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Nucleoside diphosphate kinase

Catalyzes the phosphorylation of ribonucleosides and deoxyribonucleoside diphosphates, other than ATP, into the corresponding triphosphates with ATP as the major phosphate donor. The ATP gamma phosphate is transferred to the nucleoside diphosphate beta phosphate via a ping-pong mechanism, using a phosphorylated active-site intermediate. Through the catalyzed exchange of gamma-phosphate between di- and triphosphonucleosides participates in regulation of intracellular nucleotide homeostasis. Inhibits granulocyte differentiation. May be required for ciliary function during renal development. Independently of its kinase activity, facilitates mitochondrial tethering prior to membrane fusion through its direct membrane-binding and hexamerization. Implicated in repair of both single- and double-stranded breaks in DNA through its association with the ribonucleotide reductase complex (RNR complex) via its interaction with the histone acetyltransferase KAT5, this interaction enables recruitment of NME3 at DNA damage sites where it plays a role in the repair of DNA, independently of its kinase activity.

AlphaFold DB , UniProt , Accession Q99NI1, Species RAT (Rattus norvegicus, Rat), Gene Nme3, Length 169 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	44.4	Very low	46.9	Very low	208 Å²	208	106.5 Å²	106.5	100%	1.025	58%	0.575	S	S	*	*				0	-41.2	0	-76.8	-152.2	-50.9	0	0	113.5	C3 L4 V5	M1-C3 PolarHBondContact O-N 2.87Å; M1-L4 PolarHBondContact O-N 3.36Å; M1-V5 PolarHBondContact O-N 3.39Å
2	I	45.4	Very low	47	Very low	140 Å²	140	107.5 Å²	107.5	72%	0.718	58%	0.579	S	S	*	*	H	α-helix	trans	-61.8	-39.7	-179.8	-62.6	168.5	0	0	0	112.7	L4 V5 L6	I2-L4 VanDerWaalsContact C-N 3.34Å; I2-L4 PolarHBondContact O-N 3.44Å; I2-V5 PolarHBondContact O-N 3.22Å; I2-L6 HydrophobicContact CG2-CD1 4.23Å; I2-L6 PolarHBondContact O-N 3.37Å
3	C	45.2	Very low	47.2	Very low	73 Å²	73	108.8 Å²	108.8	49%	0.493	58%	0.576	S	S	.	*	H	α-helix	trans	-64.8	-30.5	175.9	-95.5	0	0	0	0	114.4	M1 T7	M1-C3 PolarHBondContact O-N 2.87Å; C3-T7 PolarHBondContact O-N 3.43Å; C3-T7 PolarHBondContact O-OG1 3.27Å
4	L	44.8	Very low	47.2	Very low	125 Å²	125	109.5 Å²	109.5	65%	0.654	59%	0.59	S	S	*	*	H	α-helix	trans	-75.3	-29.3	-179.5	-154.1	83.5	0	0	0	111.6	M1 I2 T7 I8	M1-L4 PolarHBondContact O-N 3.36Å; I2-L4 VanDerWaalsContact C-N 3.34Å; I2-L4 PolarHBondContact O-N 3.44Å; L4-T7 PolarHBondContact O-OG1 3.16Å; L4-I8 WeakPolarHBondContact O-CD1 3.37Å; L4-I8 WeakPolarHBondContact O-CG1 3.43Å
5	V	46	Very low	47.3	Very low	81 Å²	81	107.5 Å²	107.5	49%	0.491	59%	0.588	S	S	.	*	H	α-helix	trans	-75.2	-36.9	176.8	178.1	0	0	0	0	110.6	M1 I2 I8 F9	M1-V5 PolarHBondContact O-N 3.39Å; I2-V5 PolarHBondContact O-N 3.22Å; V5-I8 PolarHBondContact O-N 3.32Å; V5-F9 HydrophobicContact CG1-CD2 3.96Å; V5-F9 HydrophobicContact CG1-CE2 4.03Å; V5-F9 WeakPolarHBondContact O-CD2 3.41Å; V5-F9 PolarHBondContact O-N 3.1Å; V5-F9 VanDerWaalsContact O-N 3.16Å
6	L	48.6	Very low	48.1	Very low	110 Å²	110	103.2 Å²	103.2	58%	0.576	57%	0.571	S	S	*	*	H	α-helix	trans	-67.7	-35.1	177.8	-74	166.1	0	0	0	113.4	I2 F9 A10	I2-L6 HydrophobicContact CG2-CD1 4.23Å; I2-L6 PolarHBondContact O-N 3.37Å; L6-F9 PolarHBondContact O-N 3.37Å; L6-A10 PolarHBondContact O-N 2.92Å
7	T	50.5	Low	49.3	Very low	68 Å²	68	100.6 Å²	100.6	42%	0.417	55%	0.551	S	S	.	*	H	α-helix	trans	-65.7	-38.1	173.8	7.7	0	0	0	0	112.2	C3 L4 A10	C3-T7 PolarHBondContact O-N 3.43Å; C3-T7 PolarHBondContact O-OG1 3.27Å; L4-T7 PolarHBondContact O-OG1 3.16Å; T7-A10 PolarHBondContact O-N 2.63Å
8	I	47.3	Very low	51	Low	102 Å²	102	98.7 Å²	98.7	52%	0.523	55%	0.546	S	S	.	.	H	α-helix	trans	-67	-37.3	176.9	-65.3	167.1	0	0	0	111.2	L4 V5 N11	L4-I8 WeakPolarHBondContact O-CD1 3.37Å; L4-I8 WeakPolarHBondContact O-CG1 3.43Å; V5-I8 PolarHBondContact O-N 3.32Å; I8-N11 PolarHBondContact O-N 3.34Å
