VanDerWaalsContact CA-O 3.31Å; R9-V19 WeakPolarHBondContact CA-O 3.49Å; R10-V19 PolarHBondContact N-O 2.97Å; R10-V19 PolarHBondContact O-N 3.18Å; V19-V229 HydrophobicContact CG1-CG2 4.19Å; V19-V229 HydrophobicContact CG2-CG2 3.67Å; V19-P326 HydrophobicContact CG2-CG 4.13Å; V19-R328 HydrophobicContact CG1-CG 4.27Å
20	I	96.8	Very high	90.4	Very high	38 Å²	38	63.7 Å²	63.7	20%	0.195	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	123.6	173.8	-54.3	-179.5	0	0	0	109.3	R9 F320 E325 P326 Q327 R328	R9-I20 HydrophobicContact CG-CG1 4.29Å; I20-F320 HydrophobicContact CD1-CD1 4.43Å; I20-F320 HydrophobicContact CD1-CE1 3.47Å; I20-F320 VanDerWaalsContact CD1-CE1 3.47Å; I20-F320 HydrophobicContact CD1-CZ 3.98Å; I20-E325 HydrophobicContact CD1-CB 4.35Å; I20-E325 HydrophobicContact CG1-CB 4.48Å; I20-E325 HydrophobicContact CG1-CG 4.18Å; I20-E325 WeakPolarHBondContact CG1-OE1 3.19Å; I20-P326 PolarHBondContact N-O 3.18Å; I20-Q327 HydrophobicContact CB-CB 4.11Å; I20-Q327 HydrophobicContact CB-CG 4Å; I20-Q327 HydrophobicContact CG2-CG 4.05Å; I20-Q327 CarbonylContact O-C 3.49Å; I20-Q327 WeakPolarHBondContact O-CA 3.47Å; I20-R328 PolarHBondContact O-N 3Å
21	V	95.5	Very high	89.1	Confident	1 Å²	1	73.1 Å²	73.1	1%	0.006	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	111.8	174.4	-172.9	0	0	0	0	108.4	A7 H8 R10 R328 T331	A7-V21 VanDerWaalsContact CA-O 3.29Å; A7-V21 WeakPolarHBondContact CA-O 3.35Å; H8-V21 PolarHBondContact N-O 3.29Å; H8-V21 PolarHBondContact O-N 2.97Å; R10-V21 HydrophobicContact CB-CG2 4.42Å; R10-V21 HydrophobicContact CG-CG2 3.85Å; V21-R328 HydrophobicContact CB-CG 4.36Å; V21-R328 HydrophobicContact CG1-CG 4.31Å; V21-R328 HydrophobicContact CG2-CG 4.04Å; V21-T331 HydrophobicContact CG1-CG2 4.15Å
22	A	92.3	Very high	88.1	Confident	8 Å²	8	71 Å²	71	7%	0.066	34%	0.34	C	S	.	.			trans	-129.1	79.3	-176.2	0	0	0	0	0	110.5	A7 Q24 R25 R328	A7-A22 HydrophobicContact CB-CB 4.21Å; A22-Q24 PolarHBondContact O-N 3Å; A22-Q24 VanDerWaalsContact O-N 3.17Å; A22-R25 HydrophobicContact CB-CG 4.12Å; A22-R25 WeakPolarHBondContact O-CB 3.43Å; A22-R25 PolarHBondContact O-N 3.17Å; A22-R25 VanDerWaalsContact O-N 3.16Å; A22-R328 PolarHBondContact N-O 3.04Å
23	P	84.3	Confident	86.8	Confident	35 Å²	35	77.1 Å²	77.1	23%	0.227	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-61.7	-26.2	-170.3	23	-32.2	0	0	0	114.5	R25 L26 D329 T331	P23-R25 PolarHBondContact O-N 3.08Å; P23-L26 PolarHBondContact O-N 3.15Å; P23-D329 VanDerWaalsContact CA-O 3.28Å; P23-D329 WeakPolarHBondContact CA-O 3.37Å; P23-T331 HydrophobicContact CB-CG2 3.99Å; P23-T331 HydrophobicContact CG-CG2 4.34Å
24	Q	82.7	Confident	85.6	Confident	73 Å²	73	81.8 Å²	81.8	34%	0.341	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-68.5	-16.4	-179.1	-43.3	85.1	-7.9	0	0	112.5	G5 A22 L26 E27	G5-Q24 PolarHBondContact O-NE2 3.26Å; A22-Q24 PolarHBondContact O-N 3Å; A22-Q24 VanDerWaalsContact O-N 3.17Å; Q24-L26 PolarHBondContact O-N 2.87Å; Q24-E27 WeakPolarHBondContact O-CB 3.31Å; Q24-E27 PolarHBondContact O-N 3.41Å; Q24-E27 VanDerWaalsContact O-N 3.14Å
25	R	83.3	Confident	84.2	Confident	117 Å²	117	83.6 Å²	83.6	44%	0.442	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-68.9	-17.8	-178.1	-74.1	-178.1	56.2	126.6	0.9	113.7	A22 P23 E27 R28 R309 Q327 D329	A22-R25 HydrophobicContact CB-CG 4.12Å; A22-R25 WeakPolarHBondContact O-CB 3.43Å; A22-R25 PolarHBondContact O-N 3.17Å; A22-R25 VanDerWaalsContact O-N 3.16Å; P23-R25 PolarHBondContact O-N 3.08Å; R25-E27 PolarHBondContact O-N 2.88Å; R25-R28 WeakPolarHBondContact O-CB 3.46Å; R25-R28 PolarHBondContact O-N 3.47Å; R25-R309 PolarHBondContact O-NH2 3.03Å; R25-Q327 VanDerWaalsContact CD-NE2 3.35Å; R25-D329 HydrophobicContact CB-CB 4.1Å; R25-D329 WeakPolarHBondContact CB-OD1 3.21Å; R25-D329 WeakPolarHBondContact CD-OD1 3.48Å; R25-D329 IonicContact CZ-OD1 3.31Å; R25-D329 IonicContact NE-OD1 3.3Å; R25-D329 PolarHBondContact NE-OD1 2.94Å
26	L	78.4	Confident	82.7	Confident	53 Å²	53	86.3 Å²	86.3	28%	0.277	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-64.5	-26.5	172.1	-75.4	170.7	0	0	0	112.8	P23 Q24 R28 L308 R309 D329 L330	P23-L26 PolarHBondContact O-N 3.15Å; Q24-L26 PolarHBondContact O-N 2.87Å; L26-R28 VanDerWaalsContact C-N 3.26Å; L26-R28 PolarHBondContact O-N 3.37Å; L26-L308 HydrophobicContact CD2-CD1 3.92Å; L26-L308 HydrophobicContact CD2-CD2 4.38Å; L26-L308 HydrophobicContact CD2-CG 4.18Å; L26-R309 HydrophobicContact CD2-CG 4.37Å; L26-R309 PolarHBondContact O-NH2 2.74Å; L26-D329 WeakPolarHBondContact CD1-O 3.32Å; L26-D329 HydrophobicContact CD2-CB 4.03Å; L26-D329 HydrophobicContact CG-CB 4.01Å; L26-D329 VanDerWaalsContact CG-O 3.31Å; L26-D329 WeakPolarHBondContact CG-O 3.26Å; L26-L330 HydrophobicContact CD1-CB 4.05Å; L26-L330 HydrophobicContact CD1-CD1 3.7Å; L26-L330 HydrophobicContact CD1-CG 4.48Å
27	E	77.8	Confident	81	Confident	166 Å²	166	84.8 Å²	84.8	78%	0.776	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-76.1	-14.9	179.6	-60.7	176.5	-177.1	0	0	112.8	Q24 R25 P29	Q24-E27 WeakPolarHBondContact O-CB 3.31Å; Q24-E27 PolarHBondContact O-N 3.41Å; Q24-E27 VanDerWaalsContact O-N 3.14Å; R25-E27 PolarHBondContact O-N 2.88Å; E27-P29 WeakPolarHBondContact O-CD 3.49Å
28	R	78.3	Confident	79.2	Confident	165 Å²	165	84.2 Å²	84.2	62%	0.623	41%	0.412	S	S	*	.	S	Bend	trans	-64.2	128.4	178.8	-173.3	178.7	178	-124	1	110.2	R25 L26 W30 R309	R25-R28 WeakPolarHBondContact O-CB 3.46Å; R25-R28 PolarHBondContact O-N 3.47Å; L26-R28 VanDerWaalsContact C-N 3.26Å; L26-R28 PolarHBondContact O-N 3.37Å; R28-W30 PolarHBondContact O-N 2.8Å; R28-R309 VanDerWaalsContact O-CZ 3.27Å; R28-R309 PolarHBondContact O-NH1 3.21Å; R28-R309 PolarHBondContact O-NH2 3.1Å
29	P	74	Confident	77.1	Confident	103 Å²	103	82.9 Å²	82.9	67%	0.669	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-58.5	129.6	175.6	-23.9	33.2	0	0	0	111.7	E27	E27-P29 WeakPolarHBondContact O-CD 3.49Å
30	W	75.2	Confident	75	Confident	86 Å²	86	87 Å²	87	33%	0.326	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-91.9	129.2	172.1	-177.2	-105.1	0	0	0	109.5	R28 E33 V313 F316	R28-W30 PolarHBondContact O-N 2.8Å; W30-E33 PolarHBondContact NE1-O 2.98Å; W30-V313 HydrophobicContact CD2-CG1 4.23Å; W30-V313 HydrophobicContact CG-CG1 4.08Å; W30-F316 AromaticContact CH2-CD2 3.79Å; W30-F316 HydrophobicContact CH2-CD2 3.79Å; W30-F316 AromaticContact CH2-CE2 3.62Å; W30-F316 HydrophobicContact CH2-CE2 3.62Å; W30-F316 HydrophobicContact CZ2-CD2 4.33Å; W30-F316 AromaticContact CZ2-CE2 3.71Å; W30-F316 HydrophobicContact CZ2-CE2 3.71Å
31	K	69.4	Low	73.2	Confident	203 Å²	203	87.8 Å²	87.8	88%	0.883	46%	0.459	S	S	*	.			trans	-134.8	20.1	173.7	-63.6	-173.2	177.3	-176	0	111.3
32	G	76.8	Confident	71.4	Confident	40 Å²	40	88.7 Å²	88.7	41%	0.412	47%	0.465	S	S	.	.	S	Bend	trans	-88.9	-163.2	-179.4	0	0	0	0	0	111.5
33	E	72.7	Confident	69.6	Low	133 Å²	133	96.9 Å²	96.9	62%	0.621	49%	0.494	S	S	*	.			trans	-60.3	143.6	177.2	-168.2	174.6	-174.9	0	0	111.8	W30	W30-E33 PolarHBondContact NE1-O 2.98Å
34	E	72.9	Confident	68.1	Low	126 Å²	126	100.4 Å²	100.4	59%	0.589	52%	0.515	S	S	*	.			trans	-115.7	123.5	172.7	-72.9	-171.4	-178.4	0	0	108.4	T312	E34-T312 CarbonylContact C-O 3.52Å; E34-T312 WeakPolarHBondContact CA-O 3.41Å
35	E	68.8	Low	67.1	Low	43 Å²	43	98 Å²	98	20%	0.201	50%	0.504	C	S	.	.			trans	-60.9	139.1	172.6	-66	-71.7	158.2	0	0	109.6	P37 T312 K314	E35-P37 WeakPolarHBondContact O-CD 3.36Å; E35-T312 PolarHBondContact N-O 3.18Å; E35-T312 VanDerWaalsContact O-CB 3.28Å; E35-T312 WeakPolarHBondContact O-CB 3.37Å; E35-T312 WeakPolarHBondContact O-CG2 3.42Å; E35-K314 HydrophobicContact CG-CD 4.25Å; E35-K314 HydrophobicContact CG-CG 4.49Å; E35-K314 VanDerWaalsContact OE1-CD 3.24Å; E35-K314 WeakPolarHBondContact OE1-CD 3.44Å; E35-K314 WeakPolarHBondContact OE1-CE 3.32Å; E35-K314 IonicContact OE1-NZ 2.77Å; E35-K314 PolarHBondContact OE1-NZ 2.76Å
36	T	65.6	Low	66.4	Low	117 Å²	117	99.1 Å²	99.1	72%	0.718	52%	0.515	S	S	*	.			trans	-82.7	115.4	169.6	-56.3	0	0	0	0	108.3	I38	T36-I38 PolarHBondContact O-N 3.34Å; T36-I38 VanDerWaalsContact O-N 3.1Å
37	P	61.7	Low	65.9	Low	66 Å²	66	102.7 Å²	102.7	43%	0.429	53%	0.528	S	S	.	.			trans	-58.1	121.5	175.4	-22.3	35	0	0	0	108.9	E35 G39 A311 T312	E35-P37 WeakPolarHBondContact O-CD 3.36Å; P37-G39 PolarHBondContact O-N 3.34Å; P37-G39 VanDerWaalsContact O-N 3.09Å; P37-A311 HydrophobicContact CG-CB 4.14Å; P37-T312 HydrophobicContact CG-CG2 3.77Å
38	I	60.9	Low	65.5	Low	83 Å²	83	94.8 Å²	94.8	43%	0.426	49%	0.491	S	S	.	.			trans	-77.4	103.1	-174.5	-67.1	-174.5	0	0	0	108.7	T36 L40 A157	T36-I38 PolarHBondContact O-N 3.34Å; T36-I38 VanDerWaalsContact O-N 3.1Å; I38-L40 HydrophobicContact CG2-CB 3.53Å; I38-L40 HydrophobicContact CG2-CD1 3.28Å; I38-L40 HydrophobicContact CG2-CG 3.33Å; I38-L40 PolarHBondContact O-N 3.22Å; I38-A157 HydrophobicContact CD1-CB 3.71Å
39	G	54.5	Low	65.7	Low	82 Å²	82	91.6 Å²	91.6	85%	0.845	48%	0.482	S	S	*	.			trans	-87.1	38.7	165.5	0	0	0	0	0	112.8	P37 D41	P37-G39 PolarHBondContact O-N 3.34Å; P37-G39 VanDerWaalsContact O-N 3.09Å; G39-D41 PolarHBondContact O-N 2.92Å
40	L	53.5	Low	66.3	Low	90 Å²	90	88.5 Å²	88.5	47%	0.471	46%	0.464	S	S	.	.			trans	-78.4	112.9	-176	-73	168.1	0	0	0	110	I38 P42	I38-L40 HydrophobicContact CG2-CB 3.53Å; I38-L40 HydrophobicContact CG2-CD1 3.28Å; I38-L40 HydrophobicContact CG2-CG 3.33Å; I38-L40 PolarHBondContact O-N 3.22Å; L40-P42 WeakPolarHBondContact O-CD 3.42Å
41	D	58.7	Low	67.2	Low	53 Å²	53	85 Å²	85	28%	0.283	45%	0.452	S	S	.	.			trans	-60	114.4	166.1	-175.6	-22.4	0	0	0	109.5	G39 R43 T44	G39-D41 PolarHBondContact O-N 2.92Å; D41-R43 PolarHBondContact O-N 3.33Å; D41-R43 WeakPolarHBondContact OD1-CB 3.35Å; D41-R43 WeakPolarHBondContact OD1-CG 3.31Å; D41-R43 IonicContact OD1-CZ 3.66Å; D41-R43 PolarHBondContact OD1-N 3.41Å; D41-R43 IonicContact OD1-NE 2.82Å; D41-R43 PolarHBondContact OD1-NE 3.12Å; D41-R43 IonicContact OD1-NH2 3.53Å; D41-R43 IonicContact OD2-CZ 2.86Å; D41-R43 IonicContact OD2-NE 3.31Å; D41-R43 PolarHBondContact OD2-NE 2.9Å; D41-R43 IonicContact OD2-NH2 3.49Å; D41-R43 PolarHBondContact OD2-NH2 3.38Å; D41-T44 PolarHBondContact O-N 2.89Å; D41-T44 PolarHBondContact O-OG1 3.39Å
42	P	57.1	Low	68.3	Low	21 Å²	21	77.8 Å²	77.8	14%	0.136	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-19	-177.6	-22.6	35.9	0	0	0	114.3	L40 T44 E117 I164	L40-P42 WeakPolarHBondContact O-CD 3.42Å; P42-T44 VanDerWaalsContact C-N 3.34Å; P42-E117 HydrophobicContact CB-CG 3.9Å; P42-E117 HydrophobicContact CG-CB 4.45Å; P42-E117 HydrophobicContact CG-CG 3.83Å; P42-I164 VanDerWaalsContact CA-CD1 3.44Å; P42-I164 HydrophobicContact CB-CD1 3.65Å; P42-I164 HydrophobicContact CG-CD1 4.21Å
43	R	54.8	Low	69.1	Low	179 Å²	179	77.2 Å²	77.2	68%	0.675	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-30.3	-177.2	-59.6	170.2	-64.6	-171.9	0.5	112.3	D41 E117	D41-R43 PolarHBondContact O-N 3.33Å; D41-R43 WeakPolarHBondContact OD1-CB 3.35Å; D41-R43 WeakPolarHBondContact OD1-CG 3.31Å; D41-R43 IonicContact OD1-CZ 3.66Å; D41-R43 PolarHBondContact OD1-N 3.41Å; D41-R43 IonicContact OD1-NE 2.82Å; D41-R43 PolarHBondContact OD1-NE 3.12Å; D41-R43 IonicContact OD1-NH2 3.53Å; D41-R43 IonicContact OD2-CZ 2.86Å; D41-R43 IonicContact OD2-NE 3.31Å; D41-R43 PolarHBondContact OD2-NE 2.9Å; D41-R43 IonicContact OD2-NH2 3.49Å; D41-R43 PolarHBondContact OD2-NH2 3.38Å; R43-E117 WeakPolarHBondContact CD-OE1 3.33Å; R43-E117 HydrophobicContact CG-CG 4.39Å; R43-E117 WeakPolarHBondContact CG-OE1 3.41Å; R43-E117 IonicContact CZ-OE1 3.84Å; R43-E117 IonicContact NE-OE1 2.93Å; R43-E117 PolarHBondContact NE-OE1 3.02Å
44	T	53.3	Low	70.1	Confident	109 Å²	109	73.2 Å²	73.2	67%	0.669	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-9.6	-177	59.8	0	0	0	0	112.8	D41 P42 E46	D41-T44 PolarHBondContact O-N 2.89Å; D41-T44 PolarHBondContact O-OG1 3.39Å; P42-T44 VanDerWaalsContact C-N 3.34Å; T44-E46 PolarHBondContact O-N 3.39Å
45	N	61.7	Low	71	Confident	23 Å²	23	68.4 Å²	68.4	12%	0.123	39%	0.385	C	S	.	.			trans	-84.3	114	-171	-162.9	-26	0	0	0	112	K47 A48 I164	N45-K47 PolarHBondContact O-N 3.32Å; N45-K47 WeakPolarHBondContact OD1-CB 3.49Å; N45-K47 VanDerWaalsContact OD1-CG 3.23Å; N45-K47 WeakPolarHBondContact OD1-CG 3.36Å; N45-K47 PolarHBondContact OD1-N 3Å; N45-A48 PolarHBondContact O-N 3.45Å; N45-I164 HydrophobicContact CB-CD1 3.53Å; N45-I164 HydrophobicContact CB-CG1 4.5Å
46	E	68.4	Low	72.2	Confident	140 Å²	140	74.6 Å²	74.6	65%	0.654	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-55.3	-25.9	175.1	-56.4	-148.7	119.4	0	0	113.4	T44 A48 K49	T44-E46 PolarHBondContact O-N 3.39Å; E46-A48 PolarHBondContact O-N 3.34Å; E46-K49 HydrophobicContact CB-CD 4.31Å; E46-K49 WeakPolarHBondContact O-CB 3.34Å; E46-K49 PolarHBondContact O-N 3.04Å; E46-K49 VanDerWaalsContact O-N 3.15Å; E46-K49 IonicContact OE1-NZ 3.18Å; E46-K49 PolarHBondContact OE1-NZ 3.28Å
47	K	67.4	Low	73.5	Confident	128 Å²	128	70.2 Å²	70.2	56%	0.557	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-63.6	-23.7	178.4	-63.9	176.9	174.9	-176.4	0	113.3	N45 N163	N45-K47 PolarHBondContact O-N 3.32Å; N45-K47 WeakPolarHBondContact OD1-CB 3.49Å; N45-K47 VanDerWaalsContact OD1-CG 3.23Å; N45-K47 WeakPolarHBondContact OD1-CG 3.36Å; N45-K47 PolarHBondContact OD1-N 3Å; K47-N163 PolarHBondContact O-ND2 3.33Å; K47-N163 PolarHBondContact O-OD1 2.84Å; K47-N163 VanDerWaalsContact O-OD1 3.11Å
48	A	69.9	Low	74.9	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-80.5	-25.7	177.2	0	0	0	0	0	113.1	N45 E46 A50 L51 I164 H165	N45-A48 PolarHBondContact O-N 3.45Å; E46-A48 PolarHBondContact O-N 3.34Å; A48-A50 VanDerWaalsContact C-N 3.32Å; A48-A50 PolarHBondContact O-N 3.48Å; A48-A50 VanDerWaalsContact O-N 3.16Å; A48-L51 PolarHBondContact O-N 2.94Å; A48-L51 VanDerWaalsContact O-N 3.16Å; A48-I164 HydrophobicContact CB-CD1 4.09Å; A48-I164 HydrophobicContact CB-CG1 3.67Å; A48-H165 HydrophobicContact CB-CB 4.43Å
49	K	81.4	Confident	76.3	Confident	99 Å²	99	70.4 Å²	70.4	43%	0.43	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-54.9	-44.5	-162.4	-71.8	177.6	-179.9	174.1	0	112.4	E46 L51 Q52 S55	E46-K49 HydrophobicContact CB-CD 4.31Å; E46-K49 WeakPolarHBondContact O-CB 3.34Å; E46-K49 PolarHBondContact O-N 3.04Å; E46-K49 VanDerWaalsContact O-N 3.15Å; E46-K49 IonicContact OE1-NZ 3.18Å; E46-K49 PolarHBondContact OE1-NZ 3.28Å; K49-L51 PolarHBondContact O-N 3.3Å; K49-Q52 PolarHBondContact O-N 2.82Å; K49-Q52 VanDerWaalsContact O-N 3.12Å; K49-S55 WeakPolarHBondContact O-CB 3.21Å; K49-S55 PolarHBondContact O-OG 2.94Å
50	A	87.6	Confident	78.1	Confident	37 Å²	37	68 Å²	68	31%	0.306	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-60.3	-21.7	-174.2	0	0	0	0	0	115.1	A48 N63	A48-A50 VanDerWaalsContact C-N 3.32Å; A48-A50 PolarHBondContact O-N 3.48Å; A48-A50 VanDerWaalsContact O-N 3.16Å; A50-N63 PolarHBondContact O-ND2 2.94Å
51	L	93.1	Very high	80.1	Confident	13 Å²	13	68.6 Å²	68.6	7%	0.068	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-103.1	-10.9	-179.5	-65.2	-177.6	0	0	0	113.6	A48 K49 Y66 F72 V109 N163 H165 H167	A48-L51 PolarHBondContact O-N 2.94Å; A48-L51 VanDerWaalsContact O-N 3.16Å; K49-L51 PolarHBondContact O-N 3.3Å; L51-Y66 PolarHBondContact O-OH 3.01Å; L51-F72 HydrophobicContact CD2-CE1 3.71Å; L51-F72 HydrophobicContact CD2-CZ 3.47Å; L51-F72 VanDerWaalsContact CD2-CZ 3.47Å; L51-V109 HydrophobicContact CD2-CG1 4.05Å; L51-N163 HydrophobicContact CD1-CB 4.2Å; L51-N163 WeakPolarHBondContact CD1-ND2 3.48Å; L51-N163 VanDerWaalsContact CG-ND2 3.35Å; L51-N163 WeakPolarHBondContact CG-ND2 3.43Å; L51-H165 HydrophobicContact CB-CB 3.85Å; L51-H165 HydrophobicContact CD1-CB 4.15Å; L51-H167 HydrophobicContact CD1-CB 4.07Å
52	Q	92.7	Very high	81.9	Confident	51 Å²	51	69.7 Å²	69.7	24%	0.238	37%	0.374	C	S	.	.	S	Bend	trans	-68.3	156.8	179.9	-73.4	174.8	-32.9	0	0	112.4	K49 S55 N63 S116	K49-Q52 PolarHBondContact O-N 2.82Å; K49-Q52 VanDerWaalsContact O-N 3.12Å; Q52-S55 WeakPolarHBondContact O-CB 3.13Å; Q52-S55 PolarHBondContact O-N 3.04Å; Q52-N63 WeakPolarHBondContact O-CB 3.17Å; Q52-N63 PolarHBondContact O-ND2 3.3Å; Q52-S116 PolarHBondContact NE2-OG 2.87Å
53	P	94.1	Very high	83.7	Confident	29 Å²	29	68.8 Å²	68.8	19%	0.188	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	140.4	172.7	-16.8	26.6	0	0	0	111.8	S55 P64 D65 Y66 R114	P53-S55 PolarHBondContact O-N 2.63Å; P53-S55 VanDerWaalsContact O-N 3.11Å; P53-P64 WeakPolarHBondContact CA-O 3.48Å; P53-D65 WeakPolarHBondContact CB-OD1 3.4Å; P53-Y66 HydrophobicContact CB-CD1 4.07Å; P53-Y66 HydrophobicContact CB-CE1 4.03Å; P53-Y66 HydrophobicContact CG-CD1 4.08Å; P53-Y66 HydrophobicContact CG-CD2 4.38Å; P53-Y66 HydrophobicContact CG-CE1 3.75Å; P53-Y66 HydrophobicContact CG-CE2 4.09Å; P53-Y66 HydrophobicContact CG-CG 4.36Å; P53-R114 HydrophobicContact CG-CB 3.75Å
54	G	93.9	Very high	85.8	Confident	48 Å²	48	63.4 Å²	63.4	50%	0.495	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	-6.8	179.9	0	0	0	0	0	115.8	V62 N63 P64	G54-V62 WeakPolarHBondContact O-CG1 3.12Å; G54-N63 VanDerWaalsContact CA-O 3.26Å; G54-N63 WeakPolarHBondContact CA-O 3.48Å; G54-N63 PolarHBondContact N-O 3.27Å; G54-N63 VanDerWaalsContact N-O 3.08Å; G54-P64 PolarHBondContact N-O 3.47Å
55	S	92.4	Very high	87.8	Confident	26 Å²	26	63.5 Å²	63.5	18%	0.182	35%	0.353	C	S	.	.			trans	-78	147.7	-179.9	-68.8	0	0	0	0	113	K49 Q52 P53 N63	K49-S55 WeakPolarHBondContact O-CB 3.21Å; K49-S55 PolarHBondContact O-OG 2.94Å; Q52-S55 WeakPolarHBondContact O-CB 3.13Å; Q52-S55 PolarHBondContact O-N 3.04Å; P53-S55 PolarHBondContact O-N 2.63Å; P53-S55 VanDerWaalsContact O-N 3.11Å; S55-N63 PolarHBondContact O-N 3.11Å
56	R	93	Very high	89.5	Confident	172 Å²	172	63.2 Å²	63.2	65%	0.649	35%	0.35	S	S	*	.	B	Isolated β-bridge	trans	-82.8	130.8	172.4	-170.2	178.1	-61.7	-83.7	2.3	110.3	G60 L61 V62	R56-G60 PolarHBondContact NH1-O 2.92Å; R56-L61 WeakPolarHBondContact CA-O 3.49Å; R56-V62 HydrophobicContact CB-CG2 4.48Å
57	R	93.1	Very high	90.7	Very high	26 Å²	26	61.6 Å²	61.6	10%	0.098	34%	0.343	C	S	.	.			trans	-87.9	174.4	175	-51.6	-161.1	-59.7	-84.5	4.1	112.2	S59 G60 L61 N63 F72 D75	R57-S59 PolarHBondContact O-N 3.02Å; R57-G60 PolarHBondContact O-N 3.47Å; R57-L61 PolarHBondContact N-O 3.23Å; R57-N63 WeakPolarHBondContact CD-OD1 3.28Å; R57-N63 VanDerWaalsContact CG-OD1 3.23Å; R57-N63 WeakPolarHBondContact CG-OD1 3.16Å; R57-N63 PolarHBondContact NH1-OD1 3.44Å; R57-F72 VanDerWaalsContact CD-CE2 3.46Å; R57-D75 WeakPolarHBondContact CB-OD2 3.34Å; R57-D75 IonicContact CZ-OD1 3.03Å; R57-D75 IonicContact NE-OD1 3.13Å; R57-D75 PolarHBondContact NE-OD1 3.41Å; R57-D75 IonicContact NE-OD2 3.5Å; R57-D75 PolarHBondContact NE-OD2 2.72Å; R57-D75 IonicContact NH2-OD1 3.62Å; R57-D75 PolarHBondContact NH2-OD1 3.39Å
58	S	90.6	Very high	91.9	Very high	92 Å²	92	60.2 Å²	60.2	64%	0.643	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-30.2	178.2	-60	0	0	0	0	113.3	G60	S58-G60 PolarHBondContact O-N 3.04Å
59	S	91.2	Very high	93.2	Very high	60 Å²	60	62 Å²	62	42%	0.42	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-7	172.3	55	0	0	0	0	114.3	R57 L61 D75	R57-S59 PolarHBondContact O-N 3.02Å; S59-L61 PolarHBondContact O-N 2.93Å; S59-D75 VanDerWaalsContact CB-CG 3.45Å; S59-D75 WeakPolarHBondContact CB-OD1 3.41Å; S59-D75 PolarHBondContact N-OD2 3.26Å; S59-D75 PolarHBondContact OG-OD1 3.29Å; S59-D75 PolarHBondContact OG-OD2 3.08Å
60	G	93.3	Very high	93.9	Very high	32 Å²	32	59 Å²	59	33%	0.33	34%	0.337	S	S	.	.	S	Bend	trans	83.4	-8.9	-173.2	0	0	0	0	0	114	R56 R57 S58	R56-G60 PolarHBondContact NH1-O 2.92Å; R57-G60 PolarHBondContact O-N 3.47Å; S58-G60 PolarHBondContact O-N 3.04Å
61	L	94.4	Very high	94.4	Very high	102 Å²	102	61.2 Å²	61.2	53%	0.534	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-68	148.8	172.6	-65.7	173.9	0	0	0	110.8	R56 R57 S59	R56-L61 WeakPolarHBondContact CA-O 3.49Å; R57-L61 PolarHBondContact N-O 3.23Å; S59-L61 PolarHBondContact O-N 2.93Å
62	V	95.7	Very high	94.6	Very high	76 Å²	76	61.4 Å²	61.4	46%	0.461	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-103.6	130.2	179.1	179.7	0	0	0	0	108.7	G54 R56	G54-V62 WeakPolarHBondContact O-CG1 3.12Å; R56-V62 HydrophobicContact CB-CG2 4.48Å
63	N	96.8	Very high	94.8	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.011	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-65.2	137.7	173.8	-64.3	-22.9	0	0	0	109.1	A50 Q52 G54 S55 R57 F70	A50-N63 PolarHBondContact O-ND2 2.94Å; Q52-N63 WeakPolarHBondContact O-CB 3.17Å; Q52-N63 PolarHBondContact O-ND2 3.3Å; G54-N63 VanDerWaalsContact CA-O 3.26Å; G54-N63 WeakPolarHBondContact CA-O 3.48Å; G54-N63 PolarHBondContact N-O 3.27Å; G54-N63 VanDerWaalsContact N-O 3.08Å; S55-N63 PolarHBondContact O-N 3.11Å; R57-N63 WeakPolarHBondContact CD-OD1 3.28Å; R57-N63 VanDerWaalsContact CG-OD1 3.23Å; R57-N63 WeakPolarHBondContact CG-OD1 3.16Å; R57-N63 PolarHBondContact NH1-OD1 3.44Å; N63-F70 HydrophobicContact CB-CE1 4.15Å
64	P	96.9	Very high	94.8	Very high	67 Å²	67	62.8 Å²	62.8	44%	0.435	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-59.6	162.1	171.5	28.3	-34.1	0	0	0	110.2	P53 G54 Y66 F70	P53-P64 WeakPolarHBondContact CA-O 3.48Å; G54-P64 PolarHBondContact N-O 3.47Å; P64-Y66 HydrophobicContact CG-CD1 4.49Å; P64-Y66 VanDerWaalsContact O-CD1 3.31Å; P64-Y66 WeakPolarHBondContact O-CD1 3.33Å; P64-Y66 PolarHBondContact O-N 3.2Å; P64-F70 HydrophobicContact CG-CD2 3.8Å; P64-F70 HydrophobicContact CG-CE2 3.55Å; P64-F70 HydrophobicContact CG-CG 4.4Å; P64-F70 HydrophobicContact CG-CZ 3.95Å
65	D	96.2	Very high	94.8	Very high	111 Å²	111	62.5 Å²	62.5	59%	0.594	33%	0.334	S	S	*	.			trans	-75.9	72.3	167.8	-167.8	17.9	0	0	0	109.4	P53 R114	P53-D65 WeakPolarHBondContact CB-OD1 3.4Å; D65-R114 IonicContact OD1-NH2 3.34Å; D65-R114 PolarHBondContact OD1-NH2 2.95Å
66	Y	96.7	Very high	94.8	Very high	16 Å²	16	68.4 Å²	68.4	6%	0.063	36%	0.357	C	S	.	.			trans	-77.6	139.3	-177.5	65.4	-93.4	0	0	0	111	L51 P53 P64 Q68 F70 C111 R114 H165	L51-Y66 PolarHBondContact O-OH 3.01Å; P53-Y66 HydrophobicContact CB-CD1 4.07Å; P53-Y66 HydrophobicContact CB-CE1 4.03Å; P53-Y66 HydrophobicContact CG-CD1 4.08Å; P53-Y66 HydrophobicContact CG-CD2 4.38Å; P53-Y66 HydrophobicContact CG-CE1 3.75Å; P53-Y66 HydrophobicContact CG-CE2 4.09Å; P53-Y66 HydrophobicContact CG-CG 4.36Å; P64-Y66 HydrophobicContact CG-CD1 4.49Å; P64-Y66 VanDerWaalsContact O-CD1 3.31Å; P64-Y66 WeakPolarHBondContact O-CD1 3.33Å; P64-Y66 PolarHBondContact O-N 3.2Å; Y66-Q68 WeakPolarHBondContact CD2-O 3.24Å; Y66-F70 HydrophobicContact CD1-CB 3.52Å; Y66-F70 AromaticContact CD1-CD1 3.74Å; Y66-F70 HydrophobicContact CD1-CD1 3.74Å; Y66-F70 AromaticContact CD1-CG 3.69Å; Y66-F70 HydrophobicContact CD1-CG 3.69Å; Y66-F70 HydrophobicContact CD2-CB 3.62Å; Y66-F70 HydrophobicContact CE1-CB 3.92Å; Y66-F70 AromaticContact CE1-CD1 3.77Å; Y66-F70 HydrophobicContact CE1-CD1 3.77Å; Y66-F70 HydrophobicContact CE1-CG 4.12Å; Y66-F70 HydrophobicContact CE2-CB 4.01Å; Y66-F70 HydrophobicContact CG-CB 3.37Å; Y66-F70 HydrophobicContact CG-CD1 4.48Å; Y66-F70 HydrophobicContact CG-CG 4.01Å; Y66-C111 HydrophobicContact CE2-CB 4.18Å; Y66-R114 HydrophobicContact CD2-CB 4.36Å; Y66-R114 HydrophobicContact CE2-CB 4.1Å; Y66-R114 WeakPolarHBondContact O-CB 3.35Å; Y66-H165 PolarHBondContact OH-CE1 3.46Å; Y66-H165 VanDerWaalsContact OH-CE1 3.32Å; Y66-H165 PolarHBondContact OH-NE2 2.81Å
67	E	93.5	Very high	94.8	Very high	107 Å²	107	62.8 Å²	62.8	50%	0.5	34%	0.343	S	S	.	.	S	Bend	trans	-91.4	-28.5	-176.5	-74.4	-64	148.6	0	0	113.5	R114	E67-R114 IonicContact OE1-CZ 3.95Å; E67-R114 VanDerWaalsContact OE1-CZ 3.24Å; E67-R114 IonicContact OE1-NH1 3.4Å; E67-R114 PolarHBondContact OE1-NH1 3.34Å; E67-R114 IonicContact OE1-NH2 3.64Å; E67-R114 PolarHBondContact OE1-NH2 3.43Å; E67-R114 IonicContact OE2-CZ 2.64Å; E67-R114 IonicContact OE2-NE 3.41Å; E67-R114 IonicContact OE2-NH1 2.82Å; E67-R114 PolarHBondContact OE2-NH1 2.8Å
68	Q	92.4	Very high	94.7	Very high	99 Å²	99	64.4 Å²	64.4	46%	0.463	36%	0.362	S	S	.	.	S	Bend	trans	-125.1	-117.6	-172	-62.2	176.5	-7.3	0	0	110.4	Y66 H113	Y66-Q68 WeakPolarHBondContact CD2-O 3.24Å; Q68-H113 WeakPolarHBondContact O-CA 3.49Å
69	T	97.5	Very high	94.7	Very high	38 Å²	38	60.8 Å²	60.8	23%	0.233	34%	0.335	C	S	.	.			trans	-83.8	150	172.2	59.2	0	0	0	0	110.7	C111 V131 C134	T69-C111 CarbonylContact C-O 3.52Å; T69-C111 VanDerWaalsContact CA-O 3.22Å; T69-C111 WeakPolarHBondContact CA-O 3.39Å; T69-V131 HydrophobicContact CG2-CG2 4.01Å; T69-C134 HydrophobicContact CG2-CB 4.05Å
70	F	97.9	Very high	94.1	Very high	36 Å²	36	62.7 Å²	62.7	16%	0.158	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	140.9	172.4	169.3	-119.5	0	0	0	109.8	N63 P64 Y66 F72 L110 C111	N63-F70 HydrophobicContact CB-CE1 4.15Å; P64-F70 HydrophobicContact CG-CD2 3.8Å; P64-F70 HydrophobicContact CG-CE2 3.55Å; P64-F70 HydrophobicContact CG-CG 4.4Å; P64-F70 HydrophobicContact CG-CZ 3.95Å; Y66-F70 HydrophobicContact CD1-CB 3.52Å; Y66-F70 AromaticContact CD1-CD1 3.74Å; Y66-F70 HydrophobicContact CD1-CD1 3.74Å; Y66-F70 AromaticContact CD1-CG 3.69Å; Y66-F70 HydrophobicContact CD1-CG 3.69Å; Y66-F70 HydrophobicContact CD2-CB 3.62Å; Y66-F70 HydrophobicContact CE1-CB 3.92Å; Y66-F70 AromaticContact CE1-CD1 3.77Å; Y66-F70 HydrophobicContact CE1-CD1 3.77Å; Y66-F70 HydrophobicContact CE1-CG 4.12Å; Y66-F70 HydrophobicContact CE2-CB 4.01Å; Y66-F70 HydrophobicContact CG-CB 3.37Å; Y66-F70 HydrophobicContact CG-CD1 4.48Å; Y66-F70 HydrophobicContact CG-CG 4.01Å; F70-F72 AromaticContact CD1-CD1 4Å; F70-F72 HydrophobicContact CD1-CD1 4Å; F70-F72 HydrophobicContact CE1-CB 4.21Å; F70-F72 AromaticContact CE1-CD1 3.46Å; F70-F72 HydrophobicContact CE1-CD1 3.46Å; F70-F72 VanDerWaalsContact CE1-CD1 3.46Å; F70-F72 HydrophobicContact CE1-CE1 4.22Å; F70-F72 HydrophobicContact CE1-CG 4.15Å; F70-F72 HydrophobicContact CZ-CB 3.91Å; F70-F72 HydrophobicContact CZ-CD1 4.07Å; F70-F72 HydrophobicContact CZ-CG 4.35Å; F70-L110 CarbonylContact O-C 3.59Å; F70-C111 HydrophobicContact CB-CB 4.33Å; F70-C111 PolarHBondContact N-O 2.95Å; F70-C111 PolarHBondContact O-N 3.26Å
71	W	97.5	Very high	92.5	Very high	83 Å²	83	61.4 Å²	61.4	31%	0.314	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	150.6	174.4	73.1	-96.6	0	0	0	111.7	V73 R108 V109 L110 Q138	W71-V73 HydrophobicContact CZ3-CG2 4.45Å; W71-R108 HydrophobicContact CE3-CG 4.22Å; W71-R108 HydrophobicContact CZ3-CG 4.35Å; W71-V109 WeakPolarHBondContact CA-O 3.22Å; W71-L110 HydrophobicContact CB-CD2 3.36Å; W71-L110 HydrophobicContact CG-CD2 4.31Å; W71-Q138 VanDerWaalsContact NE1-NE2 3.15Å
72	F	97	Very high	91.3	Very high	17 Å²	17	66.2 Å²	66.2	8%	0.075	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	159.6	174	61.1	-81.5	0	0	0	110.5	L51 R57 F70 N74 R108 V109	L51-F72 HydrophobicContact CD2-CE1 3.71Å; L51-F72 HydrophobicContact CD2-CZ 3.47Å; L51-F72 VanDerWaalsContact CD2-CZ 3.47Å; R57-F72 VanDerWaalsContact CD-CE2 3.46Å; F70-F72 AromaticContact CD1-CD1 4Å; F70-F72 HydrophobicContact CD1-CD1 4Å; F70-F72 HydrophobicContact CE1-CB 4.21Å; F70-F72 AromaticContact CE1-CD1 3.46Å; F70-F72 HydrophobicContact CE1-CD1 3.46Å; F70-F72 VanDerWaalsContact CE1-CD1 3.46Å; F70-F72 HydrophobicContact CE1-CE1 4.22Å; F70-F72 HydrophobicContact CE1-CG 4.15Å; F70-F72 HydrophobicContact CZ-CB 3.91Å; F70-F72 HydrophobicContact CZ-CD1 4.07Å; F70-F72 HydrophobicContact CZ-CG 4.35Å; F72-N74 PolarHBondContact O-N 3.3Å; F72-R108 CarbonylContact O-C 3.49Å; F72-R108 VanDerWaalsContact O-CA 3.24Å; F72-R108 WeakPolarHBondContact O-CA 3.34Å; F72-V109 HydrophobicContact CD1-CB 4.3Å; F72-V109 HydrophobicContact CE1-CB 3.71Å; F72-V109 HydrophobicContact CE1-CG1 3.76Å; F72-V109 HydrophobicContact CE2-CB 4.05Å; F72-V109 HydrophobicContact CE2-CG2 4.14Å; F72-V109 HydrophobicContact CZ-CB 3.55Å; F72-V109 HydrophobicContact CZ-CG1 3.75Å; F72-V109 HydrophobicContact CZ-CG2 3.95Å; F72-V109 PolarHBondContact N-O 3.13Å; F72-V109 VanDerWaalsContact N-O 3.12Å; F72-V109 PolarHBondContact O-N 3.16Å