9	F	45.5	Very low	53.2	Low	114 Å²	114	95.6 Å²	95.6	50%	0.5	54%	0.539	S	S	.	.	H	α-helix	trans	-74.1	-31	177.2	-90.7	-81.8	0	0	0	113.9	V5 L6 N11 L12 F13	V5-F9 HydrophobicContact CG1-CD2 3.96Å; V5-F9 HydrophobicContact CG1-CE2 4.03Å; V5-F9 WeakPolarHBondContact O-CD2 3.41Å; V5-F9 PolarHBondContact O-N 3.1Å; V5-F9 VanDerWaalsContact O-N 3.16Å; L6-F9 PolarHBondContact O-N 3.37Å; F9-N11 PolarHBondContact O-N 3.5Å; F9-L12 PolarHBondContact O-N 2.81Å; F9-L12 VanDerWaalsContact O-N 3.13Å; F9-F13 HydrophobicContact CD1-CD2 4.25Å; F9-F13 HydrophobicContact CD1-CE2 4.02Å; F9-F13 HydrophobicContact CE1-CE2 4.36Å; F9-F13 PolarHBondContact O-N 3.04Å
10	A	50.5	Low	55.3	Low	43 Å²	43	93.9 Å²	93.9	36%	0.355	53%	0.53	S	S	.	.	H	α-helix	trans	-61.4	-30.3	174.2	0	0	0	0	0	112.5	L6 T7 L12 A16	L6-A10 PolarHBondContact O-N 2.92Å; T7-A10 PolarHBondContact O-N 2.63Å; A10-L12 VanDerWaalsContact C-N 3.31Å; A10-L12 PolarHBondContact O-N 3.39Å; A10-A16 HydrophobicContact CB-CB 3.84Å
11	N	47.9	Very low	57.2	Low	107 Å²	107	93.1 Å²	93.1	57%	0.572	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-14	177.9	-69.2	-13.1	0	0	0	113.7	I8 F9	I8-N11 PolarHBondContact O-N 3.34Å; F9-N11 PolarHBondContact O-N 3.5Å
12	L	48.5	Very low	59.7	Low	119 Å²	119	84.2 Å²	84.2	62%	0.623	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-17.3	178.3	-77.6	160.7	0	0	0	113.2	F9 A10	F9-L12 PolarHBondContact O-N 2.81Å; F9-L12 VanDerWaalsContact O-N 3.13Å; A10-L12 VanDerWaalsContact C-N 3.31Å; A10-L12 PolarHBondContact O-N 3.39Å
13	F	49.2	Very low	62.3	Low	124 Å²	124	78.9 Å²	78.9	54%	0.544	45%	0.452	S	S	.	.			trans	-133	110.5	-178.8	-65.8	-82.1	0	0	0	110.5	F9 S15 A16	F9-F13 HydrophobicContact CD1-CD2 4.25Å; F9-F13 HydrophobicContact CD1-CE2 4.02Å; F9-F13 HydrophobicContact CE1-CE2 4.36Å; F9-F13 PolarHBondContact O-N 3.04Å; F13-S15 PolarHBondContact O-N 3.46Å; F13-A16 PolarHBondContact O-N 2.99Å
14	P	46.9	Very low	64.8	Low	119 Å²	119	75.4 Å²	75.4	77%	0.773	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-56	-6.3	172.4	-23.5	32.7	0	0	0	114.9	A16	P14-A16 VanDerWaalsContact C-N 3.25Å; P14-A16 PolarHBondContact O-N 3.28Å
15	S	49.3	Very low	67.4	Low	80 Å²	80	69.4 Å²	69.4	56%	0.559	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-71.6	-4.9	178	-175.3	0	0	0	0	114.9	F13 Y17 S18	F13-S15 PolarHBondContact O-N 3.46Å; S15-Y17 PolarHBondContact O-N 3.16Å; S15-Y17 VanDerWaalsContact O-N 3.07Å; S15-S18 PolarHBondContact O-N 3.25Å; S15-S18 PolarHBondContact O-OG 2.82Å
16	A	59	Low	69.9	Low	38 Å²	38	65.6 Å²	65.6	31%	0.314	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-62.5	-18.3	-172.9	0	0	0	0	0	115.2	A10 F13 P14	A10-A16 HydrophobicContact CB-CB 3.84Å; F13-A16 PolarHBondContact O-N 2.99Å; P14-A16 VanDerWaalsContact C-N 3.25Å; P14-A16 PolarHBondContact O-N 3.28Å
17	Y	68.7	Low	72.3	Confident	60 Å²	60	60.4 Å²	60.4	24%	0.235	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-109.9	52.4	178	-59.2	-43.4	0	0	0	112.9	S15 N21 R23 Q144	S15-Y17 PolarHBondContact O-N 3.16Å; S15-Y17 VanDerWaalsContact O-N 3.07Å; Y17-N21 WeakPolarHBondContact CD1-O 3.4Å; Y17-R23 HydrophobicContact CD1-CB 4.07Å; Y17-R23 HydrophobicContact CD1-CG 3.66Å; Y17-R23 HydrophobicContact CE1-CB 4.24Å; Y17-R23 HydrophobicContact CE1-CG 3.72Å; Y17-R23 HydrophobicContact CG-CB 4.49Å; Y17-R23 PolarHBondContact OH-NH1 2.9Å; Y17-Q144 HydrophobicContact CD2-CG 3.95Å; Y17-Q144 HydrophobicContact CE2-CG 4.45Å
18	S	80.5	Confident	74.6	Confident	66 Å²	66	57.1 Å²	57.1	46%	0.462	33%	0.327	S	S	.	.	S	Bend	trans	-116.1	153	176.3	58	0	0	0	0	112.1	S15 V20 N21	S15-S18 PolarHBondContact O-N 3.25Å; S15-S18 PolarHBondContact O-OG 2.82Å; S18-V20 PolarHBondContact O-N 2.88Å; S18-N21 PolarHBondContact O-N 3.43Å
19	G	92	Very high	77.1	Confident	39 Å²	39	53 Å²	53	40%	0.402	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	56.6	-132	-180	0	0	0	0	0	112.2	N21 E22 L98	G19-N21 PolarHBondContact O-N 3.28Å; G19-N21 VanDerWaalsContact O-N 3.09Å; G19-E22 WeakPolarHBondContact O-CB 3.43Å; G19-E22 PolarHBondContact O-N 2.85Å; G19-E22 VanDerWaalsContact O-N 3.07Å; G19-L98 WeakPolarHBondContact O-CA 3.25Å
20	V	94.9	Very high	79.6	Confident	61 Å²	61	47.8 Å²	47.8	37%	0.37	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-64.5	-11.4	178.9	-60	0	0	0	0	114.2	S18 G97 L98 Y168	S18-V20 PolarHBondContact O-N 2.88Å; V20-G97 WeakPolarHBondContact O-CA 3.31Å; V20-L98 HydrophobicContact CG1-CB 4.3Å; V20-Y168 HydrophobicContact CB-CD2 4.45Å; V20-Y168 HydrophobicContact CB-CE2 4.39Å; V20-Y168 HydrophobicContact CG1-CD1 3.79Å; V20-Y168 HydrophobicContact CG1-CD2 4.01Å; V20-Y168 HydrophobicContact CG1-CE1 4.07Å; V20-Y168 HydrophobicContact CG1-CE2 4.25Å; V20-Y168 HydrophobicContact CG1-CG 3.76Å
21	N	95.3	Very high	81.9	Confident	79 Å²	79	46.5 Å²	46.5	42%	0.422	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-97.9	0.4	176.6	-63.5	-52.9	0	0	0	113.3	Y17 S18 G19 Q96	Y17-N21 WeakPolarHBondContact CD1-O 3.4Å; S18-N21 PolarHBondContact O-N 3.43Å; G19-N21 PolarHBondContact O-N 3.28Å; G19-N21 VanDerWaalsContact O-N 3.09Å; N21-Q96 PolarHBondContact OD1-NE2 2.96Å; N21-Q96 VanDerWaalsContact OD1-NE2 3.09Å
22	E	98.1	Very high	84.3	Confident	21 Å²	21	41.4 Å²	41.4	10%	0.098	24%	0.243	C	C	.	.			trans	-53	141.7	171.4	-175.2	-176.2	108.4	0	0	110.4	G19 Q96 G97 D99 V100 V101	G19-E22 WeakPolarHBondContact O-CB 3.43Å; G19-E22 PolarHBondContact O-N 2.85Å; G19-E22 VanDerWaalsContact O-N 3.07Å; E22-Q96 CarbonylContact O-C 3.48Å; E22-Q96 VanDerWaalsContact O-CA 3.25Å; E22-Q96 WeakPolarHBondContact O-CA 3.18Å; E22-Q96 WeakPolarHBondContact O-CG 3.33Å; E22-G97 PolarHBondContact O-N 3.37Å; E22-D99 WeakPolarHBondContact OE1-CA 3.32Å; E22-V100 HydrophobicContact CB-CG1 4.28Å; E22-V100 HydrophobicContact CG-CG1 4.03Å; E22-V100 VanDerWaalsContact O-CG1 3.28Å; E22-V100 WeakPolarHBondContact O-CG1 3.32Å; E22-V100 PolarHBondContact OE1-N 3.42Å; E22-V101 HydrophobicContact CG-CG2 4.21Å; E22-V101 WeakPolarHBondContact OE1-CB 3.39Å; E22-V101 WeakPolarHBondContact OE1-CG2 2.97Å; E22-V101 PolarHBondContact OE1-N 2.95Å
23	R	98.6	Very high	86.7	Confident	27 Å²	27	36.6 Å²	36.6	10%	0.102	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	148.8	178.7	-64.7	-171.3	-175.4	163.8	-8.3	111.5	Y17 V94 W95 Q96 A143 I147	Y17-R23 HydrophobicContact CD1-CB 4.07Å; Y17-R23 HydrophobicContact CD1-CG 3.66Å; Y17-R23 HydrophobicContact CE1-CB 4.24Å; Y17-R23 HydrophobicContact CE1-CG 3.72Å; Y17-R23 HydrophobicContact CG-CB 4.49Å; Y17-R23 PolarHBondContact OH-NH1 2.9Å; R23-V94 HydrophobicContact CB-CG1 4.02Å; R23-V94 HydrophobicContact CG-CG1 4.35Å; R23-W95 CarbonylContact C-O 3.6Å; R23-W95 VanDerWaalsContact CA-O 3.23Å; R23-W95 WeakPolarHBondContact CA-O 3.5Å; R23-Q96 HydrophobicContact CG-CB 3.93Å; R23-Q96 HydrophobicContact CG-CG 3.88Å; R23-A143 WeakPolarHBondContact O-CB 3.44Å; R23-I147 HydrophobicContact CB-CD1 3.63Å
24	T	98.8	Very high	89.1	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.1	172.3	-166.6	0	0	0	0	111	L26 V94 W95 V100	T24-L26 HydrophobicContact CG2-CD2 3.99Å; T24-L26 HydrophobicContact CG2-CG 4.09Å; T24-V94 WeakPolarHBondContact O-CA 3.36Å; T24-W95 HydrophobicContact CG2-CB 4.21Å; T24-W95 PolarHBondContact N-O 3.37Å; T24-W95 PolarHBondContact O-N 3.03Å; T24-W95 VanDerWaalsContact O-N 3.12Å; T24-V100 HydrophobicContact CG2-CG1 4.15Å; T24-V100 HydrophobicContact CG2-CG2 3.8Å
25	F	98.9	Very high	91.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.6	169.6	170.9	-96.1	0	0	0	109.9	A27 H68 A92 H135 G136 S137 E146 I147 W150 F151	F25-A27 HydrophobicContact CE1-CB 3.83Å; F25-A27 HydrophobicContact CZ-CB 3.77Å; F25-H68 AromaticContact CE1-CE1 3.85Å; F25-A92 HydrophobicContact CE2-CB 3.95Å; F25-A92 HydrophobicContact CZ-CB 4.33Å; F25-H135 AromaticContact CD1-CD2 3.7Å; F25-H135 AromaticContact CE1-CD2 3.69Å; F25-G136 WeakPolarHBondContact O-CA 3.31Å; F25-S137 WeakPolarHBondContact CB-OG 3.5Å; F25-S137 PolarHBondContact N-OG 3.41Å; F25-S137 PolarHBondContact O-N 3.37Å; F25-S137 PolarHBondContact O-OG 3.15Å; F25-E146 HydrophobicContact CB-CB 3.7Å; F25-E146 HydrophobicContact CD1-CB 3.86Å; F25-E146 HydrophobicContact CD1-CG 4.42Å; F25-E146 VanDerWaalsContact CD1-OE2 3.31Å; F25-E146 WeakPolarHBondContact CD1-OE2 3.41Å; F25-E146 HydrophobicContact CG-CB 3.85Å; F25-I147 HydrophobicContact CB-CG1 3.92Å; F25-W150 HydrophobicContact CD2-CB 4.1Å; F25-W150 HydrophobicContact CD2-CG 