73	V	96	Very high	89.9	Confident	77 Å²	77	68.1 Å²	68.1	47%	0.467	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	129.5	171.5	178.4	0	0	0	0	108.4	W71 D75 V106	W71-V73 HydrophobicContact CZ3-CG2 4.45Å; V73-D75 PolarHBondContact O-N 3.23Å; V73-V106 HydrophobicContact CG1-CG2 4.44Å
74	N	95.1	Very high	88.5	Confident	32 Å²	32	71.1 Å²	71.1	17%	0.171	37%	0.366	C	S	.	.			trans	-57.5	131.1	-177.5	-167.8	-34.1	0	0	0	110	F72 F76 P77 C107 V109	F72-N74 PolarHBondContact O-N 3.3Å; N74-F76 PolarHBondContact O-N 3.09Å; N74-F76 PolarHBondContact OD1-N 3.37Å; N74-F76 PolarHBondContact OD1-O 3.01Å; N74-P77 WeakPolarHBondContact O-CD 3.42Å; N74-C107 HydrophobicContact CB-CB 3.91Å; N74-C107 WeakPolarHBondContact CB-O 3.49Å; N74-C107 PolarHBondContact N-O 3.06Å; N74-V109 HydrophobicContact CB-CG2 4.12Å
75	D	93.5	Very high	87.1	Confident	42 Å²	42	71.5 Å²	71.5	23%	0.225	37%	0.367	C	S	.	.	S	Bend	trans	-65.2	-20.6	179.6	-64	-28.8	0	0	0	112	R57 S59 V73	R57-D75 WeakPolarHBondContact CB-OD2 3.34Å; R57-D75 IonicContact CZ-OD1 3.03Å; R57-D75 IonicContact NE-OD1 3.13Å; R57-D75 PolarHBondContact NE-OD1 3.41Å; R57-D75 IonicContact NE-OD2 3.5Å; R57-D75 PolarHBondContact NE-OD2 2.72Å; R57-D75 IonicContact NH2-OD1 3.62Å; R57-D75 PolarHBondContact NH2-OD1 3.39Å; S59-D75 VanDerWaalsContact CB-CG 3.45Å; S59-D75 WeakPolarHBondContact CB-OD1 3.41Å; S59-D75 PolarHBondContact N-OD2 3.26Å; S59-D75 PolarHBondContact OG-OD1 3.29Å; S59-D75 PolarHBondContact OG-OD2 3.08Å; V73-D75 PolarHBondContact O-N 3.23Å
76	F	92.3	Very high	85.9	Confident	149 Å²	149	74.5 Å²	74.5	65%	0.654	38%	0.377	S	S	*	.	S	Bend	trans	-127.3	73	176.8	-54.3	-78.6	0	0	0	110.2	N74	N74-F76 PolarHBondContact O-N 3.09Å; N74-F76 PolarHBondContact OD1-N 3.37Å; N74-F76 PolarHBondContact OD1-O 3.01Å
77	P	92.4	Very high	84.5	Confident	55 Å²	55	77.1 Å²	77.1	36%	0.357	40%	0.403	S	S	.	.			trans	-70.7	136.3	-174.6	30.1	-33.9	0	0	0	111.4	N74 L79 C107	N74-P77 WeakPolarHBondContact O-CD 3.42Å; P77-L79 VanDerWaalsContact C-N 3.27Å; P77-C107 HydrophobicContact CB-CB 4.13Å
78	A	91.7	Very high	83.4	Confident	59 Å²	59	76 Å²	76	49%	0.488	40%	0.4	S	S	.	.	S	Bend	trans	-78.7	-12.3	172.8	0	0	0	0	0	113.1	C107 W171	A78-C107 PolarHBondContact N-SG 2.89Å; A78-C107 VanDerWaalsContact N-SG 3.44Å; A78-W171 HydrophobicContact CB-CH2 3.78Å; A78-W171 HydrophobicContact CB-CZ2 4.17Å; A78-W171 HydrophobicContact CB-CZ3 3.98Å
79	L	89.9	Confident	82.3	Confident	16 Å²	16	73.1 Å²	73.1	8%	0.084	39%	0.387	C	S	.	.			trans	-124.2	98.7	-175.6	-57.7	171.5	0	0	0	108.9	P77 A103 W171 T173	P77-L79 VanDerWaalsContact C-N 3.27Å; L79-A103 HydrophobicContact CD2-CB 4.08Å; L79-W171 HydrophobicContact CD1-CB 4.19Å; L79-T173 HydrophobicContact CD1-CG2 3.57Å; L79-T173 HydrophobicContact CD2-CG2 4.13Å
80	D	78.8	Confident	81.1	Confident	100 Å²	100	75.9 Å²	75.9	54%	0.535	40%	0.397	S	S	.	.			trans	-134.9	8.6	-173.7	74.4	-14.8	0	0	0	114	R82	D80-R82 PolarHBondContact O-N 3.19Å
81	G	61.2	Low	79.7	Confident	5 Å²	5	81.7 Å²	81.7	5%	0.052	43%	0.425	C	S	.	.			trans	-58.8	16.5	-160.4	0	0	0	0	0	118.8	T83 I84 A103 L104	G81-T83 PolarHBondContact O-N 2.99Å; G81-I84 PolarHBondContact O-N 2.81Å; G81-A103 PolarHBondContact N-O 2.77Å; G81-L104 VanDerWaalsContact C-CD2 3.42Å; G81-L104 WeakPolarHBondContact O-CD2 3.48Å
82	R	67.6	Low	78.4	Confident	203 Å²	203	78.5 Å²	78.5	77%	0.766	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-16	171.6	-58.7	179.1	-178.8	177.6	-0.6	113.8	D80	D80-R82 PolarHBondContact O-N 3.19Å
83	T	66.3	Low	77.2	Confident	116 Å²	116	82.6 Å²	82.6	71%	0.712	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-10.2	177.7	51	0	0	0	0	113.7	G81	G81-T83 PolarHBondContact O-N 2.99Å
84	I	67.9	Low	76.3	Confident	66 Å²	66	86 Å²	86	34%	0.338	45%	0.445	S	S	.	.			trans	-84	124.8	-178.1	-61.8	169.6	0	0	0	109.8	G81 N88 I89 P102	G81-I84 PolarHBondContact O-N 2.81Å; I84-N88 HydrophobicContact CG2-CB 4Å; I84-I89 HydrophobicContact CG2-CD1 4.32Å; I84-I89 HydrophobicContact CG2-CG1 3.8Å; I84-P102 HydrophobicContact CB-CB 4.16Å; I84-P102 HydrophobicContact CD1-CB 3.62Å; I84-P102 HydrophobicContact CG1-CB 4.46Å; I84-P102 HydrophobicContact CG2-CB 4.25Å
85	T	68.1	Low	75.7	Confident	75 Å²	75	87.4 Å²	87.4	46%	0.46	45%	0.453	S	S	.	.			trans	-85.5	158.5	179.1	71.2	0	0	0	0	111.9	A87 N88 I89	T85-A87 PolarHBondContact O-N 2.87Å; T85-N88 PolarHBondContact N-OD1 2.73Å; T85-N88 PolarHBondContact O-N 2.91Å; T85-N88 VanDerWaalsContact O-N 3.09Å; T85-N88 VanDerWaalsContact OG1-CG 3.31Å; T85-N88 PolarHBondContact OG1-N 3.21Å; T85-N88 PolarHBondContact OG1-OD1 2.85Å; T85-I89 PolarHBondContact O-N 3.19Å
86	E	69.6	Low	75.5	Confident	173 Å²	173	90.2 Å²	90.2	81%	0.808	47%	0.473	S	S	*	.	H	α-helix	trans	-56.1	-36.2	175.2	-69.3	-178.1	168.5	0	0	112.6	N88 I89 E90	E86-N88 VanDerWaalsContact C-N 3.32Å; E86-N88 PolarHBondContact O-N 2.9Å; E86-I89 WeakPolarHBondContact O-CB 3.48Å; E86-I89 PolarHBondContact O-N 3.33Å; E86-I89 VanDerWaalsContact O-N 3.12Å; E86-E90 PolarHBondContact O-N 2.89Å
87	A	68.8	Low	75.4	Confident	72 Å²	72	90 Å²	90	60%	0.595	48%	0.478	S	S	*	.	H	α-helix	trans	-60.1	-41.3	176.9	0	0	0	0	0	112.1	T85 I89	T85-A87 PolarHBondContact O-N 2.87Å; A87-I89 VanDerWaalsContact C-N 3.26Å; A87-I89 PolarHBondContact O-N 3.1Å
88	N	69.4	Low	75.2	Confident	84 Å²	84	94.6 Å²	94.6	45%	0.449	49%	0.493	S	S	.	.	H	α-helix	trans	-67.1	-29.7	177.6	-56.9	127.6	0	0	0	112.5	I84 T85 E86	I84-N88 HydrophobicContact CG2-CB 4Å; T85-N88 PolarHBondContact N-OD1 2.73Å; T85-N88 PolarHBondContact O-N 2.91Å; T85-N88 VanDerWaalsContact O-N 3.09Å; T85-N88 VanDerWaalsContact OG1-CG 3.31Å; T85-N88 PolarHBondContact OG1-N 3.21Å; T85-N88 PolarHBondContact OG1-OD1 2.85Å; E86-N88 VanDerWaalsContact C-N 3.32Å; E86-N88 PolarHBondContact O-N 2.9Å
89	I	70.6	Confident	74.9	Confident	38 Å²	38	99.8 Å²	99.8	20%	0.195	50%	0.5	C	S	.	.	H	α-helix	trans	-73.7	-42.1	-178.1	-63.8	172.9	0	0	0	110.7	I84 T85 E86 A87 A92 K93 P102	I84-I89 HydrophobicContact CG2-CD1 4.32Å; I84-I89 HydrophobicContact CG2-CG1 3.8Å; T85-I89 PolarHBondContact O-N 3.19Å; E86-I89 WeakPolarHBondContact O-CB 3.48Å; E86-I89 PolarHBondContact O-N 3.33Å; E86-I89 VanDerWaalsContact O-N 3.12Å; A87-I89 VanDerWaalsContact C-N 3.26Å; A87-I89 PolarHBondContact O-N 3.1Å; I89-A92 PolarHBondContact O-N 3.2Å; I89-K93 HydrophobicContact CG2-CD 4.18Å; I89-K93 VanDerWaalsContact CG2-CE 3.47Å; I89-K93 HydrophobicContact CG2-CG 4.47Å; I89-K93 WeakPolarHBondContact O-CG 3.41Å; I89-K93 PolarHBondContact O-N 3.45Å; I89-P102 HydrophobicContact CD1-CG 3.83Å; I89-P102 HydrophobicContact CG1-CG 4.29Å
90	E	72.2	Confident	74.6	Confident	95 Å²	95	103.1 Å²	103.1	44%	0.444	52%	0.521	S	S	.	.	H	α-helix	trans	-70.5	-41.2	-173.2	-165.5	55.6	-150	0	0	112.4	E86 A92 K93	E86-E90 PolarHBondContact O-N 2.89Å; E90-A92 VanDerWaalsContact C-N 3.32Å; E90-A92 PolarHBondContact O-N 3.26Å; E90-K93 PolarHBondContact O-N 2.98Å; E90-K93 IonicContact OE2-NZ 3.94Å; E90-K93 PolarHBondContact OE2-NZ 3.13Å
91	E	68	Low	74.8	Confident	158 Å²	158	105.4 Å²	105.4	74%	0.738	53%	0.529	S	S	*	.	H	α-helix	trans	-58.5	-44.4	174.2	-172.5	176.2	-169.4	0	0	111.4	K93	E91-K93 VanDerWaalsContact C-N 3.3Å; E91-K93 PolarHBondContact O-N 2.97Å
92	A	70.2	Confident	76	Confident	17 Å²	17	106.5 Å²	106.5	14%	0.14	54%	0.535	C	S	.	.	H	α-helix	trans	-73.5	-15.3	-178.1	0	0	0	0	0	114.6	I89 E90 R99	I89-A92 PolarHBondContact O-N 3.2Å; E90-A92 VanDerWaalsContact C-N 3.32Å; E90-A92 PolarHBondContact O-N 3.26Å; A92-R99 WeakPolarHBondContact O-CA 3.4Å
93	K	72.6	Confident	77.1	Confident	103 Å²	103	98.6 Å²	98.6	45%	0.448	51%	0.513	S	S	.	.	H	α-helix	trans	-78.5	-29.8	179.9	-83.7	171.9	-179.3	165.6	0	113.4	I89 E90 E91	I89-K93 HydrophobicContact CG2-CD 4.18Å; I89-K93 VanDerWaalsContact CG2-CE 3.47Å; I89-K93 HydrophobicContact CG2-CG 4.47Å; I89-K93 WeakPolarHBondContact O-CG 3.41Å; I89-K93 PolarHBondContact O-N 3.45Å; E90-K93 PolarHBondContact O-N 2.98Å; E90-K93 IonicContact OE2-NZ 3.94Å; E90-K93 PolarHBondContact OE2-NZ 3.13Å; E91-K93 VanDerWaalsContact C-N 3.3Å; E91-K93 PolarHBondContact O-N 2.97Å
94	Q	75	Confident	78.3	Confident	149 Å²	149	95.8 Å²	95.8	70%	0.696	49%	0.493	S	S	*	.	H	α-helix	trans	-85.1	-19.7	-169.7	-61.4	-162.7	4.7	0	0	113.6
95	D	83.8	Confident	79.6	Confident	60 Å²	60	93 Å²	93	32%	0.321	48%	0.481	S	S	.	.			trans	-75	129.8	177.7	-163	-61	0	0	0	111	L97 F98 R99	D95-L97 VanDerWaalsContact C-N 3.35Å; D95-L97 WeakPolarHBondContact OD1-CA 3.37Å; D95-L97 PolarHBondContact OD1-N 2.83Å; D95-F98 HydrophobicContact CB-CB 4.32Å; D95-F98 PolarHBondContact OD1-N 2.95Å; D95-R99 WeakPolarHBondContact O-CD 3.2Å; D95-R99 WeakPolarHBondContact O-CG 3.41Å; D95-R99 PolarHBondContact O-NE 2.77Å
96	P	88.3	Confident	80.9	Confident	101 Å²	101	90.2 Å²	90.2	66%	0.656	46%	0.464	S	S	*	.	S	Bend	trans	-75.1	-18.6	176.8	29	-34	0	0	0	114.5
97	L	91.8	Very high	82.2	Confident	144 Å²	144	82 Å²	82	75%	0.754	43%	0.425	S	S	*	.	S	Bend	trans	-109.9	-40.4	-175.9	-62.9	176.5	0	0	0	112.6	D95	D95-L97 VanDerWaalsContact C-N 3.35Å; D95-L97 WeakPolarHBondContact OD1-CA 3.37Å; D95-L97 PolarHBondContact OD1-N 2.83Å
98	F	86.6	Confident	83.6	Confident	152 Å²	152	80 Å²	80	67%	0.667	40%	0.402	S	S	*	.	S	Bend	trans	-107.4	55.6	-172.3	-59.2	-78.7	0	0	0	112.3	D95	D95-F98 HydrophobicContact CB-CB 4.32Å; D95-F98 PolarHBondContact OD1-N 2.95Å
99	R	85.3	Confident	84.9	Confident	168 Å²	168	76.4 Å²	76.4	63%	0.634	38%	0.384	S	S	*	.			trans	-80.4	132.6	180	-65.7	-174.5	176.9	179.4	-1.3	112.2	A92 D95	A92-R99 WeakPolarHBondContact O-CA 3.4Å; D95-R99 WeakPolarHBondContact O-CD 3.2Å; D95-R99 WeakPolarHBondContact O-CG 3.41Å; D95-R99 PolarHBondContact O-NE 2.77Å
100	T	83.8	Confident	86.2	Confident	87 Å²	87	74.6 Å²	74.6	53%	0.534	37%	0.374	S	S	.	.			trans	-129.9	144.6	173.8	-55.9	0	0	0	0	110.2
101	Q	84.3	Confident	87.5	Confident	148 Å²	148	70.1 Å²	70.1	69%	0.692	35%	0.353	S	S	*	.			trans	-139.3	149.5	174.6	-66.8	-176.4	-12.6	0	0	109.4	A103	Q101-A103 PolarHBondContact O-N 3.23Å
102	P	86.4	Confident	88.9	Confident	28 Å²	28	62.8 Å²	62.8	18%	0.182	32%	0.319	C	S	.	.			trans	-70.7	130.8	-179.9	30.1	-36	0	0	0	111.5	I84 I89 L104	I84-P102 HydrophobicContact CB-CB 4.16Å; I84-P102 HydrophobicContact CD1-CB 3.62Å; I84-P102 HydrophobicContact CG1-CB 4.46Å; I84-P102 HydrophobicContact CG2-CB 4.25Å; I89-P102 HydrophobicContact CD1-CG 3.83Å; I89-P102 HydrophobicContact CG1-CG 4.29Å; P102-L104 VanDerWaalsContact C-N 3.3Å; P102-L104 HydrophobicContact CB-CD2 4.34Å; P102-L104 HydrophobicContact CB-CG 4.09Å; P102-L104 HydrophobicContact CG-CD1 4.49Å; P102-L104 HydrophobicContact CG-CG 4.34Å; P102-L104 PolarHBondContact O-N 3.18Å
103	A	89.6	Confident	90.1	Very high	37 Å²	37	63 Å²	63	31%	0.306	32%	0.317	S	S	.	.			trans	-82.3	74.6	173	0	0	0	0	0	110.6	L79 G81 Q101 Y175	L79-A103 HydrophobicContact CD2-CB 4.08Å; G81-A103 PolarHBondContact N-O 2.77Å; Q101-A103 PolarHBondContact O-N 3.23Å; A103-Y175 HydrophobicContact CB-CE1 4.48Å
104	L	91.8	Very high	91.1	Very high	56 Å²	56	62.5 Å²	62.5	29%	0.293	31%	0.312	S	S	.	.			trans	-80.5	123.1	179.5	-62.3	178.9	0	0	0	111.2	G81 P102 T173 K174	G81-L104 VanDerWaalsContact C-CD2 3.42Å; G81-L104 WeakPolarHBondContact O-CD2 3.48Å; P102-L104 VanDerWaalsContact C-N 3.3Å; P102-L104 HydrophobicContact CB-CD2 4.34Å; P102-L104 HydrophobicContact CB-CG 4.09Å; P102-L104 HydrophobicContact CG-CD1 4.49Å; P102-L104 HydrophobicContact CG-CG 4.34Å; P102-L104 PolarHBondContact O-N 3.18Å; L104-T173 WeakPolarHBondContact O-CA 3.46Å; L104-K174 HydrophobicContact CB-CB 4.21Å; L104-K174 HydrophobicContact CB-CD 4.21Å; L104-K174 HydrophobicContact CB-CG 4.21Å; L104-K174 HydrophobicContact CD1-CD 4.33Å; L104-K174 PolarHBondContact O-N 3.02Å
105	G	95.1	Very high	91.9	Very high	9 Å²	9	57.6 Å²	57.6	9%	0.093	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	-166.1	-177.5	0	0	0	0	0	115.1	A172	G105-A172 CarbonylContact C-O 3.56Å; G105-A172 WeakPolarHBondContact CA-O 3.37Å
106	V	96.1	Very high	92.3	Very high	16 Å²	16	55 Å²	55	10%	0.097	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	142.1	168.7	62.2	0	0	0	0	109.3	V73 R108 L142 Y146 W171 A172	V73-V106 HydrophobicContact CG1-CG2 4.44Å; V106-R108 HydrophobicContact CG2-CG 4.36Å; V106-L142 HydrophobicContact CG1-CD2 3.65Å; V106-Y146 HydrophobicContact CG1-CD2 4.5Å; V106-Y146 HydrophobicContact CG1-CE1 4.28Å; V106-Y146 HydrophobicContact CG1-CE2 3.76Å; V106-W171 WeakPolarHBondContact O-CA 3.21Å; V106-A172 HydrophobicContact CG1-CB 4Å; V106-A172 PolarHBondContact N-O 2.72Å; V106-A172 PolarHBondContact O-N 2.9Å
107	C	97.5	Very high	92.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.4	173.1	-61.3	0	0	0	0	109.2	N74 P77 A78 V170 W171	N74-C107 HydrophobicContact CB-CB 3.91Å; N74-C107 WeakPolarHBondContact CB-O 3.49Å; N74-C107 PolarHBondContact N-O 3.06Å; P77-C107 HydrophobicContact CB-CB 4.13Å; A78-C107 PolarHBondContact N-SG 2.89Å; A78-C107 VanDerWaalsContact N-SG 3.44Å; C107-V170 CarbonylContact C-O 3.6Å; C107-W171 HydrophobicContact CB-CG 4.37Å
108	R	97.5	Very high	92.2	Very high	30 Å²	30	50.1 Å²	50.1	11%	0.113	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	149.4	174.4	-63.6	179.4	178.9	179.1	-1.1	110.3	W71 F72 V106 Q169 V170	W71-R108 HydrophobicContact CE3-CG 4.22Å; W71-R108 HydrophobicContact CZ3-CG 4.35Å; F72-R108 CarbonylContact O-C 3.49Å; F72-R108 VanDerWaalsContact O-CA 3.24Å; F72-R108 WeakPolarHBondContact O-CA 3.34Å; V106-R108 HydrophobicContact CG2-CG 4.36Å; R108-Q169 CarbonylContact O-C 3.56Å; R108-Q169 VanDerWaalsContact O-CA 3.27Å; R108-Q169 WeakPolarHBondContact O-CA 3.26Å; R108-V170 HydrophobicContact CB-CB 4.41Å; R108-V170 PolarHBondContact N-O 3.19Å; R108-V170 PolarHBondContact O-N 3.49Å
109	V	97.4	Very high	92.4	Very high	9 Å²	9	44.8 Å²	44.8	6%	0.055	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	136.8	170.5	177.6	0	0	0	0	108.1	L51 W71 F72 N74 H167	L51-V109 HydrophobicContact CD2-CG1 4.05Å; W71-V109 WeakPolarHBondContact CA-O 3.22Å; F72-V109 HydrophobicContact CD1-CB 4.3Å; F72-V109 HydrophobicContact CE1-CB 3.71Å; F72-V109 HydrophobicContact CE1-CG1 3.76Å; F72-V109 HydrophobicContact CE2-CB 4.05Å; F72-V109 HydrophobicContact CE2-CG2 4.14Å; F72-V109 HydrophobicContact CZ-CB 3.55Å; F72-V109 HydrophobicContact CZ-CG1 3.75Å; F72-V109 HydrophobicContact CZ-CG2 3.95Å; F72-V109 PolarHBondContact N-O 3.13Å; F72-V109 VanDerWaalsContact N-O 3.12Å; F72-V109 PolarHBondContact O-N 3.16Å; N74-V109 HydrophobicContact CB-CG2 4.12Å; V109-H167 HydrophobicContact CG1-CB 4.43Å
110	L	97.9	Very high	92.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	104	178.4	-49.3	-173.5	0	0	0	109.7	F70 W71 Y112 Q138 H167 G168 V170	F70-L110 CarbonylContact O-C 3.59Å; W71-L110 HydrophobicContact CB-CD2 3.36Å; W71-L110 HydrophobicContact CG-CD2 4.31Å; L110-Y112 HydrophobicContact CB-CD1 4.43Å; L110-Y112 HydrophobicContact CB-CE1 4.07Å; L110-Q138 HydrophobicContact CD1-CG 4.1Å; L110-Q138 HydrophobicContact CD2-CG 3.68Å; L110-H167 CarbonylContact O-C 3.59Å; L110-H167 WeakPolarHBondContact O-CA 3.39Å; L110-H167 VanDerWaalsContact O-CB 3.23Å; L110-H167 WeakPolarHBondContact O-CB 3.4Å; L110-G168 PolarHBondContact N-O 2.88Å; L110-G168 PolarHBondContact O-N 3.03Å; L110-V170 HydrophobicContact CD1-CG2 3.47Å; L110-V170 VanDerWaalsContact CD1-CG2 3.47Å; L110-V170 HydrophobicContact CD2-CG2 4.06Å; L110-V170 HydrophobicContact CG-CG2 3.82Å
111	C	97.5	Very high	93.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	126.6	167.3	-57.6	0	0	0	0	109	Y66 T69 F70	Y66-C111 HydrophobicContact CE2-CB 4.18Å; T69-C111 CarbonylContact C-O 3.52Å; T69-C111 VanDerWaalsContact CA-O 3.22Å; T69-C111 WeakPolarHBondContact CA-O 3.39Å; F70-C111 HydrophobicContact CB-CB 4.33Å; F70-C111 PolarHBondContact N-O 2.95Å; F70-C111 PolarHBondContact O-N 3.26Å
112	Y	97.6	Very high	93.8	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.016	16%	0.159	C	C	.	.			trans	-85.6	-26.9	-175.4	-62.6	-30.1	0	0	0	113.1	L110 F120 V131 W135 E153 P166 G168	L110-Y112 HydrophobicContact CB-CD1 4.43Å; L110-Y112 HydrophobicContact CB-CE1 4.07Å; Y112-F120 AromaticContact CD2-CE2 3.67Å; Y112-F120 HydrophobicContact CD2-CE2 3.67Å; Y112-F120 AromaticContact CD2-CZ 3.87Å; Y112-F120 HydrophobicContact CD2-CZ 3.87Å; Y112-F120 AromaticContact CE2-CE2 3.43Å; Y112-F120 HydrophobicContact CE2-CE2 3.43Å; Y112-F120 VanDerWaalsContact CE2-CE2 3.43Å; Y112-F120 AromaticContact CE2-CZ 3.73Å; Y112-F120 HydrophobicContact CE2-CZ 3.73Å; Y112-F120 HydrophobicContact CG-CZ 4.39Å; Y112-V131 HydrophobicContact CD1-CB 4.4Å; Y112-V131 HydrophobicContact CD1-CG1 3.36Å; Y112-V131 HydrophobicContact CD1-CG2 4.16Å; Y112-V131 HydrophobicContact CE1-CG1 3.56Å; Y112-V131 HydrophobicContact CG-CG1 3.92Å; Y112-V131 HydrophobicContact CG-CG2 4.13Å; Y112-W135 HydrophobicContact CE1-CZ2 4.34Å; Y112-W135 AromaticContact CE1-NE1 3.57Å; Y112-W135 AromaticContact CZ-NE1 3.95Å; Y112-E153 HydrophobicContact CE2-CB 4.46Å; Y112-E153 HydrophobicContact CE2-CG 4.37Å; Y112-P166 HydrophobicContact CD2-CB 4.46Å; Y112-P166 PolarHBondContact N-O 3.24Å; Y112-G168 VanDerWaalsContact OH-CA 3.25Å; Y112-G168 WeakPolarHBondContact OH-CA 3.34Å; Y112-G168 PolarHBondContact OH-N 2.99Å
113	H	96.1	Very high	94.3	Very high	22 Å²	22	28.3 Å²	28.3	10%	0.102	15%	0.152	C	C	.	.			trans	-160.1	146.8	-177.3	-172.1	-88.8	0	0	0	111.6	Q68 C115 K118 M123 E127 H165 P166	Q68-H113 WeakPolarHBondContact O-CA 3.49Å; H113-C115 VanDerWaalsContact C-N 3.3Å; H113-C115 VanDerWaalsContact CE1-CB 3.46Å; H113-C115 WeakPolarHBondContact CE1-CB 3.46Å; H113-C115 VanDerWaalsContact ND1-CB 3.34Å; H113-C115 WeakPolarHBondContact ND1-CB 3.41Å; H113-C115 PolarHBondContact ND1-N 3.43Å; H113-C115 PolarHBondContact ND1-O 2.87Å; H113-C115 PolarHBondContact O-N 3Å; H113-K118 HydrophobicContact CB-CB 4.13Å; H113-K118 WeakPolarHBondContact ND1-CB 3.32Å; H113-M123 HydrophobicContact CB-CE 3.48Å; H113-M123 VanDerWaalsContact CB-CE 3.48Å; H113-E127 IonicContact CD2-OE1 2.64Å; H113-E127 IonicContact NE2-OE1 2.91Å; H113-E127 PolarHBondContact NE2-OE1 2.93Å; H113-H165 PolarHBondContact O-CE1 2.98Å; H113-H165 PolarHBondContact O-NE2 2.98Å; H113-P166 HydrophobicContact CB-CG 4.21Å
114	R	94.5	Very high	94.7	Very high	93 Å²	93	29.2 Å²	29.2	35%	0.351	16%	0.156	S	C	.	.	S	Bend	trans	-59.4	-36.2	-179.9	71.4	178.9	-56.9	-173.7	10	114.5	P53 D65 Y66 E67	P53-R114 HydrophobicContact CG-CB 3.75Å; D65-R114 IonicContact OD1-NH2 3.34Å; D65-R114 PolarHBondContact OD1-NH2 2.95Å; Y66-R114 HydrophobicContact CD2-CB 4.36Å; Y66-R114 HydrophobicContact CE2-CB 4.1Å; Y66-R114 WeakPolarHBondContact O-CB 3.35Å; E67-R114 IonicContact OE1-CZ 3.95Å; E67-R114 VanDerWaalsContact OE1-CZ 3.24Å; E67-R114 IonicContact OE1-NH1 3.4Å; E67-R114 PolarHBondContact OE1-NH1 3.34Å; E67-R114 IonicContact OE1-NH2 3.64Å; E67-R114 PolarHBondContact OE1-NH2 3.43Å; E67-R114 IonicContact OE2-CZ 2.64Å; E67-R114 IonicContact OE2-NE 3.41Å; E67-R114 IonicContact OE2-NH1 2.82Å; E67-R114 PolarHBondContact OE2-NH1 2.8Å
115	C	91.9	Very high	95	Very high	46 Å²	46	28.7 Å²	28.7	31%	0.311	16%	0.155	S	C	.	.	S	Bend	trans	-86.9	123.5	179.4	-177.7	0	0	0	0	111.1	H113 E117 K118	H113-C115 VanDerWaalsContact C-N 3.3Å; H113-C115 VanDerWaalsContact CE1-CB 3.46Å; H113-C115 WeakPolarHBondContact CE1-CB 3.46Å; H113-C115 VanDerWaalsContact ND1-CB 3.34Å; H113-C115 WeakPolarHBondContact ND1-CB 3.41Å; H113-C115 PolarHBondContact ND1-N 3.43Å; H113-C115 PolarHBondContact ND1-O 2.87Å; H113-C115 PolarHBondContact O-N 3Å; C115-E117 PolarHBondContact O-N 2.85Å; C115-E117 VanDerWaalsContact O-N 3.15Å; C115-K118 HydrophobicContact CB-CB 4.45Å; C115-K118 HydrophobicContact CB-CG 4.01Å; C115-K118 PolarHBondContact O-N 3Å
116	S	90.6	Very high	95.1	Very high	5 Å²	5	32.5 Å²	32.5	4%	0.035	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-12.8	179.8	-55.3	0	0	0	0	115.1	Q52 H165	Q52-S116 PolarHBondContact NE2-OG 2.87Å; S116-H165 PolarHBondContact OG-ND1 2.95Å
117	E	87.1	Confident	95.2	Very high	76 Å²	76	33.2 Å²	33.2	36%	0.355	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-12.9	179	-55.4	-174.4	145.5	0	0	113.2	P42 R43 C115 H119 S122	P42-E117 HydrophobicContact CB-CG 3.9Å; P42-E117 HydrophobicContact CG-CB 4.45Å; P42-E117 HydrophobicContact CG-CG 3.83Å; R43-E117 WeakPolarHBondContact CD-OE1 3.33Å; R43-E117 HydrophobicContact CG-CG 4.39Å; R43-E117 WeakPolarHBondContact CG-OE1 3.41Å; R43-E117 IonicContact CZ-OE1 3.84Å; R43-E117 IonicContact NE-OE1 2.93Å; R43-E117 PolarHBondContact NE-OE1 3.02Å; C115-E117 PolarHBondContact O-N 2.85Å; C115-E117 VanDerWaalsContact O-N 3.15Å; E117-H119 PolarHBondContact O-N 3.47Å; E117-S122 PolarHBondContact O-OG 3.1Å
118	K	91	Very high	95.2	Very high	66 Å²	66	33.2 Å²	33.2	29%	0.287	18%	0.176	S	C	.	.			trans	-87.5	93.5	-177.4	-73.6	-70.2	-164.2	160.4	0	109.6	H113 C115 S122 M123 E127 P166	H113-K118 HydrophobicContact CB-CB 4.13Å; H113-K118 WeakPolarHBondContact ND1-CB 3.32Å; C115-K118 HydrophobicContact CB-CB 4.45Å; C115-K118 HydrophobicContact CB-CG 4.01Å; C115-K118 PolarHBondContact O-N 3Å; K118-S122 WeakPolarHBondContact CA-OG 3.44Å; K118-S122 PolarHBondContact NZ-O 3.44Å; K118-M123 HydrophobicContact CB-CE 4.29Å; K118-M123 HydrophobicContact CB-CG 4.19Å; K118-M123 WeakPolarHBondContact O-CE 3.34Å; K118-E127 IonicContact NZ-OE2 3.22Å; K118-P166 WeakPolarHBondContact O-CB 3.39Å; K118-P166 WeakPolarHBondContact O-CG 3.26Å
119	H	91.5	Very high	95.3	Very high	40 Å²	40	32.5 Å²	32.5	19%	0.185	18%	0.176	C	C	.	.			trans	-95.2	165.9	166.7	-60.7	-78	0	0	0	109.4	E117 A121 S122 M123 I164	E117-H119 PolarHBondContact O-N 3.47Å; H119-A121 PolarHBondContact O-N 2.85Å; H119-S122 PolarHBondContact N-OG 3.05Å; H119-S122 VanDerWaalsContact N-OG 3.16Å; H119-S122 CarbonylContact O-C 3.52Å; H119-S122 WeakPolarHBondContact O-CA 3.28Å; H119-S122 PolarHBondContact O-N 3.3Å; H119-S122 PolarHBondContact O-OG 3.47Å; H119-M123 WeakPolarHBondContact O-CG 3.41Å; H119-M123 PolarHBondContact O-N 3.24Å; H119-I164 PolarHBondContact CE1-O 3.39Å
120	F	95.2	Very high	95.3	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.018	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49	-36.2	-179.7	-72.8	-77.7	0	0	0	114.2	Y112 S122 M123 I128 V131 W135 E153 L264	Y112-F120 AromaticContact CD2-CE2 3.67Å; Y112-F120 HydrophobicContact CD2-CE2 3.67Å; Y112-F120 AromaticContact CD2-CZ 3.87Å; Y112-F120 HydrophobicContact CD2-CZ 3.87Å; Y112-F120 AromaticContact CE2-CE2 3.43Å; Y112-F120 HydrophobicContact CE2-CE2 3.43Å; Y112-F120 VanDerWaalsContact CE2-CE2 3.43Å; Y112-F120 AromaticContact CE2-CZ 3.73Å; Y112-F120 HydrophobicContact CE2-CZ 3.73Å; Y112-F120 HydrophobicContact CG-CZ 4.39Å; F120-S122 PolarHBondContact O-N 2.76Å; F120-M123 PolarHBondContact O-N 3.03Å; F120-I128 HydrophobicContact CD1-CB 4.34Å; F120-I128 HydrophobicContact CD1-CD1 4.22Å; F120-I128 HydrophobicContact CD1-CG1 3.89Å; F120-I128 HydrophobicContact CD1-CG2 3.75Å; F120-I128 HydrophobicContact CE1-CG2 3.88Å; F120-I128 WeakPolarHBondContact O-CD1 3.46Å; F120-V131 HydrophobicContact CE1-CB 4.14Å; F120-V131 HydrophobicContact CE1-CG1 3.91Å; F120-V131 HydrophobicContact CE1-CG2 4.37Å; F120-V131 HydrophobicContact CZ-CB 4.45Å; F120-V131 HydrophobicContact CZ-CG1 3.74Å; F120-W135 HydrophobicContact CE1-CH2 4.19Å; F120-W135 HydrophobicContact CE1-CZ2 4.44Å; F120-W135 AromaticContact CZ-CH2 3.79Å; F120-W135 HydrophobicContact CZ-CH2 3.79Å; F120-W135 AromaticContact CZ-CZ2 3.7Å; F120-W135 HydrophobicContact CZ-CZ2 3.7Å; F120-E153 WeakPolarHBondContact CE2-OE2 3.46Å; F120-L264 HydrophobicContact CB-CB 4.26Å; F120-L264 HydrophobicContact CB-CD1 3.26Å; F120-L264 HydrophobicContact CB-CG 4.32Å; F120-L264 HydrophobicContact CD2-CD1 3.67Å; F120-L264 HydrophobicContact CG-CD1 3.62Å
121	A	93.6	Very high	95.3	Very high	16 Å²	16	35.8 Å²	35.8	13%	0.132	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-26.2	177.3	0	0	0	0	0	113.9	H119 L264 R265 D268	H119-A121 PolarHBondContact O-N 2.85Å; A121-L264 HydrophobicContact CB-CB 4.35Å; A121-R265 HydrophobicContact CB-CG 4.09Å; A121-R265 VanDerWaalsContact O-CG 3.26Å; A121-R265 WeakPolarHBondContact O-CG 3.36Å; A121-D268 WeakPolarHBondContact CB-OD2 3.33Å
122	S	94.3	Very high	95.4	Very high	58 Å²	58	35.8 Å²	35.8	41%	0.406	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-0.4	-178.6	65.6	0	0	0	0	114.5	E117 K118 H119 F120	E117-S122 PolarHBondContact O-OG 3.1Å; K118-S122 WeakPolarHBondContact CA-OG 3.44Å; K118-S122 PolarHBondContact NZ-O 3.44Å; H119-S122 PolarHBondContact N-OG 3.05Å; H119-S122 VanDerWaalsContact N-OG 3.16Å; H119-S122 CarbonylContact O-C 3.52Å; H119-S122 WeakPolarHBondContact O-CA 3.28Å; H119-S122 PolarHBondContact O-N 3.3Å; H119-S122 PolarHBondContact O-OG 3.47Å; F120-S122 PolarHBondContact O-N 2.76Å
123	M	96.7	Very high	95.4	Very high	8 Å²	8	39 Å²	39	4%	0.039	21%	0.205	C	C	.	.	S	Bend	trans	-80.4	146.8	170.9	-73.3	-179.5	-169.8	0	0	111	H113 K118 H119 F120 E127 I128 V131 P166	H113-M123 HydrophobicContact CB-CE 3.48Å; H113-M123 VanDerWaalsContact CB-CE 3.48Å; K118-M123 HydrophobicContact CB-CE 4.29Å; K118-M123 HydrophobicContact CB-CG 4.19Å; K118-M123 WeakPolarHBondContact O-CE 3.34Å; H119-M123 WeakPolarHBondContact O-CG 3.41Å; H119-M123 PolarHBondContact O-N 3.24Å; F120-M123 PolarHBondContact O-N 3.03Å; M123-E127 VanDerWaalsContact CA-OE2 3.31Å; M123-E127 WeakPolarHBondContact CA-OE2 3.42Å; M123-E127 HydrophobicContact CB-CB 3.9Å; M123-E127 HydrophobicContact CG-CB 4.14Å; M123-E127 HydrophobicContact SD-CB 4.37Å; M123-I128 HydrophobicContact CB-CD1 4.16Å; M123-I128 HydrophobicContact CB-CG1 3.59Å; M123-I128 HydrophobicContact SD-CG1 4.21Å; M123-V131 HydrophobicContact SD-CG2 4.47Å; M123-P166 HydrophobicContact CE-CB 4.3Å
124	S	97.3	Very high	95.5	Very high	56 Å²	56	38.1 Å²	38.1	39%	0.392	20%	0.201	S	C	.	.			trans	-68.1	158.9	165.3	61.1	0	0	0	0	111.1	D126 E127 I128	S124-D126 PolarHBondContact O-N 2.98Å; S124-E127 PolarHBondContact N-OE2 3.42Å; S124-E127 WeakPolarHBondContact O-CB 3.44Å; S124-E127 PolarHBondContact O-N 2.9Å; S124-E127 WeakPolarHBondContact OG-CB 3.31Å; S124-E127 VanDerWaalsContact OG-CD 3.27Å; S124-E127 WeakPolarHBondContact OG-CG 3.46Å; S124-E127 PolarHBondContact OG-N 3.25Å; S124-E127 PolarHBondContact OG-OE2 2.82Å; S124-I128 WeakPolarHBondContact O-CG1 3.46Å; S124-I128 PolarHBondContact O-N 2.65Å
125	V	97.9	Very high	95.7	Very high	45 Å²	45	33.7 Å²	33.7	27%	0.273	19%	0.185	S	C	.	.	H	α-helix	trans	-55.7	-39.8	176.9	177.6	0	0	0	0	111.3	I128 A129 K254 A257 D258	V125-I128 PolarHBondContact O-N 3.3Å; V125-A129 WeakPolarHBondContact O-CB 3.41Å; V125-A129 PolarHBondContact O-N 3.03Å; V125-K254 HydrophobicContact CG1-CG 4.11Å; V125-A257 HydrophobicContact CG1-CB 4Å; V125-A257 WeakPolarHBondContact O-CB 3.46Å; V125-D258 HydrophobicContact CG1-CB 4.3Å; V125-D258 HydrophobicContact CG2-CB 4.21Å
126	D	97.9	Very high	96.1	Very high	89 Å²	89	32.5 Å²	32.5	48%	0.476	18%	0.176	S	C	.	.	H	α-helix	trans	-69.8	-33.5	178.8	-64.6	-22.7	0	0	0	112.6	S124 R130	S124-D126 PolarHBondContact O-N 2.98Å; D126-R130 WeakPolarHBondContact O-CG 3.32Å; D126-R130 PolarHBondContact O-N 3.39Å; D126-R130 PolarHBondContact O-NH1 2.65Å