4.18Å; F25-W150 HydrophobicContact CE1-CD2 4.4Å; F25-W150 HydrophobicContact CE1-CG 4.39Å; F25-W150 AromaticContact CE1-NE1 3.93Å; F25-W150 HydrophobicContact CE2-CB 3.5Å; F25-W150 AromaticContact CE2-CD1 3.75Å; F25-W150 AromaticContact CE2-CD2 3.66Å; F25-W150 HydrophobicContact CE2-CD2 3.66Å; F25-W150 HydrophobicContact CE2-CE3 4.2Å; F25-W150 AromaticContact CE2-CG 3.33Å; F25-W150 HydrophobicContact CE2-CG 3.33Å; F25-W150 HydrophobicContact CZ-CB 4.16Å; F25-W150 AromaticContact CZ-CD1 3.6Å; F25-W150 AromaticContact CZ-CD2 3.38Å; F25-W150 HydrophobicContact CZ-CD2 3.38Å; F25-W150 AromaticContact CZ-CE2 3.49Å; F25-W150 VanDerWaalsContact CZ-CE2 3.49Å; F25-W150 AromaticContact CZ-CE3 3.97Å; F25-W150 HydrophobicContact CZ-CE3 3.97Å; F25-W150 AromaticContact CZ-CG 3.46Å; F25-W150 HydrophobicContact CZ-CG 3.46Å; F25-W150 VanDerWaalsContact CZ-CG 3.46Å; F25-W150 HydrophobicContact CZ-CZ2 4.14Å; F25-W150 AromaticContact CZ-NE1 3.6Å; F25-F151 HydrophobicContact CD2-CD2 4.49Å; F25-F151 HydrophobicContact CD2-CE2 4.09Å; F25-F151 AromaticContact CE2-CE2 4Å; F25-F151 HydrophobicContact CE2-CE2 4Å
26	L	98.9	Very high	93.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	147	172.1	-55.9	-172.6	0	0	0	110.2	T24 F45 M93 W95 I108 H135 G136	T24-L26 HydrophobicContact CG2-CD2 3.99Å; T24-L26 HydrophobicContact CG2-CG 4.09Å; L26-F45 HydrophobicContact CD1-CD1 3.83Å; L26-F45 HydrophobicContact CD1-CD2 3.96Å; L26-F45 HydrophobicContact CD1-CE1 3.38Å; L26-F45 HydrophobicContact CD1-CE2 3.53Å; L26-F45 HydrophobicContact CD1-CG 4.13Å; L26-F45 HydrophobicContact CD1-CZ 3.23Å; L26-M93 HydrophobicContact CB-CB 4.47Å; L26-M93 HydrophobicContact CB-CE 3.95Å; L26-M93 HydrophobicContact CD1-CE 4.48Å; L26-M93 PolarHBondContact N-O 2.62Å; L26-M93 PolarHBondContact O-N 3.2Å; L26-W95 HydrophobicContact CD1-CG 4.2Å; L26-I108 HydrophobicContact CD2-CD1 3.99Å; L26-H135 WeakPolarHBondContact CA-O 3.38Å; L26-G136 VanDerWaalsContact CD2-CA 3.44Å
27	A	98.9	Very high	95.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	122.3	172.8	0	0	0	0	0	112	F25 K29 V90 V91 I134 H135	F25-A27 HydrophobicContact CE1-CB 3.83Å; F25-A27 HydrophobicContact CZ-CB 3.77Å; A27-K29 PolarHBondContact O-N 3.17Å; A27-V90 HydrophobicContact CB-CG1 3.82Å; A27-V91 CarbonylContact C-O 3.56Å; A27-V91 VanDerWaalsContact CA-O 3.28Å; A27-V91 WeakPolarHBondContact CA-O 3.25Å; A27-I134 CarbonylContact O-C 3.53Å; A27-I134 WeakPolarHBondContact O-CA 3.38Å; A27-I134 WeakPolarHBondContact O-CG1 3.5Å; A27-H135 HydrophobicContact CB-CB 4.3Å; A27-H135 PolarHBondContact N-O 3.46Å; A27-H135 PolarHBondContact O-N 2.96Å
28	V	98.9	Very high	97.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	115.9	165.6	-172.6	0	0	0	0	107.8	V33 V38 I41 V90 V91 M93	V28-V33 HydrophobicContact CB-CG2 4.39Å; V28-V33 HydrophobicContact CG1-CG2 4.05Å; V28-V38 HydrophobicContact CG1-CG2 4.24Å; V28-I41 HydrophobicContact CB-CD1 4.45Å; V28-I41 HydrophobicContact CG1-CD1 3.82Å; V28-I41 HydrophobicContact CG2-CB 4.34Å; V28-I41 HydrophobicContact CG2-CD1 3.89Å; V28-I41 HydrophobicContact CG2-CG2 3.98Å; V28-V90 WeakPolarHBondContact O-CA 3.45Å; V28-V90 WeakPolarHBondContact O-CG1 3.32Å; V28-V91 HydrophobicContact CB-CB 4.04Å; V28-V91 HydrophobicContact CG2-CB 4.21Å; V28-V91 PolarHBondContact N-O 2.97Å; V28-V91 PolarHBondContact O-N 2.96Å; V28-M93 HydrophobicContact CG2-CE 3.87Å
29	K	98.9	Very high	98.1	Very high	16 Å²	16	38.8 Å²	38.8	7%	0.07	20%	0.203	C	C	.	.			trans	-70.9	168.2	-175.7	-62.4	-173.3	177.8	-179.1	0	111.3	A27 D31 G32 V33 Y84 M85 N132 V133 I134	A27-K29 PolarHBondContact O-N 3.17Å; K29-D31 VanDerWaalsContact C-N 3.27Å; K29-D31 WeakPolarHBondContact CB-OD1 3.45Å; K29-D31 PolarHBondContact O-N 2.95Å; K29-G32 PolarHBondContact O-N 3.09Å; K29-V33 PolarHBondContact O-N 3.43Å; K29-V33 VanDerWaalsContact O-N 3.1Å; K29-Y84 HydrophobicContact CD-CE1 4.2Å; K29-M85 HydrophobicContact CB-SD 3.97Å; K29-M85 HydrophobicContact CD-SD 3.75Å; K29-M85 HydrophobicContact CG-CE 4.07Å; K29-M85 HydrophobicContact CG-SD 3.6Å; K29-M85 VanDerWaalsContact CG-SD 3.6Å; K29-N132 PolarHBondContact NZ-OD1 2.85Å; K29-V133 WeakPolarHBondContact CB-O 3.47Å; K29-V133 PolarHBondContact N-O 3.31Å; K29-I134 WeakPolarHBondContact CE-O 3.26Å