127	E	98	Very high	96.4	Very high	30 Å²	30	36.7 Å²	36.7	14%	0.14	20%	0.195	C	C	.	.	H	α-helix	trans	-64.8	-43.4	171.8	-75.9	164.3	153.2	0	0	111.2	H113 K118 M123 S124 R130 V131	H113-E127 IonicContact CD2-OE1 2.64Å; H113-E127 IonicContact NE2-OE1 2.91Å; H113-E127 PolarHBondContact NE2-OE1 2.93Å; K118-E127 IonicContact NZ-OE2 3.22Å; M123-E127 VanDerWaalsContact CA-OE2 3.31Å; M123-E127 WeakPolarHBondContact CA-OE2 3.42Å; M123-E127 HydrophobicContact CB-CB 3.9Å; M123-E127 HydrophobicContact CG-CB 4.14Å; M123-E127 HydrophobicContact SD-CB 4.37Å; S124-E127 PolarHBondContact N-OE2 3.42Å; S124-E127 WeakPolarHBondContact O-CB 3.44Å; S124-E127 PolarHBondContact O-N 2.9Å; S124-E127 WeakPolarHBondContact OG-CB 3.31Å; S124-E127 VanDerWaalsContact OG-CD 3.27Å; S124-E127 WeakPolarHBondContact OG-CG 3.46Å; S124-E127 PolarHBondContact OG-N 3.25Å; S124-E127 PolarHBondContact OG-OE2 2.82Å; E127-R130 PolarHBondContact O-N 3.02Å; E127-V131 PolarHBondContact O-N 3.29Å
128	I	98.5	Very high	97	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-68.8	-38.9	177.7	-58.6	175.1	0	0	0	111	F120 M123 S124 V125 R130 V131 V132 A257 L260	F120-I128 HydrophobicContact CD1-CB 4.34Å; F120-I128 HydrophobicContact CD1-CD1 4.22Å; F120-I128 HydrophobicContact CD1-CG1 3.89Å; F120-I128 HydrophobicContact CD1-CG2 3.75Å; F120-I128 HydrophobicContact CE1-CG2 3.88Å; F120-I128 WeakPolarHBondContact O-CD1 3.46Å; M123-I128 HydrophobicContact CB-CD1 4.16Å; M123-I128 HydrophobicContact CB-CG1 3.59Å; M123-I128 HydrophobicContact SD-CG1 4.21Å; S124-I128 WeakPolarHBondContact O-CG1 3.46Å; S124-I128 PolarHBondContact O-N 2.65Å; V125-I128 PolarHBondContact O-N 3.3Å; I128-R130 PolarHBondContact O-N 3Å; I128-V131 WeakPolarHBondContact O-CA 3.45Å; I128-V131 VanDerWaalsContact O-CB 3.32Å; I128-V131 WeakPolarHBondContact O-CB 3.12Å; I128-V131 PolarHBondContact O-N 3.47Å; I128-V132 PolarHBondContact O-N 3.25Å; I128-A257 HydrophobicContact CB-CB 3.82Å; I128-A257 VanDerWaalsContact CG2-CA 3.49Å; I128-A257 HydrophobicContact CG2-CB 3.63Å; I128-L260 HydrophobicContact CG2-CB 4.27Å; I128-L260 HydrophobicContact CG2-CD1 4.29Å
129	A	98.4	Very high	97.3	Very high	15 Å²	15	30 Å²	30	12%	0.124	17%	0.165	C	C	.	.	H	α-helix	trans	-59.1	-37.7	177.2	0	0	0	0	0	111.6	V125 V131 V132 D133 A257	V125-A129 WeakPolarHBondContact O-CB 3.41Å; V125-A129 PolarHBondContact O-N 3.03Å; A129-V131 VanDerWaalsContact C-N 3.31Å; A129-V131 PolarHBondContact O-N 3.3Å; A129-V132 WeakPolarHBondContact O-CB 3.49Å; A129-V132 PolarHBondContact O-N 3.16Å; A129-V132 VanDerWaalsContact O-N 3.15Å; A129-D133 PolarHBondContact O-N 3.07Å; A129-A257 HydrophobicContact CB-CB 3.93Å
130	R	98.1	Very high	97.6	Very high	77 Å²	77	35.5 Å²	35.5	29%	0.291	19%	0.188	S	C	.	.	H	α-helix	trans	-63.2	-35.7	172.4	-71	-174.4	-76.3	-92.6	11.8	113.2	D126 E127 I128 D133 C134	D126-R130 WeakPolarHBondContact O-CG 3.32Å; D126-R130 PolarHBondContact O-N 3.39Å; D126-R130 PolarHBondContact O-NH1 2.65Å; E127-R130 PolarHBondContact O-N 3.02Å; I128-R130 PolarHBondContact O-N 3Å; R130-D133 PolarHBondContact O-N 3.14Å; R130-C134 WeakPolarHBondContact O-CB 3.38Å; R130-C134 PolarHBondContact O-N 3.44Å
131	V	98.5	Very high	97.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.5	-41.5	173	-179.1	0	0	0	0	110.8	T69 Y112 F120 M123 E127 I128 A129 C134 W135	T69-V131 HydrophobicContact CG2-CG2 4.01Å; Y112-V131 HydrophobicContact CD1-CB 4.4Å; Y112-V131 HydrophobicContact CD1-CG1 3.36Å; Y112-V131 HydrophobicContact CD1-CG2 4.16Å; Y112-V131 HydrophobicContact CE1-CG1 3.56Å; Y112-V131 HydrophobicContact CG-CG1 3.92Å; Y112-V131 HydrophobicContact CG-CG2 4.13Å; F120-V131 HydrophobicContact CE1-CB 4.14Å; F120-V131 HydrophobicContact CE1-CG1 3.91Å; F120-V131 HydrophobicContact CE1-CG2 4.37Å; F120-V131 HydrophobicContact CZ-CB 4.45Å; F120-V131 HydrophobicContact CZ-CG1 3.74Å; M123-V131 HydrophobicContact SD-CG2 4.47Å; E127-V131 PolarHBondContact O-N 3.29Å; I128-V131 WeakPolarHBondContact O-CA 3.45Å; I128-V131 VanDerWaalsContact O-CB 3.32Å; I128-V131 WeakPolarHBondContact O-CB 3.12Å; I128-V131 PolarHBondContact O-N 3.47Å; A129-V131 VanDerWaalsContact C-N 3.31Å; A129-V131 PolarHBondContact O-N 3.3Å; V131-C134 WeakPolarHBondContact O-CB 3.41Å; V131-C134 PolarHBondContact O-N 2.92Å; V131-W135 HydrophobicContact CG1-CD2 4.28Å; V131-W135 HydrophobicContact CG1-CH2 4.32Å; V131-W135 HydrophobicContact CG1-CZ2 3.73Å; V131-W135 PolarHBondContact O-N 3.16Å
132	V	98.7	Very high	97.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61	-45.2	174.1	175.3	0	0	0	0	111	I128 A129 C134 W135 V136 K253 L256 L260	I128-V132 PolarHBondContact O-N 3.25Å; A129-V132 WeakPolarHBondContact O-CB 3.49Å; A129-V132 PolarHBondContact O-N 3.16Å; A129-V132 VanDerWaalsContact O-N 3.15Å; V132-C134 VanDerWaalsContact C-N 3.32Å; V132-C134 PolarHBondContact O-N 3.15Å; V132-W135 HydrophobicContact CB-CE3 4.48Å; V132-W135 HydrophobicContact CG2-CE3 4.14Å; V132-W135 HydrophobicContact CG2-CZ3 4.06Å; V132-W135 WeakPolarHBondContact O-CB 3.34Å; V132-W135 PolarHBondContact O-N 3.26Å; V132-V136 WeakPolarHBondContact O-CG2 3.36Å; V132-V136 PolarHBondContact O-N 3.17Å; V132-K253 HydrophobicContact CG1-CB 3.95Å; V132-K253 HydrophobicContact CG1-CD 4.36Å; V132-K253 HydrophobicContact CG1-CG 3.91Å; V132-L256 HydrophobicContact CG1-CD2 3.87Å; V132-L256 HydrophobicContact CG2-CD2 3.92Å; V132-L256 HydrophobicContact CG2-CG 4.12Å; V132-L260 HydrophobicContact CG2-CD1 4.28Å
133	D	98.5	Very high	98	Very high	72 Å²	72	35.5 Å²	35.5	39%	0.385	19%	0.185	S	C	.	.	H	α-helix	trans	-62.4	-39.3	175.9	-77.2	-39.2	0	0	0	112	A129 R130 W135 V136 E137 K253	A129-D133 PolarHBondContact O-N 3.07Å; R130-D133 PolarHBondContact O-N 3.14Å; D133-W135 PolarHBondContact O-N 3.26Å; D133-V136 PolarHBondContact O-N 3.44Å; D133-E137 WeakPolarHBondContact O-CB 3.18Å; D133-E137 PolarHBondContact O-N 2.97Å; D133-K253 VanDerWaalsContact OD1-CD 3.26Å; D133-K253 WeakPolarHBondContact OD1-CD 2.85Å; D133-K253 IonicContact OD1-NZ 3.69Å; D133-K253 PolarHBondContact OD1-NZ 3.04Å
134	C	98.4	Very high	98	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.02	21%	0.211	C	C	.	.	H	α-helix	trans	-59.9	-44.7	172.9	-178	0	0	0	0	111.3	T69 R130 V131 V132 V136 E137 Q138	T69-C134 HydrophobicContact CG2-CB 4.05Å; R130-C134 WeakPolarHBondContact O-CB 3.38Å; R130-C134 PolarHBondContact O-N 3.44Å; V131-C134 WeakPolarHBondContact O-CB 3.41Å; V131-C134 PolarHBondContact O-N 2.92Å; V132-C134 VanDerWaalsContact C-N 3.32Å; V132-C134 PolarHBondContact O-N 3.15Å; C134-V136 VanDerWaalsContact C-N 3.35Å; C134-V136 PolarHBondContact O-N 3.48Å; C134-E137 PolarHBondContact O-N 3.19Å; C134-Q138 VanDerWaalsContact O-CG 3.3Å; C134-Q138 WeakPolarHBondContact O-CG 2.92Å; C134-Q138 PolarHBondContact O-N 2.93Å
135	W	98.7	Very high	97.9	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-58.7	-44.8	173.8	-67.5	-19.6	0	0	0	112.7	Y112 F120 V131 V132 D133 Q138 L139 I151 L245 L260 M279 W281	Y112-W135 HydrophobicContact CE1-CZ2 4.34Å; Y112-W135 AromaticContact CE1-NE1 3.57Å; Y112-W135 AromaticContact CZ-NE1 3.95Å; F120-W135 HydrophobicContact CE1-CH2 4.19Å; F120-W135 HydrophobicContact CE1-CZ2 4.44Å; F120-W135 AromaticContact CZ-CH2 3.79Å; F120-W135 HydrophobicContact CZ-CH2 3.79Å; F120-W135 AromaticContact CZ-CZ2 3.7Å; F120-W135 HydrophobicContact CZ-CZ2 3.7Å; V131-W135 HydrophobicContact CG1-CD2 4.28Å; V131-W135 HydrophobicContact CG1-CH2 4.32Å; V131-W135 HydrophobicContact CG1-CZ2 3.73Å; V131-W135 PolarHBondContact O-N 3.16Å; V132-W135 HydrophobicContact CB-CE3 4.48Å; V132-W135 HydrophobicContact CG2-CE3 4.14Å; V132-W135 HydrophobicContact CG2-CZ3 4.06Å; V132-W135 WeakPolarHBondContact O-CB 3.34Å; V132-W135 PolarHBondContact O-N 3.26Å; D133-W135 PolarHBondContact O-N 3.26Å; W135-Q138 PolarHBondContact O-N 3.25Å; W135-L139 WeakPolarHBondContact O-CB 3.41Å; W135-L139 PolarHBondContact O-N 3.22Å; W135-I151 HydrophobicContact CB-CD1 4.04Å; W135-I151 HydrophobicContact CD2-CG2 4.26Å; W135-I151 HydrophobicContact CG-CG2 3.9Å; W135-L245 HydrophobicContact CB-CD1 4.24Å; W135-L260 HydrophobicContact CH2-CD1 4.03Å; W135-L260 HydrophobicContact CZ3-CD1 3.78Å; W135-M279 HydrophobicContact CH2-CE 4.3Å; W135-W281 AromaticContact CD2-NE1 3.89Å; W135-W281 AromaticContact CE3-CE2 4Å; W135-W281 HydrophobicContact CE3-CZ2 4.25Å; W135-W281 AromaticContact CE3-NE1 3.3Å; W135-W281 VanDerWaalsContact CE3-NE1 3.3Å; W135-W281 AromaticContact CH2-NE1 3.73Å; W135-W281 AromaticContact CZ3-CE2 3.83Å; W135-W281 AromaticContact CZ3-CZ2 3.85Å; W135-W281 HydrophobicContact CZ3-CZ2 3.85Å; W135-W281 AromaticContact CZ3-NE1 3.23Å
136	V	98.6	Very high	97.9	Very high	20 Å²	20	41.1 Å²	41.1	12%	0.121	21%	0.21	C	C	.	.	H	α-helix	trans	-62.4	-43.4	177.2	172.1	0	0	0	0	111	V132 D133 C134 L139 K140 L245 T246	V132-V136 WeakPolarHBondContact O-CG2 3.36Å; V132-V136 PolarHBondContact O-N 3.17Å; D133-V136 PolarHBondContact O-N 3.44Å; C134-V136 VanDerWaalsContact C-N 3.35Å; C134-V136 PolarHBondContact O-N 3.48Å; V136-L139 PolarHBondContact O-N 2.75Å; V136-K140 WeakPolarHBondContact O-CB 3.18Å; V136-K140 PolarHBondContact O-N 2.86Å; V136-L245 HydrophobicContact CG2-CB 4.11Å; V136-T246 HydrophobicContact CG1-CG2 4.23Å
137	E	98.2	Very high	97.9	Very high	94 Å²	94	37.1 Å²	37.1	44%	0.439	19%	0.189	S	C	.	.	H	α-helix	trans	-61.5	-45.9	176.7	-171.5	-158.3	151.8	0	0	111.6	D133 C134 K140 T141	D133-E137 WeakPolarHBondContact O-CB 3.18Å; D133-E137 PolarHBondContact O-N 2.97Å; C134-E137 PolarHBondContact O-N 3.19Å; E137-K140 PolarHBondContact O-N 3.45Å; E137-T141 VanDerWaalsContact O-CB 3.32Å; E137-T141 WeakPolarHBondContact O-CB 3.36Å; E137-T141 PolarHBondContact O-N 3.14Å; E137-T141 PolarHBondContact O-OG1 3.09Å
138	Q	98.3	Very high	97.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.6	-45	177.4	-67.1	-48.7	-67.5	0	0	111.4	W71 L110 C134 W135 T141 L142 V170	W71-Q138 VanDerWaalsContact NE1-NE2 3.15Å; L110-Q138 HydrophobicContact CD1-CG 4.1Å; L110-Q138 HydrophobicContact CD2-CG 3.68Å; C134-Q138 VanDerWaalsContact O-CG 3.3Å; C134-Q138 WeakPolarHBondContact O-CG 2.92Å; C134-Q138 PolarHBondContact O-N 2.93Å; W135-Q138 PolarHBondContact O-N 3.25Å; Q138-T141 PolarHBondContact O-N 3.34Å; Q138-L142 WeakPolarHBondContact O-CB 3.39Å; Q138-L142 WeakPolarHBondContact O-CG 3.32Å; Q138-L142 PolarHBondContact O-N 3.1Å; Q138-V170 HydrophobicContact CB-CG2 4.16Å; Q138-V170 HydrophobicContact CG-CG2 4.22Å
139	L	98.1	Very high	97.9	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-60.2	-50.4	176.7	-173.8	59.1	0	0	0	110.2	W135 V136 T141 L142 S143 V149 I151 R244 L245 T246 C283 T286	W135-L139 WeakPolarHBondContact O-CB 3.41Å; W135-L139 PolarHBondContact O-N 3.22Å; V136-L139 PolarHBondContact O-N 2.75Å; L139-T141 VanDerWaalsContact C-N 3.32Å; L139-T141 PolarHBondContact O-N 3.38Å; L139-L142 PolarHBondContact O-N 2.81Å; L139-S143 WeakPolarHBondContact O-CB 3.35Å; L139-S143 PolarHBondContact O-N 3.2Å; L139-S143 PolarHBondContact O-OG 3.15Å; L139-V149 HydrophobicContact CD1-CB 3.57Å; L139-V149 HydrophobicContact CD1-CG1 3.86Å; L139-V149 HydrophobicContact CD1-CG2 3.99Å; L139-I151 HydrophobicContact CB-CD1 4.4Å; L139-R244 HydrophobicContact CD2-CB 4.21Å; L139-L245 HydrophobicContact CD2-CB 3.87Å; L139-T246 HydrophobicContact CB-CG2 4.3Å; L139-T246 HydrophobicContact CD2-CG2 4.1Å; L139-T246 HydrophobicContact CG-CG2 4.13Å; L139-C283 HydrophobicContact CD2-CB 4.42Å; L139-T286 HydrophobicContact CD1-CG2 4.44Å
140	K	97.7	Very high	98	Very high	155 Å²	155	37 Å²	37	67%	0.674	19%	0.186	S	C	*	.	H	α-helix	trans	-57.1	-44	178.8	-174.5	178.5	-179.2	179.8	0	112.4	V136 E137 T246	V136-K140 WeakPolarHBondContact O-CB 3.18Å; V136-K140 PolarHBondContact O-N 2.86Å; E137-K140 PolarHBondContact O-N 3.45Å; K140-T246 HydrophobicContact CB-CG2 4.18Å
141	T	97.6	Very high	98	Very high	63 Å²	63	33.4 Å²	33.4	39%	0.387	17%	0.173	S	C	.	.	H	α-helix	trans	-67.1	-37.8	-178.7	-59.1	0	0	0	0	112.4	E137 Q138 L139	E137-T141 VanDerWaalsContact O-CB 3.32Å; E137-T141 WeakPolarHBondContact O-CB 3.36Å; E137-T141 PolarHBondContact O-N 3.14Å; E137-T141 PolarHBondContact O-OG1 3.09Å; Q138-T141 PolarHBondContact O-N 3.34Å; L139-T141 VanDerWaalsContact C-N 3.32Å; L139-T141 PolarHBondContact O-N 3.38Å
142	L	97.8	Very high	98	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-93.2	-19.5	-174.4	-65.2	168.1	0	0	0	112.9	V106 Q138 L139 T144 D145 Y146 V149 V170 A172	V106-L142 HydrophobicContact CG1-CD2 3.65Å; Q138-L142 WeakPolarHBondContact O-CB 3.39Å; Q138-L142 WeakPolarHBondContact O-CG 3.32Å; Q138-L142 PolarHBondContact O-N 3.1Å; L139-L142 PolarHBondContact O-N 2.81Å; L142-T144 PolarHBondContact O-N 3.01Å; L142-D145 PolarHBondContact O-N 2.74Å; L142-Y146 HydrophobicContact CB-CD2 4.11Å; L142-Y146 HydrophobicContact CD2-CD2 3.9Å; L142-Y146 HydrophobicContact CD2-CE2 3.69Å; L142-Y146 WeakPolarHBondContact O-CD2 3.17Å; L142-Y146 PolarHBondContact O-N 3.41Å; L142-V149 HydrophobicContact CB-CG1 4.25Å; L142-V149 HydrophobicContact CB-CG2 3.73Å; L142-V149 HydrophobicContact CD1-CG1 4.05Å; L142-V170 HydrophobicContact CD1-CG1 3.63Å; L142-A172 HydrophobicContact CB-CB 4.3Å; L142-A172 HydrophobicContact CD1-CB 4.13Å; L142-A172 HydrophobicContact CD2-CB 4.44Å
143	S	96.9	Very high	97.9	Very high	11 Å²	11	35 Å²	35	8%	0.077	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.6	-172.4	-72.1	0	0	0	0	114	L139 T286 G287 L290	L139-S143 WeakPolarHBondContact O-CB 3.35Å; L139-S143 PolarHBondContact O-N 3.2Å; L139-S143 PolarHBondContact O-OG 3.15Å; S143-T286 WeakPolarHBondContact O-CB 3.18Å; S143-T286 VanDerWaalsContact OG-CG2 3.32Å; S143-T286 WeakPolarHBondContact OG-CG2 3.35Å; S143-G287 WeakPolarHBondContact O-CA 3.4Å; S143-G287 PolarHBondContact O-N 3.33Å; S143-L290 WeakPolarHBondContact O-CD1 3.32Å
144	T	96	Very high	97.8	Very high	95 Å²	95	33.7 Å²	33.7	58%	0.583	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-34.6	-179.3	51.2	0	0	0	0	112.6	L142	L142-T144 PolarHBondContact O-N 3.01Å
145	D	95.8	Very high	97.6	Very high	102 Å²	102	34.4 Å²	34.4	55%	0.545	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-14.9	-168	-62.1	-35.7	0	0	0	114.1	L142 K174	L142-D145 PolarHBondContact O-N 2.74Å; D145-K174 WeakPolarHBondContact O-CE 3.33Å
146	Y	97.4	Very high	97.1	Very high	29 Å²	29	35.9 Å²	35.9	11%	0.114	19%	0.191	C	C	.	.			trans	-128.7	138.2	-172.9	-59.9	-79.7	0	0	0	111	V106 L142 A172 K174 T286 G287	V106-Y146 HydrophobicContact CG1-CD2 4.5Å; V106-Y146 HydrophobicContact CG1-CE1 4.28Å; V106-Y146 HydrophobicContact CG1-CE2 3.76Å; L142-Y146 HydrophobicContact CB-CD2 4.11Å; L142-Y146 HydrophobicContact CD2-CD2 3.9Å; L142-Y146 HydrophobicContact CD2-CE2 3.69Å; L142-Y146 WeakPolarHBondContact O-CD2 3.17Å; L142-Y146 PolarHBondContact O-N 3.41Å; Y146-A172 HydrophobicContact CD1-CB 4.02Å; Y146-A172 HydrophobicContact CD2-CB 3.79Å; Y146-A172 HydrophobicContact CE2-CB 4.41Å; Y146-A172 HydrophobicContact CG-CB 3.57Å; Y146-K174 HydrophobicContact CD1-CG 3.86Å; Y146-K174 HydrophobicContact CE1-CG 4.22Å; Y146-T286 CarbonylContact O-C 3.5Å; Y146-T286 WeakPolarHBondContact O-CB 3.23Å; Y146-T286 PolarHBondContact O-OG1 3.39Å; Y146-G287 WeakPolarHBondContact O-CA 3.23Å; Y146-G287 PolarHBondContact O-N 3.34Å
147	D	97.9	Very high	96.5	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.027	21%	0.207	C	C	.	.	S	Bend	trans	-77	-25.2	-177.7	-69.9	-20.3	0	0	0	112.9	T173 K174 T286 R288 Y289	D147-T173 PolarHBondContact N-O 2.88Å; D147-K174 VanDerWaalsContact OD2-O 3.06Å; D147-T286 WeakPolarHBondContact CA-O 3.45Å; D147-T286 PolarHBondContact O-N 3.12Å; D147-T286 PolarHBondContact O-OG1 2.87Å; D147-R288 WeakPolarHBondContact OD1-CB 3.37Å; D147-R288 WeakPolarHBondContact OD1-CG 3.43Å; D147-R288 PolarHBondContact OD1-N 2.89Å; D147-R288 IonicContact OD1-NE 3.44Å; D147-R288 PolarHBondContact OD1-NE 3.37Å; D147-R288 IonicContact OD2-CZ 3.41Å; D147-R288 IonicContact OD2-NE 3.86Å; D147-R288 PolarHBondContact OD2-NE 2.85Å; D147-R288 IonicContact OD2-NH2 2.85Å; D147-R288 PolarHBondContact OD2-NH2 3.26Å; D147-Y289 HydrophobicContact CB-CD2 4.03Å; D147-Y289 HydrophobicContact CB-CE2 3.97Å
148	W	98.5	Very high	95.9	Very high	5 Å²	5	34.6 Å²	34.6	2%	0.019	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	136.8	175.5	-168.3	-102.7	0	0	0	110.3	A172 T173 L176 P177 P180 Y282 C283 P285 W297	W148-A172 CarbonylContact O-C 3.42Å; W148-A172 WeakPolarHBondContact O-CA 3.26Å; W148-T173 PolarHBondContact N-O 3.19Å; W148-T173 VanDerWaalsContact N-O 3.16Å; W148-T173 PolarHBondContact O-N 2.88Å; W148-L176 HydrophobicContact CB-CD2 4.19Å; W148-L176 HydrophobicContact CD2-CD2 4.23Å; W148-L176 HydrophobicContact CE3-CD2 3.52Å; W148-L176 HydrophobicContact CZ3-CD2 4.3Å; W148-P177 HydrophobicContact CB-CG 4.44Å; W148-P177 HydrophobicContact CG-CG 4.13Å; W148-P180 HydrophobicContact CD2-CB 3.76Å; W148-P180 HydrophobicContact CD2-CG 3.8Å; W148-P180 HydrophobicContact CE3-CB 3.78Å; W148-P180 HydrophobicContact CE3-CG 4.31Å; W148-P180 HydrophobicContact CG-CG 4.4Å; W148-P180 HydrophobicContact CH2-CB 3.64Å; W148-P180 HydrophobicContact CH2-CG 3.91Å; W148-P180 HydrophobicContact CZ2-CB 3.64Å; W148-P180 HydrophobicContact CZ2-CG 3.34Å; W148-P180 HydrophobicContact CZ3-CB 3.71Å; W148-P180 HydrophobicContact CZ3-CG 4.35Å; W148-Y282 HydrophobicContact CH2-CD1 4.09Å; W148-Y282 AromaticContact CZ2-CD1 3.74Å; W148-Y282 HydrophobicContact CZ2-CD1 3.74Å; W148-Y282 HydrophobicContact CZ2-CE1 4.38Å; W148-C283 WeakPolarHBondContact CH2-O 3.34Å; W148-C283 WeakPolarHBondContact CZ3-O 3.34Å; W148-P285 HydrophobicContact CE3-CG 4.37Å; W148-P285 HydrophobicContact CZ3-CG 4.19Å; W148-W297 AromaticContact CH2-CH2 3.7Å; W148-W297 HydrophobicContact CH2-CH2 3.7Å; W148-W297 HydrophobicContact CH2-CZ2 4.46Å; W148-W297 HydrophobicContact CH2-CZ3 4.19Å; W148-W297 AromaticContact CZ3-CH2 3.85Å; W148-W297 HydrophobicContact CZ3-CH2 3.85Å; W148-W297 HydrophobicContact CZ3-CZ2 4.16Å
149	V	98.6	Very high	95.3	Very high	7 Å²	7	36 Å²	36	4%	0.042	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	103.3	174.7	-177.9	0	0	0	0	107.6	L139 L142 V170 A172	L139-V149 HydrophobicContact CD1-CB 3.57Å; L139-V149 HydrophobicContact CD1-CG1 3.86Å; L139-V149 HydrophobicContact CD1-CG2 3.99Å; L142-V149 HydrophobicContact CB-CG1 4.25Å; L142-V149 HydrophobicContact CB-CG2 3.73Å; L142-V149 HydrophobicContact CD1-CG1 4.05Å; V149-V170 HydrophobicContact CG1-CG1 3.46Å; V149-V170 VanDerWaalsContact CG1-CG1 3.46Å; V149-A172 HydrophobicContact CB-CB 4.5Å; V149-A172 HydrophobicContact CG1-CB 4.48Å; V149-A172 HydrophobicContact CG2-CB 4.05Å
150	Q	98.7	Very high	94.6	Very high	33 Å²	33	39.1 Å²	39.1	15%	0.154	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	107.4	180	-172.1	60.3	64.6	0	0	110.1	F152 V170 W171 W281	Q150-F152 HydrophobicContact CG-CD1 4.04Å; Q150-V170 VanDerWaalsContact O-CA 3.3Å; Q150-V170 WeakPolarHBondContact O-CA 3.1Å; Q150-W171 WeakPolarHBondContact CB-O 3.28Å; Q150-W171 PolarHBondContact N-O 3.35Å; Q150-W171 PolarHBondContact O-N 2.79Å; Q150-W281 PolarHBondContact NE2-O 2.89Å
151	I	98.8	Very high	93.8	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	128.7	168	-59.5	156.4	0	0	0	107.6	W135 L139 V170 L245 G280 W281	W135-I151 HydrophobicContact CB-CD1 4.04Å; W135-I151 HydrophobicContact CD2-CG2 4.26Å; W135-I151 HydrophobicContact CG-CG2 3.9Å; L139-I151 HydrophobicContact CB-CD1 4.4Å; I151-V170 HydrophobicContact CB-CG2 4.49Å; I151-V170 HydrophobicContact CG1-CG1 4.17Å; I151-V170 HydrophobicContact CG1-CG2 3.88Å; I151-V170 HydrophobicContact CG2-CG2 4.49Å; I151-L245 HydrophobicContact CD1-CD1 3.73Å; I151-G280 WeakPolarHBondContact O-CA 3.33Å; I151-W281 HydrophobicContact CB-CB 4.42Å; I151-W281 PolarHBondContact O-N 2.79Å
152	F	98.5	Very high	92.8	Very high	29 Å²	29	34.5 Å²	34.5	13%	0.127	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	160	-179.6	70.5	-83.1	0	0	0	112.6	Q150 G168 Q169 W171 M279	Q150-F152 HydrophobicContact CG-CD1 4.04Å; F152-G168 CarbonylContact O-C 3.59Å; F152-G168 VanDerWaalsContact O-CA 3.3Å; F152-G168 WeakPolarHBondContact O-CA 3.19Å; F152-Q169 HydrophobicContact CD1-CB 4.17Å; F152-Q169 HydrophobicContact CE1-CB 3.62Å; F152-Q169 HydrophobicContact CE2-CB 3.99Å; F152-Q169 HydrophobicContact CE2-CG 4.42Å; F152-Q169 HydrophobicContact CZ-CB 3.52Å; F152-Q169 HydrophobicContact CZ-CG 4.2Å; F152-Q169 PolarHBondContact N-O 2.8Å; F152-Q169 PolarHBondContact O-N 3.29Å; F152-W171 HydrophobicContact CE1-CB 4.3Å; F152-W171 AromaticContact CE1-CD1 3.69Å; F152-W171 AromaticContact CE1-CD2 3.93Å; F152-W171 HydrophobicContact CE1-CD2 3.93Å; F152-W171 AromaticContact CE1-CG 3.74Å; F152-W171 HydrophobicContact CE1-CG 3.74Å; F152-W171 AromaticContact CE1-NE1 3.83Å; F152-W171 HydrophobicContact CZ-CD2 4.05Å; F152-W171 AromaticContact CZ-CE2 3.71Å; F152-W171 HydrophobicContact CZ-CG 4.28Å; F152-W171 HydrophobicContact CZ-CZ2 4.09Å; F152-W171 AromaticContact CZ-NE1 3.69Å; F152-M279 CarbonylContact C-O 3.57Å; F152-M279 WeakPolarHBondContact CA-O 3.27Å; F152-M279 WeakPolarHBondContact CB-O 3.29Å
153	E	97.8	Very high	92.2	Very high	5 Å²	5	35.4 Å²	35.4	2%	0.023	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	141	172.4	165.1	-174.5	-150.6	0	0	108.9	Y112 F120 R155 Y277 S278 M279	Y112-E153 HydrophobicContact CE2-CB 4.46Å; Y112-E153 HydrophobicContact CE2-CG 4.37Å; F120-E153 WeakPolarHBondContact CE2-OE2 3.46Å; E153-R155 HydrophobicContact CG-CB 4.33Å; E153-Y277 HydrophobicContact CG-CE2 4.17Å; E153-Y277 PolarHBondContact OE1-OH 3.01Å; E153-Y277 VanDerWaalsContact OE2-CE2 3.24Å; E153-Y277 WeakPolarHBondContact OE2-CE2 3.3Å; E153-Y277 PolarHBondContact OE2-OH 2.79Å; E153-S278 CarbonylContact O-C 3.57Å; E153-S278 WeakPolarHBondContact O-CA 3.42Å; E153-M279 HydrophobicContact CB-CG 3.85Å; E153-M279 HydrophobicContact CB-SD 4.09Å; E153-M279 PolarHBondContact N-O 3.48Å; E153-M279 PolarHBondContact O-N 3.02Å
154	N	96.1	Very high	91.7	Very high	44 Å²	44	36.9 Å²	36.9	24%	0.235	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	110.5	165	-67.8	-34.5	0	0	0	107.4	V159 C161 S278	N154-V159 HydrophobicContact CB-CG2 4.15Å; N154-C161 HydrophobicContact CB-CB 4.35Å; N154-C161 VanDerWaalsContact O-CB 3.27Å; N154-C161 WeakPolarHBondContact O-CB 3.31Å; N154-C161 PolarHBondContact O-SG 2.81Å; N154-S278 WeakPolarHBondContact OD1-CB 3.33Å; N154-S278 PolarHBondContact OD1-OG 3.47Å
155	R	93.3	Very high	91.5	Very high	18 Å²	18	32.4 Å²	32.4	7%	0.068	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	121	179.5	-174.5	-174.1	178	-152.4	3	110.1	E153 V159 D268 F275 P276 Y277	E153-R155 HydrophobicContact CG-CB 4.33Å; R155-V159 WeakPolarHBondContact O-CG2 3.3Å; R155-D268 IonicContact CZ-OD1 3.37Å; R155-D268 IonicContact CZ-OD2 2.94Å; R155-D268 IonicContact NH1-OD1 2.73Å; R155-D268 PolarHBondContact NH1-OD1 2.8Å; R155-D268 IonicContact NH1-OD2 2.72Å; R155-D268 IonicContact NH2-OD1 3.76Å; R155-D268 PolarHBondContact NH2-OD1 3.28Å; R155-D268 IonicContact NH2-OD2 2.95Å; R155-D268 PolarHBondContact NH2-OD2 3.47Å; R155-F275 PolarHBondContact NH1-O 2.71Å; R155-P276 CarbonylContact O-C 3.47Å; R155-P276 WeakPolarHBondContact O-CA 3.36Å; R155-P276 WeakPolarHBondContact O-CB 3.47Å; R155-Y277 HydrophobicContact CB-CD1 4.34Å; R155-Y277 HydrophobicContact CB-CD2 4.32Å; R155-Y277 HydrophobicContact CB-CE1 4.03Å; R155-Y277 HydrophobicContact CB-CE2 3.98Å; R155-Y277 HydrophobicContact CB-CG 4.48Å; R155-Y277 HydrophobicContact CG-CE1 4.32Å; R155-Y277 PolarHBondContact N-O 3.05Å; R155-Y277 PolarHBondContact O-N 3.37Å; R155-Y277 VanDerWaalsContact O-N 3.09Å
156	G	88.5	Confident	91.4	Very high	32 Å²	32	27.7 Å²	27.7	33%	0.33	19%	0.187	S	C	.	.	S	Bend	trans	91.2	156.5	173.8	0	0	0	0	0	114.6	A158 V159 C161	G156-A158 VanDerWaalsContact C-N 3.29Å; G156-A158 PolarHBondContact O-N 2.94Å; G156-V159 WeakPolarHBondContact O-CG2 3.45Å; G156-V159 PolarHBondContact O-N 2.69Å; G156-C161 VanDerWaalsContact O-CB 3.32Å; G156-C161 WeakPolarHBondContact O-CB 3.25Å; G156-C161 PolarHBondContact O-N 2.94Å
157	A	85	Confident	91.3	Very high	57 Å²	57	27.3 Å²	27.3	47%	0.471	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-65.7	-31.2	-173.7	0	0	0	0	0	113.2	I38 V159 G160	I38-A157 HydrophobicContact CD1-CB 3.71Å; A157-V159 PolarHBondContact O-N 2.98Å; A157-V159 VanDerWaalsContact O-N 3.08Å; A157-G160 PolarHBondContact O-N 3.16Å
158	A	85.8	Confident	91.3	Very high	29 Å²	29	27.1 Å²	27.1	24%	0.24	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-62	-18.4	-179	0	0	0	0	0	114	G156 P276 P306	G156-A158 VanDerWaalsContact C-N 3.29Å; G156-A158 PolarHBondContact O-N 2.94Å; A158-P276 HydrophobicContact CB-CB 3.99Å; A158-P276 HydrophobicContact CB-CG 4.02Å; A158-P306 HydrophobicContact CB-CG 4.19Å
159	V	86.1	Confident	91.3	Very high	31 Å²	31	28.4 Å²	28.4	19%	0.188	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-113.3	20.2	175.7	-62	0	0	0	0	112.4	N154 R155 G156 A157 Y277 P306	N154-V159 HydrophobicContact CB-CG2 4.15Å; R155-V159 WeakPolarHBondContact O-CG2 3.3Å; G156-V159 WeakPolarHBondContact O-CG2 3.45Å; G156-V159 PolarHBondContact O-N 2.69Å; A157-V159 PolarHBondContact O-N 2.98Å; A157-V159 VanDerWaalsContact O-N 3.08Å; V159-Y277 WeakPolarHBondContact CG2-O 3.16Å; V159-P306 HydrophobicContact CG1-CG 3.97Å
160	G	83.2	Confident	91.3	Very high	67 Å²	67	28.1 Å²	28.1	69%	0.691	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.1	11.3	173.1	0	0	0	0	0	115.7	A157 S162	A157-G160 PolarHBondContact O-N 3.16Å; G160-S162 PolarHBondContact O-N 2.92Å
161	C	81.9	Confident	91.3	Very high	21 Å²	21	30.8 Å²	30.8	14%	0.142	20%	0.199	C	C	.	.			trans	-79.4	117.3	175.6	-163.4	0	0	0	0	111.4	N154 G156 N163 H167	N154-C161 HydrophobicContact CB-CB 4.35Å; N154-C161 VanDerWaalsContact O-CB 3.27Å; N154-C161 WeakPolarHBondContact O-CB 3.31Å; N154-C161 PolarHBondContact O-SG 2.81Å; G156-C161 VanDerWaalsContact O-CB 3.32Å; G156-C161 WeakPolarHBondContact O-CB 3.25Å; G156-C161 PolarHBondContact O-N 2.94Å; C161-N163 PolarHBondContact SG-O 3Å; C161-H167 VanDerWaalsContact SG-CE1 3.59Å
162	S	77.2	Confident	91.2	Very high	99 Å²	99	30.8 Å²	30.8	69%	0.692	20%	0.199	S	C	*	.			trans	-92.3	-23.2	179.1	59.5	0	0	0	0	113.7	G160	G160-S162 PolarHBondContact O-N 2.92Å
163	N	84.6	Confident	91.2	Very high	24 Å²	24	29.8 Å²	29.8	13%	0.128	20%	0.195	C	C	.	.			trans	-102.5	130.5	177.5	-166.8	-44.8	0	0	0	110.1	K47 L51 C161 H165	K47-N163 PolarHBondContact O-ND2 3.33Å; K47-N163 PolarHBondContact O-OD1 2.84Å; K47-N163 VanDerWaalsContact O-OD1 3.11Å; L51-N163 HydrophobicContact CD1-CB 4.2Å; L51-N163 WeakPolarHBondContact CD1-ND2 3.48Å; L51-N163 VanDerWaalsContact CG-ND2 3.35Å; L51-N163 WeakPolarHBondContact CG-ND2 3.43Å; C161-N163 PolarHBondContact SG-O 3Å; N163-H165 VanDerWaalsContact OD1-CB 3.26Å; N163-H165 WeakPolarHBondContact OD1-CB 3.28Å; N163-H165 PolarHBondContact OD1-N 2.98Å
164	I	85.9	Confident	91	Very high	41 Å²	41	34.6 Å²	34.6	21%	0.21	22%	0.216	C	C	.	.			trans	-90	-10.7	-175.1	63.5	163.2	0	0	0	113.9	P42 N45 A48 H119	P42-I164 VanDerWaalsContact CA-CD1 3.44Å; P42-I164 HydrophobicContact CB-CD1 3.65Å; P42-I164 HydrophobicContact CG-CD1 4.21Å; N45-I164 HydrophobicContact CB-CD1 3.53Å; N45-I164 HydrophobicContact CB-CG1 4.5Å; A48-I164 HydrophobicContact CB-CD1 4.09Å; A48-I164 HydrophobicContact CB-CG1 3.67Å; H119-I164 PolarHBondContact CE1-O 3.39Å
165	H	91.8	Very high	91	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.009	22%	0.219	C	C	.	.	S	Bend	trans	-62.4	140.1	177.6	-173.2	82.6	0	0	0	109.6	A48 L51 Y66 H113 S116 N163 H167	A48-H165 HydrophobicContact CB-CB 4.43Å; L51-H165 HydrophobicContact CB-CB 3.85Å; L51-H165 HydrophobicContact CD1-CB 4.15Å; Y66-H165 PolarHBondContact OH-CE1 3.46Å; Y66-H165 VanDerWaalsContact OH-CE1 3.32Å; Y66-H165 PolarHBondContact OH-NE2 2.81Å; H113-H165 PolarHBondContact O-CE1 2.98Å; H113-H165 PolarHBondContact O-NE2 2.98Å; S116-H165 PolarHBondContact OG-ND1 2.95Å; N163-H165 VanDerWaalsContact OD1-CB 3.26Å; N163-H165 WeakPolarHBondContact OD1-CB 3.28Å; N163-H165 PolarHBondContact OD1-N 2.98Å; H165-H167 PolarHBondContact O-N 3.16Å; H165-H167 PolarHBondContact O-ND1 3.31Å
166	P	93.9	Very high	91.2	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.013	22%	0.222	C	C	.	.	S	Bend	trans	-66.6	108.7	-176	29.9	-38.4	0	0	0	110.1	Y112 H113 K118 M123	Y112-P166 HydrophobicContact CD2-CB 4.46Å; Y112-P166 PolarHBondContact N-O 3.24Å; H113-P166 HydrophobicContact CB-CG 4.21Å; K118-P166 WeakPolarHBondContact O-CB 3.39Å; K118-P166 WeakPolarHBondContact O-CG 3.26Å; M123-P166 HydrophobicContact CE-CB 4.3Å
167	H	96.1	Very high	91.6	Very high	22 Å²	22	36.7 Å²	36.7	10%	0.102	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	156.5	-176.9	72.9	-73	0	0	0	112.3	L51 V109 L110 C161 H165	L51-H167 HydrophobicContact CD1-CB 4.07Å; V109-H167 HydrophobicContact CG1-CB 4.43Å; L110-H167 CarbonylContact O-C 3.59Å; L110-H167 WeakPolarHBondContact O-CA 3.39Å; L110-H167 VanDerWaalsContact O-CB 3.23Å; L110-H167 WeakPolarHBondContact O-CB 3.4Å; C161-H167 VanDerWaalsContact SG-CE1 3.59Å; H165-H167 PolarHBondContact O-N 3.16Å; H165-H167 PolarHBondContact O-ND1 3.31Å
168	G	97.5	Very high	92.2	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	-168.1	164.4	0	0	0	0	0	111.3	L110 Y112 F152	L110-G168 PolarHBondContact N-O 2.88Å; L110-G168 PolarHBondContact O-N 3.03Å; Y112-G168 VanDerWaalsContact OH-CA 3.25Å; Y112-G168 WeakPolarHBondContact OH-CA 3.34Å; Y112-G168 PolarHBondContact OH-N 2.99Å; F152-G168 CarbonylContact O-C 3.59Å; F152-G168 VanDerWaalsContact O-CA 3.3Å; F152-G168 WeakPolarHBondContact O-CA 3.19Å
169	Q	98	Very high	92.8	Very high	32 Å²	32	43.2 Å²	43.2	15%	0.15	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	154.3	-179.8	-65	-174	61.3	0	0	110.5	R108 F152	R108-Q169 CarbonylContact O-C 3.56Å; R108-Q169 VanDerWaalsContact O-CA 3.27Å; R108-Q169 WeakPolarHBondContact O-CA 3.26Å; F152-Q169 HydrophobicContact CD1-CB 4.17Å; F152-Q169 HydrophobicContact CE1-CB 3.62Å; F152-Q169 HydrophobicContact CE2-CB 3.99Å; F152-Q169 HydrophobicContact CE2-CG 4.42Å; F152-Q169 HydrophobicContact CZ-CB 3.52Å; F152-Q169 HydrophobicContact CZ-CG 4.2Å; F152-Q169 PolarHBondContact N-O 2.8Å; F152-Q169 PolarHBondContact O-N 3.29Å
170	V	98.4	Very high	93.4	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	115.2	170.4	-173.4	0	0	0	0	108.8	C107 R108 L110 Q138 L142 V149 Q150 I151	C107-V170 CarbonylContact C-O 3.6Å; R108-V170 HydrophobicContact CB-CB 4.41Å; R108-V170 PolarHBondContact N-O 3.19Å; R108-V170 PolarHBondContact O-N 3.49Å; L110-V170 HydrophobicContact CD1-CG2 3.47Å; L110-V170 VanDerWaalsContact CD1-CG2 3.47Å; L110-V170 HydrophobicContact CD2-CG2 4.06Å; L110-V170 HydrophobicContact CG-CG2 3.82Å; Q138-V170 HydrophobicContact CB-CG2 4.16Å; Q138-V170 HydrophobicContact CG-CG2 4.22Å; L142-V170 HydrophobicContact CD1-CG1 3.63Å; V149-V170 HydrophobicContact CG1-CG1 3.46Å; V149-V170 VanDerWaalsContact CG1-CG1 3.46Å; Q150-V170 VanDerWaalsContact O-CA 3.3Å; Q150-V170 WeakPolarHBondContact O-CA 3.1Å; I151-V170 HydrophobicContact CB-CG2 4.49Å; I151-V170 HydrophobicContact CG1-CG1 4.17Å; I151-V170 HydrophobicContact CG1-CG2 3.88Å; I151-V170 HydrophobicContact CG2-CG2 4.49Å
171	W	98.2	Very high	94.1	Very high	90 Å²	90	41.4 Å²	41.4	34%	0.341	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119.3	174.2	-67.4	13.9	0	0	0	108.2	A78 L79 V106 C107 Q150 F152	A78-W171 HydrophobicContact CB-CH2 3.78Å; A78-W171 HydrophobicContact CB-CZ2 4.17Å; A78-W171 HydrophobicContact CB-CZ3 3.98Å; L79-W171 HydrophobicContact CD1-CB 4.19Å; V106-W171 WeakPolarHBondContact O-CA 3.21Å; C107-W171 HydrophobicContact CB-CG 4.37Å; Q150-W171 WeakPolarHBondContact CB-O 3.28Å; Q150-W171 PolarHBondContact N-O 3.35Å; Q150-W171 PolarHBondContact O-N 2.79Å; F152-W171 HydrophobicContact CE1-CB 4.3Å; F152-W171 AromaticContact CE1-CD1 3.69Å; F152-W171 AromaticContact CE1-CD2 3.93Å; F152-W171 HydrophobicContact CE1-CD2 3.93Å; F152-W171 AromaticContact CE1-CG 3.74Å; F152-W171 HydrophobicContact CE1-CG 3.74Å; F152-W171 AromaticContact CE1-NE1 3.83Å; F152-W171 HydrophobicContact CZ-CD2 4.05Å; F152-W171 AromaticContact CZ-CE2 3.71Å; F152-W171 HydrophobicContact CZ-CG 4.28Å; F152-W171 HydrophobicContact CZ-CZ2 4.09Å; F152-W171 AromaticContact CZ-NE1 3.69Å
172	A	98.1	Very high	94.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.6	178.8	0	0	0	0	0	110.7	G105 V106 L142 Y146 W148 V149	G105-A172 CarbonylContact C-O 3.56Å; G105-A172 WeakPolarHBondContact CA-O 3.37Å; V106-A172 HydrophobicContact CG1-CB 4Å; V106-A172 PolarHBondContact N-O 2.72Å; V106-A172 PolarHBondContact O-N 2.9Å; L142-A172 HydrophobicContact CB-CB 4.3Å; L142-A172 HydrophobicContact CD1-CB 4.13Å; L142-A172 HydrophobicContact CD2-CB 4.44Å; Y146-A172 HydrophobicContact CD1-CB 4.02Å; Y146-A172 HydrophobicContact CD2-CB 3.79Å; Y146-A172 HydrophobicContact CE2-CB 4.41Å; Y146-A172 HydrophobicContact CG-CB 3.57Å; W148-A172 CarbonylContact O-C 3.42Å; W148-A172 WeakPolarHBondContact O-CA 3.26Å; V149-A172 HydrophobicContact CB-CB 4.5Å; V149-A172 HydrophobicContact CG1-CB 4.48Å; V149-A172 HydrophobicContact CG2-CB 4.05Å
173	T	97.5	Very high	95.9	Very high	8 Å²	8	38.8 Å²	38.8	5%	0.049	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	145.7	-174.3	51.3	0	0	0	0	111.4	L79 L104 D147 W148 Y175	L79-T173 HydrophobicContact CD1-CG2 3.57Å; L79-T173 HydrophobicContact CD2-CG2 4.13Å; L104-T173 WeakPolarHBondContact O-CA 3.46Å; D147-T173 PolarHBondContact N-O 2.88Å; W148-T173 PolarHBondContact N-O 3.19Å; W148-T173 VanDerWaalsContact N-O 3.16Å; W148-T173 PolarHBondContact O-N 2.88Å; T173-Y175 WeakPolarHBondContact CB-O 3.24Å; T173-Y175 HydrophobicContact CG2-CD1 4.5Å; T173-Y175 HydrophobicContact CG2-CE1 3.8Å; T173-Y175 HydrophobicContact CG2-CE2 4.21Å; T173-Y175 PolarHBondContact O-N 2.99Å; T173-Y175 PolarHBondContact OG1-O 2.78Å
174	K	95	Very high	96.6	Very high	107 Å²	107	38.6 Å²	38.6	47%	0.465	19%	0.193	S	C	.	.	S	Bend	trans	-80.8	20.5	172.9	-66.2	-162.7	169.6	-166.5	0	113.9	L104 D145 Y146 D147 R288	L104-K174 HydrophobicContact CB-CB 4.21Å; L104-K174 HydrophobicContact CB-CD 4.21Å; L104-K174 HydrophobicContact CB-CG 4.21Å; L104-K174 HydrophobicContact CD1-CD 4.33Å; L104-K174 PolarHBondContact O-N 3.02Å; D145-K174 WeakPolarHBondContact O-CE 3.33Å; Y146-K174 HydrophobicContact CD1-CG 3.86Å; Y146-K174 HydrophobicContact CE1-CG 4.22Å; D147-K174 VanDerWaalsContact OD2-O 3.06Å; K174-R288 PolarHBondContact O-NH2 2.57Å
175	Y	95	Very high	97.2	Very high	78 Å²	78	39.8 Å²	39.8	31%	0.306	20%	0.204	S	C	.	.	S	Bend	trans	-150	158.3	179.3	58.5	-87.5	0	0	0	108.2	A103 T173 P177	A103-Y175 HydrophobicContact CB-CE1 4.48Å; T173-Y175 WeakPolarHBondContact CB-O 3.24Å; T173-Y175 HydrophobicContact CG2-CD1 4.5Å; T173-Y175 HydrophobicContact CG2-CE1 3.8Å; T173-Y175 HydrophobicContact CG2-CE2 4.21Å; T173-Y175 PolarHBondContact O-N 2.99Å; T173-Y175 PolarHBondContact OG1-O 2.78Å; Y175-P177 WeakPolarHBondContact O-CD 3.03Å
176	L	97.1	Very high	97.5	Very high	23 Å²	23	40.5 Å²	40.5	12%	0.12	21%	0.209	C	C	.	.			trans	-79.6	123.2	170.1	-70.1	175.1	0	0	0	109.5	W148 T181 P285 Y289	W148-L176 HydrophobicContact CB-CD2 4.19Å; W148-L176 HydrophobicContact CD2-CD2 4.23Å; W148-L176 HydrophobicContact CE3-CD2 3.52Å; W148-L176 HydrophobicContact CZ3-CD2 4.3Å; L176-T181 VanDerWaalsContact CB-OG1 3.27Å; L176-T181 WeakPolarHBondContact CB-OG1 3.17Å; L176-T181 PolarHBondContact O-OG1 3.42Å; L176-P285 HydrophobicContact CD1-CG 4.29Å; L176-P285 HydrophobicContact CD2-CB 3.94Å; L176-P285 HydrophobicContact CD2-CG 3.76Å; L176-Y289 HydrophobicContact CD1-CE1 4.3Å; L176-Y289 HydrophobicContact CD1-CE2 4.06Å; L176-Y289 HydrophobicContact CG-CE2 4.09Å
177	P	98	Very high	97.7	Very high	36 Å²	36	40.4 Å²	40.4	23%	0.234	21%	0.209	C	C	.	.			trans	-65.3	170	173	-18.8	31.4	0	0	0	112.1	W148 Y175 I179 P180 T181	W148-P177 HydrophobicContact CB-CG 4.44Å; W148-P177 HydrophobicContact CG-CG 4.13Å; Y175-P177 WeakPolarHBondContact O-CD 3.03Å; P177-I179 PolarHBondContact O-N 3.4Å; P177-P180 HydrophobicContact CB-CG 4.21Å; P177-P180 HydrophobicContact CG-CG 4.28Å; P177-P180 WeakPolarHBondContact O-CD 3.39Å; P177-T181 WeakPolarHBondContact O-CB 3.32Å; P177-T181 PolarHBondContact O-N 3.15Å; P177-T181 PolarHBondContact O-OG1 2.97Å
178	N	97.8	Very high	97.8	Very high	143 Å²	143	43.2 Å²	43.2	77%	0.765	22%	0.222	S	C	*	.	H	α-helix	trans	-54.8	-55.4	-173.8	-65.6	-11.5	0	0	0	113.5	T181 V182	N178-T181 WeakPolarHBondContact O-CB 3.43Å; N178-T181 PolarHBondContact O-N 2.97Å; N178-V182 PolarHBondContact O-N 3.4Å; N178-V182 VanDerWaalsContact O-N 3.17Å
179	I	98	Very high	97.9	Very high	80 Å²	80	47.9 Å²	47.9	41%	0.41	24%	0.242	S	C	.	.	H	α-helix	trans	-63.3	-50.7	-177.2	-65.1	168.5	0	0	0	111.6	P177 T181 V182 M183 Y282	P177-I179 PolarHBondContact O-N 3.4Å; I179-T181 VanDerWaalsContact C-N 3.27Å; I179-T181 PolarHBondContact O-N 3.31Å; I179-V182 PolarHBondContact O-N 2.87Å; I179-M183 HydrophobicContact CG2-CE 3.62Å; I179-M183 HydrophobicContact CG2-CG 4.35Å; I179-M183 HydrophobicContact CG2-SD 3.89Å; I179-M183 WeakPolarHBondContact O-CG 3.29Å; I179-M183 PolarHBondContact O-N 2.82Å; I179-Y282 HydrophobicContact CG2-CE1 4.06Å
180	P	98.3	Very high	97.9	Very high	5 Å²	5	48.2 Å²	48.2	3%	0.032	24%	0.242	C	C	.	.	H	α-helix	trans	-55.2	-36.8	173.3	-31.4	38.7	0	0	0	114.9	W148 P177 M183 N184 Y282	W148-P180 HydrophobicContact CD2-CB 3.76Å; W148-P180 HydrophobicContact CD2-CG 3.8Å; W148-P180 HydrophobicContact CE3-CB 3.78Å; W148-P180 HydrophobicContact CE3-CG 4.31Å; W148-P180 HydrophobicContact CG-CG 4.4Å; W148-P180 HydrophobicContact CH2-CB 3.64Å; W148-P180 HydrophobicContact CH2-CG 3.91Å; W148-P180 HydrophobicContact CZ2-CB 3.64Å; W148-P180 HydrophobicContact CZ2-CG 3.34Å; W148-P180 HydrophobicContact CZ3-CB 3.71Å; W148-P180 HydrophobicContact CZ3-CG 4.35Å; P177-P180 HydrophobicContact CB-CG 4.21Å; P177-P180 HydrophobicContact CG-CG 4.28Å; P177-P180 WeakPolarHBondContact O-CD 3.39Å; P180-M183 PolarHBondContact O-N 3.16Å; P180-N184 WeakPolarHBondContact O-CB 3.2Å; P180-N184 PolarHBondContact O-N 3.47Å; P180-Y282 HydrophobicContact CG-CE1 4.43Å
181	T	98.4	Very high	97.9	Very high	55 Å²	55	50.3 Å²	50.3	34%	0.337	25%	0.252	S	S	.	.	H	α-helix	trans	-62.7	-48.7	177.7	-61.7	0	0	0	0	111.1	L176 P177 N178 I179 N184 C185	L176-T181 VanDerWaalsContact CB-OG1 3.27Å; L176-T181 WeakPolarHBondContact CB-OG1 3.17Å; L176-T181 PolarHBondContact O-OG1 3.42Å; P177-T181 WeakPolarHBondContact O-CB 3.32Å; P177-T181 PolarHBondContact O-N 3.15Å; P177-T181 PolarHBondContact O-OG1 2.97Å; N178-T181 WeakPolarHBondContact O-CB 3.43Å; N178-T181 PolarHBondContact O-N 2.97Å; I179-T181 VanDerWaalsContact C-N 3.27Å; I179-T181 PolarHBondContact O-N 3.31Å; T181-N184 PolarHBondContact O-N 3.18Å; T181-C185 PolarHBondContact O-N 2.83Å; T181-C185 VanDerWaalsContact O-N 3.11Å; T181-C185 PolarHBondContact O-SG 3.04Å; T181-C185 VanDerWaalsContact O-SG 3.33Å
182	V	98.5	Very high	97.9	Very high	61 Å²	61	54.6 Å²	54.6	37%	0.37	27%	0.268	S	S	.	.	H	α-helix	trans	-62	-48.8	177.2	178.5	0	0	0	0	110.5	K15 N178 I179 N184 C185 C186	K15-V182 WeakPolarHBondContact O-CG1 3.46Å; N178-V182 PolarHBondContact O-N 3.4Å; N178-V182 VanDerWaalsContact O-N 3.17Å; I179-V182 PolarHBondContact O-N 2.87Å; V182-N184 VanDerWaalsContact C-N 3.31Å; V182-N184 PolarHBondContact O-N 2.8Å; V182-C185 PolarHBondContact O-N 2.77Å; V182-C185 VanDerWaalsContact O-N 3.12Å; V182-C186 WeakPolarHBondContact O-CB 3.49Å; V182-C186 PolarHBondContact O-N 2.85Å; V182-C186 PolarHBondContact O-SG 2.86Å; V182-C186 VanDerWaalsContact O-SG 3.33Å
183	M	98.5	Very high	97.9	Very high	4 Å²	4	60.4 Å²	60.4	2%	0.02	30%	0.295	C	S	.	.	H	α-helix	trans	-58.8	-39.8	178.7	-71.9	178.8	171.6	0	0	113	L14 K15 I179 P180 Q187 Y282 W297	L14-M183 HydrophobicContact CB-CG 4.42Å; L14-M183 VanDerWaalsContact O-CA 3.32Å; L14-M183 WeakPolarHBondContact O-CA 3.47Å; L14-M183 WeakPolarHBondContact O-CG 3.3Å; K15-M183 HydrophobicContact CG-CE 4.41Å; I179-M183 HydrophobicContact CG2-CE 3.62Å; I179-M183 HydrophobicContact CG2-CG 4.35Å; I179-M183 HydrophobicContact CG2-SD 3.89Å; I179-M183 WeakPolarHBondContact O-CG 3.29Å; I179-M183 PolarHBondContact O-N 2.82Å; P180-M183 PolarHBondContact O-N 3.16Å; M183-Q187 WeakPolarHBondContact O-CB 3.41Å; M183-Q187 VanDerWaalsContact O-CG 3.3Å; M183-Q187 WeakPolarHBondContact O-CG 3.04Å; M183-Q187 PolarHBondContact O-N 2.72Å; M183-Q187 PolarHBondContact O-NE2 3.36Å; M183-Y282 HydrophobicContact CE-CD1 4.5Å; M183-Y282 HydrophobicContact CE-CD2 4.37Å; M183-Y282 HydrophobicContact CE-CE1 4.12Å; M183-Y282 HydrophobicContact CE-CE2 3.93Å; M183-Y282 HydrophobicContact SD-CD1 3.64Å; M183-Y282 HydrophobicContact SD-CD2 4.28Å; M183-Y282 HydrophobicContact SD-CE1 3.67Å; M183-Y282 HydrophobicContact SD-CE2 4.26Å; M183-Y282 HydrophobicContact SD-CG 3.98Å; M183-W297 HydrophobicContact CB-CH2 4.21Å
184	N	98.3	Very high	97.9	Very high	20 Å²	20	65 Å²	65	11%	0.107	32%	0.316	C	S	.	.	H	α-helix	trans	-59.9	-51.2	174.5	-178.3	66.7	0	0	0	110.8	P180 T181 V182 Q188 H296 W297	P180-N184 WeakPolarHBondContact O-CB 3.2Å; P180-N184 PolarHBondContact O-N 3.47Å; T181-N184 PolarHBondContact O-N 3.18Å; V182-N184 VanDerWaalsContact C-N 3.31Å; V182-N184 PolarHBondContact O-N 2.8Å; N184-Q188 VanDerWaalsContact O-CB 3.22Å; N184-Q188 WeakPolarHBondContact O-CB 3.49Å; N184-Q188 PolarHBondContact O-N 2.79Å; N184-H296 PolarHBondContact OD1-NE2 2.8Å; N184-W297 HydrophobicContact CB-CZ2 3.73Å; N184-W297 PolarHBondContact OD1-NE1 3.49Å
185	C	98.3	Very high	98.1	Very high	67 Å²	67	66.6 Å²	66.6	45%	0.453	33%	0.33	S	S	.	.	H	α-helix	trans	-62.3	-45.1	-178	-70.4	0	0	0	0	112	T181 V182 Q188 K189	T181-C185 PolarHBondContact O-N 2.83Å; T181-C185 VanDerWaalsContact O-N 3.11Å; T181-C185 PolarHBondContact O-SG 3.04Å; T181-C185 VanDerWaalsContact O-SG 3.33Å; V182-C185 PolarHBondContact O-N 2.77Å; V182-C185 VanDerWaalsContact O-N 3.12Å; C185-Q188 PolarHBondContact O-N 2.81Å; C185-K189 WeakPolarHBondContact O-CB 3.38Å; C185-K189 PolarHBondContact O-N 3.27Å
186	C	98.7	Very high	98.2	Very high	17 Å²	17	64.3 Å²	64.3	12%	0.115	33%	0.325	C	S	.	.	H	α-helix	trans	-64.1	-46.8	179.3	-68.7	0	0	0	0	112.2	P13 V182 K189 Y190 M198	P13-C186 VanDerWaalsContact O-CB 3.29Å; P13-C186 WeakPolarHBondContact O-CB 3.44Å; V182-C186 WeakPolarHBondContact O-CB 3.49Å; V182-C186 PolarHBondContact O-N 2.85Å; V182-C186 PolarHBondContact O-SG 2.86Å; V182-C186 VanDerWaalsContact O-SG 3.33Å; C186-K189 PolarHBondContact O-N 2.76Å; C186-Y190 PolarHBondContact O-N 2.93Å; C186-M198 HydrophobicContact CB-CE 4.43Å; C186-M198 WeakPolarHBondContact O-CE 3.14Å
187	Q	98.6	Very high	98.3	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-64.1	-42	176.4	-72.8	175.6	97.5	0	0	111.8	L14 M183 Y190 H191 M198 W297	L14-Q187 HydrophobicContact CD2-CG 3.9Å; M183-Q187 WeakPolarHBondContact O-CB 3.41Å; M183-Q187 VanDerWaalsContact O-CG 3.3Å; M183-Q187 WeakPolarHBondContact O-CG 3.04Å; M183-Q187 PolarHBondContact O-N 2.72Å; M183-Q187 PolarHBondContact O-NE2 3.36Å; Q187-Y190 PolarHBondContact O-N 3.46Å; Q187-H191 WeakPolarHBondContact O-CB 3.29Å; Q187-H191 PolarHBondContact O-N 2.73Å; Q187-M198 HydrophobicContact CG-SD 4.34Å; Q187-W297 VanDerWaalsContact NE2-CE3 3.35Å
188	Q	98.3	Very high	98.3	Very high	81 Å²	81	62.4 Å²	62.4	38%	0.379	31%	0.313	S	S	.	.	H	α-helix	trans	-65.4	-39.1	177.2	-169.2	-179.5	33.7	0	0	112.2	N184 C185 R192	N184-Q188 VanDerWaalsContact O-CB 3.22Å; N184-Q188 WeakPolarHBondContact O-CB 3.49Å; N184-Q188 PolarHBondContact O-N 2.79Å; C185-Q188 PolarHBondContact O-N 2.81Å; Q188-R192 WeakPolarHBondContact O-CG 3.38Å; Q188-R192 PolarHBondContact O-N 2.79Å; Q188-R192 PolarHBondContact O-NE 2.72Å
189	K	98.5	Very high	98.3	Very high	99 Å²	99	55.6 Å²	55.6	43%	0.43	28%	0.277	S	S	.	.	H	α-helix	trans	-60.2	-51.7	173.2	-179.8	-177.9	173.8	-174.2	0	110.7	C185 C186 H191 R192 E193	C185-K189 WeakPolarHBondContact O-CB 3.38Å; C185-K189 PolarHBondContact O-N 3.27Å; C186-K189 PolarHBondContact O-N 2.76Å; K189-H191 VanDerWaalsContact C-N 3.32Å; K189-H191 PolarHBondContact O-N 3.33Å; K189-R192 PolarHBondContact O-N 3.3Å; K189-E193 WeakPolarHBondContact CE-OE1 3.46Å; K189-E193 WeakPolarHBondContact CG-OE1 3.24Å; K189-E193 WeakPolarHBondContact O-CG 3.39Å; K189-E193 PolarHBondContact O-N 3.02Å
190	Y	98.7	Very high	98.3	Very high	38 Å²	38	53 Å²	53	15%	0.149	26%	0.264	C	S	.	.	H	α-helix	trans	-56.6	-46.2	177.7	-176.3	-83	0	0	0	112.2	C186 Q187 R192 E193 H194 S196 M198 D201	C186-Y190 PolarHBondContact O-N 2.93Å; Q187-Y190 PolarHBondContact O-N 3.46Å; Y190-R192 VanDerWaalsContact C-N 3.33Å; Y190-R192 PolarHBondContact O-N 2.63Å; Y190-E193 PolarHBondContact O-N 3.09Å; Y190-H194 HydrophobicContact CD1-CB 4.25Å; Y190-H194 AromaticContact CD2-CE1 3.89Å; Y190-H194 AromaticContact CD2-ND1 3.62Å; Y190-H194 HydrophobicContact CE1-CB 3.85Å; Y190-H194 AromaticContact CE2-CE1 3.83Å; Y190-H194 AromaticContact CE2-CG 3.95Å; Y190-H194 AromaticContact CE2-ND1 3.67Å; Y190-H194 AromaticContact CG-ND1 3.88Å; Y190-H194 AromaticContact CZ-CG 3.81Å; Y190-H194 AromaticContact CZ-ND1 3.97Å; Y190-H194 WeakPolarHBondContact O-CB 3.45Å; Y190-H194 PolarHBondContact O-N 3.32Å; Y190-H194 PolarHBondContact O-ND1 2.97Å; Y190-S196 WeakPolarHBondContact CD1-O 3.42Å; Y190-M198 VanDerWaalsContact CB-CE 3.48Å; Y190-M198 VanDerWaalsContact CD1-CA 3.44Å; Y190-M198 HydrophobicContact CD1-CB 3.65Å; Y190-M198 HydrophobicContact CD1-CG 4.38Å; Y190-M198 HydrophobicContact CD2-CB 4.28Å; Y190-M198 HydrophobicContact CD2-CE 4.09Å; Y190-M198 HydrophobicContact CD2-CG 4.15Å; Y190-M198 VanDerWaalsContact CE1-CA 3.45Å; Y190-M198 HydrophobicContact CE1-CB 4.12Å; Y190-M198 HydrophobicContact CE2-CG 4.49Å; Y190-M198 HydrophobicContact CG-CB 3.74Å; Y190-M198 HydrophobicContact CG-CE 3.96Å; Y190-M198 HydrophobicContact CG-CG 4.08Å; Y190-D201 PolarHBondContact OH-OD2 3.28Å
191	H	98.5	Very high	98.4	Very high	45 Å²	45	54.1 Å²	54.1	21%	0.208	27%	0.269	C	S	.	.	H	α-helix	trans	-61.5	-39.5	179.1	-178.1	-78.2	0	0	0	112.6	Q187 K189 N195 S196 S295 H296	Q187-H191 WeakPolarHBondContact O-CB 3.29Å; Q187-H191 PolarHBondContact O-N 2.73Å; K189-H191 VanDerWaalsContact C-N 3.32Å; K189-H191 PolarHBondContact O-N 3.33Å; H191-N195 WeakPolarHBondContact O-CA 3.24Å; H191-N195 PolarHBondContact O-N 3.03Å; H191-S196 VanDerWaalsContact CA-O 3.26Å; H191-S196 WeakPolarHBondContact CA-O 3.36Å; H191-S295 PolarHBondContact NE2-OG 3.35Å; H191-S295 VanDerWaalsContact NE2-OG 3.13Å; H191-H296 HydrophobicContact CB-CB 3.53Å
192	R	98.1	Very high	98.4	Very high	180 Å²	180	52.7 Å²	52.7	68%	0.679	26%	0.258	S	S	*	.	H	α-helix	trans	-65.8	-37.9	174.8	-73.6	-177.8	-65.5	160.3	-0.9	112.7	Q188 K189 Y190	Q188-R192 WeakPolarHBondContact O-CG 3.38Å; Q188-R192 PolarHBondContact O-N 2.79Å; Q188-R192 PolarHBondContact O-NE 2.72Å; K189-R192 PolarHBondContact O-N 3.3Å; Y190-R192 VanDerWaalsContact C-N 3.33Å; Y190-R192 PolarHBondContact O-N 2.63Å
193	E	98.2	Very high	98.4	Very high	121 Å²	121	50 Å²	50	57%	0.565	24%	0.242	S	C	*	.	H	α-helix	trans	-79.6	-36	-176.5	-71.1	171.5	-178.1	0	0	113.1	K189 Y190	K189-E193 WeakPolarHBondContact CE-OE1 3.46Å; K189-E193 WeakPolarHBondContact CG-OE1 3.24Å; K189-E193 WeakPolarHBondContact O-CG 3.39Å; K189-E193 PolarHBondContact O-N 3.02Å; Y190-E193 PolarHBondContact O-N 3.09Å
194	H	98.1	Very high	98.3	Very high	105 Å²	105	56 Å²	56	49%	0.486	27%	0.268	S	S	.	.	H	α-helix	trans	-112.2	-6.2	-171.7	-59.9	80.1	0	0	0	113.7	Y190 S196	Y190-H194 HydrophobicContact CD1-CB 4.25Å; Y190-H194 AromaticContact CD2-CE1 3.89Å; Y190-H194 AromaticContact CD2-ND1 3.62Å; Y190-H194 HydrophobicContact CE1-CB 3.85Å; Y190-H194 AromaticContact CE2-CE1 3.83Å; Y190-H194 AromaticContact CE2-CG 3.95Å; Y190-H194 AromaticContact CE2-ND1 3.67Å; Y190-H194 AromaticContact CG-ND1 3.88Å; Y190-H194 AromaticContact CZ-CG 3.81Å; Y190-H194 AromaticContact CZ-ND1 3.97Å; Y190-H194 WeakPolarHBondContact O-CB 3.45Å; Y190-H194 PolarHBondContact O-N 3.32Å; Y190-H194 PolarHBondContact O-ND1 2.97Å; H194-S196 PolarHBondContact O-N 2.93Å
195	N	97.5	Very high	98.3	Very high	141 Å²	141	63.7 Å²	63.7	75%	0.754	30%	0.295	S	S	*	.	S	Bend	trans	51.6	38.8	-174	-164.3	47.6	0	0	0	112.9	H191	H191-N195 WeakPolarHBondContact O-CA 3.24Å; H191-N195 PolarHBondContact O-N 3.03Å
196	S	97.8	Very high	98.3	Very high	30 Å²	30	60.7 Å²	60.7	21%	0.21	28%	0.275	C	S	.	.	S	Bend	trans	-153.2	163.9	-176.1	-174.1	0	0	0	0	111.3	Y190 H191 H194 D201	Y190-S196 WeakPolarHBondContact CD1-O 3.42Å; H191-S196 VanDerWaalsContact CA-O 3.26Å; H191-S196 WeakPolarHBondContact CA-O 3.36Å; H194-S196 PolarHBondContact O-N 2.93Å; S196-D201 WeakPolarHBondContact CB-OD2 3.17Å; S196-D201 PolarHBondContact OG-OD1 2.62Å; S196-D201 PolarHBondContact OG-OD2 3.16Å
197	C	98.4	Very high	98.3	Very high	8 Å²	8	64.5 Å²	64.5	5%	0.054	29%	0.292	C	S	.	.			trans	-87.4	124.3	177.3	-178.1	0	0	0	0	111.2	L199 L200 D201 H296	C197-L199 VanDerWaalsContact C-N 3.35Å; C197-L199 PolarHBondContact O-N 3.38Å; C197-L200 HydrophobicContact CB-CB 4.22Å; C197-L200 HydrophobicContact CB-CD1 3.87Å; C197-L200 HydrophobicContact CB-CG 4.06Å; C197-L200 PolarHBondContact O-N 3.34Å; C197-D201 PolarHBondContact O-N 2.95Å; C197-D201 VanDerWaalsContact O-N 3.11Å; C197-H296 PolarHBondContact SG-O 3.44Å; C197-H296 VanDerWaalsContact SG-O 3.35Å
198	M	98.7	Very high	98.2	Very high	11 Å²	11	68.9 Å²	68.9	5%	0.054	33%	0.328	C	S	.	.	H	α-helix	trans	-49.3	-50.6	-175.8	-178	-170.7	-72.8	0	0	113.3	P13 L14 C186 Q187 Y190 Y202	P13-M198 HydrophobicContact CB-CE 4.05Å; P13-M198 HydrophobicContact CB-SD 3.82Å; P13-M198 HydrophobicContact CG-SD 4.08Å; P13-M198 WeakPolarHBondContact O-CE 3.49Å; L14-M198 HydrophobicContact CD2-SD 3.97Å; L14-M198 HydrophobicContact CG-SD 4.33Å; C186-M198 HydrophobicContact CB-CE 4.43Å; C186-M198 WeakPolarHBondContact O-CE 3.14Å; Q187-M198 HydrophobicContact CG-SD 4.34Å; Y190-M198 VanDerWaalsContact CB-CE 3.48Å; Y190-M198 VanDerWaalsContact CD1-CA 3.44Å; Y190-M198 HydrophobicContact CD1-CB 3.65Å; Y190-M198 HydrophobicContact CD1-CG 4.38Å; Y190-M198 HydrophobicContact CD2-CB 4.28Å; Y190-M198 HydrophobicContact CD2-CE 4.09Å; Y190-M198 HydrophobicContact CD2-CG 4.15Å; Y190-M198 VanDerWaalsContact CE1-CA 3.45Å; Y190-M198 HydrophobicContact CE1-CB 4.12Å; Y190-M198 HydrophobicContact CE2-CG 4.49Å; Y190-M198 HydrophobicContact CG-CB 3.74Å; Y190-M198 HydrophobicContact CG-CE 3.96Å; Y190-M198 HydrophobicContact CG-CG 4.08Å; M198-Y202 WeakPolarHBondContact O-CB 3.43Å; M198-Y202 PolarHBondContact O-N 3.25Å
199	L	98.7	Very high	98.2	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-79.8	-22.3	-173.5	-65.2	-175.3	0	0	0	113.5	L14 C197 A203 W227 M235 L237 Q298 H300	L14-L199 HydrophobicContact CD1-CD1 4.45Å; L14-L199 HydrophobicContact CD1-CD2 4.05Å; L14-L199 HydrophobicContact CD2-CD1 4.14Å; L14-L199 HydrophobicContact CD2-CD2 4Å; L14-L199 HydrophobicContact CD2-CG 4.16Å; L14-L199 HydrophobicContact CG-CD2 4.12Å; C197-L199 VanDerWaalsContact C-N 3.35Å; C197-L199 PolarHBondContact O-N 3.38Å; L199-A203 VanDerWaalsContact O-CB 3.28Å; L199-A203 WeakPolarHBondContact O-CB 3.4Å; L199-A203 PolarHBondContact O-N 3.35Å; L199-W227 HydrophobicContact CD2-CH2 4.46Å; L199-W227 HydrophobicContact CD2-CZ2 4.47Å; L199-M235 HydrophobicContact CD2-CE 4.24Å; L199-M235 HydrophobicContact CD2-SD 4.43Å; L199-L237 HydrophobicContact CB-CD1 4.2Å; L199-Q298 HydrophobicContact CB-CB 3.73Å; L199-Q298 HydrophobicContact CB-CG 3.77Å; L199-Q298 HydrophobicContact CD1-CB 4.14Å; L199-Q298 HydrophobicContact CD1-CG 4.41Å; L199-Q298 HydrophobicContact CG-CB 4.39Å; L199-H300 HydrophobicContact CD1-CB 4.28Å; L199-H300 VanDerWaalsContact CD1-ND1 3.34Å; L199-H300 WeakPolarHBondContact CD1-ND1 3.32Å
200	L	98.3	Very high	98.1	Very high	25 Å²	25	64.6 Å²	64.6	13%	0.131	32%	0.32	C	S	.	.	H	α-helix	trans	-71.2	-42.2	170.7	-68.3	178.9	0	0	0	111.2	C197 Y202 A203 K204 H241 Q298	C197-L200 HydrophobicContact CB-CB 4.22Å; C197-L200 HydrophobicContact CB-CD1 3.87Å; C197-L200 HydrophobicContact CB-CG 4.06Å; C197-L200 PolarHBondContact O-N 3.34Å; L200-Y202 VanDerWaalsContact C-N 3.31Å; L200-A203 PolarHBondContact O-N 2.95Å; L200-K204 VanDerWaalsContact O-CG 3.31Å; L200-K204 WeakPolarHBondContact O-CG 3.29Å; L200-K204 PolarHBondContact O-N 3.04Å; L200-H241 HydrophobicContact CD1-CB 3.54Å; L200-Q298 HydrophobicContact CD2-CG 4.42Å
201	D	98.6	Very high	98	Very high	29 Å²	29	67.2 Å²	67.2	16%	0.155	33%	0.329	C	S	.	.	H	α-helix	trans	-67.6	-35.9	175.3	-71.3	-20.3	0	0	0	111.7	Y190 S196 C197 K204 R205	Y190-D201 PolarHBondContact OH-OD2 3.28Å; S196-D201 WeakPolarHBondContact CB-OD2 3.17Å; S196-D201 PolarHBondContact OG-OD1 2.62Å; S196-D201 PolarHBondContact OG-OD2 3.16Å; C197-D201 PolarHBondContact O-N 2.95Å; C197-D201 VanDerWaalsContact O-N 3.11Å; D201-K204 IonicContact OD1-NZ 2.91Å; D201-K204 PolarHBondContact OD1-NZ 3.1Å; D201-R205 VanDerWaalsContact O-CG 3.3Å; D201-R205 WeakPolarHBondContact O-CG 3.45Å; D201-R205 PolarHBondContact O-N 3.36Å
202	Y	98.6	Very high	98	Very high	24 Å²	24	65.7 Å²	65.7	9%	0.094	32%	0.322	C	S	.	.	H	α-helix	trans	-62	-49	169.9	175.1	-101.8	0	0	0	112.2	M198 L200 K204 R205 E206 V223 P225 F226 W227 M235	M198-Y202 WeakPolarHBondContact O-CB 3.43Å; M198-Y202 PolarHBondContact O-N 3.25Å; L200-Y202 VanDerWaalsContact C-N 3.31Å; Y202-K204 VanDerWaalsContact C-N 3.34Å; Y202-K204 PolarHBondContact O-N 3.18Å; Y202-R205 PolarHBondContact O-N 3.3Å; Y202-R205 VanDerWaalsContact O-N 3.1Å; Y202-E206 HydrophobicContact CD1-CG 4.24Å; Y202-E206 HydrophobicContact CD2-CG 4.26Å; Y202-E206 HydrophobicContact CE1-CG 3.66Å; Y202-E206 HydrophobicContact CE2-CG 3.71Å; Y202-E206 WeakPolarHBondContact CE2-OE1 3.06Å; Y202-E206 VanDerWaalsContact CZ-OE1 3.3Å; Y202-E206 PolarHBondContact O-N 3.34Å; Y202-E206 PolarHBondContact OH-OE1 2.95Å; Y202-V223 HydrophobicContact CE1-CG2 3.96Å; Y202-P225 WeakPolarHBondContact OH-CA 3.18Å; Y202-F226 HydrophobicContact CE2-CB 4.42Å; Y202-F226 PolarHBondContact OH-N 3.11Å; Y202-W227 HydrophobicContact CD1-CH2 4.03Å; Y202-W227 AromaticContact CD2-CH2 3.53Å; Y202-W227 HydrophobicContact CD2-CH2 3.53Å; Y202-W227 AromaticContact CD2-CZ3 3.52Å; Y202-W227 HydrophobicContact CD2-CZ3 3.52Å; Y202-W227 HydrophobicContact CE1-CH2 4Å; Y202-W227 HydrophobicContact CE2-CE3 4.27Å; Y202-W227 AromaticContact CE2-CH2 3.47Å; Y202-W227 HydrophobicContact CE2-CH2 3.47Å; Y202-W227 VanDerWaalsContact CE2-CH2 3.47Å; Y202-W227 AromaticContact CE2-CZ3 3.31Å; Y202-W227 HydrophobicContact CE2-CZ3 3.31Å; Y202-W227 AromaticContact CG-CH2 3.79Å; Y202-W227 HydrophobicContact CG-CH2 3.79Å; Y202-W227 HydrophobicContact CG-CZ3 4.26Å; Y202-W227 AromaticContact CZ-CH2 3.7Å; Y202-W227 AromaticContact CZ-CZ3 3.92Å; Y202-M235 HydrophobicContact CD1-CE 3.61Å; Y202-M235 HydrophobicContact CE1-CE 3.23Å
203	A	98.3	Very high	98	Very high	4 Å²	4	58.1 Å²	58.1	3%	0.033	30%	0.296	C	S	.	.	H	α-helix	trans	-56.9	-46.8	178.7	0	0	0	0	0	111.7	L199 L200 R205 E206 M207 L221 L237	L199-A203 VanDerWaalsContact O-CB 3.28Å; L199-A203 WeakPolarHBondContact O-CB 3.4Å; L199-A203 PolarHBondContact O-N 3.35Å; L200-A203 PolarHBondContact O-N 2.95Å; A203-R205 VanDerWaalsContact C-N 3.3Å; A203-R205 PolarHBondContact O-N 2.79Å; A203-E206 PolarHBondContact O-N 3.25Å; A203-M207 WeakPolarHBondContact O-CB 3.24Å; A203-M207 VanDerWaalsContact O-CG 3.28Å; A203-M207 WeakPolarHBondContact O-CG 3.49Å; A203-M207 PolarHBondContact O-N 3.2Å; A203-L221 HydrophobicContact CB-CD2 3.96Å; A203-L237 HydrophobicContact CB-CD1 3.93Å