30	P	98.9	Very high	98.4	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.026	19%	0.194	C	C	.	.	H	α-helix	trans	-56.7	-37.6	-176	-28.5	37.9	0	0	0	114.1	V33 Q34 M85 P89 V90	P30-V33 PolarHBondContact O-N 2.96Å; P30-Q34 WeakPolarHBondContact O-CB 3.15Å; P30-Q34 WeakPolarHBondContact O-CG 3.49Å; P30-Q34 PolarHBondContact O-N 3.31Å; P30-M85 WeakPolarHBondContact CG-O 3.44Å; P30-P89 WeakPolarHBondContact CA-O 3.11Å; P30-V90 HydrophobicContact CG-CG2 3.96Å
31	D	98.8	Very high	98.6	Very high	16 Å²	16	36.2 Å²	36.2	9%	0.086	18%	0.176	C	C	.	.	H	α-helix	trans	-63.1	-41.6	174.2	62.7	-29.2	0	0	0	112.8	K29 Q34 R35 Y84 K131 V133	K29-D31 VanDerWaalsContact C-N 3.27Å; K29-D31 WeakPolarHBondContact CB-OD1 3.45Å; K29-D31 PolarHBondContact O-N 2.95Å; D31-Q34 PolarHBondContact O-N 3.12Å; D31-R35 VanDerWaalsContact O-CB 3.25Å; D31-R35 WeakPolarHBondContact O-CB 3.4Å; D31-R35 WeakPolarHBondContact O-CD 3.02Å; D31-R35 WeakPolarHBondContact O-CG 3.31Å; D31-R35 PolarHBondContact O-N 3.47Å; D31-Y84 WeakPolarHBondContact CB-OH 3.37Å; D31-Y84 PolarHBondContact OD1-OH 2.81Å; D31-Y84 PolarHBondContact OD2-OH 2.98Å; D31-K131 HydrophobicContact CB-CD 4.15Å; D31-K131 VanDerWaalsContact OD2-CA 3.26Å; D31-K131 WeakPolarHBondContact OD2-CA 3.42Å; D31-V133 WeakPolarHBondContact OD1-CA 3.44Å; D31-V133 WeakPolarHBondContact OD2-CA 3.12Å; D31-V133 WeakPolarHBondContact OD2-CG1 3.48Å; D31-V133 PolarHBondContact OD2-N 3.21Å
32	G	98.8	Very high	98.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.5	-41.7	175.9	0	0	0	0	0	112.7	K29 R35 R36 L37	K29-G32 PolarHBondContact O-N 3.09Å; G32-R35 PolarHBondContact O-N 3.26Å; G32-R36 PolarHBondContact O-N 3.13Å; G32-L37 PolarHBondContact O-N 2.66Å
33	V	98.8	Very high	98.8	Very high	17 Å²	17	37.2 Å²	37.2	10%	0.103	18%	0.175	C	C	.	.	H	α-helix	trans	-66.2	-46.2	175.6	177.8	0	0	0	0	111.4	V28 K29 P30 R35 R36 V38 L57 P89 V91	V28-V33 HydrophobicContact CB-CG2 4.39Å; V28-V33 HydrophobicContact CG1-CG2 4.05Å; K29-V33 PolarHBondContact O-N 3.43Å; K29-V33 VanDerWaalsContact O-N 3.1Å; P30-V33 PolarHBondContact O-N 2.96Å; V33-R35 PolarHBondContact O-N 3.27Å; V33-R36 PolarHBondContact O-N 2.95Å; V33-R36 VanDerWaalsContact O-N 3.07Å; V33-R36 PolarHBondContact O-NH1 2.94Å; V33-R36 VanDerWaalsContact O-NH1 3.17Å; V33-V38 HydrophobicContact CB-CG2 4.47Å; V33-V38 HydrophobicContact CG2-CG2 3.97Å; V33-L57 HydrophobicContact CG1-CD1 4.46Å; V33-P89 HydrophobicContact CG1-CG 3.89Å; V33-P89 WeakPolarHBondContact CG2-O 3.23Å; V33-V91 HydrophobicContact CG2-CG2 3.97Å
34	Q	98.8	Very high	98.9	Very high	117 Å²	117	36.6 Å²	36.6	55%	0.547	17%	0.173	S	C	.	.	H	α-helix	trans	-64.3	-32	179.7	-68.6	-69.4	33.9	0	0	112.7	P30 D31 R36	P30-Q34 WeakPolarHBondContact O-CB 3.15Å; P30-Q34 WeakPolarHBondContact O-CG 3.49Å; P30-Q34 PolarHBondContact O-N 3.31Å; D31-Q34 PolarHBondContact O-N 3.12Å; Q34-R36 VanDerWaalsContact C-N 3.26Å; Q34-R36 PolarHBondContact O-N 2.9Å; Q34-R36 PolarHBondContact O-NH1 2.86Å
35	R	98.8	Very high	98.9	Very high	120 Å²	120	36.6 Å²	36.6	45%	0.453	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	7.6	176.8	-65.4	169.7	63.5	-157.6	-3.3	113.9	D31 G32 V33 L37 F125	D31-R35 VanDerWaalsContact O-CB 3.25Å; D31-R35 WeakPolarHBondContact O-CB 3.4Å; D31-R35 WeakPolarHBondContact O-CD 3.02Å; D31-R35 WeakPolarHBondContact O-CG 3.31Å; D31-R35 PolarHBondContact O-N 3.47Å; G32-R35 PolarHBondContact O-N 3.26Å; V33-R35 PolarHBondContact O-N 3.27Å; R35-L37 HydrophobicContact CB-CD1 4.1Å; R35-L37 HydrophobicContact CB-CG 4.02Å; R35-L37 PolarHBondContact O-N 2.84Å; R35-F125 PolarHBondContact NH1-O 3.19Å; R35-F125 PolarHBondContact NH2-O 2.7Å
36	R	98.8	Very high	98.9	Very high	185 Å²	185	41.8 Å²	41.8	70%	0.698	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	31.2	178.1	-48.3	-60.1	-179.9	-120.5	-0	113.6	G32 V33 Q34	G32-R36 PolarHBondContact O-N 3.13Å; V33-R36 PolarHBondContact O-N 2.95Å; V33-R36 VanDerWaalsContact O-N 3.07Å; V33-R36 PolarHBondContact O-NH1 2.94Å; V33-R36 VanDerWaalsContact O-NH1 3.17Å; Q34-R36 VanDerWaalsContact C-N 3.26Å; Q34-R36 PolarHBondContact O-N 2.9Å; Q34-R36 PolarHBondContact O-NH1 2.86Å