204	K	98	Very high	98.1	Very high	132 Å²	132	52.9 Å²	52.9	57%	0.574	27%	0.272	S	S	*	.	H	α-helix	trans	-56.6	-42.7	175.8	-71.1	169.6	-170.2	165.5	0	112.1	L200 D201 Y202 A208	L200-K204 VanDerWaalsContact O-CG 3.31Å; L200-K204 WeakPolarHBondContact O-CG 3.29Å; L200-K204 PolarHBondContact O-N 3.04Å; D201-K204 IonicContact OD1-NZ 2.91Å; D201-K204 PolarHBondContact OD1-NZ 3.1Å; Y202-K204 VanDerWaalsContact C-N 3.34Å; Y202-K204 PolarHBondContact O-N 3.18Å; K204-A208 WeakPolarHBondContact O-CB 3.23Å; K204-A208 PolarHBondContact O-N 2.8Å; K204-A208 VanDerWaalsContact O-N 3.1Å
205	R	98.2	Very high	98	Very high	180 Å²	180	49.3 Å²	49.3	68%	0.679	26%	0.256	S	S	*	.	H	α-helix	trans	-68.4	-40.8	178.3	-69.7	175.2	-170.3	-154.3	3.9	112.1	D201 Y202 A203 A208 D209	D201-R205 VanDerWaalsContact O-CG 3.3Å; D201-R205 WeakPolarHBondContact O-CG 3.45Å; D201-R205 PolarHBondContact O-N 3.36Å; Y202-R205 PolarHBondContact O-N 3.3Å; Y202-R205 VanDerWaalsContact O-N 3.1Å; A203-R205 VanDerWaalsContact C-N 3.3Å; A203-R205 PolarHBondContact O-N 2.79Å; R205-A208 PolarHBondContact O-N 3.41Å; R205-D209 WeakPolarHBondContact O-CB 3.15Å; R205-D209 PolarHBondContact O-N 2.78Å
206	E	98.4	Very high	98	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.019	24%	0.244	C	C	.	.	H	α-helix	trans	-67.6	-39.5	176.7	-72.8	-63.3	176.9	0	0	112.5	Y202 A203 A208 D209 G210 R212 L221 V223	Y202-E206 HydrophobicContact CD1-CG 4.24Å; Y202-E206 HydrophobicContact CD2-CG 4.26Å; Y202-E206 HydrophobicContact CE1-CG 3.66Å; Y202-E206 HydrophobicContact CE2-CG 3.71Å; Y202-E206 WeakPolarHBondContact CE2-OE1 3.06Å; Y202-E206 VanDerWaalsContact CZ-OE1 3.3Å; Y202-E206 PolarHBondContact O-N 3.34Å; Y202-E206 PolarHBondContact OH-OE1 2.95Å; A203-E206 PolarHBondContact O-N 3.25Å; E206-A208 VanDerWaalsContact C-N 3.29Å; E206-A208 PolarHBondContact O-N 3.49Å; E206-D209 PolarHBondContact O-N 3Å; E206-G210 WeakPolarHBondContact O-CA 3.43Å; E206-G210 PolarHBondContact O-N 2.95Å; E206-R212 IonicContact OE1-CZ 3.26Å; E206-R212 IonicContact OE1-NE 3.19Å; E206-R212 PolarHBondContact OE1-NE 3.26Å; E206-R212 IonicContact OE1-NH2 2.8Å; E206-R212 PolarHBondContact OE1-NH2 3.22Å; E206-R212 IonicContact OE2-CZ 3.38Å; E206-R212 IonicContact OE2-NE 3.79Å; E206-R212 PolarHBondContact OE2-NE 2.94Å; E206-R212 IonicContact OE2-NH2 3.67Å; E206-R212 PolarHBondContact OE2-NH2 3.42Å; E206-L221 HydrophobicContact CB-CD2 4.26Å; E206-V223 HydrophobicContact CB-CG1 3.92Å; E206-V223 HydrophobicContact CG-CG1 4.1Å
207	M	97.4	Very high	97.9	Very high	98 Å²	98	46.7 Å²	46.7	48%	0.483	24%	0.243	S	C	.	.	H	α-helix	trans	-63.4	-36	174.3	-69.3	174.6	75.4	0	0	112	A203 L221 V239	A203-M207 WeakPolarHBondContact O-CB 3.24Å; A203-M207 VanDerWaalsContact O-CG 3.28Å; A203-M207 WeakPolarHBondContact O-CG 3.49Å; A203-M207 PolarHBondContact O-N 3.2Å; M207-L221 HydrophobicContact CG-CD1 4.12Å; M207-L221 HydrophobicContact CG-CD2 3.91Å; M207-V239 HydrophobicContact CE-CG1 4.28Å; M207-V239 HydrophobicContact SD-CG1 3.93Å
208	A	97.9	Very high	97.8	Very high	92 Å²	92	52.9 Å²	52.9	76%	0.76	28%	0.275	S	S	*	.	H	α-helix	trans	-74	-34.1	176.7	0	0	0	0	0	113.7	K204 R205 E206	K204-A208 WeakPolarHBondContact O-CB 3.23Å; K204-A208 PolarHBondContact O-N 2.8Å; K204-A208 VanDerWaalsContact O-N 3.1Å; R205-A208 PolarHBondContact O-N 3.41Å; E206-A208 VanDerWaalsContact C-N 3.29Å; E206-A208 PolarHBondContact O-N 3.49Å
209	D	97.3	Very high	97.8	Very high	59 Å²	59	54 Å²	54	32%	0.316	28%	0.28	S	S	.	.	H	α-helix	trans	-83.4	-43.6	179.3	-172.4	-5.4	0	0	0	111.9	R205 E206 R211 R212	R205-D209 WeakPolarHBondContact O-CB 3.15Å; R205-D209 PolarHBondContact O-N 2.78Å; E206-D209 PolarHBondContact O-N 3Å; D209-R211 PolarHBondContact O-N 2.82Å; D209-R211 WeakPolarHBondContact OD1-CG 3.12Å; D209-R211 IonicContact OD1-CZ 3.84Å; D209-R211 IonicContact OD1-NE 3.19Å; D209-R211 PolarHBondContact OD1-NE 2.87Å; D209-R211 IonicContact OD1-NH2 2.69Å; D209-R211 PolarHBondContact OD1-NH2 3.22Å; D209-R211 IonicContact OD2-CZ 3.48Å; D209-R211 IonicContact OD2-NE 2.71Å; D209-R211 PolarHBondContact OD2-NE 2.91Å; D209-R211 IonicContact OD2-NH2 3.69Å; D209-R211 PolarHBondContact OD2-NH2 3.48Å; D209-R212 IonicContact OD2-CZ 3.4Å; D209-R212 IonicContact OD2-NH1 2.75Å; D209-R212 IonicContact OD2-NH2 3.22Å; D209-R212 PolarHBondContact OD2-NH2 3.18Å
210	G	96.9	Very high	97.8	Very high	30 Å²	30	54 Å²	54	31%	0.309	28%	0.28	S	S	.	.			trans	73.7	-23.3	178.3	0	0	0	0	0	115.6	E206 R212 T213	E206-G210 WeakPolarHBondContact O-CA 3.43Å; E206-G210 PolarHBondContact O-N 2.95Å; G210-R212 VanDerWaalsContact C-N 3.28Å; G210-R212 PolarHBondContact O-N 3.44Å; G210-R212 VanDerWaalsContact O-N 3.15Å; G210-T213 WeakPolarHBondContact O-CB 3.45Å; G210-T213 PolarHBondContact O-N 2.96Å; G210-T213 VanDerWaalsContact O-N 3.08Å
211	R	97.3	Very high	97.8	Very high	94 Å²	94	52.9 Å²	52.9	36%	0.355	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-35.2	-173.4	-76	-175.5	-64.5	-171.5	-9.7	114.9	D209 E333 R340	D209-R211 PolarHBondContact O-N 2.82Å; D209-R211 WeakPolarHBondContact OD1-CG 3.12Å; D209-R211 IonicContact OD1-CZ 3.84Å; D209-R211 IonicContact OD1-NE 3.19Å; D209-R211 PolarHBondContact OD1-NE 2.87Å; D209-R211 IonicContact OD1-NH2 2.69Å; D209-R211 PolarHBondContact OD1-NH2 3.22Å; D209-R211 IonicContact OD2-CZ 3.48Å; D209-R211 IonicContact OD2-NE 2.71Å; D209-R211 PolarHBondContact OD2-NE 2.91Å; D209-R211 IonicContact OD2-NH2 3.69Å; D209-R211 PolarHBondContact OD2-NH2 3.48Å; R211-E333 HydrophobicContact CB-CG 4.41Å; R211-R340 PolarHBondContact O-NH1 3.09Å
212	R	98.3	Very high	97.8	Very high	13 Å²	13	51.5 Å²	51.5	5%	0.049	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-2.3	-179	-77	171	-60.7	-66.6	-21.6	113.5	E206 D209 G210 V214 V223 V224 P332 E333 A336	E206-R212 IonicContact OE1-CZ 3.26Å; E206-R212 IonicContact OE1-NE 3.19Å; E206-R212 PolarHBondContact OE1-NE 3.26Å; E206-R212 IonicContact OE1-NH2 2.8Å; E206-R212 PolarHBondContact OE1-NH2 3.22Å; E206-R212 IonicContact OE2-CZ 3.38Å; E206-R212 IonicContact OE2-NE 3.79Å; E206-R212 PolarHBondContact OE2-NE 2.94Å; E206-R212 IonicContact OE2-NH2 3.67Å; E206-R212 PolarHBondContact OE2-NH2 3.42Å; D209-R212 IonicContact OD2-CZ 3.4Å; D209-R212 IonicContact OD2-NH1 2.75Å; D209-R212 IonicContact OD2-NH2 3.22Å; D209-R212 PolarHBondContact OD2-NH2 3.18Å; G210-R212 VanDerWaalsContact C-N 3.28Å; G210-R212 PolarHBondContact O-N 3.44Å; G210-R212 VanDerWaalsContact O-N 3.15Å; R212-V214 PolarHBondContact O-N 3.14Å; R212-V223 CarbonylContact O-C 3.55Å; R212-V223 WeakPolarHBondContact O-CA 3.38Å; R212-V223 WeakPolarHBondContact O-CB 3.25Å; R212-V224 WeakPolarHBondContact CB-O 3.39Å; R212-V224 WeakPolarHBondContact CD-O 3.36Å; R212-V224 PolarHBondContact O-N 3.24Å; R212-P332 HydrophobicContact CG-CB 4.26Å; R212-E333 WeakPolarHBondContact CD-OE1 3.49Å; R212-E333 HydrophobicContact CG-CG 4.12Å; R212-E333 IonicContact CZ-OE1 2.72Å; R212-E333 IonicContact NE-OE1 3.76Å; R212-E333 IonicContact NH1-OE1 3.57Å; R212-E333 PolarHBondContact NH1-OE1 2.83Å; R212-A336 WeakPolarHBondContact O-CB 3.41Å
213	T	98.3	Very high	97.8	Very high	21 Å²	21	50.3 Å²	50.3	13%	0.129	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	127.6	176.8	-57.6	0	0	0	0	110.1	G210 L221 R340	G210-T213 WeakPolarHBondContact O-CB 3.45Å; G210-T213 PolarHBondContact O-N 2.96Å; G210-T213 VanDerWaalsContact O-N 3.08Å; T213-L221 HydrophobicContact CG2-CD1 3.84Å; T213-R340 VanDerWaalsContact O-CD 3.3Å; T213-R340 WeakPolarHBondContact O-CD 3.4Å; T213-R340 PolarHBondContact O-NH1 3.38Å
214	V	98.3	Very high	97.8	Very high	11 Å²	11	50.1 Å²	50.1	7%	0.067	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-52.9	174.1	177.5	0	0	0	0	109.2	R212 I222 V224 T234 L263 I266 A336 L339	R212-V214 PolarHBondContact O-N 3.14Å; V214-I222 HydrophobicContact CB-CB 4.49Å; V214-I222 HydrophobicContact CB-CG2 4.26Å; V214-I222 PolarHBondContact N-O 3.07Å; V214-V224 HydrophobicContact CG2-CG2 3.87Å; V214-T234 HydrophobicContact CG2-CG2 4.08Å; V214-L263 HydrophobicContact CG1-CD1 4.47Å; V214-I266 HydrophobicContact CG1-CD1 4Å; V214-A336 HydrophobicContact CG2-CB 4.42Å; V214-L339 HydrophobicContact CG1-CB 3.98Å; V214-L339 HydrophobicContact CG1-CD1 4.41Å; V214-L339 HydrophobicContact CG2-CB 4.27Å; V214-L339 HydrophobicContact CG2-CD1 3.76Å
215	L	96.8	Very high	97.9	Very high	30 Å²	30	44 Å²	44	16%	0.157	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	158.8	174.2	70.8	91	0	0	0	110.6	I222 A259 L263 I266	L215-I222 HydrophobicContact CD1-CB 4.43Å; L215-I222 HydrophobicContact CD1-CD1 3.58Å; L215-I222 HydrophobicContact CD1-CG1 3.78Å; L215-I222 HydrophobicContact CD2-CD1 3.64Å; L215-I222 HydrophobicContact CD2-CG1 4.44Å; L215-I222 HydrophobicContact CG-CB 3.98Å; L215-I222 HydrophobicContact CG-CD1 3.56Å; L215-I222 HydrophobicContact CG-CG1 3.82Å; L215-I222 PolarHBondContact N-O 2.9Å; L215-I222 PolarHBondContact O-N 2.91Å; L215-A259 HydrophobicContact CD1-CB 4.11Å; L215-L263 HydrophobicContact CD2-CB 4.17Å; L215-I266 HydrophobicContact CD2-CD1 3.97Å
216	T	97.2	Very high	97.9	Very high	80 Å²	80	38.3 Å²	38.3	49%	0.491	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	149.3	171.9	-174.7	0	0	0	0	108.5	W220	T216-W220 VanDerWaalsContact CA-O 3.3Å; T216-W220 WeakPolarHBondContact CA-O 3.4Å; T216-W220 PolarHBondContact OG1-O 3.43Å
217	N	96.6	Very high	97.9	Very high	35 Å²	35	38.9 Å²	38.9	19%	0.187	22%	0.217	C	C	.	.			trans	-134.4	-170	164.9	66.6	20.3	0	0	0	108.8	H219 W220 S255	N217-H219 PolarHBondContact O-N 2.87Å; N217-H219 PolarHBondContact OD1-N 3Å; N217-H219 VanDerWaalsContact OD1-N 3.13Å; N217-W220 PolarHBondContact N-O 2.94Å; N217-W220 WeakPolarHBondContact OD1-CB 3.23Å; N217-W220 PolarHBondContact OD1-N 3.49Å; N217-S255 PolarHBondContact ND2-O 3Å; N217-S255 PolarHBondContact ND2-OG 3.41Å; N217-S255 PolarHBondContact OD1-OG 2.54Å
218	D	96	Very high	97.9	Very high	138 Å²	138	34.2 Å²	34.2	74%	0.738	19%	0.194	S	C	*	.	S	Bend	trans	-55.3	-28.7	-174.2	-61.9	-20.9	0	0	0	114.2
219	H	98.4	Very high	97.9	Very high	35 Å²	35	30.7 Å²	30.7	16%	0.162	16%	0.163	C	C	.	.	S	Bend	trans	-122.4	-16.9	-170.6	-63.5	-69.5	0	0	0	114.1	N217 P238 V239 E251 E252	N217-H219 PolarHBondContact O-N 2.87Å; N217-H219 PolarHBondContact OD1-N 3Å; N217-H219 VanDerWaalsContact OD1-N 3.13Å; H219-P238 CarbonylContact O-C 3.54Å; H219-P238 VanDerWaalsContact O-CA 3.24Å; H219-P238 WeakPolarHBondContact O-CA 3.34Å; H219-V239 PolarHBondContact O-N 3.08Å; H219-E251 IonicContact CD2-OE1 3.39Å; H219-E251 IonicContact CE1-OE1 2.63Å; H219-E251 IonicContact NE2-OE1 3.9Å; H219-E251 PolarHBondContact NE2-OE1 3.17Å; H219-E252 HydrophobicContact CB-CG 3.99Å
220	W	98.7	Very high	97.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.2	-170.3	-61.7	90.4	0	0	0	113	T216 N217 L236 P238 L248 E252 L256 A259 W281 L299	T216-W220 VanDerWaalsContact CA-O 3.3Å; T216-W220 WeakPolarHBondContact CA-O 3.4Å; T216-W220 PolarHBondContact OG1-O 3.43Å; N217-W220 PolarHBondContact N-O 2.94Å; N217-W220 WeakPolarHBondContact OD1-CB 3.23Å; N217-W220 PolarHBondContact OD1-N 3.49Å; W220-L236 HydrophobicContact CD2-CD2 4.4Å; W220-L236 HydrophobicContact CE3-CD2 3.39Å; W220-L236 HydrophobicContact CE3-CG 4Å; W220-L236 HydrophobicContact CH2-CD2 4.46Å; W220-L236 HydrophobicContact CZ3-CD2 3.42Å; W220-L236 VanDerWaalsContact CZ3-CD2 3.42Å; W220-L236 HydrophobicContact CZ3-CG 4.48Å; W220-P238 HydrophobicContact CD2-CB 4.34Å; W220-P238 HydrophobicContact CE3-CB 4.03Å; W220-P238 HydrophobicContact CE3-CG 4.47Å; W220-P238 VanDerWaalsContact CE3-N 3.34Å; W220-P238 HydrophobicContact CH2-CB 4.04Å; W220-P238 HydrophobicContact CH2-CG 4.1Å; W220-P238 HydrophobicContact CZ2-CB 4.32Å; W220-P238 HydrophobicContact CZ3-CB 3.89Å; W220-P238 VanDerWaalsContact CZ3-CD 3.46Å; W220-P238 HydrophobicContact CZ3-CG 3.91Å; W220-L248 HydrophobicContact CH2-CD1 4.03Å; W220-L248 HydrophobicContact CH2-CD2 3.98Å; W220-L248 HydrophobicContact CZ2-CD1 3.86Å; W220-L248 HydrophobicContact CZ2-CD2 3.74Å; W220-L248 HydrophobicContact CZ2-CG 4.49Å; W220-E252 PolarHBondContact NE1-O 2.74Å; W220-L256 HydrophobicContact CD2-CB 4.32Å; W220-L256 HydrophobicContact CD2-CD1 3.92Å; W220-L256 HydrophobicContact CE3-CD1 3.99Å; W220-L256 HydrophobicContact CH2-CB 4.48Å; W220-L256 HydrophobicContact CH2-CD1 3.96Å; W220-L256 HydrophobicContact CH2-CD2 3.91Å; W220-L256 HydrophobicContact CH2-CG 4.34Å; W220-L256 HydrophobicContact CZ2-CB 3.64Å; W220-L256 HydrophobicContact CZ2-CD1 3.89Å; W220-L256 HydrophobicContact CZ2-CD2 3.76Å; W220-L256 HydrophobicContact CZ2-CG 3.96Å; W220-L256 HydrophobicContact CZ3-CD1 4Å; W220-A259 HydrophobicContact CB-CB 4.26Å; W220-W281 HydrophobicContact CH2-CH2 4.09Å; W220-W281 HydrophobicContact CH2-CZ3 4.28Å; W220-W281 HydrophobicContact CZ3-CH2 4.04Å; W220-W281 HydrophobicContact CZ3-CZ3 4.12Å; W220-L299 HydrophobicContact CH2-CD2 4.05Å
221	L	98.7	Very high	97.9	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	134	172.3	174.8	66.3	0	0	0	108.7	A203 E206 M207 T213 V223 L236 L237 V239	A203-L221 HydrophobicContact CB-CD2 3.96Å; E206-L221 HydrophobicContact CB-CD2 4.26Å; M207-L221 HydrophobicContact CG-CD1 4.12Å; M207-L221 HydrophobicContact CG-CD2 3.91Å; T213-L221 HydrophobicContact CG2-CD1 3.84Å; L221-V223 HydrophobicContact CD1-CG1 3.88Å; L221-V223 HydrophobicContact CD2-CG1 3.91Å; L221-V223 HydrophobicContact CG-CG1 3.78Å; L221-L236 WeakPolarHBondContact O-CA 3.43Å; L221-L237 HydrophobicContact CB-CD2 4.37Å; L221-L237 HydrophobicContact CD2-CD2 4.32Å; L221-L237 HydrophobicContact CG-CD2 4.4Å; L221-L237 PolarHBondContact N-O 2.84Å; L221-L237 PolarHBondContact O-N 2.73Å; L221-V239 HydrophobicContact CB-CG1 4.2Å
222	I	98.8	Very high	97.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	125.9	168.8	-48.5	-172	0	0	0	108.9	V214 L215 T234 M235 L236 A259 L263	V214-I222 HydrophobicContact CB-CB 4.49Å; V214-I222 HydrophobicContact CB-CG2 4.26Å; V214-I222 PolarHBondContact N-O 3.07Å; L215-I222 HydrophobicContact CD1-CB 4.43Å; L215-I222 HydrophobicContact CD1-CD1 3.58Å; L215-I222 HydrophobicContact CD1-CG1 3.78Å; L215-I222 HydrophobicContact CD2-CD1 3.64Å; L215-I222 HydrophobicContact CD2-CG1 4.44Å; L215-I222 HydrophobicContact CG-CB 3.98Å; L215-I222 HydrophobicContact CG-CD1 3.56Å; L215-I222 HydrophobicContact CG-CG1 3.82Å; L215-I222 PolarHBondContact N-O 2.9Å; L215-I222 PolarHBondContact O-N 2.91Å; I222-T234 HydrophobicContact CG2-CG2 4.13Å; I222-M235 WeakPolarHBondContact CA-O 3.48Å; I222-L236 HydrophobicContact CD1-CB 4.48Å; I222-L236 HydrophobicContact CD1-CD1 3.7Å; I222-L236 HydrophobicContact CD1-CG 4.38Å; I222-L236 HydrophobicContact CG1-CB 4.11Å; I222-L236 HydrophobicContact CG1-CD1 3.96Å; I222-L236 HydrophobicContact CG1-CG 4.11Å; I222-A259 HydrophobicContact CD1-CB 4.37Å; I222-L263 HydrophobicContact CD1-CB 3.75Å; I222-L263 HydrophobicContact CD1-CD2 3.97Å; I222-L263 HydrophobicContact CD1-CG 4.28Å; I222-L263 HydrophobicContact CG2-CD1 4.18Å; I222-L263 HydrophobicContact CG2-CD2 4.21Å
223	V	98.8	Very high	97.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	157	178.8	-59.3	0	0	0	0	110.8	Y202 E206 R212 L221 P225 T234 M235	Y202-V223 HydrophobicContact CE1-CG2 3.96Å; E206-V223 HydrophobicContact CB-CG1 3.92Å; E206-V223 HydrophobicContact CG-CG1 4.1Å; R212-V223 CarbonylContact O-C 3.55Å; R212-V223 WeakPolarHBondContact O-CA 3.38Å; R212-V223 WeakPolarHBondContact O-CB 3.25Å; L221-V223 HydrophobicContact CD1-CG1 3.88Å; L221-V223 HydrophobicContact CD2-CG1 3.91Å; L221-V223 HydrophobicContact CG-CG1 3.78Å; V223-P225 WeakPolarHBondContact O-CD 3.46Å; V223-T234 CarbonylContact O-C 3.56Å; V223-T234 WeakPolarHBondContact O-CA 3.42Å; V223-T234 WeakPolarHBondContact O-CB 3.31Å; V223-M235 HydrophobicContact CG2-CB 4.32Å; V223-M235 HydrophobicContact CG2-CE 4.39Å; V223-M235 PolarHBondContact N-O 2.87Å; V223-M235 PolarHBondContact O-N 3.05Å
224	V	98.7	Very high	97.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.124	C	C	.	.			trans	-82.3	110.5	155	-179.9	0	0	0	0	107.1	R212 V214 A228 E233 T234 P332 A335 A336 L339	R212-V224 WeakPolarHBondContact CB-O 3.39Å; R212-V224 WeakPolarHBondContact CD-O 3.36Å; R212-V224 PolarHBondContact O-N 3.24Å; V214-V224 HydrophobicContact CG2-CG2 3.87Å; V224-A228 HydrophobicContact CG1-CB 3.89Å; V224-E233 WeakPolarHBondContact CA-O 3.44Å; V224-E233 WeakPolarHBondContact CG1-O 3.4Å; V224-T234 HydrophobicContact CG2-CG2 4.22Å; V224-P332 HydrophobicContact CG1-CB 3.82Å; V224-A335 HydrophobicContact CG1-CB 4.13Å; V224-A335 HydrophobicContact CG2-CB 4.26Å; V224-A336 HydrophobicContact CB-CB 4.14Å; V224-A336 HydrophobicContact CG2-CB 3.79Å; V224-L339 HydrophobicContact CG2-CD1 3.81Å
225	P	98.6	Very high	97.9	Very high	2 Å²	2	24 Å²	24	1%	0.013	12%	0.122	C	C	.	.			trans	-61.5	147.7	-169.3	19.3	-27.7	0	0	0	112.4	Y202 V223 W227 A228 E233 M235	Y202-P225 WeakPolarHBondContact OH-CA 3.18Å; V223-P225 WeakPolarHBondContact O-CD 3.46Å; P225-W227 HydrophobicContact CB-CD2 4.27Å; P225-W227 HydrophobicContact CB-CG 4.47Å; P225-W227 HydrophobicContact CB-CZ2 4.28Å; P225-W227 PolarHBondContact O-N 2.69Å; P225-A228 HydrophobicContact CG-CB 3.84Å; P225-A228 WeakPolarHBondContact O-CB 3.45Å; P225-A228 PolarHBondContact O-N 3.27Å; P225-E233 HydrophobicContact CG-CG 4.24Å; P225-M235 HydrophobicContact CB-CB 4.5Å; P225-M235 HydrophobicContact CG-CB 4.23Å
226	F	98.3	Very high	98	Very high	62 Å²	62	22.5 Å²	22.5	27%	0.272	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-30.8	179.2	178.6	-99.6	0	0	0	112.9	R10 Y202	R10-F226 HydrophobicContact CB-CD1 4.18Å; R10-F226 HydrophobicContact CB-CE1 3.7Å; R10-F226 HydrophobicContact CB-CZ 4.25Å; R10-F226 WeakPolarHBondContact CD-O 3.3Å; R10-F226 HydrophobicContact CG-CD1 4.43Å; R10-F226 HydrophobicContact CG-CE1 3.72Å; R10-F226 HydrophobicContact CG-CE2 4.45Å; R10-F226 HydrophobicContact CG-CZ 3.73Å; R10-F226 VanDerWaalsContact NH1-CD2 3.32Å; R10-F226 PolarHBondContact NH1-O 2.8Å; Y202-F226 HydrophobicContact CE2-CB 4.42Å; Y202-F226 PolarHBondContact OH-N 3.11Å
227	W	98.2	Very high	98.1	Very high	15 Å²	15	18.7 Å²	18.7	6%	0.057	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	19.1	179.8	58.3	76.8	0	0	0	113.9	Y11 N12 P13 L14 L199 Y202 P225 M235	Y11-W227 WeakPolarHBondContact O-CB 3.48Å; N12-W227 HydrophobicContact CB-CB 3.71Å; N12-W227 HydrophobicContact CB-CG 3.78Å; N12-W227 VanDerWaalsContact ND2-CD1 3.29Å; N12-W227 PolarHBondContact OD1-NE1 2.84Å; P13-W227 HydrophobicContact CG-CE3 3.99Å; P13-W227 HydrophobicContact CG-CH2 3.96Å; P13-W227 HydrophobicContact CG-CZ2 4.48Å; P13-W227 HydrophobicContact CG-CZ3 3.69Å; L14-W227 HydrophobicContact CD1-CZ2 4.03Å; L14-W227 HydrophobicContact CG-CZ2 4.39Å; L199-W227 HydrophobicContact CD2-CH2 4.46Å; L199-W227 HydrophobicContact CD2-CZ2 4.47Å; Y202-W227 HydrophobicContact CD1-CH2 4.03Å; Y202-W227 AromaticContact CD2-CH2 3.53Å; Y202-W227 HydrophobicContact CD2-CH2 3.53Å; Y202-W227 AromaticContact CD2-CZ3 3.52Å; Y202-W227 HydrophobicContact CD2-CZ3 3.52Å; Y202-W227 HydrophobicContact CE1-CH2 4Å; Y202-W227 HydrophobicContact CE2-CE3 4.27Å; Y202-W227 AromaticContact CE2-CH2 3.47Å; Y202-W227 HydrophobicContact CE2-CH2 3.47Å; Y202-W227 VanDerWaalsContact CE2-CH2 3.47Å; Y202-W227 AromaticContact CE2-CZ3 3.31Å; Y202-W227 HydrophobicContact CE2-CZ3 3.31Å; Y202-W227 AromaticContact CG-CH2 3.79Å; Y202-W227 HydrophobicContact CG-CH2 3.79Å; Y202-W227 HydrophobicContact CG-CZ3 4.26Å; Y202-W227 AromaticContact CZ-CH2 3.7Å; Y202-W227 AromaticContact CZ-CZ3 3.92Å; P225-W227 HydrophobicContact CB-CD2 4.27Å; P225-W227 HydrophobicContact CB-CG 4.47Å; P225-W227 HydrophobicContact CB-CZ2 4.28Å; P225-W227 PolarHBondContact O-N 2.69Å; W227-M235 HydrophobicContact CZ2-CE 4.1Å; W227-M235 HydrophobicContact CZ2-SD 4.48Å
228	A	98.4	Very high	98.2	Very high	1 Å²	1	17 Å²	17	1%	0.008	8%	0.082	C	C	.	.			trans	-50.1	141.6	178	0	0	0	0	0	111.3	V224 P225 E233 R328 P332	V224-A228 HydrophobicContact CG1-CB 3.89Å; P225-A228 HydrophobicContact CG-CB 3.84Å; P225-A228 WeakPolarHBondContact O-CB 3.45Å; P225-A228 PolarHBondContact O-N 3.27Å; A228-E233 HydrophobicContact CB-CB 3.81Å; A228-E233 HydrophobicContact CB-CG 4.26Å; A228-R328 WeakPolarHBondContact O-CD 2.9Å; A228-R328 PolarHBondContact O-NH1 2.96Å; A228-P332 HydrophobicContact CB-CG 4.41Å
229	V	97.5	Very high	98.3	Very high	18 Å²	18	12.9 Å²	12.9	11%	0.109	6%	0.061	C	C	.	.			trans	-102.6	-47.2	174.8	174	0	0	0	0	110.7	V19 E233 M317 P326 R328	V19-V229 HydrophobicContact CG1-CG2 4.19Å; V19-V229 HydrophobicContact CG2-CG2 3.67Å; V229-E233 PolarHBondContact N-OE2 2.88Å; V229-M317 HydrophobicContact CG1-CE 3.53Å; V229-M317 HydrophobicContact CG1-SD 4.01Å; V229-P326 HydrophobicContact CG1-CB 3.71Å; V229-P326 HydrophobicContact CG2-CB 3.95Å; V229-P326 HydrophobicContact CG2-CG 4.21Å; V229-R328 WeakPolarHBondContact O-CB 3.4Å
230	W	97.6	Very high	98.2	Very high	62 Å²	62	16.1 Å²	16.1	24%	0.235	7%	0.072	C	C	.	.	S	Bend	trans	-75.9	151.9	-179.7	-63.8	86.7	0	0	0	111.6	F232 E233 L304 P306 M317 R328	W230-F232 PolarHBondContact O-N 3.37Å; W230-E233 HydrophobicContact CB-CB 3.96Å; W230-E233 PolarHBondContact N-OE2 3Å; W230-E233 WeakPolarHBondContact O-CB 3.25Å; W230-E233 PolarHBondContact O-N 2.73Å; W230-L304 HydrophobicContact CD2-CB 4.41Å; W230-L304 HydrophobicContact CG-CB 4.07Å; W230-L304 HydrophobicContact CG-CD2 4.45Å; W230-P306 HydrophobicContact CE3-CB 4.31Å; W230-P306 HydrophobicContact CZ3-CB 3.88Å; W230-M317 HydrophobicContact CH2-CG 3.82Å; W230-M317 HydrophobicContact CZ2-CG 3.98Å; W230-M317 HydrophobicContact CZ3-CG 4.25Å; W230-R328 PolarHBondContact O-NH1 3.44Å
231	P	95.9	Very high	98.2	Very high	4 Å²	4	19.7 Å²	19.7	3%	0.026	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-53.1	-170	-28.6	36.4	0	0	0	113.4	L307 L308 K315 R328 A335	P231-L307 WeakPolarHBondContact CB-O 3.12Å; P231-L308 HydrophobicContact CB-CB 4.36Å; P231-L308 HydrophobicContact CB-CD1 3.62Å; P231-L308 HydrophobicContact CG-CB 3.92Å; P231-L308 HydrophobicContact CG-CD1 3.66Å; P231-L308 HydrophobicContact CG-CG 4.33Å; P231-K315 HydrophobicContact CG-CB 3.68Å; P231-K315 HydrophobicContact CG-CG 4.33Å; P231-R328 PolarHBondContact O-NH2 3.24Å; P231-A335 VanDerWaalsContact O-CB 3.26Å; P231-A335 WeakPolarHBondContact O-CB 3.45Å
232	F	97.7	Very high	98.2	Very high	4 Å²	4	19.8 Å²	19.8	2%	0.018	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	32.8	178.4	-59.8	-76.5	0	0	0	111.7	W230 T234 Y267 M270 F271 F275 P305 L307 L330 A335 C338 L339	W230-F232 PolarHBondContact O-N 3.37Å; F232-T234 PolarHBondContact O-N 2.98Å; F232-Y267 HydrophobicContact CB-CE1 4.06Å; F232-Y267 WeakPolarHBondContact O-CE1 3.22Å; F232-Y267 PolarHBondContact O-OH 2.64Å; F232-M270 HydrophobicContact CE1-CE 4.15Å; F232-M270 HydrophobicContact CE1-SD 4.12Å; F232-M270 HydrophobicContact CZ-CE 3.88Å; F232-M270 HydrophobicContact CZ-CG 4.33Å; F232-M270 HydrophobicContact CZ-SD 4.28Å; F232-F271 AromaticContact CE2-CE2 3.82Å; F232-F271 HydrophobicContact CE2-CE2 3.82Å; F232-F271 AromaticContact CE2-CZ 3.69Å; F232-F271 HydrophobicContact CE2-CZ 3.69Å; F232-F271 HydrophobicContact CZ-CZ 4.03Å; F232-F275 HydrophobicContact CB-CZ 4.34Å; F232-F275 AromaticContact CD2-CZ 3.92Å; F232-F275 HydrophobicContact CD2-CZ 3.92Å; F232-F275 HydrophobicContact CG-CZ 4.39Å; F232-P305 HydrophobicContact CB-CG 3.91Å; F232-P305 WeakPolarHBondContact O-CG 3.41Å; F232-L307 WeakPolarHBondContact CD2-O 3.08Å; F232-L330 HydrophobicContact CD1-CD2 4.44Å; F232-L330 HydrophobicContact CE1-CD2 3.84Å; F232-L330 HydrophobicContact CZ-CD2 3.94Å; F232-A335 HydrophobicContact CD1-CB 4.07Å; F232-A335 HydrophobicContact CE1-CB 4.39Å; F232-C338 HydrophobicContact CE1-CB 3.9Å; F232-L339 HydrophobicContact CB-CD1 4.34Å; F232-L339 HydrophobicContact CB-CD2 4.35Å; F232-L339 HydrophobicContact CD1-CD1 4.25Å; F232-L339 HydrophobicContact CD1-CD2 4Å; F232-L339 HydrophobicContact CD1-CG 3.9Å; F232-L339 HydrophobicContact CG-CD2 4.4Å
233	E	98.6	Very high	98.2	Very high	13 Å²	13	20.8 Å²	20.8	6%	0.061	10%	0.096	C	C	.	.			trans	-51.1	133.9	175	-173.5	167.6	137.6	0	0	110.7	V224 P225 A228 V229 W230 F303 L304	V224-E233 WeakPolarHBondContact CA-O 3.44Å; V224-E233 WeakPolarHBondContact CG1-O 3.4Å; P225-E233 HydrophobicContact CG-CG 4.24Å; A228-E233 HydrophobicContact CB-CB 3.81Å; A228-E233 HydrophobicContact CB-CG 4.26Å; V229-E233 PolarHBondContact N-OE2 2.88Å; W230-E233 HydrophobicContact CB-CB 3.96Å; W230-E233 PolarHBondContact N-OE2 3Å; W230-E233 WeakPolarHBondContact O-CB 3.25Å; W230-E233 PolarHBondContact O-N 2.73Å; E233-F303 VanDerWaalsContact CA-O 3.29Å; E233-F303 WeakPolarHBondContact CA-O 3.5Å; E233-F303 WeakPolarHBondContact CG-O 3.4Å; E233-L304 HydrophobicContact CG-CD2 3.94Å
234	T	98.8	Very high	98.2	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149.4	171.4	57.4	0	0	0	0	111.5	V214 I222 V223 V224 F232 L263 Y267 V302 F303 L339	V214-T234 HydrophobicContact CG2-CG2 4.08Å; I222-T234 HydrophobicContact CG2-CG2 4.13Å; V223-T234 CarbonylContact O-C 3.56Å; V223-T234 WeakPolarHBondContact O-CA 3.42Å; V223-T234 WeakPolarHBondContact O-CB 3.31Å; V224-T234 HydrophobicContact CG2-CG2 4.22Å; F232-T234 PolarHBondContact O-N 2.98Å; T234-L263 HydrophobicContact CG2-CD1 4.19Å; T234-Y267 HydrophobicContact CG2-CE1 4.4Å; T234-Y267 WeakPolarHBondContact CG2-OH 3.14Å; T234-Y267 PolarHBondContact N-OH 3.25Å; T234-Y267 PolarHBondContact OG1-OH 2.94Å; T234-V302 CarbonylContact O-C 3.5Å; T234-V302 WeakPolarHBondContact O-CA 3.16Å; T234-F303 PolarHBondContact N-O 2.84Å; T234-F303 VanDerWaalsContact N-O 3.16Å; T234-F303 PolarHBondContact O-N 3.49Å; T234-F303 WeakPolarHBondContact OG1-CB 3.36Å; T234-L339 HydrophobicContact CG2-CD1 4.03Å
235	M	98.8	Very high	98.1	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	125.3	168.7	-173.6	172.9	64.8	0	0	108.2	L14 L199 Y202 I222 V223 P225 W227 L237 H300 A301	L14-M235 HydrophobicContact CD1-SD 4.34Å; L199-M235 HydrophobicContact CD2-CE 4.24Å; L199-M235 HydrophobicContact CD2-SD 4.43Å; Y202-M235 HydrophobicContact CD1-CE 3.61Å; Y202-M235 HydrophobicContact CE1-CE 3.23Å; I222-M235 WeakPolarHBondContact CA-O 3.48Å; V223-M235 HydrophobicContact CG2-CB 4.32Å; V223-M235 HydrophobicContact CG2-CE 4.39Å; V223-M235 PolarHBondContact N-O 2.87Å; V223-M235 PolarHBondContact O-N 3.05Å; P225-M235 HydrophobicContact CB-CB 4.5Å; P225-M235 HydrophobicContact CG-CB 4.23Å; W227-M235 HydrophobicContact CZ2-CE 4.1Å; W227-M235 HydrophobicContact CZ2-SD 4.48Å; M235-L237 HydrophobicContact CE-CD1 4.42Å; M235-L237 HydrophobicContact CE-CD2 4.09Å; M235-L237 HydrophobicContact CG-CD2 4.3Å; M235-H300 HydrophobicContact CG-CB 4.22Å; M235-H300 HydrophobicContact SD-CB 4.45Å; M235-A301 CarbonylContact C-O 3.59Å; M235-A301 WeakPolarHBondContact CA-O 3.49Å
236	L	98.8	Very high	98.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.1	175.5	171.2	154.4	0	0	0	108.1	W220 L221 I222 L256 A259 L260 W281 H300 A301	W220-L236 HydrophobicContact CD2-CD2 4.4Å; W220-L236 HydrophobicContact CE3-CD2 3.39Å; W220-L236 HydrophobicContact CE3-CG 4Å; W220-L236 HydrophobicContact CH2-CD2 4.46Å; W220-L236 HydrophobicContact CZ3-CD2 3.42Å; W220-L236 VanDerWaalsContact CZ3-CD2 3.42Å; W220-L236 HydrophobicContact CZ3-CG 4.48Å; L221-L236 WeakPolarHBondContact O-CA 3.43Å; I222-L236 HydrophobicContact CD1-CB 4.48Å; I222-L236 HydrophobicContact CD1-CD1 3.7Å; I222-L236 HydrophobicContact CD1-CG 4.38Å; I222-L236 HydrophobicContact CG1-CB 4.11Å; I222-L236 HydrophobicContact CG1-CD1 3.96Å; I222-L236 HydrophobicContact CG1-CG 4.11Å; L236-L256 HydrophobicContact CD1-CD1 3.91Å; L236-L256 HydrophobicContact CD2-CD1 3.66Å; L236-L256 HydrophobicContact CG-CD1 4.41Å; L236-A259 HydrophobicContact CD1-CB 4.43Å; L236-L260 HydrophobicContact CD1-CD2 3.95Å; L236-L260 HydrophobicContact CD1-CG 4.28Å; L236-W281 HydrophobicContact CD2-CH2 3.45Å; L236-W281 VanDerWaalsContact CD2-CH2 3.45Å; L236-W281 HydrophobicContact CD2-CZ2 4.36Å; L236-W281 HydrophobicContact CD2-CZ3 3.87Å; L236-H300 CarbonylContact O-C 3.51Å; L236-H300 VanDerWaalsContact O-CA 3.24Å; L236-H300 WeakPolarHBondContact O-CA 3.36Å; L236-H300 WeakPolarHBondContact O-CB 3.32Å; L236-A301 HydrophobicContact CB-CB 4.39Å; L236-A301 HydrophobicContact CD2-CB 4.22Å; L236-A301 PolarHBondContact N-O 3.35Å; L236-A301 PolarHBondContact O-N 3.08Å
237	L	98.8	Very high	98.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	147.8	-178.9	62.9	167	0	0	0	111.1	L199 A203 L221 M235 H300	L199-L237 HydrophobicContact CB-CD1 4.2Å; A203-L237 HydrophobicContact CB-CD1 3.93Å; L221-L237 HydrophobicContact CB-CD2 4.37Å; L221-L237 HydrophobicContact CD2-CD2 4.32Å; L221-L237 HydrophobicContact CG-CD2 4.4Å; L221-L237 PolarHBondContact N-O 2.84Å; L221-L237 PolarHBondContact O-N 2.73Å; M235-L237 HydrophobicContact CE-CD1 4.42Å; M235-L237 HydrophobicContact CE-CD2 4.09Å; M235-L237 HydrophobicContact CG-CD2 4.3Å; L237-H300 HydrophobicContact CB-CB 3.98Å
238	P	98.5	Very high	98.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	147.4	175	26	-22.2	0	0	0	109.6	H219 W220 R240 V242 Q298 L299	H219-P238 CarbonylContact O-C 3.54Å; H219-P238 VanDerWaalsContact O-CA 3.24Å; H219-P238 WeakPolarHBondContact O-CA 3.34Å; W220-P238 HydrophobicContact CD2-CB 4.34Å; W220-P238 HydrophobicContact CE3-CB 4.03Å; W220-P238 HydrophobicContact CE3-CG 4.47Å; W220-P238 VanDerWaalsContact CE3-N 3.34Å; W220-P238 HydrophobicContact CH2-CB 4.04Å; W220-P238 HydrophobicContact CH2-CG 4.1Å; W220-P238 HydrophobicContact CZ2-CB 4.32Å; W220-P238 HydrophobicContact CZ3-CB 3.89Å; W220-P238 VanDerWaalsContact CZ3-CD 3.46Å; W220-P238 HydrophobicContact CZ3-CG 3.91Å; P238-R240 VanDerWaalsContact C-N 3.31Å; P238-V242 HydrophobicContact CB-CG2 4.19Å; P238-V242 HydrophobicContact CG-CB 3.83Å; P238-V242 HydrophobicContact CG-CG2 3.93Å; P238-Q298 PolarHBondContact O-NE2 2.64Å; P238-L299 WeakPolarHBondContact CD-O 3.36Å; P238-L299 HydrophobicContact CG-CB 4.29Å; P238-L299 HydrophobicContact CG-CD2 4.29Å
239	V	97.4	Very high	98.1	Very high	51 Å²	51	27.7 Å²	27.7	31%	0.309	14%	0.138	S	C	.	.	S	Bend	trans	-75	-25.7	176.4	-63.5	0	0	0	0	111.9	M207 H219 L221	M207-V239 HydrophobicContact CE-CG1 4.28Å; M207-V239 HydrophobicContact SD-CG1 3.93Å; H219-V239 PolarHBondContact O-N 3.08Å; L221-V239 HydrophobicContact CB-CG1 4.2Å
240	R	97.9	Very high	98.1	Very high	102 Å²	102	32.7 Å²	32.7	39%	0.385	16%	0.164	S	C	.	.	S	Bend	trans	-79.9	151.7	171.2	-172.1	174.4	63.6	85	-9.2	110.6	P238 V242 D247 E252 Q298	P238-R240 VanDerWaalsContact C-N 3.31Å; R240-V242 HydrophobicContact CB-CG2 4.37Å; R240-V242 PolarHBondContact O-N 2.7Å; R240-V242 VanDerWaalsContact O-N 3.16Å; R240-D247 PolarHBondContact NH2-O 3.24Å; R240-D247 VanDerWaalsContact NH2-O 3.1Å; R240-E252 IonicContact CZ-OE1 3.83Å; R240-E252 IonicContact CZ-OE2 2.8Å; R240-E252 IonicContact NE-OE1 3.38Å; R240-E252 PolarHBondContact NE-OE1 3.01Å; R240-E252 IonicContact NE-OE2 3.85Å; R240-E252 IonicContact NH2-OE1 3.84Å; R240-E252 PolarHBondContact NH2-OE1 3Å; R240-E252 IonicContact NH2-OE2 2.72Å; R240-E252 PolarHBondContact NH2-OE2 3.35Å; R240-Q298 PolarHBondContact O-NE2 3.11Å
241	H	98.4	Very high	98.1	Very high	75 Å²	75	35.6 Å²	35.6	35%	0.347	18%	0.181	S	C	.	.			trans	-65.2	114	168.5	-167.5	-172.8	0	0	0	110.3	L200 S295 W297 Q298	L200-H241 HydrophobicContact CD1-CB 3.54Å; H241-S295 PolarHBondContact CE1-O 2.99Å; H241-S295 PolarHBondContact NE2-O 2.82Å; H241-W297 PolarHBondContact NE2-O 3.3Å; H241-Q298 PolarHBondContact CD2-OE1 2.91Å; H241-Q298 VanDerWaalsContact CD2-OE1 3.3Å
242	V	98	Very high	98.3	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.018	18%	0.18	C	C	.	.			trans	-139.3	130.6	179.3	-178.5	0	0	0	0	107.1	P238 R240 R244 D247 L248 Q298 L299	P238-V242 HydrophobicContact CB-CG2 4.19Å; P238-V242 HydrophobicContact CG-CB 3.83Å; P238-V242 HydrophobicContact CG-CG2 3.93Å; R240-V242 HydrophobicContact CB-CG2 4.37Å; R240-V242 PolarHBondContact O-N 2.7Å; R240-V242 VanDerWaalsContact O-N 3.16Å; V242-R244 VanDerWaalsContact CG1-O 3.23Å; V242-R244 WeakPolarHBondContact CG1-O 3.07Å; V242-D247 HydrophobicContact CG1-CB 3.91Å; V242-L248 HydrophobicContact CG1-CD2 3.83Å; V242-L248 HydrophobicContact CG1-CG 4.36Å; V242-L248 HydrophobicContact CG2-CD2 4.19Å; V242-Q298 WeakPolarHBondContact O-CA 3.22Å; V242-Q298 PolarHBondContact O-OE1 3.41Å; V242-L299 HydrophobicContact CB-CB 4.3Å; V242-L299 HydrophobicContact CG1-CB 4.18Å; V242-L299 HydrophobicContact CG1-CD2 3.82Å; V242-L299 WeakPolarHBondContact O-CB 3.23Å; V242-L299 PolarHBondContact O-N 3.35Å
243	T	98.4	Very high	98.3	Very high	22 Å²	22	36.7 Å²	36.7	14%	0.135	19%	0.185	C	C	.	.	S	Bend	trans	-95.5	-30.7	-177.2	69.6	0	0	0	0	112.9	D247 A284	T243-D247 PolarHBondContact N-OD2 3.03Å; T243-D247 PolarHBondContact OG1-OD2 2.8Å; T243-A284 PolarHBondContact O-N 3.12Å
244	R	98.3	Very high	98.3	Very high	30 Å²	30	41.7 Å²	41.7	11%	0.113	21%	0.206	C	C	.	.	S	Bend	trans	-141.7	158.6	-177.7	-57.6	-174.2	-173.8	84.6	-4.9	111.2	L139 V242 T246 D247 C283 A284 P285	L139-R244 HydrophobicContact CD2-CB 4.21Å; V242-R244 VanDerWaalsContact CG1-O 3.23Å; V242-R244 WeakPolarHBondContact CG1-O 3.07Å; R244-T246 WeakPolarHBondContact CB-OG1 3.49Å; R244-T246 PolarHBondContact O-N 3.11Å; R244-D247 PolarHBondContact N-OD2 3.25Å; R244-D247 WeakPolarHBondContact O-CB 3.22Å; R244-D247 PolarHBondContact O-N 2.96Å; R244-C283 HydrophobicContact CB-CB 4.29Å; R244-C283 HydrophobicContact CG-CB 4.17Å; R244-A284 HydrophobicContact CG-CB 4Å; R244-A284 PolarHBondContact NE-O 3.05Å; R244-P285 PolarHBondContact NE-O 3.16Å; R244-P285 PolarHBondContact NH2-O 3.16Å
245	L	98.4	Very high	98.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-57.1	-30.1	173.6	-75.4	167.2	0	0	0	113	W135 V136 L139 I151 D247 L248 L256 W281 L299	W135-L245 HydrophobicContact CB-CD1 4.24Å; V136-L245 HydrophobicContact CG2-CB 4.11Å; L139-L245 HydrophobicContact CD2-CB 3.87Å; I151-L245 HydrophobicContact CD1-CD1 3.73Å; L245-D247 PolarHBondContact O-N 3.15Å; L245-L248 HydrophobicContact CD2-CD1 3.82Å; L245-L248 WeakPolarHBondContact O-CB 3.42Å; L245-L248 WeakPolarHBondContact O-CG 3.27Å; L245-L248 PolarHBondContact O-N 2.91Å; L245-L256 HydrophobicContact CD2-CD2 4.45Å; L245-W281 HydrophobicContact CD1-CB 4.22Å; L245-W281 HydrophobicContact CD1-CD2 3.97Å; L245-W281 HydrophobicContact CD1-CE3 4.48Å; L245-W281 HydrophobicContact CD1-CG 3.85Å; L245-W281 HydrophobicContact CD2-CD2 3.98Å; L245-W281 HydrophobicContact CD2-CE3 3.9Å; L245-W281 HydrophobicContact CD2-CH2 3.98Å; L245-W281 HydrophobicContact CD2-CZ2 4.09Å; L245-W281 HydrophobicContact CD2-CZ3 3.9Å; L245-W281 HydrophobicContact CG-CD2 4.29Å; L245-W281 HydrophobicContact CG-CE3 4.31Å; L245-L299 HydrophobicContact CD2-CD1 4.2Å; L245-L299 HydrophobicContact CD2-CD2 3.96Å; L245-L299 HydrophobicContact CG-CD1 3.94Å; L245-L299 HydrophobicContact CG-CD2 4.32Å
246	T	97.8	Very high	98.3	Very high	49 Å²	49	42.4 Å²	42.4	30%	0.301	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-66	-16.4	177	49.1	0	0	0	0	114.1	V136 L139 K140 R244 L248	V136-T246 HydrophobicContact CG1-CG2 4.23Å; L139-T246 HydrophobicContact CB-CG2 4.3Å; L139-T246 HydrophobicContact CD2-CG2 4.1Å; L139-T246 HydrophobicContact CG-CG2 4.13Å; K140-T246 HydrophobicContact CB-CG2 4.18Å; R244-T246 WeakPolarHBondContact CB-OG1 3.49Å; R244-T246 PolarHBondContact O-N 3.11Å; T246-L248 VanDerWaalsContact C-N 3.34Å
247	D	97.6	Very high	98.3	Very high	63 Å²	63	42.4 Å²	42.4	34%	0.337	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-94	3.7	-176.8	-45.4	-24.4	0	0	0	112	R240 V242 T243 R244 L245	R240-D247 PolarHBondContact NH2-O 3.24Å; R240-D247 VanDerWaalsContact NH2-O 3.1Å; V242-D247 HydrophobicContact CG1-CB 3.91Å; T243-D247 PolarHBondContact N-OD2 3.03Å; T243-D247 PolarHBondContact OG1-OD2 2.8Å; R244-D247 PolarHBondContact N-OD2 3.25Å; R244-D247 WeakPolarHBondContact O-CB 3.22Å; R244-D247 PolarHBondContact O-N 2.96Å; L245-D247 PolarHBondContact O-N 3.15Å
248	L	98.5	Very high	98.2	Very high	13 Å²	13	45.5 Å²	45.5	7%	0.068	23%	0.228	C	C	.	.			trans	-78.9	136.8	176.5	-64.3	177.2	0	0	0	111.2	W220 V242 L245 T246 E252 K253 L256 L299	W220-L248 HydrophobicContact CH2-CD1 4.03Å; W220-L248 HydrophobicContact CH2-CD2 3.98Å; W220-L248 HydrophobicContact CZ2-CD1 3.86Å; W220-L248 HydrophobicContact CZ2-CD2 3.74Å; W220-L248 HydrophobicContact CZ2-CG 4.49Å; V242-L248 HydrophobicContact CG1-CD2 3.83Å; V242-L248 HydrophobicContact CG1-CG 4.36Å; V242-L248 HydrophobicContact CG2-CD2 4.19Å; L245-L248 HydrophobicContact CD2-CD1 3.82Å; L245-L248 WeakPolarHBondContact O-CB 3.42Å; L245-L248 WeakPolarHBondContact O-CG 3.27Å; L245-L248 PolarHBondContact O-N 2.91Å; T246-L248 VanDerWaalsContact C-N 3.34Å; L248-E252 HydrophobicContact CB-CB 4.4Å; L248-E252 HydrophobicContact CD2-CB 4.1Å; L248-K253 HydrophobicContact CB-CG 3.97Å; L248-K253 HydrophobicContact CD1-CG 4.38Å; L248-L256 HydrophobicContact CD1-CD2 4.2Å; L248-L299 HydrophobicContact CD1-CD2 4.29Å; L248-L299 HydrophobicContact CD2-CD2 4.16Å; L248-L299 HydrophobicContact CG-CD2 4.3Å
249	T	98.3	Very high	98.2	Very high	70 Å²	70	45.5 Å²	45.5	43%	0.429	23%	0.228	S	C	.	.			trans	-73.1	161	166.6	63.4	0	0	0	0	110.9	E251 E252 K253	T249-E251 PolarHBondContact O-N 3.13Å; T249-E252 WeakPolarHBondContact CB-OE2 3.32Å; T249-E252 WeakPolarHBondContact CG2-OE2 3.26Å; T249-E252 PolarHBondContact N-OE2 3.02Å; T249-E252 PolarHBondContact O-N 3.42Å; T249-E252 VanDerWaalsContact O-N 3.16Å; T249-E252 VanDerWaalsContact OG1-CD 3.31Å; T249-E252 VanDerWaalsContact OG1-CG 3.25Å; T249-E252 WeakPolarHBondContact OG1-CG 3.31Å; T249-E252 PolarHBondContact OG1-N 2.86Å; T249-E252 PolarHBondContact OG1-OE2 3.19Å; T249-K253 WeakPolarHBondContact O-CG 3.43Å; T249-K253 PolarHBondContact O-N 2.83Å
250	D	98	Very high	98.3	Very high	122 Å²	122	43.1 Å²	43.1	65%	0.652	21%	0.214	S	C	*	.	H	α-helix	trans	-63.8	-31.1	179.2	-65.4	-29.6	0	0	0	112.6	K253 K254	D250-K253 PolarHBondContact O-N 3.43Å; D250-K253 IonicContact OD1-NZ 3.41Å; D250-K253 PolarHBondContact OD1-NZ 3.23Å; D250-K254 PolarHBondContact O-N 3.1Å
251	E	98.2	Very high	98.3	Very high	124 Å²	124	38.3 Å²	38.3	58%	0.579	20%	0.196	S	C	*	.	H	α-helix	trans	-64.9	-45.3	173.1	-167.7	-174	153.4	0	0	111.5	H219 T249 K253 K254 S255	H219-E251 IonicContact CD2-OE1 3.39Å; H219-E251 IonicContact CE1-OE1 2.63Å; H219-E251 IonicContact NE2-OE1 3.9Å; H219-E251 PolarHBondContact NE2-OE1 3.17Å; T249-E251 PolarHBondContact O-N 3.13Å; E251-K253 VanDerWaalsContact C-N 3.34Å; E251-K253 PolarHBondContact O-N 2.94Å; E251-K254 PolarHBondContact O-N 3.36Å; E251-S255 WeakPolarHBondContact O-CB 3.26Å; E251-S255 PolarHBondContact O-N 3.17Å
252	E	98.6	Very high	98.2	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.019	19%	0.19	C	C	.	.	H	α-helix	trans	-65.2	-36.3	177	-72	165.8	135.4	0	0	112.1	H219 W220 R240 L248 T249 S255 L256	H219-E252 HydrophobicContact CB-CG 3.99Å; W220-E252 PolarHBondContact NE1-O 2.74Å; R240-E252 IonicContact CZ-OE1 3.83Å; R240-E252 IonicContact CZ-OE2 2.8Å; R240-E252 IonicContact NE-OE1 3.38Å; R240-E252 PolarHBondContact NE-OE1 3.01Å; R240-E252 IonicContact NE-OE2 3.85Å; R240-E252 IonicContact NH2-OE1 3.84Å; R240-E252 PolarHBondContact NH2-OE1 3Å; R240-E252 IonicContact NH2-OE2 2.72Å; R240-E252 PolarHBondContact NH2-OE2 3.35Å; L248-E252 HydrophobicContact CB-CB 4.4Å; L248-E252 HydrophobicContact CD2-CB 4.1Å; T249-E252 WeakPolarHBondContact CB-OE2 3.32Å; T249-E252 WeakPolarHBondContact CG2-OE2 3.26Å; T249-E252 PolarHBondContact N-OE2 3.02Å; T249-E252 PolarHBondContact O-N 3.42Å; T249-E252 VanDerWaalsContact O-N 3.16Å; T249-E252 VanDerWaalsContact OG1-CD 3.31Å; T249-E252 VanDerWaalsContact OG1-CG 3.25Å; T249-E252 WeakPolarHBondContact OG1-CG 3.31Å; T249-E252 PolarHBondContact OG1-N 2.86Å; T249-E252 PolarHBondContact OG1-OE2 3.19Å; E252-S255 PolarHBondContact O-N 2.98Å; E252-L256 VanDerWaalsContact O-CB 3.26Å; E252-L256 WeakPolarHBondContact O-CB 3.44Å; E252-L256 PolarHBondContact O-N 3.36Å
253	K	98.6	Very high	98.2	Very high	26 Å²	26	36 Å²	36	11%	0.113	19%	0.189	C	C	.	.	H	α-helix	trans	-65	-42	173.9	-66.9	178.7	-161.7	163.3	0	112	V132 D133 L248 T249 D250 E251 L256 A257	V132-K253 HydrophobicContact CG1-CB 3.95Å; V132-K253 HydrophobicContact CG1-CD 4.36Å; V132-K253 HydrophobicContact CG1-CG 3.91Å; D133-K253 VanDerWaalsContact OD1-CD 3.26Å; D133-K253 WeakPolarHBondContact OD1-CD 2.85Å; D133-K253 IonicContact OD1-NZ 3.69Å; D133-K253 PolarHBondContact OD1-NZ 3.04Å; L248-K253 HydrophobicContact CB-CG 3.97Å; L248-K253 HydrophobicContact CD1-CG 4.38Å; T249-K253 WeakPolarHBondContact O-CG 3.43Å; T249-K253 PolarHBondContact O-N 2.83Å; D250-K253 PolarHBondContact O-N 3.43Å; D250-K253 IonicContact OD1-NZ 3.41Å; D250-K253 PolarHBondContact OD1-NZ 3.23Å; E251-K253 VanDerWaalsContact C-N 3.34Å; E251-K253 PolarHBondContact O-N 2.94Å; K253-L256 WeakPolarHBondContact O-CB 3.4Å; K253-L256 PolarHBondContact O-N 2.86Å; K253-A257 PolarHBondContact O-N 2.72Å
254	K	98.4	Very high	98.2	Very high	118 Å²	118	35 Å²	35	51%	0.513	18%	0.183	S	C	.	.	H	α-helix	trans	-66.3	-41.9	176.7	-169.9	175.1	-174.7	173.9	0	111.5	V125 D250 E251 L256 A257 D258	V125-K254 HydrophobicContact CG1-CG 4.11Å; D250-K254 PolarHBondContact O-N 3.1Å; E251-K254 PolarHBondContact O-N 3.36Å; K254-L256 VanDerWaalsContact C-N 3.33Å; K254-A257 WeakPolarHBondContact O-CB 3.42Å; K254-A257 PolarHBondContact O-N 2.96Å; K254-D258 PolarHBondContact O-N 3.28Å; K254-D258 VanDerWaalsContact O-N 3.13Å
255	S	98.4	Very high	98.1	Very high	19 Å²	19	37.8 Å²	37.8	13%	0.133	19%	0.193	C	C	.	.	H	α-helix	trans	-64.2	-36.2	173.9	-175.9	0	0	0	0	112.5	N217 E251 E252 D258 A259	N217-S255 PolarHBondContact ND2-O 3Å; N217-S255 PolarHBondContact ND2-OG 3.41Å; N217-S255 PolarHBondContact OD1-OG 2.54Å; E251-S255 WeakPolarHBondContact O-CB 3.26Å; E251-S255 PolarHBondContact O-N 3.17Å; E252-S255 PolarHBondContact O-N 2.98Å; S255-D258 PolarHBondContact O-N 3.3Å; S255-A259 WeakPolarHBondContact O-CB 3.18Å; S255-A259 PolarHBondContact O-N 2.94Å
256	L	98.7	Very high	98	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-44.7	172.7	175.8	54.9	0	0	0	111.1	V132 W220 L236 L245 L248 E252 K253 K254 D258 A259 L260 W281	V132-L256 HydrophobicContact CG1-CD2 3.87Å; V132-L256 HydrophobicContact CG2-CD2 3.92Å; V132-L256 HydrophobicContact CG2-CG 4.12Å; W220-L256 HydrophobicContact CD2-CB 4.32Å; W220-L256 HydrophobicContact CD2-CD1 3.92Å; W220-L256 HydrophobicContact CE3-CD1 3.99Å; W220-L256 HydrophobicContact CH2-CB 4.48Å; W220-L256 HydrophobicContact CH2-CD1 3.96Å; W220-L256 HydrophobicContact CH2-CD2 3.91Å; W220-L256 HydrophobicContact CH2-CG 4.34Å; W220-L256 HydrophobicContact CZ2-CB 3.64Å; W220-L256 HydrophobicContact CZ2-CD1 3.89Å; W220-L256 HydrophobicContact CZ2-CD2 3.76Å; W220-L256 HydrophobicContact CZ2-CG 3.96Å; W220-L256 HydrophobicContact CZ3-CD1 4Å; L236-L256 HydrophobicContact CD1-CD1 3.91Å; L236-L256 HydrophobicContact CD2-CD1 3.66Å; L236-L256 HydrophobicContact CG-CD1 4.41Å; L245-L256 HydrophobicContact CD2-CD2 4.45Å; L248-L256 HydrophobicContact CD1-CD2 4.2Å; E252-L256 VanDerWaalsContact O-CB 3.26Å; E252-L256 WeakPolarHBondContact O-CB 3.44Å; E252-L256 PolarHBondContact O-N 3.36Å; K253-L256 WeakPolarHBondContact O-CB 3.4Å; K253-L256 PolarHBondContact O-N 2.86Å; K254-L256 VanDerWaalsContact C-N 3.33Å; L256-D258 VanDerWaalsContact C-N 3.31Å; L256-D258 PolarHBondContact O-N 3.38Å; L256-A259 PolarHBondContact O-N 2.84Å; L256-L260 HydrophobicContact CD1-CD1 3.85Å; L256-L260 HydrophobicContact CD1-CG 3.87Å; L256-L260 HydrophobicContact CG-CD1 3.82Å; L256-L260 HydrophobicContact CG-CG 4.31Å; L256-L260 WeakPolarHBondContact O-CB 3.26Å; L256-L260 WeakPolarHBondContact O-CG 3.47Å; L256-L260 PolarHBondContact O-N 3.5Å; L256-W281 HydrophobicContact CD1-CH2 3.7Å; L256-W281 HydrophobicContact CD1-CZ2 4.06Å; L256-W281 HydrophobicContact CD2-CH2 3.65Å; L256-W281 HydrophobicContact CD2-CZ2 3.76Å; L256-W281 HydrophobicContact CG-CH2 4.31Å; L256-W281 HydrophobicContact CG-CZ2 4.44Å
257	A	98.6	Very high	98	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.4	-42	179.7	0	0	0	0	0	112	V125 I128 A129 K253 K254 G261	V125-A257 HydrophobicContact CG1-CB 4Å; V125-A257 WeakPolarHBondContact O-CB 3.46Å; I128-A257 HydrophobicContact CB-CB 3.82Å; I128-A257 VanDerWaalsContact CG2-CA 3.49Å; I128-A257 HydrophobicContact CG2-CB 3.63Å; A129-A257 HydrophobicContact CB-CB 3.93Å; K253-A257 PolarHBondContact O-N 2.72Å; K254-A257 WeakPolarHBondContact O-CB 3.42Å; K254-A257 PolarHBondContact O-N 2.96Å; A257-G261 PolarHBondContact O-N 2.89Å
258	D	98.2	Very high	97.9	Very high	64 Å²	64	34.7 Å²	34.7	34%	0.342	17%	0.174	S	C	.	.	H	α-helix	trans	-63.7	-47.2	172.9	-178.5	67.2	0	0	0	112.5	V125 K254 S255 L256 L260 G261 S262	V125-D258 HydrophobicContact CG1-CB 4.3Å; V125-D258 HydrophobicContact CG2-CB 4.21Å; K254-D258 PolarHBondContact O-N 3.28Å; K254-D258 VanDerWaalsContact O-N 3.13Å; S255-D258 PolarHBondContact O-N 3.3Å; L256-D258 VanDerWaalsContact C-N 3.31Å; L256-D258 PolarHBondContact O-N 3.38Å; D258-L260 PolarHBondContact O-N 3.39Å; D258-G261 PolarHBondContact O-N 2.93Å; D258-S262 WeakPolarHBondContact O-CB 3.46Å; D258-S262 PolarHBondContact O-N 3.29Å; D258-S262 PolarHBondContact O-OG 3.44Å; D258-S262 VanDerWaalsContact O-OG 3.12Å
259	A	98.3	Very high	97.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59	-44.1	178.1	0	0	0	0	0	112.5	L215 W220 I222 L236 S255 L256 S262 L263	L215-A259 HydrophobicContact CD1-CB 4.11Å; W220-A259 HydrophobicContact CB-CB 4.26Å; I222-A259 HydrophobicContact CD1-CB 4.37Å; L236-A259 HydrophobicContact CD1-CB 4.43Å; S255-A259 WeakPolarHBondContact O-CB 3.18Å; S255-A259 PolarHBondContact O-N 2.94Å; L256-A259 PolarHBondContact O-N 2.84Å; A259-S262 PolarHBondContact O-N 2.97Å; A259-L263 WeakPolarHBondContact O-CB 3.36Å; A259-L263 PolarHBondContact O-N 3.5Å
260	L	98.1	Very high	97.5	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-63.9	-48.9	176.9	-75.8	169.8	0	0	0	111.7	I128 V132 W135 L236 L256 D258 S262 L263 L264 F303	I128-L260 HydrophobicContact CG2-CB 4.27Å; I128-L260 HydrophobicContact CG2-CD1 4.29Å; V132-L260 HydrophobicContact CG2-CD1 4.28Å; W135-L260 HydrophobicContact CH2-CD1 4.03Å; W135-L260 HydrophobicContact CZ3-CD1 3.78Å; L236-L260 HydrophobicContact CD1-CD2 3.95Å; L236-L260 HydrophobicContact CD1-CG 4.28Å; L256-L260 HydrophobicContact CD1-CD1 3.85Å; L256-L260 HydrophobicContact CD1-CG 3.87Å; L256-L260 HydrophobicContact CG-CD1 3.82Å; L256-L260 HydrophobicContact CG-CG 4.31Å; L256-L260 WeakPolarHBondContact O-CB 3.26Å; L256-L260 WeakPolarHBondContact O-CG 3.47Å; L256-L260 PolarHBondContact O-N 3.5Å; D258-L260 PolarHBondContact O-N 3.39Å; L260-S262 VanDerWaalsContact C-N 3.28Å; L260-S262 PolarHBondContact O-N 2.78Å; L260-L263 PolarHBondContact O-N 3.49Å; L260-L264 WeakPolarHBondContact O-CB 3.5Å; L260-L264 WeakPolarHBondContact O-CG 3.34Å; L260-L264 PolarHBondContact O-N 2.98Å; L260-F303 HydrophobicContact CD2-CE2 4.29Å; L260-F303 HydrophobicContact CD2-CZ 3.66Å
261	G	97.8	Very high	97.2	Very high	1 Å²	1	30 Å²	30	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-58.5	-43.1	177.1	0	0	0	0	0	111.5	A257 D258 R265	A257-G261 PolarHBondContact O-N 2.89Å; D258-G261 PolarHBondContact O-N 2.93Å; G261-R265 VanDerWaalsContact C-CZ 3.45Å; G261-R265 WeakPolarHBondContact O-CB 3.3Å; G261-R265 WeakPolarHBondContact O-CG 3.4Å; G261-R265 PolarHBondContact O-N 2.86Å; G261-R265 PolarHBondContact O-NH1 3.42Å
262	S	97.4	Very high	97	Very high	31 Å²	31	33.3 Å²	33.3	22%	0.217	16%	0.163	C	C	.	.	H	α-helix	trans	-65.4	-48.1	177.9	-68.6	0	0	0	0	112.5	D258 A259 L260 L264 R265 I266	D258-S262 WeakPolarHBondContact O-CB 3.46Å; D258-S262 PolarHBondContact O-N 3.29Å; D258-S262 PolarHBondContact O-OG 3.44Å; D258-S262 VanDerWaalsContact O-OG 3.12Å; A259-S262 PolarHBondContact O-N 2.97Å; L260-S262 VanDerWaalsContact C-N 3.28Å; L260-S262 PolarHBondContact O-N 2.78Å; S262-L264 VanDerWaalsContact C-N 3.32Å; S262-L264 PolarHBondContact O-N 3.3Å; S262-R265 PolarHBondContact O-N 2.87Å; S262-R265 PolarHBondContact OG-NH2 2.94Å; S262-I266 WeakPolarHBondContact O-CG1 3.4Å; S262-I266 PolarHBondContact O-N 3.02Å
263	L	98.1	Very high	96.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-56.6	-46.7	175.7	174.1	60.6	0	0	0	111.6	V214 L215 I222 T234 A259 L260 R265 I266 Y267 F303	V214-L263 HydrophobicContact CG1-CD1 4.47Å; L215-L263 HydrophobicContact CD2-CB 4.17Å; I222-L263 HydrophobicContact CD1-CB 3.75Å; I222-L263 HydrophobicContact CD1-CD2 3.97Å; I222-L263 HydrophobicContact CD1-CG 4.28Å; I222-L263 HydrophobicContact CG2-CD1 4.18Å; I222-L263 HydrophobicContact CG2-CD2 4.21Å; T234-L263 HydrophobicContact CG2-CD1 4.19Å; A259-L263 WeakPolarHBondContact O-CB 3.36Å; A259-L263 PolarHBondContact O-N 3.5Å; L260-L263 PolarHBondContact O-N 3.49Å; L263-R265 VanDerWaalsContact C-N 3.33Å; L263-R265 PolarHBondContact O-N 2.76Å; L263-I266 WeakPolarHBondContact O-CB 3.32Å; L263-I266 PolarHBondContact O-N 2.88Å; L263-I266 VanDerWaalsContact O-N 3.11Å; L263-Y267 HydrophobicContact CD1-CD2 4.41Å; L263-Y267 HydrophobicContact CD1-CE1 4.37Å; L263-Y267 HydrophobicContact CD1-CE2 4.12Å; L263-Y267 HydrophobicContact CD2-CE2 4.33Å; L263-Y267 HydrophobicContact CG-CD2 4.32Å; L263-Y267 HydrophobicContact CG-CE2 4.15Å; L263-Y267 PolarHBondContact O-N 3.06Å; L263-F303 HydrophobicContact CD2-CD1 4.43Å; L263-F303 HydrophobicContact CD2-CD2 3.78Å; L263-F303 HydrophobicContact CD2-CE1 4.36Å; L263-F303 HydrophobicContact CD2-CE2 3.71Å; L263-F303 HydrophobicContact CD2-CG 4.17Å; L263-F303 HydrophobicContact CD2-CZ 4.02Å
264	L	97.3	Very high	96.2	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-74.6	-25.8	-174.3	-64.3	-177.3	0	0	0	112.5	F120 A121 L260 S262 Y267 D268 Y277 F303	F120-L264 HydrophobicContact CB-CB 4.26Å; F120-L264 HydrophobicContact CB-CD1 3.26Å; F120-L264 HydrophobicContact CB-CG 4.32Å; F120-L264 HydrophobicContact CD2-CD1 3.67Å; F120-L264 HydrophobicContact CG-CD1 3.62Å; A121-L264 HydrophobicContact CB-CB 4.35Å; L260-L264 WeakPolarHBondContact O-CB 3.5Å; L260-L264 WeakPolarHBondContact O-CG 3.34Å; L260-L264 PolarHBondContact O-N 2.98Å; S262-L264 VanDerWaalsContact C-N 3.32Å; S262-L264 PolarHBondContact O-N 3.3Å; L264-Y267 HydrophobicContact CD2-CD2 3.65Å; L264-Y267 HydrophobicContact CD2-CE2 4.26Å; L264-D268 PolarHBondContact O-N 3.12Å; L264-Y277 HydrophobicContact CD1-CE1 4.36Å; L264-Y277 WeakPolarHBondContact CD1-OH 3.47Å; L264-Y277 HydrophobicContact CD2-CD1 4.16Å; L264-Y277 HydrophobicContact CD2-CE1 3.43Å; L264-Y277 VanDerWaalsContact CD2-CE1 3.43Å; L264-Y277 HydrophobicContact CG-CE1 4.49Å; L264-F303 HydrophobicContact CD1-CE1 4.47Å; L264-F303 HydrophobicContact CD2-CD1 4.17Å; L264-F303 HydrophobicContact CD2-CE1 3.87Å
265	R	96.9	Very high	96	Very high	87 Å²	87	31 Å²	31	33%	0.328	16%	0.163	S	C	.	.	H	α-helix	trans	-66.7	-40.8	164.4	-75.4	-174.3	-63.9	-91.2	4.2	112.5	A121 G261 S262 L263 Y267 D268 G269 F343	A121-R265 HydrophobicContact CB-CG 4.09Å; A121-R265 VanDerWaalsContact O-CG 3.26Å; A121-R265 WeakPolarHBondContact O-CG 3.36Å; G261-R265 VanDerWaalsContact C-CZ 3.45Å; G261-R265 WeakPolarHBondContact O-CB 3.3Å; G261-R265 WeakPolarHBondContact O-CG 3.4Å; G261-R265 PolarHBondContact O-N 2.86Å; G261-R265 PolarHBondContact O-NH1 3.42Å; S262-R265 PolarHBondContact O-N 2.87Å; S262-R265 PolarHBondContact OG-NH2 2.94Å; L263-R265 VanDerWaalsContact C-N 3.33Å; L263-R265 PolarHBondContact O-N 2.76Å; R265-Y267 VanDerWaalsContact C-N 3.35Å; R265-D268 PolarHBondContact O-N 3.14Å; R265-G269 PolarHBondContact O-N 2.9Å; R265-F343 HydrophobicContact CB-CE2 4.16Å; R265-F343 HydrophobicContact CB-CZ 3.97Å
266	I	97.4	Very high	95.8	Very high	14 Å²	14	30.6 Å²	30.6	7%	0.072	16%	0.16	C	C	.	.	H	α-helix	trans	-60.2	-47.6	175.1	-68.6	169.3	0	0	0	109.8	V214 L215 S262 L263 G269 M270 L339 V342 F343	V214-I266 HydrophobicContact CG1-CD1 4Å; L215-I266 HydrophobicContact CD2-CD1 3.97Å; S262-I266 WeakPolarHBondContact O-CG1 3.4Å; S262-I266 PolarHBondContact O-N 3.02Å; L263-I266 WeakPolarHBondContact O-CB 3.32Å; L263-I266 PolarHBondContact O-N 2.88Å; L263-I266 VanDerWaalsContact O-N 3.11Å; I266-G269 PolarHBondContact O-N 2.89Å; I266-M270 PolarHBondContact O-N 3.19Å; I266-L339 HydrophobicContact CG2-CB 3.96Å; I266-L339 HydrophobicContact CG2-CD2 3.83Å; I266-L339 WeakPolarHBondContact CG2-O 3.49Å; I266-V342 HydrophobicContact CG2-CB 4.26Å; I266-V342 HydrophobicContact CG2-CG2 4.14Å; I266-F343 HydrophobicContact CB-CE2 4.18Å; I266-F343 HydrophobicContact CG1-CD2 3.62Å; I266-F343 HydrophobicContact CG1-CE2 3.45Å; I266-F343 VanDerWaalsContact CG1-CE2 3.45Å
267	Y	97.2	Very high	95.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.6	-49	177.4	-83.4	-21.3	0	0	0	112.5	F232 T234 L263 L264 R265 G269 M270 F275 Y277 F303 P305 L339	F232-Y267 HydrophobicContact CB-CE1 4.06Å; F232-Y267 WeakPolarHBondContact O-CE1 3.22Å; F232-Y267 PolarHBondContact O-OH 2.64Å; T234-Y267 HydrophobicContact CG2-CE1 4.4Å; T234-Y267 WeakPolarHBondContact CG2-OH 3.14Å; T234-Y267 PolarHBondContact N-OH 3.25Å; T234-Y267 PolarHBondContact OG1-OH 2.94Å; L263-Y267 HydrophobicContact CD1-CD2 4.41Å; L263-Y267 HydrophobicContact CD1-CE1 4.37Å; L263-Y267 HydrophobicContact CD1-CE2 4.12Å; L263-Y267 HydrophobicContact CD2-CE2 4.33Å; L263-Y267 HydrophobicContact CG-CD2 4.32Å; L263-Y267 HydrophobicContact CG-CE2 4.15Å; L263-Y267 PolarHBondContact O-N 3.06Å; L264-Y267 HydrophobicContact CD2-CD2 3.65Å; L264-Y267 HydrophobicContact CD2-CE2 4.26Å; R265-Y267 VanDerWaalsContact C-N 3.35Å; Y267-G269 PolarHBondContact O-N 3.06Å; Y267-M270 WeakPolarHBondContact O-CB 3.45Å; Y267-M270 PolarHBondContact O-N 3.02Å; Y267-F275 AromaticContact CD1-CD1 3.86Å; Y267-F275 HydrophobicContact CD1-CD1 3.86Å; Y267-F275 AromaticContact CD1-CE1 3.6Å; Y267-F275 HydrophobicContact CD1-CE1 3.6Å; Y267-F275 HydrophobicContact CD1-CZ 4.3Å; Y267-F275 HydrophobicContact CD2-CD1 4.06Å; Y267-F275 HydrophobicContact CD2-CE1 4.45Å; Y267-F275 AromaticContact CE1-CE1 3.98Å; Y267-F275 HydrophobicContact CE1-CE1 3.98Å; Y267-F275 AromaticContact CG-CD1 3.61Å; Y267-F275 HydrophobicContact CG-CD1 3.61Å; Y267-F275 AromaticContact CG-CE1 3.87Å; Y267-F275 HydrophobicContact CG-CE1 3.87Å; Y267-F275 HydrophobicContact CG-CG 4.28Å; Y267-F275 WeakPolarHBondContact O-CB 3.4Å; Y267-F275 WeakPolarHBondContact O-CD2 3.28Å; Y267-F275 WeakPolarHBondContact O-CG 3.29Å; Y267-Y277 HydrophobicContact CD2-CD1 4.42Å; Y267-F303 HydrophobicContact CE2-CB 3.92Å; Y267-F303 HydrophobicContact CE2-CD1 4.13Å; Y267-F303 HydrophobicContact CE2-CG 4.18Å; Y267-P305 HydrophobicContact CE1-CG 4.29Å; Y267-L339 HydrophobicContact CD1-CD2 3.75Å; Y267-L339 HydrophobicContact CE1-CD1 4.29Å; Y267-L339 HydrophobicContact CE1-CD2 3.84Å
268	D	94.8	Very high	95.7	Very high	33 Å²	33	32.2 Å²	32.2	18%	0.176	17%	0.17	C	C	.	.	H	α-helix	trans	-63.4	-31.6	178.4	-75.5	5.1	0	0	0	112	A121 R155 L264 R265 K272 T273 F275	A121-D268 WeakPolarHBondContact CB-OD2 3.33Å; R155-D268 IonicContact CZ-OD1 3.37Å; R155-D268 IonicContact CZ-OD2 2.94Å; R155-D268 IonicContact NH1-OD1 2.73Å; R155-D268 PolarHBondContact NH1-OD1 2.8Å; R155-D268 IonicContact NH1-OD2 2.72Å; R155-D268 IonicContact NH2-OD1 3.76Å; R155-D268 PolarHBondContact NH2-OD1 3.28Å; R155-D268 IonicContact NH2-OD2 2.95Å; R155-D268 PolarHBondContact NH2-OD2 3.47Å; L264-D268 PolarHBondContact O-N 3.12Å; R265-D268 PolarHBondContact O-N 3.14Å; D268-K272 CarbonylContact O-C 3.53Å; D268-K272 WeakPolarHBondContact O-CA 3.3Å; D268-K272 PolarHBondContact O-N 2.86Å; D268-K272 VanDerWaalsContact O-N 3.16Å; D268-T273 WeakPolarHBondContact CA-O 3.45Å; D268-T273 PolarHBondContact O-N 3.18Å; D268-F275 PolarHBondContact OD1-N 2.91Å