37	L	98.9	Very high	98.8	Very high	20 Å²	20	48.9 Å²	48.9	11%	0.105	22%	0.224	C	C	.	.			trans	-88.2	-1	-178.3	-64.1	176	0	0	0	114	G32 R35 G39 E40 I41 F125 V133	G32-L37 PolarHBondContact O-N 2.66Å; R35-L37 HydrophobicContact CB-CD1 4.1Å; R35-L37 HydrophobicContact CB-CG 4.02Å; R35-L37 PolarHBondContact O-N 2.84Å; L37-G39 PolarHBondContact O-N 3.1Å; L37-E40 PolarHBondContact O-N 3.26Å; L37-I41 HydrophobicContact CB-CD1 4.15Å; L37-I41 WeakPolarHBondContact O-CB 3.37Å; L37-I41 WeakPolarHBondContact O-CG1 3.25Å; L37-I41 PolarHBondContact O-N 3.49Å; L37-F125 HydrophobicContact CD1-CB 3.94Å; L37-F125 HydrophobicContact CD1-CG 4.29Å; L37-F125 HydrophobicContact CD2-CD1 4.2Å; L37-F125 HydrophobicContact CD2-CE1 4.5Å; L37-F125 HydrophobicContact CD2-CG 4.35Å; L37-V133 HydrophobicContact CD1-CG1 4.01Å
38	V	98.9	Very high	98.8	Very high	41 Å²	41	54.8 Å²	54.8	25%	0.248	25%	0.249	C	C	.	.	H	α-helix	trans	-55.7	-53.6	-177.3	177.5	0	0	0	0	111.5	V28 V33 E40 I41 V42 V91	V28-V38 HydrophobicContact CG1-CG2 4.24Å; V33-V38 HydrophobicContact CB-CG2 4.47Å; V33-V38 HydrophobicContact CG2-CG2 3.97Å; V38-E40 VanDerWaalsContact C-N 3.32Å; V38-E40 PolarHBondContact O-N 3.06Å; V38-I41 PolarHBondContact O-N 3.41Å; V38-V42 HydrophobicContact CG1-CG2 4.33Å; V38-V42 WeakPolarHBondContact O-CB 3.46Å; V38-V42 WeakPolarHBondContact O-CG2 3.38Å; V38-V42 PolarHBondContact O-N 2.95Å; V38-V91 HydrophobicContact CG1-CG1 4.35Å; V38-V91 HydrophobicContact CG1-CG2 4.02Å; V38-V91 HydrophobicContact CG2-CG2 3.8Å
39	G	98.8	Very high	98.8	Very high	50 Å²	50	55.4 Å²	55.4	52%	0.515	26%	0.256	S	S	.	.	H	α-helix	trans	-61.9	-40.1	-179.2	0	0	0	0	0	112.5	L37 R43	L37-G39 PolarHBondContact O-N 3.1Å; G39-R43 WeakPolarHBondContact O-CB 3.28Å; G39-R43 PolarHBondContact O-N 2.99Å
40	E	98.9	Very high	98.8	Very high	47 Å²	47	55.4 Å²	55.4	22%	0.22	26%	0.256	C	S	.	.	H	α-helix	trans	-65	-42.5	177.7	175.1	53.3	-157.4	0	0	112.1	L37 V38 R43 R44 F125	L37-E40 PolarHBondContact O-N 3.26Å; V38-E40 VanDerWaalsContact C-N 3.32Å; V38-E40 PolarHBondContact O-N 3.06Å; E40-R43 IonicContact OE1-CZ 2.82Å; E40-R43 IonicContact OE1-NH2 3.45Å; E40-R43 PolarHBondContact OE1-NH2 2.81Å; E40-R43 IonicContact OE2-CZ 3.1Å; E40-R43 VanDerWaalsContact OE2-CZ 3.26Å; E40-R43 IonicContact OE2-NE 3.43Å; E40-R43 PolarHBondContact OE2-NE 2.93Å; E40-R43 IonicContact OE2-NH2 3.56Å; E40-R43 PolarHBondContact OE2-NH2 3.48Å; E40-R44 WeakPolarHBondContact O-CG 3.49Å; E40-R44 PolarHBondContact O-N 3.07Å; E40-R44 IonicContact OE1-CZ 3.95Å; E40-R44 IonicContact OE1-NE 4Å; E40-R44 PolarHBondContact OE1-NE 3.1Å; E40-R44 IonicContact OE1-NH2 3.47Å; E40-R44 PolarHBondContact OE1-NH2 2.91Å; E40-F125 HydrophobicContact CG-CE1 4.33Å; E40-F125 HydrophobicContact CG-CE2 3.57Å; E40-F125 HydrophobicContact CG-CZ 3.36Å
41	I	98.9	Very high	98.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.4	-52	176.6	-72.4	168.5	0	0	0	110.4	V28 L37 V38 R43 R44 F45 M93 I121 V133 I134	V28-I41 HydrophobicContact CB-CD1 4.45Å; V28-I41 HydrophobicContact CG1-CD1 3.82Å; V28-I41 HydrophobicContact CG2-CB 4.34Å; V28-I41 HydrophobicContact CG2-CD1 3.89Å; V28-I41 HydrophobicContact CG2-CG2 3.98Å; L37-I41 HydrophobicContact CB-CD1 4.15Å; L37-I41 WeakPolarHBondContact O-CB 3.37Å; L37-I41 WeakPolarHBondContact O-CG1 3.25Å; L37-I41 PolarHBondContact O-N 3.49Å; V38-I41 PolarHBondContact O-N 3.41Å; I41-R43 VanDerWaalsContact C-N 3.31Å; I41-R43 PolarHBondContact O-N 3.26Å; I41-R44 WeakPolarHBondContact O-CB 3.32Å; I41-R44 PolarHBondContact O-N 3.09Å; I41-F45 HydrophobicContact CG2-CD2 4.28Å; I41-F45 HydrophobicContact CG2-CE2 3.92Å; I41-F45 VanDerWaalsContact O-CD2 3.23Å; I41-F45 WeakPolarHBondContact O-CD2 3.45Å; I41-M93 HydrophobicContact CG2-CE 4.13Å; I41-I121 HydrophobicContact CD1-CG2 4.38Å; I41-I121 HydrophobicContact CG1-CG2 4.1Å; I41-I121 HydrophobicContact CG2-CD1 4.37Å; I41-V133 HydrophobicContact CD1-CG2 4.45Å; I41-I134 HydrophobicContact CD1-CD1 4.38Å; I41-I134 HydrophobicContact CG2-CD1 3.46Å; I41-I134 VanDerWaalsContact CG2-CD1 3.46Å