269	G	94.7	Very high	95.7	Very high	26 Å²	26	29.5 Å²	29.5	27%	0.268	16%	0.156	S	C	.	.	H	α-helix	trans	-73.8	-31.2	176.3	0	0	0	0	0	114.6	R265 I266 Y267 F271 K272	R265-G269 PolarHBondContact O-N 2.9Å; I266-G269 PolarHBondContact O-N 2.89Å; Y267-G269 PolarHBondContact O-N 3.06Å; G269-F271 VanDerWaalsContact C-N 3.28Å; G269-F271 PolarHBondContact O-N 3.07Å; G269-K272 PolarHBondContact O-N 3.28Å
270	M	94.2	Very high	95.7	Very high	39 Å²	39	29.8 Å²	29.8	19%	0.192	16%	0.158	C	C	.	.	H	α-helix	trans	-51.7	-43.9	-174.9	-176.7	64.4	-138.8	0	0	113	F232 I266 Y267 F275 C338 L339 V342	F232-M270 HydrophobicContact CE1-CE 4.15Å; F232-M270 HydrophobicContact CE1-SD 4.12Å; F232-M270 HydrophobicContact CZ-CE 3.88Å; F232-M270 HydrophobicContact CZ-CG 4.33Å; F232-M270 HydrophobicContact CZ-SD 4.28Å; I266-M270 PolarHBondContact O-N 3.19Å; Y267-M270 WeakPolarHBondContact O-CB 3.45Å; Y267-M270 PolarHBondContact O-N 3.02Å; M270-F275 HydrophobicContact CB-CE2 4.17Å; M270-F275 HydrophobicContact CG-CE2 4.32Å; M270-C338 HydrophobicContact CE-CB 3.92Å; M270-C338 HydrophobicContact SD-CB 4.07Å; M270-L339 HydrophobicContact SD-CD2 4.44Å; M270-V342 HydrophobicContact CB-CG2 4.23Å; M270-V342 HydrophobicContact SD-CG2 3.99Å
271	F	92.6	Very high	95.8	Very high	41 Å²	41	29.8 Å²	29.8	18%	0.18	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.4	18.5	175.2	-59.6	-47.7	0	0	0	113.2	F232 G269 T273 F275 L307 R309 A311	F232-F271 AromaticContact CE2-CE2 3.82Å; F232-F271 HydrophobicContact CE2-CE2 3.82Å; F232-F271 AromaticContact CE2-CZ 3.69Å; F232-F271 HydrophobicContact CE2-CZ 3.69Å; F232-F271 HydrophobicContact CZ-CZ 4.03Å; G269-F271 VanDerWaalsContact C-N 3.28Å; G269-F271 PolarHBondContact O-N 3.07Å; F271-T273 VanDerWaalsContact C-N 3.26Å; F271-T273 HydrophobicContact CB-CG2 4.14Å; F271-T273 PolarHBondContact O-N 3.37Å; F271-F275 HydrophobicContact CD2-CD2 4.34Å; F271-F275 AromaticContact CD2-CE2 3.61Å; F271-F275 HydrophobicContact CD2-CE2 3.61Å; F271-F275 AromaticContact CE2-CE2 3.94Å; F271-F275 HydrophobicContact CE2-CE2 3.94Å; F271-L307 HydrophobicContact CD2-CB 3.97Å; F271-L307 HydrophobicContact CD2-CD1 3.96Å; F271-L307 HydrophobicContact CE2-CB 3.85Å; F271-R309 WeakPolarHBondContact CE1-O 3.44Å; F271-A311 HydrophobicContact CB-CB 4.17Å
272	K	92.1	Very high	95.8	Very high	195 Å²	195	30.9 Å²	30.9	85%	0.848	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	44.5	179.6	-57.2	-178	-179.3	-179.8	0	113.1	D268 G269	D268-K272 CarbonylContact O-C 3.53Å; D268-K272 WeakPolarHBondContact O-CA 3.3Å; D268-K272 PolarHBondContact O-N 2.86Å; D268-K272 VanDerWaalsContact O-N 3.16Å; G269-K272 PolarHBondContact O-N 3.28Å
273	T	91	Very high	95.8	Very high	19 Å²	19	29.7 Å²	29.7	12%	0.117	15%	0.154	C	C	.	.	S	Bend	trans	-148.7	150.9	-178.3	-170.1	0	0	0	0	108.9	D268 F271 F275 L307 A311	D268-T273 WeakPolarHBondContact CA-O 3.45Å; D268-T273 PolarHBondContact O-N 3.18Å; F271-T273 VanDerWaalsContact C-N 3.26Å; F271-T273 HydrophobicContact CB-CG2 4.14Å; F271-T273 PolarHBondContact O-N 3.37Å; T273-F275 PolarHBondContact O-N 3.43Å; T273-L307 HydrophobicContact CG2-CD1 4.11Å; T273-A311 HydrophobicContact CG2-CB 3.67Å
274	P	90.5	Very high	95.9	Very high	80 Å²	80	29.8 Å²	29.8	52%	0.519	16%	0.155	S	C	.	.			trans	-53.4	110.7	169.1	-26	35.6	0	0	0	110.5	P276	P274-P276 WeakPolarHBondContact O-CD 3.3Å
275	F	93.1	Very high	95.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.			trans	-80.8	119.1	-168.6	-156.1	-106	0	0	0	109.7	R155 F232 Y267 D268 M270 F271 T273 Y277 P305 L307	R155-F275 PolarHBondContact NH1-O 2.71Å; F232-F275 HydrophobicContact CB-CZ 4.34Å; F232-F275 AromaticContact CD2-CZ 3.92Å; F232-F275 HydrophobicContact CD2-CZ 3.92Å; F232-F275 HydrophobicContact CG-CZ 4.39Å; Y267-F275 AromaticContact CD1-CD1 3.86Å; Y267-F275 HydrophobicContact CD1-CD1 3.86Å; Y267-F275 AromaticContact CD1-CE1 3.6Å; Y267-F275 HydrophobicContact CD1-CE1 3.6Å; Y267-F275 HydrophobicContact CD1-CZ 4.3Å; Y267-F275 HydrophobicContact CD2-CD1 4.06Å; Y267-F275 HydrophobicContact CD2-CE1 4.45Å; Y267-F275 AromaticContact CE1-CE1 3.98Å; Y267-F275 HydrophobicContact CE1-CE1 3.98Å; Y267-F275 AromaticContact CG-CD1 3.61Å; Y267-F275 HydrophobicContact CG-CD1 3.61Å; Y267-F275 AromaticContact CG-CE1 3.87Å; Y267-F275 HydrophobicContact CG-CE1 3.87Å; Y267-F275 HydrophobicContact CG-CG 4.28Å; Y267-F275 WeakPolarHBondContact O-CB 3.4Å; Y267-F275 WeakPolarHBondContact O-CD2 3.28Å; Y267-F275 WeakPolarHBondContact O-CG 3.29Å; D268-F275 PolarHBondContact OD1-N 2.91Å; M270-F275 HydrophobicContact CB-CE2 4.17Å; M270-F275 HydrophobicContact CG-CE2 4.32Å; F271-F275 HydrophobicContact CD2-CD2 4.34Å; F271-F275 AromaticContact CD2-CE2 3.61Å; F271-F275 HydrophobicContact CD2-CE2 3.61Å; F271-F275 AromaticContact CE2-CE2 3.94Å; F271-F275 HydrophobicContact CE2-CE2 3.94Å; T273-F275 PolarHBondContact O-N 3.43Å; F275-Y277 WeakPolarHBondContact O-CD1 3.43Å; F275-P305 HydrophobicContact CD1-CB 3.68Å; F275-P305 HydrophobicContact CE1-CB 3.11Å; F275-P305 HydrophobicContact CE1-CG 3.69Å; F275-P305 HydrophobicContact CZ-CB 4.03Å; F275-P305 HydrophobicContact CZ-CG 4.5Å; F275-L307 HydrophobicContact CD2-CD1 3.73Å; F275-L307 HydrophobicContact CE2-CB 3.89Å; F275-L307 HydrophobicContact CE2-CD1 3.83Å; F275-L307 HydrophobicContact CE2-CG 4.36Å; F275-L307 HydrophobicContact CG-CD1 4.46Å; F275-L307 HydrophobicContact CZ-CB 4.07Å
276	P	94.8	Very high	96	Very high	11 Å²	11	25.7 Å²	25.7	7%	0.071	14%	0.14	C	C	.	.			trans	-73.3	145.4	179.8	29.5	-32.5	0	0	0	110.7	R155 A158 P274 P305 P306 L307	R155-P276 CarbonylContact O-C 3.47Å; R155-P276 WeakPolarHBondContact O-CA 3.36Å; R155-P276 WeakPolarHBondContact O-CB 3.47Å; A158-P276 HydrophobicContact CB-CB 3.99Å; A158-P276 HydrophobicContact CB-CG 4.02Å; P274-P276 WeakPolarHBondContact O-CD 3.3Å; P276-P305 WeakPolarHBondContact O-CA 3.4Å; P276-P305 WeakPolarHBondContact O-CB 3.24Å; P276-P306 HydrophobicContact CB-CG 4.3Å; P276-P306 HydrophobicContact CG-CG 3.92Å; P276-P306 WeakPolarHBondContact O-CD 3.18Å; P276-L307 HydrophobicContact CG-CD1 4.15Å; P276-L307 HydrophobicContact CG-CD2 4.28Å; P276-L307 HydrophobicContact CG-CG 3.86Å
277	Y	97.3	Very high	96	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	154	173.9	59.4	-101.6	0	0	0	111.3	E153 R155 V159 L264 Y267 F275 M279 F303	E153-Y277 HydrophobicContact CG-CE2 4.17Å; E153-Y277 PolarHBondContact OE1-OH 3.01Å; E153-Y277 VanDerWaalsContact OE2-CE2 3.24Å; E153-Y277 WeakPolarHBondContact OE2-CE2 3.3Å; E153-Y277 PolarHBondContact OE2-OH 2.79Å; R155-Y277 HydrophobicContact CB-CD1 4.34Å; R155-Y277 HydrophobicContact CB-CD2 4.32Å; R155-Y277 HydrophobicContact CB-CE1 4.03Å; R155-Y277 HydrophobicContact CB-CE2 3.98Å; R155-Y277 HydrophobicContact CB-CG 4.48Å; R155-Y277 HydrophobicContact CG-CE1 4.32Å; R155-Y277 PolarHBondContact N-O 3.05Å; R155-Y277 PolarHBondContact O-N 3.37Å; R155-Y277 VanDerWaalsContact O-N 3.09Å; V159-Y277 WeakPolarHBondContact CG2-O 3.16Å; L264-Y277 HydrophobicContact CD1-CE1 4.36Å; L264-Y277 WeakPolarHBondContact CD1-OH 3.47Å; L264-Y277 HydrophobicContact CD2-CD1 4.16Å; L264-Y277 HydrophobicContact CD2-CE1 3.43Å; L264-Y277 VanDerWaalsContact CD2-CE1 3.43Å; L264-Y277 HydrophobicContact CG-CE1 4.49Å; Y267-Y277 HydrophobicContact CD2-CD1 4.42Å; F275-Y277 WeakPolarHBondContact O-CD1 3.43Å; Y277-M279 HydrophobicContact CD2-CB 3.87Å; Y277-M279 HydrophobicContact CD2-CG 3.99Å; Y277-M279 HydrophobicContact CE2-CB 4.01Å; Y277-M279 HydrophobicContact CE2-CG 3.63Å; Y277-F303 AromaticContact CD2-CD1 3.93Å; Y277-F303 HydrophobicContact CD2-CD1 3.93Å; Y277-F303 HydrophobicContact CD2-CE1 4.41Å; Y277-F303 HydrophobicContact CE2-CD1 4.1Å; Y277-F303 HydrophobicContact CE2-CE1 4.12Å; Y277-F303 HydrophobicContact CG-CD1 4.26Å
278	S	98.1	Very high	96	Very high	32 Å²	32	33.5 Å²	33.5	22%	0.224	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.5	154.9	-66.5	0	0	0	0	108.6	E153 N154 L304	E153-S278 CarbonylContact O-C 3.57Å; E153-S278 WeakPolarHBondContact O-CA 3.42Å; N154-S278 WeakPolarHBondContact OD1-CB 3.33Å; N154-S278 PolarHBondContact OD1-OG 3.47Å; S278-L304 PolarHBondContact N-O 3.2Å; S278-L304 WeakPolarHBondContact O-CB 3.21Å; S278-L304 PolarHBondContact O-N 3.42Å
279	M	98.5	Very high	96.1	Very high	8 Å²	8	34.6 Å²	34.6	4%	0.039	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	157.8	173.9	72.5	80.8	73.6	0	0	110.9	W135 F152 E153 Y277 V302 F303	W135-M279 HydrophobicContact CH2-CE 4.3Å; F152-M279 CarbonylContact C-O 3.57Å; F152-M279 WeakPolarHBondContact CA-O 3.27Å; F152-M279 WeakPolarHBondContact CB-O 3.29Å; E153-M279 HydrophobicContact CB-CG 3.85Å; E153-M279 HydrophobicContact CB-SD 4.09Å; E153-M279 PolarHBondContact N-O 3.48Å; E153-M279 PolarHBondContact O-N 3.02Å; Y277-M279 HydrophobicContact CD2-CB 3.87Å; Y277-M279 HydrophobicContact CD2-CG 3.99Å; Y277-M279 HydrophobicContact CE2-CB 4.01Å; Y277-M279 HydrophobicContact CE2-CG 3.63Å; M279-V302 WeakPolarHBondContact CA-O 3.32Å; M279-V302 VanDerWaalsContact CB-O 3.3Å; M279-V302 WeakPolarHBondContact CB-O 3.32Å; M279-F303 HydrophobicContact CB-CD1 3.46Å; M279-F303 VanDerWaalsContact CB-CD1 3.46Å; M279-F303 HydrophobicContact CB-CD2 4.47Å; M279-F303 HydrophobicContact CB-CE1 3.58Å; M279-F303 HydrophobicContact CB-CG 3.93Å; M279-F303 HydrophobicContact CB-CZ 4.14Å; M279-F303 HydrophobicContact CE-CE1 3.94Å; M279-F303 HydrophobicContact CE-CE2 4.21Å; M279-F303 HydrophobicContact CE-CZ 3.54Å; M279-F303 HydrophobicContact CG-CD1 4.17Å; M279-F303 HydrophobicContact CG-CE1 3.82Å; M279-F303 HydrophobicContact CG-CZ 4.36Å
280	G	98.6	Very high	96.2	Very high	5 Å²	5	37.2 Å²	37.2	5%	0.052	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	156.5	173.7	0	0	0	0	0	113.3	I151 A301 V302	I151-G280 WeakPolarHBondContact O-CA 3.33Å; G280-A301 VanDerWaalsContact O-CA 3.25Å; G280-A301 WeakPolarHBondContact O-CA 3.37Å; G280-V302 PolarHBondContact N-O 2.91Å; G280-V302 VanDerWaalsContact N-O 3.14Å; G280-V302 PolarHBondContact O-N 3.31Å
281	W	98.8	Very high	96.2	Very high	1 Å²	1	40.3 Å²	40.3	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	137	177.9	-71.4	99.5	0	0	0	111.4	W135 Q150 I151 W220 L236 L245 L256 L299 A301	W135-W281 AromaticContact CD2-NE1 3.89Å; W135-W281 AromaticContact CE3-CE2 4Å; W135-W281 HydrophobicContact CE3-CZ2 4.25Å; W135-W281 AromaticContact CE3-NE1 3.3Å; W135-W281 VanDerWaalsContact CE3-NE1 3.3Å; W135-W281 AromaticContact CH2-NE1 3.73Å; W135-W281 AromaticContact CZ3-CE2 3.83Å; W135-W281 AromaticContact CZ3-CZ2 3.85Å; W135-W281 HydrophobicContact CZ3-CZ2 3.85Å; W135-W281 AromaticContact CZ3-NE1 3.23Å; Q150-W281 PolarHBondContact NE2-O 2.89Å; I151-W281 HydrophobicContact CB-CB 4.42Å; I151-W281 PolarHBondContact O-N 2.79Å; W220-W281 HydrophobicContact CH2-CH2 4.09Å; W220-W281 HydrophobicContact CH2-CZ3 4.28Å; W220-W281 HydrophobicContact CZ3-CH2 4.04Å; W220-W281 HydrophobicContact CZ3-CZ3 4.12Å; L236-W281 HydrophobicContact CD2-CH2 3.45Å; L236-W281 VanDerWaalsContact CD2-CH2 3.45Å; L236-W281 HydrophobicContact CD2-CZ2 4.36Å; L236-W281 HydrophobicContact CD2-CZ3 3.87Å; L245-W281 HydrophobicContact CD1-CB 4.22Å; L245-W281 HydrophobicContact CD1-CD2 3.97Å; L245-W281 HydrophobicContact CD1-CE3 4.48Å; L245-W281 HydrophobicContact CD1-CG 3.85Å; L245-W281 HydrophobicContact CD2-CD2 3.98Å; L245-W281 HydrophobicContact CD2-CE3 3.9Å; L245-W281 HydrophobicContact CD2-CH2 3.98Å; L245-W281 HydrophobicContact CD2-CZ2 4.09Å; L245-W281 HydrophobicContact CD2-CZ3 3.9Å; L245-W281 HydrophobicContact CG-CD2 4.29Å; L245-W281 HydrophobicContact CG-CE3 4.31Å; L256-W281 HydrophobicContact CD1-CH2 3.7Å; L256-W281 HydrophobicContact CD1-CZ2 4.06Å; L256-W281 HydrophobicContact CD2-CH2 3.65Å; L256-W281 HydrophobicContact CD2-CZ2 3.76Å; L256-W281 HydrophobicContact CG-CH2 4.31Å; L256-W281 HydrophobicContact CG-CZ2 4.44Å; W281-L299 HydrophobicContact CE3-CD1 3.61Å; W281-L299 HydrophobicContact CE3-CG 4.21Å; W281-L299 HydrophobicContact CZ3-CD1 3.96Å; W281-L299 HydrophobicContact CZ3-CD2 4.29Å; W281-L299 HydrophobicContact CZ3-CG 4.04Å; W281-A301 HydrophobicContact CD2-CB 3.82Å; W281-A301 HydrophobicContact CE3-CB 3.68Å; W281-A301 HydrophobicContact CG-CB 4.49Å; W281-A301 HydrophobicContact CH2-CB 4.09Å; W281-A301 HydrophobicContact CZ2-CB 4.19Å; W281-A301 HydrophobicContact CZ3-CB 3.83Å
282	Y	98.8	Very high	96.3	Very high	24 Å²	24	43.4 Å²	43.4	9%	0.094	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	111	168.5	-67.9	-75.4	0	0	0	108.7	W148 I179 P180 M183 H300 V302	W148-Y282 HydrophobicContact CH2-CD1 4.09Å; W148-Y282 AromaticContact CZ2-CD1 3.74Å; W148-Y282 HydrophobicContact CZ2-CD1 3.74Å; W148-Y282 HydrophobicContact CZ2-CE1 4.38Å; I179-Y282 HydrophobicContact CG2-CE1 4.06Å; P180-Y282 HydrophobicContact CG-CE1 4.43Å; M183-Y282 HydrophobicContact CE-CD1 4.5Å; M183-Y282 HydrophobicContact CE-CD2 4.37Å; M183-Y282 HydrophobicContact CE-CE1 4.12Å; M183-Y282 HydrophobicContact CE-CE2 3.93Å; M183-Y282 HydrophobicContact SD-CD1 3.64Å; M183-Y282 HydrophobicContact SD-CD2 4.28Å; M183-Y282 HydrophobicContact SD-CE1 3.67Å; M183-Y282 HydrophobicContact SD-CE2 4.26Å; M183-Y282 HydrophobicContact SD-CG 3.98Å; Y282-H300 VanDerWaalsContact CB-CE1 3.45Å; Y282-H300 WeakPolarHBondContact CB-CE1 3.06Å; Y282-H300 AromaticContact CD2-CD2 3.87Å; Y282-H300 AromaticContact CD2-NE2 3.46Å; Y282-H300 WeakPolarHBondContact CD2-NE2 3.13Å; Y282-H300 AromaticContact CG-NE2 3.81Å; Y282-H300 PolarHBondContact N-O 2.67Å; Y282-H300 PolarHBondContact O-N 3.3Å; Y282-V302 HydrophobicContact CD2-CG1 4.37Å; Y282-V302 HydrophobicContact CD2-CG2 4.46Å; Y282-V302 HydrophobicContact CE2-CG1 4.13Å; Y282-V302 HydrophobicContact CE2-CG2 3.71Å
283	C	98.2	Very high	96.5	Very high	7 Å²	7	39.9 Å²	39.9	5%	0.047	21%	0.213	C	C	.	.			trans	-110.9	159.9	175.9	-63.2	0	0	0	0	109.5	L139 W148 R244 L299	L139-C283 HydrophobicContact CD2-CB 4.42Å; W148-C283 WeakPolarHBondContact CH2-O 3.34Å; W148-C283 WeakPolarHBondContact CZ3-O 3.34Å; R244-C283 HydrophobicContact CB-CB 4.29Å; R244-C283 HydrophobicContact CG-CB 4.17Å; C283-L299 VanDerWaalsContact SG-CD1 3.5Å
284	A	98.5	Very high	96.8	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.008	21%	0.21	C	C	.	.			trans	-57.3	140.5	169.7	0	0	0	0	0	111.5	T243 R244 M294 W297	T243-A284 PolarHBondContact O-N 3.12Å; R244-A284 HydrophobicContact CG-CB 4Å; R244-A284 PolarHBondContact NE-O 3.05Å; A284-M294 HydrophobicContact CB-CB 3.88Å; A284-M294 HydrophobicContact CB-CG 4.12Å; A284-M294 HydrophobicContact CB-SD 4.46Å; A284-W297 HydrophobicContact CB-CB 3.71Å; A284-W297 HydrophobicContact CB-CD2 4.21Å; A284-W297 HydrophobicContact CB-CG 3.69Å
285	P	98.5	Very high	97.1	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	20%	0.197	C	C	.	.			trans	-47.4	147.9	177.4	-33.1	37.5	0	0	0	114.2	W148 L176 R244 Y289 W297	W148-P285 HydrophobicContact CE3-CG 4.37Å; W148-P285 HydrophobicContact CZ3-CG 4.19Å; L176-P285 HydrophobicContact CD1-CG 4.29Å; L176-P285 HydrophobicContact CD2-CB 3.94Å; L176-P285 HydrophobicContact CD2-CG 3.76Å; R244-P285 PolarHBondContact NE-O 3.16Å; R244-P285 PolarHBondContact NH2-O 3.16Å; P285-Y289 HydrophobicContact CB-CD1 4.28Å; P285-Y289 HydrophobicContact CB-CD2 3.83Å; P285-Y289 HydrophobicContact CB-CG 3.65Å; P285-W297 VanDerWaalsContact CD-NE1 3.26Å; P285-W297 HydrophobicContact CG-CZ2 4.13Å
286	T	98.4	Very high	97.4	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.012	20%	0.199	C	C	.	.			trans	-116.8	-157.5	-176.6	54.3	0	0	0	0	109.9	L139 S143 Y146 D147 R288 Y289 L290	L139-T286 HydrophobicContact CD1-CG2 4.44Å; S143-T286 WeakPolarHBondContact O-CB 3.18Å; S143-T286 VanDerWaalsContact OG-CG2 3.32Å; S143-T286 WeakPolarHBondContact OG-CG2 3.35Å; Y146-T286 CarbonylContact O-C 3.5Å; Y146-T286 WeakPolarHBondContact O-CB 3.23Å; Y146-T286 PolarHBondContact O-OG1 3.39Å; D147-T286 WeakPolarHBondContact CA-O 3.45Å; D147-T286 PolarHBondContact O-N 3.12Å; D147-T286 PolarHBondContact O-OG1 2.87Å; T286-R288 PolarHBondContact O-N 3.11Å; T286-Y289 VanDerWaalsContact O-CB 3.32Å; T286-Y289 WeakPolarHBondContact O-CB 3.46Å; T286-Y289 WeakPolarHBondContact O-CD2 2.97Å; T286-Y289 PolarHBondContact O-N 3.32Å; T286-L290 HydrophobicContact CG2-CD2 4.31Å
287	G	97.5	Very high	97.6	Very high	13 Å²	13	37.3 Å²	37.3	13%	0.134	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	56.8	-120.8	178.1	0	0	0	0	0	111.7	S143 Y146 Y289 L290	S143-G287 WeakPolarHBondContact O-CA 3.4Å; S143-G287 PolarHBondContact O-N 3.33Å; Y146-G287 WeakPolarHBondContact O-CA 3.23Å; Y146-G287 PolarHBondContact O-N 3.34Å; G287-Y289 PolarHBondContact O-N 3.39Å; G287-Y289 VanDerWaalsContact O-N 3.1Å; G287-L290 WeakPolarHBondContact O-CB 3.36Å; G287-L290 WeakPolarHBondContact O-CG 3.22Å; G287-L290 PolarHBondContact O-N 3.48Å; G287-L290 VanDerWaalsContact O-N 3.1Å
288	R	96.8	Very high	97.6	Very high	164 Å²	164	37.3 Å²	37.3	62%	0.619	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-58.9	-25.5	179.4	-63.5	-180	-70	172.2	-2.9	113	D147 K174 T286	D147-R288 WeakPolarHBondContact OD1-CB 3.37Å; D147-R288 WeakPolarHBondContact OD1-CG 3.43Å; D147-R288 PolarHBondContact OD1-N 2.89Å; D147-R288 IonicContact OD1-NE 3.44Å; D147-R288 PolarHBondContact OD1-NE 3.37Å; D147-R288 IonicContact OD2-CZ 3.41Å; D147-R288 IonicContact OD2-NE 3.86Å; D147-R288 PolarHBondContact OD2-NE 2.85Å; D147-R288 IonicContact OD2-NH2 2.85Å; D147-R288 PolarHBondContact OD2-NH2 3.26Å; K174-R288 PolarHBondContact O-NH2 2.57Å; T286-R288 PolarHBondContact O-N 3.11Å
289	Y	97.3	Very high	97.7	Very high	56 Å²	56	35.8 Å²	35.8	22%	0.22	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-85.8	-5.9	-177.4	-61.9	-88	0	0	0	114	D147 L176 P285 T286 G287 S291 H292 M294	D147-Y289 HydrophobicContact CB-CD2 4.03Å; D147-Y289 HydrophobicContact CB-CE2 3.97Å; L176-Y289 HydrophobicContact CD1-CE1 4.3Å; L176-Y289 HydrophobicContact CD1-CE2 4.06Å; L176-Y289 HydrophobicContact CG-CE2 4.09Å; P285-Y289 HydrophobicContact CB-CD1 4.28Å; P285-Y289 HydrophobicContact CB-CD2 3.83Å; P285-Y289 HydrophobicContact CB-CG 3.65Å; T286-Y289 VanDerWaalsContact O-CB 3.32Å; T286-Y289 WeakPolarHBondContact O-CB 3.46Å; T286-Y289 WeakPolarHBondContact O-CD2 2.97Å; T286-Y289 PolarHBondContact O-N 3.32Å; G287-Y289 PolarHBondContact O-N 3.39Å; G287-Y289 VanDerWaalsContact O-N 3.1Å; Y289-S291 PolarHBondContact O-N 2.99Å; Y289-H292 AromaticContact CD1-ND1 3.65Å; Y289-H292 WeakPolarHBondContact O-CB 3.32Å; Y289-H292 PolarHBondContact O-N 3.25Å; Y289-M294 HydrophobicContact CD1-CE 3.88Å; Y289-M294 HydrophobicContact CG-CE 4.23Å
290	L	96.2	Very high	97.7	Very high	81 Å²	81	35.4 Å²	35.4	42%	0.424	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-60.2	-29.3	179.9	-73.9	174.3	0	0	0	113.2	S143 T286 G287	S143-L290 WeakPolarHBondContact O-CD1 3.32Å; T286-L290 HydrophobicContact CG2-CD2 4.31Å; G287-L290 WeakPolarHBondContact O-CB 3.36Å; G287-L290 WeakPolarHBondContact O-CG 3.22Å; G287-L290 PolarHBondContact O-N 3.48Å; G287-L290 VanDerWaalsContact O-N 3.1Å
291	S	94.5	Very high	97.7	Very high	105 Å²	105	35.1 Å²	35.1	73%	0.734	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-83.7	-9.4	178.1	63.8	0	0	0	0	113.8	Y289	Y289-S291 PolarHBondContact O-N 2.99Å
292	H	95.9	Very high	97.7	Very high	106 Å²	106	36 Å²	36	49%	0.491	19%	0.185	S	C	.	.	S	Bend	trans	-87.4	152.9	-177.2	-65.2	-174.2	0	0	0	111.2	Y289 M294	Y289-H292 AromaticContact CD1-ND1 3.65Å; Y289-H292 WeakPolarHBondContact O-CB 3.32Å; Y289-H292 PolarHBondContact O-N 3.25Å; H292-M294 HydrophobicContact CB-CE 3.57Å; H292-M294 PolarHBondContact O-N 3.3Å
293	N	96.1	Very high	97.7	Very high	121 Å²	121	34.9 Å²	34.9	65%	0.647	18%	0.181	S	C	*	.			trans	-68.3	120.4	168.4	-175.4	-0.8	0	0	0	110	S295	N293-S295 VanDerWaalsContact OD1-CB 3.23Å; N293-S295 WeakPolarHBondContact OD1-CB 3.49Å; N293-S295 PolarHBondContact OD1-N 3.02Å; N293-S295 PolarHBondContact OD1-OG 3.17Å
294	M	97.1	Very high	97.7	Very high	13 Å²	13	36.9 Å²	36.9	6%	0.064	19%	0.191	C	C	.	.			trans	-113.1	22.9	179.2	-67.5	-67.7	156.8	0	0	112.7	A284 Y289 H292 H296 W297	A284-M294 HydrophobicContact CB-CB 3.88Å; A284-M294 HydrophobicContact CB-CG 4.12Å; A284-M294 HydrophobicContact CB-SD 4.46Å; Y289-M294 HydrophobicContact CD1-CE 3.88Å; Y289-M294 HydrophobicContact CG-CE 4.23Å; H292-M294 HydrophobicContact CB-CE 3.57Å; H292-M294 PolarHBondContact O-N 3.3Å; M294-H296 PolarHBondContact O-N 2.78Å; M294-W297 WeakPolarHBondContact O-CB 3.2Å; M294-W297 PolarHBondContact O-N 2.95Å
295	S	97.3	Very high	97.6	Very high	34 Å²	34	36.8 Å²	36.8	24%	0.238	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.9	-179.5	65.7	0	0	0	0	113.9	H191 H241 N293 W297	H191-S295 PolarHBondContact NE2-OG 3.35Å; H191-S295 VanDerWaalsContact NE2-OG 3.13Å; H241-S295 PolarHBondContact CE1-O 2.99Å; H241-S295 PolarHBondContact NE2-O 2.82Å; N293-S295 VanDerWaalsContact OD1-CB 3.23Å; N293-S295 WeakPolarHBondContact OD1-CB 3.49Å; N293-S295 PolarHBondContact OD1-N 3.02Å; N293-S295 PolarHBondContact OD1-OG 3.17Å; S295-W297 VanDerWaalsContact C-N 3.33Å
296	H	98.4	Very high	97.5	Very high	9 Å²	9	37 Å²	37	4%	0.042	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-20.8	175.3	59.1	-78.9	0	0	0	113.9	N184 H191 C197 M294	N184-H296 PolarHBondContact OD1-NE2 2.8Å; H191-H296 HydrophobicContact CB-CB 3.53Å; C197-H296 PolarHBondContact SG-O 3.44Å; C197-H296 VanDerWaalsContact SG-O 3.35Å; M294-H296 PolarHBondContact O-N 2.78Å
297	W	98.6	Very high	97.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.192	C	C	.	.			trans	-80.8	147.2	179.8	-86.1	90.4	0	0	0	112.6	W148 M183 N184 Q187 H241 A284 P285 M294 S295	W148-W297 AromaticContact CH2-CH2 3.7Å; W148-W297 HydrophobicContact CH2-CH2 3.7Å; W148-W297 HydrophobicContact CH2-CZ2 4.46Å; W148-W297 HydrophobicContact CH2-CZ3 4.19Å; W148-W297 AromaticContact CZ3-CH2 3.85Å; W148-W297 HydrophobicContact CZ3-CH2 3.85Å; W148-W297 HydrophobicContact CZ3-CZ2 4.16Å; M183-W297 HydrophobicContact CB-CH2 4.21Å; N184-W297 HydrophobicContact CB-CZ2 3.73Å; N184-W297 PolarHBondContact OD1-NE1 3.49Å; Q187-W297 VanDerWaalsContact NE2-CE3 3.35Å; H241-W297 PolarHBondContact NE2-O 3.3Å; A284-W297 HydrophobicContact CB-CB 3.71Å; A284-W297 HydrophobicContact CB-CD2 4.21Å; A284-W297 HydrophobicContact CB-CG 3.69Å; P285-W297 VanDerWaalsContact CD-NE1 3.26Å; P285-W297 HydrophobicContact CG-CZ2 4.13Å; M294-W297 WeakPolarHBondContact O-CB 3.2Å; M294-W297 PolarHBondContact O-N 2.95Å; S295-W297 VanDerWaalsContact C-N 3.33Å
298	Q	98.7	Very high	97	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.19	C	C	.	.			trans	-130	128.7	164.5	176.9	66.4	13	0	0	109.3	L199 L200 P238 R240 H241 V242 H300	L199-Q298 HydrophobicContact CB-CB 3.73Å; L199-Q298 HydrophobicContact CB-CG 3.77Å; L199-Q298 HydrophobicContact CD1-CB 4.14Å; L199-Q298 HydrophobicContact CD1-CG 4.41Å; L199-Q298 HydrophobicContact CG-CB 4.39Å; L200-Q298 HydrophobicContact CD2-CG 4.42Å; P238-Q298 PolarHBondContact O-NE2 2.64Å; R240-Q298 PolarHBondContact O-NE2 3.11Å; H241-Q298 PolarHBondContact CD2-OE1 2.91Å; H241-Q298 VanDerWaalsContact CD2-OE1 3.3Å; V242-Q298 WeakPolarHBondContact O-CA 3.22Å; V242-Q298 PolarHBondContact O-OE1 3.41Å; Q298-H300 PolarHBondContact O-N 2.85Å; Q298-H300 PolarHBondContact O-ND1 3.36Å
299	L	98.8	Very high	96.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.			trans	-55.3	131.4	171.6	172.8	65	0	0	0	110	W220 P238 V242 L245 L248 W281 C283	W220-L299 HydrophobicContact CH2-CD2 4.05Å; P238-L299 WeakPolarHBondContact CD-O 3.36Å; P238-L299 HydrophobicContact CG-CB 4.29Å; P238-L299 HydrophobicContact CG-CD2 4.29Å; V242-L299 HydrophobicContact CB-CB 4.3Å; V242-L299 HydrophobicContact CG1-CB 4.18Å; V242-L299 HydrophobicContact CG1-CD2 3.82Å; V242-L299 WeakPolarHBondContact O-CB 3.23Å; V242-L299 PolarHBondContact O-N 3.35Å; L245-L299 HydrophobicContact CD2-CD1 4.2Å; L245-L299 HydrophobicContact CD2-CD2 3.96Å; L245-L299 HydrophobicContact CG-CD1 3.94Å; L245-L299 HydrophobicContact CG-CD2 4.32Å; L248-L299 HydrophobicContact CD1-CD2 4.29Å; L248-L299 HydrophobicContact CD2-CD2 4.16Å; L248-L299 HydrophobicContact CG-CD2 4.3Å; W281-L299 HydrophobicContact CE3-CD1 3.61Å; W281-L299 HydrophobicContact CE3-CG 4.21Å; W281-L299 HydrophobicContact CZ3-CD1 3.96Å; W281-L299 HydrophobicContact CZ3-CD2 4.29Å; W281-L299 HydrophobicContact CZ3-CG 4.04Å; C283-L299 VanDerWaalsContact SG-CD1 3.5Å
300	H	98.8	Very high	96.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	155.9	170.2	60.6	-74.3	0	0	0	111.2	L199 M235 L236 L237 Y282 Q298	L199-H300 HydrophobicContact CD1-CB 4.28Å; L199-H300 VanDerWaalsContact CD1-ND1 3.34Å; L199-H300 WeakPolarHBondContact CD1-ND1 3.32Å; M235-H300 HydrophobicContact CG-CB 4.22Å; M235-H300 HydrophobicContact SD-CB 4.45Å; L236-H300 CarbonylContact O-C 3.51Å; L236-H300 VanDerWaalsContact O-CA 3.24Å; L236-H300 WeakPolarHBondContact O-CA 3.36Å; L236-H300 WeakPolarHBondContact O-CB 3.32Å; L237-H300 HydrophobicContact CB-CB 3.98Å; Y282-H300 VanDerWaalsContact CB-CE1 3.45Å; Y282-H300 WeakPolarHBondContact CB-CE1 3.06Å; Y282-H300 AromaticContact CD2-CD2 3.87Å; Y282-H300 AromaticContact CD2-NE2 3.46Å; Y282-H300 WeakPolarHBondContact CD2-NE2 3.13Å; Y282-H300 AromaticContact CG-NE2 3.81Å; Y282-H300 PolarHBondContact N-O 2.67Å; Y282-H300 PolarHBondContact O-N 3.3Å; Q298-H300 PolarHBondContact O-N 2.85Å; Q298-H300 PolarHBondContact O-ND1 3.36Å
301	A	98.9	Very high	95.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	149.6	166.5	0	0	0	0	0	109.9	M235 L236 G280 W281 F303	M235-A301 CarbonylContact C-O 3.59Å; M235-A301 WeakPolarHBondContact CA-O 3.49Å; L236-A301 HydrophobicContact CB-CB 4.39Å; L236-A301 HydrophobicContact CD2-CB 4.22Å; L236-A301 PolarHBondContact N-O 3.35Å; L236-A301 PolarHBondContact O-N 3.08Å; G280-A301 VanDerWaalsContact O-CA 3.25Å; G280-A301 WeakPolarHBondContact O-CA 3.37Å; W281-A301 HydrophobicContact CD2-CB 3.82Å; W281-A301 HydrophobicContact CE3-CB 3.68Å; W281-A301 HydrophobicContact CG-CB 4.49Å; W281-A301 HydrophobicContact CH2-CB 4.09Å; W281-A301 HydrophobicContact CZ2-CB 4.19Å; W281-A301 HydrophobicContact CZ3-CB 3.83Å; A301-F303 HydrophobicContact CB-CE2 4.29Å
302	V	98.6	Very high	95.4	Very high	18 Å²	18	25.9 Å²	25.9	11%	0.109	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	145.5	170.3	-59.3	0	0	0	0	110	T234 M279 G280 Y282 L304	T234-V302 CarbonylContact O-C 3.5Å; T234-V302 WeakPolarHBondContact O-CA 3.16Å; M279-V302 WeakPolarHBondContact CA-O 3.32Å; M279-V302 VanDerWaalsContact CB-O 3.3Å; M279-V302 WeakPolarHBondContact CB-O 3.32Å; G280-V302 PolarHBondContact N-O 2.91Å; G280-V302 VanDerWaalsContact N-O 3.14Å; G280-V302 PolarHBondContact O-N 3.31Å; Y282-V302 HydrophobicContact CD2-CG1 4.37Å; Y282-V302 HydrophobicContact CD2-CG2 4.46Å; Y282-V302 HydrophobicContact CE2-CG1 4.13Å; Y282-V302 HydrophobicContact CE2-CG2 3.71Å; V302-L304 HydrophobicContact CB-CD2 4.44Å; V302-L304 HydrophobicContact CG2-CD2 4.35Å; V302-L304 HydrophobicContact CG2-CG 4.41Å
303	F	98.7	Very high	95.1	Very high	1 Å²	1	21.4 Å²	21.4	0%	0.004	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	127.8	171.8	-67.6	-102	0	0	0	108.9	E233 T234 L260 L263 L264 Y267 Y277 M279 A301 P305	E233-F303 VanDerWaalsContact CA-O 3.29Å; E233-F303 WeakPolarHBondContact CA-O 3.5Å; E233-F303 WeakPolarHBondContact CG-O 3.4Å; T234-F303 PolarHBondContact N-O 2.84Å; T234-F303 VanDerWaalsContact N-O 3.16Å; T234-F303 PolarHBondContact O-N 3.49Å; T234-F303 WeakPolarHBondContact OG1-CB 3.36Å; L260-F303 HydrophobicContact CD2-CE2 4.29Å; L260-F303 HydrophobicContact CD2-CZ 3.66Å; L263-F303 HydrophobicContact CD2-CD1 4.43Å; L263-F303 HydrophobicContact CD2-CD2 3.78Å; L263-F303 HydrophobicContact CD2-CE1 4.36Å; L263-F303 HydrophobicContact CD2-CE2 3.71Å; L263-F303 HydrophobicContact CD2-CG 4.17Å; L263-F303 HydrophobicContact CD2-CZ 4.02Å; L264-F303 HydrophobicContact CD1-CE1 4.47Å; L264-F303 HydrophobicContact CD2-CD1 4.17Å; L264-F303 HydrophobicContact CD2-CE1 3.87Å; Y267-F303 HydrophobicContact CE2-CB 3.92Å; Y267-F303 HydrophobicContact CE2-CD1 4.13Å; Y267-F303 HydrophobicContact CE2-CG 4.18Å; Y277-F303 AromaticContact CD2-CD1 3.93Å; Y277-F303 HydrophobicContact CD2-CD1 3.93Å; Y277-F303 HydrophobicContact CD2-CE1 4.41Å; Y277-F303 HydrophobicContact CE2-CD1 4.1Å; Y277-F303 HydrophobicContact CE2-CE1 4.12Å; Y277-F303 HydrophobicContact CG-CD1 4.26Å; M279-F303 HydrophobicContact CB-CD1 3.46Å; M279-F303 VanDerWaalsContact CB-CD1 3.46Å; M279-F303 HydrophobicContact CB-CD2 4.47Å; M279-F303 HydrophobicContact CB-CE1 3.58Å; M279-F303 HydrophobicContact CB-CG 3.93Å; M279-F303 HydrophobicContact CB-CZ 4.14Å; M279-F303 HydrophobicContact CE-CE1 3.94Å; M279-F303 HydrophobicContact CE-CE2 4.21Å; M279-F303 HydrophobicContact CE-CZ 3.54Å; M279-F303 HydrophobicContact CG-CD1 4.17Å; M279-F303 HydrophobicContact CG-CE1 3.82Å; M279-F303 HydrophobicContact CG-CZ 4.36Å; A301-F303 HydrophobicContact CB-CE2 4.29Å; F303-P305 VanDerWaalsContact C-CD 3.41Å; F303-P305 WeakPolarHBondContact O-CD 3.3Å
304	L	98.1	Very high	94.9	Very high	49 Å²	49	17.6 Å²	17.6	26%	0.257	10%	0.096	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	75	-172.6	-51.1	178.6	0	0	0	110	W230 E233 S278 V302	W230-L304 HydrophobicContact CD2-CB 4.41Å; W230-L304 HydrophobicContact CG-CB 4.07Å; W230-L304 HydrophobicContact CG-CD2 4.45Å; E233-L304 HydrophobicContact CG-CD2 3.94Å; S278-L304 PolarHBondContact N-O 3.2Å; S278-L304 WeakPolarHBondContact O-CB 3.21Å; S278-L304 PolarHBondContact O-N 3.42Å; V302-L304 HydrophobicContact CB-CD2 4.44Å; V302-L304 HydrophobicContact CG2-CD2 4.35Å; V302-L304 HydrophobicContact CG2-CG 4.41Å
305	P	97.2	Very high	94.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.095	C	C	.	.			trans	-81.4	134.8	-179.4	30.4	-32.9	0	0	0	112.3	F232 Y267 F275 P276 F303	F232-P305 HydrophobicContact CB-CG 3.91Å; F232-P305 WeakPolarHBondContact O-CG 3.41Å; Y267-P305 HydrophobicContact CE1-CG 4.29Å; F275-P305 HydrophobicContact CD1-CB 3.68Å; F275-P305 HydrophobicContact CE1-CB 3.11Å; F275-P305 HydrophobicContact CE1-CG 3.69Å; F275-P305 HydrophobicContact CZ-CB 4.03Å; F275-P305 HydrophobicContact CZ-CG 4.5Å; P276-P305 WeakPolarHBondContact O-CA 3.4Å; P276-P305 WeakPolarHBondContact O-CB 3.24Å; F303-P305 VanDerWaalsContact C-CD 3.41Å; F303-P305 WeakPolarHBondContact O-CD 3.3Å
306	P	95.3	Very high	94.4	Very high	5 Å²	5	19.5 Å²	19.5	3%	0.032	10%	0.099	C	C	.	.			trans	-83.4	-21.5	-177.7	34.4	-35	0	0	0	113.5	A158 V159 W230 P276 K314 K315	A158-P306 HydrophobicContact CB-CG 4.19Å; V159-P306 HydrophobicContact CG1-CG 3.97Å; W230-P306 HydrophobicContact CE3-CB 4.31Å; W230-P306 HydrophobicContact CZ3-CB 3.88Å; P276-P306 HydrophobicContact CB-CG 4.3Å; P276-P306 HydrophobicContact CG-CG 3.92Å; P276-P306 WeakPolarHBondContact O-CD 3.18Å; P306-K314 HydrophobicContact CB-CB 4.23Å; P306-K314 CarbonylContact O-C 3.6Å; P306-K314 VanDerWaalsContact O-CA 3.29Å; P306-K314 WeakPolarHBondContact O-CA 3.19Å; P306-K314 WeakPolarHBondContact O-CB 3.48Å; P306-K315 PolarHBondContact O-N 2.62Å
307	L	94.1	Very high	94.2	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.021	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-63.7	138.9	-176.4	-63.3	-174.8	0	0	0	111.9	P231 F232 F271 T273 F275 P276 K314	P231-L307 WeakPolarHBondContact CB-O 3.12Å; F232-L307 WeakPolarHBondContact CD2-O 3.08Å; F271-L307 HydrophobicContact CD2-CB 3.97Å; F271-L307 HydrophobicContact CD2-CD1 3.96Å; F271-L307 HydrophobicContact CE2-CB 3.85Å; T273-L307 HydrophobicContact CG2-CD1 4.11Å; F275-L307 HydrophobicContact CD2-CD1 3.73Å; F275-L307 HydrophobicContact CE2-CB 3.89Å; F275-L307 HydrophobicContact CE2-CD1 3.83Å; F275-L307 HydrophobicContact CE2-CG 4.36Å; F275-L307 HydrophobicContact CG-CD1 4.46Å; F275-L307 HydrophobicContact CZ-CB 4.07Å; P276-L307 HydrophobicContact CG-CD1 4.15Å; P276-L307 HydrophobicContact CG-CD2 4.28Å; P276-L307 HydrophobicContact CG-CG 3.86Å; L307-K314 HydrophobicContact CD2-CB 4.29Å
308	L	91.1	Very high	93.9	Very high	15 Å²	15	23.6 Å²	23.6	8%	0.079	13%	0.127	C	C	.	.			trans	-121.9	-59.5	-173.7	175.3	61.8	0	0	0	112.9	L26 P231 V313 K315 D329	L26-L308 HydrophobicContact CD2-CD1 3.92Å; L26-L308 HydrophobicContact CD2-CD2 4.38Å; L26-L308 HydrophobicContact CD2-CG 4.18Å; P231-L308 HydrophobicContact CB-CB 4.36Å; P231-L308 HydrophobicContact CB-CD1 3.62Å; P231-L308 HydrophobicContact CG-CB 3.92Å; P231-L308 HydrophobicContact CG-CD1 3.66Å; P231-L308 HydrophobicContact CG-CG 4.33Å; L308-V313 PolarHBondContact N-O 3.34Å; L308-K315 HydrophobicContact CB-CB 4.38Å; L308-D329 HydrophobicContact CD2-CB 4.48Å
309	R	86.1	Confident	93.8	Very high	82 Å²	82	26 Å²	26	31%	0.309	15%	0.151	S	C	.	.	S	Bend	trans	-107.5	-29	-172.5	-55.7	-172.1	-179.4	179.9	-1.6	114	R25 L26 R28 F271 V313	R25-R309 PolarHBondContact O-NH2 3.03Å; L26-R309 HydrophobicContact CD2-CG 4.37Å; L26-R309 PolarHBondContact O-NH2 2.74Å; R28-R309 VanDerWaalsContact O-CZ 3.27Å; R28-R309 PolarHBondContact O-NH1 3.21Å; R28-R309 PolarHBondContact O-NH2 3.1Å; F271-R309 WeakPolarHBondContact CE1-O 3.44Å; R309-V313 HydrophobicContact CB-CB 4.06Å; R309-V313 HydrophobicContact CB-CG1 4.1Å; R309-V313 HydrophobicContact CG-CG1 4.08Å; R309-V313 PolarHBondContact N-O 2.72Å
310	S	89.3	Confident	93.6	Very high	34 Å²	34	31.2 Å²	31.2	24%	0.238	17%	0.174	C	C	.	.	S	Bend	trans	-159.8	179.8	-175.9	67.7	0	0	0	0	109.7	T312 V313	S310-T312 PolarHBondContact O-N 3.33Å; S310-T312 VanDerWaalsContact O-N 3.14Å; S310-T312 PolarHBondContact OG-N 2.96Å; S310-T312 VanDerWaalsContact OG-N 3.09Å; S310-T312 PolarHBondContact OG-OG1 3.17Å; S310-V313 PolarHBondContact O-N 2.98Å; S310-V313 PolarHBondContact OG-N 2.87Å; S310-V313 VanDerWaalsContact OG-N 3.08Å
311	A	89.3	Confident	93.5	Very high	21 Å²	21	32.7 Å²	32.7	17%	0.174	18%	0.181	C	C	.	.	S	Bend	trans	-57.7	-20.4	168.7	0	0	0	0	0	113.6	P37 F271 T273	P37-A311 HydrophobicContact CG-CB 4.14Å; F271-A311 HydrophobicContact CB-CB 4.17Å; T273-A311 HydrophobicContact CG2-CB 3.67Å
312	T	87.5	Confident	93.3	Very high	32 Å²	32	38.9 Å²	38.9	20%	0.196	21%	0.213	C	C	.	.	S	Bend	trans	-108.8	-17.6	-174.2	65.2	0	0	0	0	113.5	E34 E35 P37 S310	E34-T312 CarbonylContact C-O 3.52Å; E34-T312 WeakPolarHBondContact CA-O 3.41Å; E35-T312 PolarHBondContact N-O 3.18Å; E35-T312 VanDerWaalsContact O-CB 3.28Å; E35-T312 WeakPolarHBondContact O-CB 3.37Å; E35-T312 WeakPolarHBondContact O-CG2 3.42Å; P37-T312 HydrophobicContact CG-CG2 3.77Å; S310-T312 PolarHBondContact O-N 3.33Å; S310-T312 VanDerWaalsContact O-N 3.14Å; S310-T312 PolarHBondContact OG-N 2.96Å; S310-T312 VanDerWaalsContact OG-N 3.09Å; S310-T312 PolarHBondContact OG-OG1 3.17Å
313	V	88.9	Confident	93.2	Very high	12 Å²	12	45.1 Å²	45.1	7%	0.073	25%	0.245	C	C	.	.			trans	-113.5	106.6	-174.8	-179.3	0	0	0	0	110.9	W30 L308 R309 S310	W30-V313 HydrophobicContact CD2-CG1 4.23Å; W30-V313 HydrophobicContact CG-CG1 4.08Å; L308-V313 PolarHBondContact N-O 3.34Å; R309-V313 HydrophobicContact CB-CB 4.06Å; R309-V313 HydrophobicContact CB-CG1 4.1Å; R309-V313 HydrophobicContact CG-CG1 4.08Å; R309-V313 PolarHBondContact N-O 2.72Å; S310-V313 PolarHBondContact O-N 2.98Å; S310-V313 PolarHBondContact OG-N 2.87Å; S310-V313 VanDerWaalsContact OG-N 3.08Å
314	K	91.6	Very high	93.1	Very high	40 Å²	40	49.4 Å²	49.4	17%	0.174	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-96	158.9	176.8	73.3	179.1	178.1	-162.9	0	113.6	E35 P306 L307 F316	E35-K314 HydrophobicContact CG-CD 4.25Å; E35-K314 HydrophobicContact CG-CG 4.49Å; E35-K314 VanDerWaalsContact OE1-CD 3.24Å; E35-K314 WeakPolarHBondContact OE1-CD 3.44Å; E35-K314 WeakPolarHBondContact OE1-CE 3.32Å; E35-K314 IonicContact OE1-NZ 2.77Å; E35-K314 PolarHBondContact OE1-NZ 2.76Å; P306-K314 HydrophobicContact CB-CB 4.23Å; P306-K314 CarbonylContact O-C 3.6Å; P306-K314 VanDerWaalsContact O-CA 3.29Å; P306-K314 WeakPolarHBondContact O-CA 3.19Å; P306-K314 WeakPolarHBondContact O-CB 3.48Å; L307-K314 HydrophobicContact CD2-CB 4.29Å; K314-F316 HydrophobicContact CD-CE1 4.48Å; K314-F316 HydrophobicContact CD-CE2 4.47Å; K314-F316 HydrophobicContact CD-CZ 4.21Å; K314-F316 HydrophobicContact CG-CD2 4.15Å; K314-F316 HydrophobicContact CG-CE1 4.48Å; K314-F316 HydrophobicContact CG-CE2 3.66Å; K314-F316 HydrophobicContact CG-CZ 3.87Å; K314-F316 WeakPolarHBondContact O-CD2 3.35Å
315	K	93	Very high	93	Very high	12 Å²	12	48.6 Å²	48.6	5%	0.052	27%	0.269	C	S	.	.			trans	-73.8	135.6	163.6	174.4	67.4	-174	-175.3	0	109	P231 P306 L308 E321 Q327 D329	P231-K315 HydrophobicContact CG-CB 3.68Å; P231-K315 HydrophobicContact CG-CG 4.33Å; P306-K315 PolarHBondContact O-N 2.62Å; L308-K315 HydrophobicContact CB-CB 4.38Å; K315-E321 WeakPolarHBondContact CE-OE1 3.47Å; K315-E321 IonicContact NZ-OE1 3.19Å; K315-E321 PolarHBondContact NZ-OE1 3.4Å; K315-Q327 VanDerWaalsContact CE-O 3.24Å; K315-Q327 WeakPolarHBondContact CE-O 3.45Å; K315-Q327 PolarHBondContact NZ-O 2.92Å; K315-D329 IonicContact NZ-OD2 2.85Å
316	F	92.1	Very high	93	Very high	75 Å²	75	49.7 Å²	49.7	33%	0.329	28%	0.276	S	S	.	.			trans	-107.5	127.4	169.2	-67.4	-98.3	0	0	0	108.6	W30 K314	W30-F316 AromaticContact CH2-CD2 3.79Å; W30-F316 HydrophobicContact CH2-CD2 3.79Å; W30-F316 AromaticContact CH2-CE2 3.62Å; W30-F316 HydrophobicContact CH2-CE2 3.62Å; W30-F316 HydrophobicContact CZ2-CD2 4.33Å; W30-F316 AromaticContact CZ2-CE2 3.71Å; W30-F316 HydrophobicContact CZ2-CE2 3.71Å; K314-F316 HydrophobicContact CD-CE1 4.48Å; K314-F316 HydrophobicContact CD-CE2 4.47Å; K314-F316 HydrophobicContact CD-CZ 4.21Å; K314-F316 HydrophobicContact CG-CD2 4.15Å; K314-F316 HydrophobicContact CG-CE1 4.48Å; K314-F316 HydrophobicContact CG-CE2 3.66Å; K314-F316 HydrophobicContact CG-CZ 3.87Å; K314-F316 WeakPolarHBondContact O-CD2 3.35Å
317	M	92.6	Very high	93	Very high	55 Å²	55	49.8 Å²	49.8	27%	0.271	28%	0.276	S	S	.	.			trans	-91.2	99	168	-66.2	-66	-76.5	0	0	107	V229 W230 E321 P326	V229-M317 HydrophobicContact CG1-CE 3.53Å; V229-M317 HydrophobicContact CG1-SD 4.01Å; W230-M317 HydrophobicContact CH2-CG 3.82Å; W230-M317 HydrophobicContact CZ2-CG 3.98Å; W230-M317 HydrophobicContact CZ3-CG 4.25Å; M317-E321 HydrophobicContact CB-CB 4.45Å; M317-E321 HydrophobicContact CE-CB 3.74Å; M317-E321 HydrophobicContact CE-CG 4.03Å; M317-E321 HydrophobicContact SD-CB 4.07Å; M317-E321 HydrophobicContact SD-CG 3.89Å; M317-P326 HydrophobicContact CE-CB 3.91Å
318	A	93.3	Very high	93.1	Very high	41 Å²	41	49.7 Å²	49.7	34%	0.339	28%	0.276	S	S	.	.			trans	-135.5	-141.6	-166.9	0	0	0	0	0	110.9	F320 E321 L322	A318-F320 PolarHBondContact O-N 3.26Å; A318-F320 VanDerWaalsContact O-N 3.14Å; A318-E321 PolarHBondContact N-OE2 3.22Å; A318-E321 CarbonylContact O-C 3.39Å; A318-E321 PolarHBondContact O-N 2.8Å; A318-L322 WeakPolarHBondContact O-CB 3.27Å; A318-L322 VanDerWaalsContact O-CG 3.29Å; A318-L322 WeakPolarHBondContact O-CG 3.47Å; A318-L322 PolarHBondContact O-N 3.25Å
319	G	96.2	Very high	93.1	Very high	49 Å²	49	49.7 Å²	49.7	51%	0.505	28%	0.275	S	S	.	.	H	α-helix	trans	-39	-59.1	-164.1	0	0	0	0	0	116.5	L323	G319-L323 WeakPolarHBondContact O-CB 3.35Å; G319-L323 WeakPolarHBondContact O-CG 3.44Å; G319-L323 PolarHBondContact O-N 3.27Å
320	F	95.4	Very high	93.4	Very high	111 Å²	111	46.4 Å²	46.4	49%	0.487	26%	0.264	S	S	.	.	H	α-helix	trans	-73.9	-39.8	-178.2	-168.4	-85.9	0	0	0	112.1	I20 A318 L322 L323 C324 E325	I20-F320 HydrophobicContact CD1-CD1 4.43Å; I20-F320 HydrophobicContact CD1-CE1 3.47Å; I20-F320 VanDerWaalsContact CD1-CE1 3.47Å; I20-F320 HydrophobicContact CD1-CZ 3.98Å; A318-F320 PolarHBondContact O-N 3.26Å; A318-F320 VanDerWaalsContact O-N 3.14Å; F320-L322 PolarHBondContact O-N 3.16Å; F320-L323 PolarHBondContact O-N 2.91Å; F320-C324 HydrophobicContact CD1-CB 4.13Å; F320-C324 HydrophobicContact CD2-CB 4.27Å; F320-C324 HydrophobicContact CE1-CB 3.82Å; F320-C324 HydrophobicContact CE2-CB 3.99Å; F320-C324 HydrophobicContact CG-CB 4.34Å; F320-C324 HydrophobicContact CZ-CB 3.76Å; F320-C324 WeakPolarHBondContact O-CA 3.39Å; F320-C324 WeakPolarHBondContact O-CB 3.42Å; F320-C324 PolarHBondContact O-N 2.96Å; F320-E325 WeakPolarHBondContact CD1-O 3.36Å; F320-E325 HydrophobicContact CE1-CB 4.15Å; F320-E325 PolarHBondContact O-N 2.7Å
321	E	95.7	Very high	93.6	Very high	31 Å²	31	45.7 Å²	45.7	15%	0.145	26%	0.258	C	S	.	.	H	α-helix	trans	-69.6	-31.3	-179	-60	92.5	158.8	0	0	113.4	K315 M317 A318 Q327	K315-E321 WeakPolarHBondContact CE-OE1 3.47Å; K315-E321 IonicContact NZ-OE1 3.19Å; K315-E321 PolarHBondContact NZ-OE1 3.4Å; M317-E321 HydrophobicContact CB-CB 4.45Å; M317-E321 HydrophobicContact CE-CB 3.74Å; M317-E321 HydrophobicContact CE-CG 4.03Å; M317-E321 HydrophobicContact SD-CB 4.07Å; M317-E321 HydrophobicContact SD-CG 3.89Å; A318-E321 PolarHBondContact N-OE2 3.22Å; A318-E321 CarbonylContact O-C 3.39Å; A318-E321 PolarHBondContact O-N 2.8Å; E321-Q327 HydrophobicContact CG-CB 4.21Å
322	L	95.1	Very high	94	Very high	130 Å²	130	44.7 Å²	44.7	68%	0.681	25%	0.25	S	S	*	.	H	α-helix	trans	-82.5	-25.2	178.9	-66.5	177.2	0	0	0	113.1	A318 F320	A318-L322 WeakPolarHBondContact O-CB 3.27Å; A318-L322 VanDerWaalsContact O-CG 3.29Å; A318-L322 WeakPolarHBondContact O-CG 3.47Å; A318-L322 PolarHBondContact O-N 3.25Å; F320-L322 PolarHBondContact O-N 3.16Å
323	L	96.6	Very high	94.4	Very high	149 Å²	149	43.7 Å²	43.7	78%	0.78	24%	0.243	S	C	*	.	H	α-helix	trans	-109.6	-15.7	-175.2	-62.2	174.5	0	0	0	113.9	G319 F320	G319-L323 WeakPolarHBondContact O-CB 3.35Å; G319-L323 WeakPolarHBondContact O-CG 3.44Å; G319-L323 PolarHBondContact O-N 3.27Å; F320-L323 PolarHBondContact O-N 2.91Å
324	C	96.6	Very high	94.7	Very high	91 Å²	91	45.7 Å²	45.7	62%	0.615	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.9	-83.3	-172.5	-60.6	0	0	0	0	113.2	F320	F320-C324 HydrophobicContact CD1-CB 4.13Å; F320-C324 HydrophobicContact CD2-CB 4.27Å; F320-C324 HydrophobicContact CE1-CB 3.82Å; F320-C324 HydrophobicContact CE2-CB 3.99Å; F320-C324 HydrophobicContact CG-CB 4.34Å; F320-C324 HydrophobicContact CZ-CB 3.76Å; F320-C324 WeakPolarHBondContact O-CA 3.39Å; F320-C324 WeakPolarHBondContact O-CB 3.42Å; F320-C324 PolarHBondContact O-N 2.96Å
325	E	95.9	Very high	95	Very high	31 Å²	31	43.8 Å²	43.8	15%	0.145	25%	0.247	C	C	.	.			trans	-148.6	138.2	-172	-170.6	171.2	108.4	0	0	109.9	R9 W18 I20 F320 Q327	R9-E325 IonicContact CZ-OE1 2.76Å; R9-E325 IonicContact CZ-OE2 3.34Å; R9-E325 IonicContact NE-OE1 3.23Å; R9-E325 PolarHBondContact NE-OE1 3.39Å; R9-E325 IonicContact NE-OE2 2.77Å; R9-E325 PolarHBondContact NE-OE2 2.9Å; R9-E325 IonicContact NH2-OE1 3.84Å; R9-E325 IonicContact NH2-OE2 2.72Å; R9-E325 PolarHBondContact NH2-OE2 3.22Å; W18-E325 HydrophobicContact CB-CG 4.47Å; W18-E325 WeakPolarHBondContact CB-OE2 3.38Å; W18-E325 WeakPolarHBondContact O-CG 3.17Å; I20-E325 HydrophobicContact CD1-CB 4.35Å; I20-E325 HydrophobicContact CG1-CB 4.48Å; I20-E325 HydrophobicContact CG1-CG 4.18Å; I20-E325 WeakPolarHBondContact CG1-OE1 3.19Å; F320-E325 WeakPolarHBondContact CD1-O 3.36Å; F320-E325 HydrophobicContact CE1-CB 4.15Å; F320-E325 PolarHBondContact O-N 2.7Å; E325-Q327 PolarHBondContact O-N 2.88Å
326	P	97.2	Very high	95.2	Very high	24 Å²	24	43.2 Å²	43.2	16%	0.156	25%	0.245	C	C	.	.			trans	-58.6	139.6	175.8	24.1	-35.2	0	0	0	111.8	W18 V19 I20 V229 M317	W18-P326 WeakPolarHBondContact O-CG 3.47Å; V19-P326 HydrophobicContact CG2-CG 4.13Å; I20-P326 PolarHBondContact N-O 3.18Å; V229-P326 HydrophobicContact CG1-CB 3.71Å; V229-P326 HydrophobicContact CG2-CB 3.95Å; V229-P326 HydrophobicContact CG2-CG 4.21Å; M317-P326 HydrophobicContact CE-CB 3.91Å
327	Q	95.8	Very high	95.4	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.028	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	136.9	-178.9	-178.1	-85.2	-43.2	0	0	111.2	I20 R25 K315 E321 E325 D329	I20-Q327 HydrophobicContact CB-CB 4.11Å; I20-Q327 HydrophobicContact CB-CG 4Å; I20-Q327 HydrophobicContact CG2-CG 4.05Å; I20-Q327 CarbonylContact O-C 3.49Å; I20-Q327 WeakPolarHBondContact O-CA 3.47Å; R25-Q327 VanDerWaalsContact CD-NE2 3.35Å; K315-Q327 VanDerWaalsContact CE-O 3.24Å; K315-Q327 WeakPolarHBondContact CE-O 3.45Å; K315-Q327 PolarHBondContact NZ-O 2.92Å; E321-Q327 HydrophobicContact CG-CB 4.21Å; E325-Q327 PolarHBondContact O-N 2.88Å; Q327-D329 PolarHBondContact NE2-OD1 3.31Å; Q327-D329 PolarHBondContact OE1-OD1 2.88Å
328	R	95.6	Very high	95.6	Very high	3 Å²	3	44.6 Å²	44.6	1%	0.011	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	142	175.4	67.9	-175.5	-73.1	119.6	9.2	113.1	V19 I20 V21 A22 A228 V229 W230 P231 L330	V19-R328 HydrophobicContact CG1-CG 4.27Å; I20-R328 PolarHBondContact O-N 3Å; V21-R328 HydrophobicContact CB-CG 4.36Å; V21-R328 HydrophobicContact CG1-CG 4.31Å; V21-R328 HydrophobicContact CG2-CG 4.04Å; A22-R328 PolarHBondContact N-O 3.04Å; A228-R328 WeakPolarHBondContact O-CD 2.9Å; A228-R328 PolarHBondContact O-NH1 2.96Å; V229-R328 WeakPolarHBondContact O-CB 3.4Å; W230-R328 PolarHBondContact O-NH1 3.44Å; P231-R328 PolarHBondContact O-NH2 3.24Å; R328-L330 PolarHBondContact NE-O 3.1Å; R328-L330 PolarHBondContact NH2-O 3.25Å
329	D	91.3	Very high	95.8	Very high	14 Å²	14	42.7 Å²	42.7	8%	0.075	24%	0.24	C	C	.	.	S	Bend	trans	-92	-18.4	-175.8	-54.3	-51.1	0	0	0	112.7	P23 R25 L26 L308 K315 Q327	P23-D329 VanDerWaalsContact CA-O 3.28Å; P23-D329 WeakPolarHBondContact CA-O 3.37Å; R25-D329 HydrophobicContact CB-CB 4.1Å; R25-D329 WeakPolarHBondContact CB-OD1 3.21Å; R25-D329 WeakPolarHBondContact CD-OD1 3.48Å; R25-D329 IonicContact CZ-OD1 3.31Å; R25-D329 IonicContact NE-OD1 3.3Å; R25-D329 PolarHBondContact NE-OD1 2.94Å; L26-D329 WeakPolarHBondContact CD1-O 3.32Å; L26-D329 HydrophobicContact CD2-CB 4.03Å; L26-D329 HydrophobicContact CG-CB 4.01Å; L26-D329 VanDerWaalsContact CG-O 3.31Å; L26-D329 WeakPolarHBondContact CG-O 3.26Å; L308-D329 HydrophobicContact CD2-CB 4.48Å; K315-D329 IonicContact NZ-OD2 2.85Å; Q327-D329 PolarHBondContact NE2-OD1 3.31Å; Q327-D329 PolarHBondContact OE1-OD1 2.88Å
330	L	91.4	Very high	95.8	Very high	14 Å²	14	44.9 Å²	44.9	7%	0.073	23%	0.233	C	C	.	.	S	Bend	trans	-116.1	136.4	-177.6	-179.2	63.2	0	0	0	109.5	L26 F232 R328 T334 A335	L26-L330 HydrophobicContact CD1-CB 4.05Å; L26-L330 HydrophobicContact CD1-CD1 3.7Å; L26-L330 HydrophobicContact CD1-CG 4.48Å; F232-L330 HydrophobicContact CD1-CD2 4.44Å; F232-L330 HydrophobicContact CE1-CD2 3.84Å; F232-L330 HydrophobicContact CZ-CD2 3.94Å; R328-L330 PolarHBondContact NE-O 3.1Å; R328-L330 PolarHBondContact NH2-O 3.25Å; L330-T334 HydrophobicContact CD1-CG2 3.58Å; L330-A335 HydrophobicContact CD2-CB 3.64Å; L330-A335 HydrophobicContact CG-CB 4.08Å
331	T	94.9	Very high	95.9	Very high	19 Å²	19	42.4 Å²	42.4	12%	0.117	23%	0.233	C	C	.	.			trans	-68.9	148.6	175.9	77.2	0	0	0	0	111.3	V21 P23 E333 T334 A335	V21-T331 HydrophobicContact CG1-CG2 4.15Å; P23-T331 HydrophobicContact CB-CG2 3.99Å; P23-T331 HydrophobicContact CG-CG2 4.34Å; T331-E333 PolarHBondContact O-N 2.82Å; T331-T334 PolarHBondContact O-N 3.25Å; T331-T334 WeakPolarHBondContact OG1-CB 3.45Å; T331-T334 PolarHBondContact OG1-N 3.47Å; T331-T334 PolarHBondContact OG1-OG1 3.41Å; T331-A335 WeakPolarHBondContact O-CB 3.46Å; T331-A335 PolarHBondContact O-N 3.43Å
332	P	97.1	Very high	95.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-54.2	-37.6	172.5	-30.9	39.1	0	0	0	113.7	R212 V224 A228 A335 A336	R212-P332 HydrophobicContact CG-CB 4.26Å; V224-P332 HydrophobicContact CG1-CB 3.82Å; A228-P332 HydrophobicContact CB-CG 4.41Å; P332-A335 PolarHBondContact O-N 3.43Å; P332-A336 WeakPolarHBondContact O-CB 3.39Å; P332-A336 PolarHBondContact O-N 2.64Å
333	E	96.7	Very high	94.7	Very high	11 Å²	11	42.9 Å²	42.9	5%	0.051	23%	0.232	C	C	.	.	H	α-helix	trans	-64.8	-48.2	178.4	-65.4	70.9	-155.4	0	0	111.8	N2 R10 R211 R212 T331 A335 A336 E337	N2-E333 PolarHBondContact OD1-OE2 3.37Å; R10-E333 IonicContact CZ-OE1 3.35Å; R10-E333 IonicContact CZ-OE2 3.84Å; R10-E333 IonicContact NH1-OE1 2.95Å; R10-E333 PolarHBondContact NH1-OE1 3.04Å; R10-E333 IonicContact NH1-OE2 3.33Å; R10-E333 PolarHBondContact NH1-OE2 3.41Å; R10-E333 IonicContact NH2-OE1 2.79Å; R10-E333 IonicContact NH2-OE2 3.24Å; R10-E333 PolarHBondContact NH2-OE2 3.29Å; R211-E333 HydrophobicContact CB-CG 4.41Å; R212-E333 WeakPolarHBondContact CD-OE1 3.49Å; R212-E333 HydrophobicContact CG-CG 4.12Å; R212-E333 IonicContact CZ-OE1 2.72Å; R212-E333 IonicContact NE-OE1 3.76Å; R212-E333 IonicContact NH1-OE1 3.57Å; R212-E333 PolarHBondContact NH1-OE1 2.83Å; T331-E333 PolarHBondContact O-N 2.82Å; E333-A335 VanDerWaalsContact C-N 3.35Å; E333-A336 PolarHBondContact O-N 3.41Å; E333-E337 PolarHBondContact O-N 2.96Å
334	T	95.1	Very high	93.3	Very high	54 Å²	54	42.3 Å²	42.3	33%	0.331	25%	0.249	S	C	.	.	H	α-helix	trans	-65.5	-38.9	177.1	-49.8	0	0	0	0	111.3	L330 T331 A336 E337 C338	L330-T334 HydrophobicContact CD1-CG2 3.58Å; T331-T334 PolarHBondContact O-N 3.25Å; T331-T334 WeakPolarHBondContact OG1-CB 3.45Å; T331-T334 PolarHBondContact OG1-N 3.47Å; T331-T334 PolarHBondContact OG1-OG1 3.41Å; T334-A336 PolarHBondContact O-N 3.21Å; T334-E337 WeakPolarHBondContact O-CB 3.37Å; T334-E337 PolarHBondContact O-N 3.26Å; T334-C338 PolarHBondContact O-N 2.88Å; T334-C338 PolarHBondContact O-SG 2.61Å
335	A	96.9	Very high	93.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.3	-45	175.5	0	0	0	0	0	111.8	V224 P231 F232 L330 T331 P332 E333 C338 L339	V224-A335 HydrophobicContact CG1-CB 4.13Å; V224-A335 HydrophobicContact CG2-CB 4.26Å; P231-A335 VanDerWaalsContact O-CB 3.26Å; P231-A335 WeakPolarHBondContact O-CB 3.45Å; F232-A335 HydrophobicContact CD1-CB 4.07Å; F232-A335 HydrophobicContact CE1-CB 4.39Å; L330-A335 HydrophobicContact CD2-CB 3.64Å; L330-A335 HydrophobicContact CG-CB 4.08Å; T331-A335 WeakPolarHBondContact O-CB 3.46Å; T331-A335 PolarHBondContact O-N 3.43Å; P332-A335 PolarHBondContact O-N 3.43Å; E333-A335 VanDerWaalsContact C-N 3.35Å; A335-C338 PolarHBondContact O-N 2.81Å; A335-L339 VanDerWaalsContact O-CG 3.31Å; A335-L339 WeakPolarHBondContact O-CG 2.92Å; A335-L339 PolarHBondContact O-N 2.74Å
336	A	97.8	Very high	93	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.3	-39.9	176.4	0	0	0	0	0	112.1	R212 V214 V224 P332 E333 T334 L339 R340	R212-A336 WeakPolarHBondContact O-CB 3.41Å; V214-A336 HydrophobicContact CG2-CB 4.42Å; V224-A336 HydrophobicContact CB-CB 4.14Å; V224-A336 HydrophobicContact CG2-CB 3.79Å; P332-A336 WeakPolarHBondContact O-CB 3.39Å; P332-A336 PolarHBondContact O-N 2.64Å; E333-A336 PolarHBondContact O-N 3.41Å; T334-A336 PolarHBondContact O-N 3.21Å; A336-L339 PolarHBondContact O-N 3.23Å; A336-R340 WeakPolarHBondContact O-CG 3.48Å; A336-R340 PolarHBondContact O-N 3.41Å
337	E	96.7	Very high	92.8	Very high	117 Å²	117	41.3 Å²	41.3	55%	0.547	24%	0.24	S	C	.	.	H	α-helix	trans	-60.1	-47.8	174.1	-176	177.2	-165.8	0	0	112.3	E333 T334 L339 R340 A341	E333-E337 PolarHBondContact O-N 2.96Å; T334-E337 WeakPolarHBondContact O-CB 3.37Å; T334-E337 PolarHBondContact O-N 3.26Å; E337-L339 VanDerWaalsContact C-N 3.33Å; E337-L339 PolarHBondContact O-N 3.33Å; E337-R340 PolarHBondContact O-N 3.25Å; E337-A341 WeakPolarHBondContact O-CB 3.41Å; E337-A341 PolarHBondContact O-N 3.12Å
338	C	96.2	Very high	92.6	Very high	42 Å²	42	43.4 Å²	43.4	28%	0.284	25%	0.252	S	S	.	.	H	α-helix	trans	-57.7	-43.9	174.7	-70.2	0	0	0	0	112.3	F232 M270 T334 A335 A341	F232-C338 HydrophobicContact CE1-CB 3.9Å; M270-C338 HydrophobicContact CE-CB 3.92Å; M270-C338 HydrophobicContact SD-CB 4.07Å; T334-C338 PolarHBondContact O-N 2.88Å; T334-C338 PolarHBondContact O-SG 2.61Å; A335-C338 PolarHBondContact O-N 2.81Å; C338-A341 PolarHBondContact O-N 3.41Å
339	L	97.6	Very high	92.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.2	-41.4	179	-69.4	170.2	0	0	0	112	V214 V224 F232 T234 I266 Y267 M270 A335 A336 E337 A341 V342	V214-L339 HydrophobicContact CG1-CB 3.98Å; V214-L339 HydrophobicContact CG1-CD1 4.41Å; V214-L339 HydrophobicContact CG2-CB 4.27Å; V214-L339 HydrophobicContact CG2-CD1 3.76Å; V224-L339 HydrophobicContact CG2-CD1 3.81Å; F232-L339 HydrophobicContact CB-CD1 4.34Å; F232-L339 HydrophobicContact CB-CD2 4.35Å; F232-L339 HydrophobicContact CD1-CD1 4.25Å; F232-L339 HydrophobicContact CD1-CD2 4Å; F232-L339 HydrophobicContact CD1-CG 3.9Å; F232-L339 HydrophobicContact CG-CD2 4.4Å; T234-L339 HydrophobicContact CG2-CD1 4.03Å; I266-L339 HydrophobicContact CG2-CB 3.96Å; I266-L339 HydrophobicContact CG2-CD2 3.83Å; I266-L339 WeakPolarHBondContact CG2-O 3.49Å; Y267-L339 HydrophobicContact CD1-CD2 3.75Å; Y267-L339 HydrophobicContact CE1-CD1 4.29Å; Y267-L339 HydrophobicContact CE1-CD2 3.84Å; M270-L339 HydrophobicContact SD-CD2 4.44Å; A335-L339 VanDerWaalsContact O-CG 3.31Å; A335-L339 WeakPolarHBondContact O-CG 2.92Å; A335-L339 PolarHBondContact O-N 2.74Å; A336-L339 PolarHBondContact O-N 3.23Å; E337-L339 VanDerWaalsContact C-N 3.33Å; E337-L339 PolarHBondContact O-N 3.33Å; L339-A341 VanDerWaalsContact C-N 3.27Å; L339-A341 PolarHBondContact O-N 3.49Å; L339-V342 PolarHBondContact O-N 3.19Å
340	R	97.1	Very high	92.5	Very high	96 Å²	96	48 Å²	48	36%	0.362	28%	0.28	S	S	.	.	H	α-helix	trans	-64.3	-32.8	175.4	-71.9	-170	-58.2	-89.7	-1.1	112.6	R211 T213 A336 E337 V342	R211-R340 PolarHBondContact O-NH1 3.09Å; T213-R340 VanDerWaalsContact O-CD 3.3Å; T213-R340 WeakPolarHBondContact O-CD 3.4Å; T213-R340 PolarHBondContact O-NH1 3.38Å; A336-R340 WeakPolarHBondContact O-CG 3.48Å; A336-R340 PolarHBondContact O-N 3.41Å; E337-R340 PolarHBondContact O-N 3.25Å; R340-V342 PolarHBondContact O-N 3.35Å
341	A	96.2	Very high	92.5	Very high	59 Å²	59	50.4 Å²	50.4	49%	0.488	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-8.9	-177.8	0	0	0	0	0	114.4	E337 C338 L339 F343	E337-A341 WeakPolarHBondContact O-CB 3.41Å; E337-A341 PolarHBondContact O-N 3.12Å; C338-A341 PolarHBondContact O-N 3.41Å; L339-A341 VanDerWaalsContact C-N 3.27Å; L339-A341 PolarHBondContact O-N 3.49Å; A341-F343 VanDerWaalsContact C-N 3.29Å; A341-F343 PolarHBondContact O-N 2.7Å
342	V	93	Very high	92.4	Very high	36 Å²	36	52.8 Å²	52.8	22%	0.218	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-29.8	-178.5	176.4	0	0	0	0	112.9	I266 M270 L339 R340	I266-V342 HydrophobicContact CG2-CB 4.26Å; I266-V342 HydrophobicContact CG2-CG2 4.14Å; M270-V342 HydrophobicContact CB-CG2 4.23Å; M270-V342 HydrophobicContact SD-CG2 3.99Å; L339-V342 PolarHBondContact O-N 3.19Å; R340-V342 PolarHBondContact O-N 3.35Å
343	F	73.3	Confident	92	Very high	134 Å²	134	57.3 Å²	57.3	59%	0.588	33%	0.334	S	S	*	.			trans	-124.1	5.9	-179.9	-62.8	-58.2	0	0	0	114.1	R265 I266 A341	R265-F343 HydrophobicContact CB-CE2 4.16Å; R265-F343 HydrophobicContact CB-CZ 3.97Å; I266-F343 HydrophobicContact CB-CE2 4.18Å; I266-F343 HydrophobicContact CG1-CD2 3.62Å; I266-F343 HydrophobicContact CG1-CE2 3.45Å; I266-F343 VanDerWaalsContact CG1-CE2 3.45Å; A341-F343 VanDerWaalsContact C-N 3.29Å; A341-F343 PolarHBondContact O-N 2.7Å
344	A	67	Low	91.5	Very high	138 Å²	138	61.5 Å²	61.5	100%	1.141	36%	0.36	S	S	*	.			trans	-73.5	0	167.6	0	0	0	0	0	109.4

Retrieved 344 of 344 residues in 169.8 ms (Link to these results)

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