42	V	98.9	Very high	98.8	Very high	20 Å²	20	57.8 Å²	57.8	12%	0.121	27%	0.267	C	S	.	.	H	α-helix	trans	-55.3	-49.2	179.6	168.7	0	0	0	0	110.3	V38 R44 F45 E46 M93 W95	V38-V42 HydrophobicContact CG1-CG2 4.33Å; V38-V42 WeakPolarHBondContact O-CB 3.46Å; V38-V42 WeakPolarHBondContact O-CG2 3.38Å; V38-V42 PolarHBondContact O-N 2.95Å; V42-R44 PolarHBondContact O-N 3.06Å; V42-R44 VanDerWaalsContact O-N 3.1Å; V42-F45 PolarHBondContact O-N 3.43Å; V42-E46 HydrophobicContact CG1-CG 4.03Å; V42-E46 WeakPolarHBondContact O-CG 3.43Å; V42-E46 PolarHBondContact O-N 2.93Å; V42-M93 HydrophobicContact CG2-SD 3.75Å; V42-W95 HydrophobicContact CG1-CH2 4.15Å; V42-W95 HydrophobicContact CG1-CZ2 4.12Å
43	R	98.9	Very high	98.8	Very high	100 Å²	100	58 Å²	58	38%	0.377	27%	0.268	S	S	.	.	H	α-helix	trans	-54.3	-34	178	-174.2	-170.9	70	79.5	-1.5	113	G39 E40 I41 R47	G39-R43 WeakPolarHBondContact O-CB 3.28Å; G39-R43 PolarHBondContact O-N 2.99Å; E40-R43 IonicContact OE1-CZ 2.82Å; E40-R43 IonicContact OE1-NH2 3.45Å; E40-R43 PolarHBondContact OE1-NH2 2.81Å; E40-R43 IonicContact OE2-CZ 3.1Å; E40-R43 VanDerWaalsContact OE2-CZ 3.26Å; E40-R43 IonicContact OE2-NE 3.43Å; E40-R43 PolarHBondContact OE2-NE 2.93Å; E40-R43 IonicContact OE2-NH2 3.56Å; E40-R43 PolarHBondContact OE2-NH2 3.48Å; I41-R43 VanDerWaalsContact C-N 3.31Å; I41-R43 PolarHBondContact O-N 3.26Å; R43-R47 VanDerWaalsContact O-CB 3.31Å; R43-R47 WeakPolarHBondContact O-CB 3.14Å; R43-R47 VanDerWaalsContact O-CG 3.23Å; R43-R47 WeakPolarHBondContact O-CG 3.45Å; R43-R47 PolarHBondContact O-N 2.89Å
44	R	98.9	Very high	98.8	Very high	15 Å²	15	57.3 Å²	57.3	6%	0.057	26%	0.264	C	S	.	.	H	α-helix	trans	-68.9	-32.5	178.7	-72	-172.7	-177.2	-147.9	0.9	113.3	E40 I41 V42 R47 G119 T120 D124	E40-R44 WeakPolarHBondContact O-CG 3.49Å; E40-R44 PolarHBondContact O-N 3.07Å; E40-R44 IonicContact OE1-CZ 3.95Å; E40-R44 IonicContact OE1-NE 4Å; E40-R44 PolarHBondContact OE1-NE 3.1Å; E40-R44 IonicContact OE1-NH2 3.47Å; E40-R44 PolarHBondContact OE1-NH2 2.91Å; I41-R44 WeakPolarHBondContact O-CB 3.32Å; I41-R44 PolarHBondContact O-N 3.09Å; V42-R44 PolarHBondContact O-N 3.06Å; V42-R44 VanDerWaalsContact O-N 3.1Å; R44-R47 WeakPolarHBondContact O-CG 3.35Å; R44-G119 PolarHBondContact NH1-O 2.89Å; R44-T120 PolarHBondContact NH1-O 2.91Å; R44-D124 IonicContact CZ-OD2 3.37Å; R44-D124 IonicContact NH1-OD2 2.68Å; R44-D124 PolarHBondContact NH1-OD2 2.96Å; R44-D124 IonicContact NH2-OD2 3.45Å; R44-D124 PolarHBondContact NH2-OD2 2.84Å
45	F	98.9	Very high	98.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-80.6	-40.9	174.9	-66.9	-82.1	0	0	0	111.3	L26 I41 V42 K48 G49 F50 W95 S104 L107 I108 I121 I134	L26-F45 HydrophobicContact CD1-CD1 3.83Å; L26-F45 HydrophobicContact CD1-CD2 3.96Å; L26-F45 HydrophobicContact CD1-CE1 3.38Å; L26-F45 HydrophobicContact CD1-CE2 3.53Å; L26-F45 HydrophobicContact CD1-CG 4.13Å; L26-F45 HydrophobicContact CD1-CZ 3.23Å; I41-F45 HydrophobicContact CG2-CD2 4.28Å; I41-F45 HydrophobicContact CG2-CE2 3.92Å; I41-F45 VanDerWaalsContact O-CD2 3.23Å; I41-F45 WeakPolarHBondContact O-CD2 3.45Å; V42-F45 PolarHBondContact O-N 3.43Å; F45-K48 WeakPolarHBondContact O-CB 3.23Å; F45-K48 PolarHBondContact O-N 3.4Å; F45-G49 PolarHBondContact O-N 2.92Å; F45-F50 HydrophobicContact CD1-CD2 4.04Å; F45-F50 PolarHBondContact O-N 3.07Å; F45-W95 HydrophobicContact CB-CD2 3.7Å; F45-W95 HydrophobicContact CB-CE3 3.72Å; F45-W95 HydrophobicContact CB-CG 4.49Å; F45-W95 HydrophobicContact CB-CH2 3.71Å; F45-W95 HydrophobicContact CB-CZ2 3.65Å; F45-W95 HydrophobicContact CB-CZ3 3.72Å; F45-W95 HydrophobicContact CG-CD2 4.22Å; F45-W95 HydrophobicContact CG-CZ2 4.38Å; F45-S104 WeakPolarHBondContact CE1-OG 3.31Å; F45-L107 HydrophobicContact CD1-CD1 3.97Å; F45-L107 HydrophobicContact CE1-CB 4.39Å; F45-L107 HydrophobicContact CE1-CD1 3.88Å; F45-I108 HydrophobicContact CZ-CG1 4.27Å; F45-I121 HydrophobicContact CE2-CD1 3.7Å; F45-I121 HydrophobicContact CZ-CD1 3.92Å; F45-I134 HydrophobicContact CE2-CD1 4.1Å; F45-I134 HydrophobicContact CZ-CD1 4.42Å
46	E	98.9	Very high	98.8	Very high	109 Å²	109	52.9 Å²	52.9	51%	0.509	25%	0.251	S	S	.	.	H	α-helix	trans	-59.1	-51.4	175.1	-65	-179.8	136.4	0	0	111.6	V42 K48 G49 W95	V42-E46 HydrophobicContact CG1-CG 4.03Å; V42-E46 WeakPolarHBondContact O-CG 3.43Å; V42-E46 PolarHBondContact O-N 2.93Å; E46-K48 PolarHBondContact O-N 3.38Å; E46-K48 VanDerWaalsContact O-N 3.1Å; E46-G49 PolarHBondContact O-N 3.27Å; E46-W95 HydrophobicContact CG-CH2 3.59Å; E46-W95 HydrophobicContact CG-CZ3 4.04Å
47	R	98.6	Very high	98.8	Very high	148 Å²	148	49.7 Å²	49.7	56%	0.558	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-19.2	-179.3	78.3	-174.4	-179.3	165.2	-6.2	113.4	R43 R44 G49	R43-R47 VanDerWaalsContact O-CB 3.31Å; R43-R47 WeakPolarHBondContact O-CB 3.14Å; R43-R47 VanDerWaalsContact O-CG 3.23Å; R43-R47 WeakPolarHBondContact O-CG 3.45Å; R43-R47 PolarHBondContact O-N 2.89Å; R44-R47 WeakPolarHBondContact O-CG 3.35Å; R47-G49 VanDerWaalsContact C-N 3.27Å
48	K	98.3	Very high	98.8	Very high	125 Å²	125	50.6 Å²	50.6	54%	0.543	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-18.8	175.8	-175.2	61.8	176.3	175.5	0	111.3	F45 E46 F50 L107	F45-K48 WeakPolarHBondContact O-CB 3.23Å; F45-K48 PolarHBondContact O-N 3.4Å; E46-K48 PolarHBondContact O-N 3.38Å; E46-K48 VanDerWaalsContact O-N 3.1Å; K48-F50 HydrophobicContact CB-CD2 4.07Å; K48-F50 HydrophobicContact CB-CE2 4.25Å; K48-F50 HydrophobicContact CG-CD2 3.86Å; K48-F50 HydrophobicContact CG-CE2 3.55Å; K48-F50 HydrophobicContact CG-CZ 4.05Å; K48-L107 HydrophobicContact CB-CD1 4.34Å; K48-L107 HydrophobicContact CG-CD1 4.14Å
49	G	98.5	Very high	98.8	Very high	13 Å²	13	54 Å²	54	13%	0.134	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.7	13	-175.3	0	0	0	0	0	113.7	F45 E46 R47	F45-G49 PolarHBondContact O-N 2.92Å; E46-G49 PolarHBondContact O-N 3.27Å; R47-G49 VanDerWaalsContact C-N 3.27Å
50	F	98.7	Very high	98.7	Very high	17 Å²	17	52 Å²	52	8%	0.075	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-79.3	146.4	172.6	-65	-48.1	0	0	0	111	F45 K48 W95 V100 A103 L107	F45-F50 HydrophobicContact CD1-CD2 4.04Å; F45-F50 PolarHBondContact O-N 3.07Å; K48-F50 HydrophobicContact CB-CD2 4.07Å; K48-F50 HydrophobicContact CB-CE2 4.25Å; K48-F50 HydrophobicContact CG-CD2 3.86Å; K48-F50 HydrophobicContact CG-CE2 3.55Å; K48-F50 HydrophobicContact CG-CZ 4.05Å; F50-W95 HydrophobicContact CB-CE3 3.75Å; F50-W95 HydrophobicContact CB-CZ3 4.44Å; F50-W95 VanDerWaalsContact O-CZ3 3.31Å; F50-W95 WeakPolarHBondContact O-CZ3 3.46Å; F50-V100 HydrophobicContact CB-CG2 4.48Å; F50-V100 HydrophobicContact CD1-CB 4.1Å; F50-V100 HydrophobicContact CD1-CG2 3.69Å; F50-V100 HydrophobicContact CD2-CG2 4.01Å; F50-V100 HydrophobicContact CE1-CB 3.89Å; F50-V100 HydrophobicContact CE1-CG2 3.82Å; F50-V100 HydrophobicContact CE2-CG2 4.1Å; F50-V100 HydrophobicContact CG-CG2 3.81Å; F50-V100 HydrophobicContact CZ-CB 4.29Å; F50-V100 HydrophobicContact CZ-CG2 4.03Å; F50-A103 HydrophobicContact CE2-CB 4.12Å; F50-A103 HydrophobicContact CZ-CB 3.58Å; F50-L107 HydrophobicContact CE2-CD1 4.08Å
51	K	98.8	Very high	98.7	Very high	28 Å²	28	52.4 Å²	52.4	12%	0.122	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	124.2	-175.8	-175.4	-172.8	-178.6	178.4	0	110.9	V53 W95 Q96 W159 D161	K51-V53 HydrophobicContact CD-CG1 4.17Å; K51-V53 HydrophobicContact CG-CG1 4.18Å; K51-V53 PolarHBondContact O-N 3.12Å; K51-W95 CarbonylContact O-C 3.57Å; K51-W95 WeakPolarHBondContact O-CA 3.28Å; K51-Q96 HydrophobicContact CB-CB 4.35Å; K51-Q96 PolarHBondContact N-O 2.93Å; K51-Q96 PolarHBondContact O-N 3.35Å; K51-W159 HydrophobicContact CD-CZ2 4.15Å; K51-W159 WeakPolarHBondContact CE-O 3.39Å; K51-W159 HydrophobicContact CG-CH2 4Å; K51-W159 HydrophobicContact CG-CZ2 3.35Å; K51-W159 PolarHBondContact NZ-O 3.01Å; K51-D161 HydrophobicContact CD-CB 4.13Å
52	L	98.8	Very high	98.6	Very high	42 Å²	42	57.1 Å²	57.1	22%	0.22	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	121.9	173.3	-174.7	65.8	0	0	0	109.8	A54 L55 M93 W95 W159	L52-A54 VanDerWaalsContact CD1-O 3.31Å; L52-A54 WeakPolarHBondContact CD1-O 3.32Å; L52-L55 HydrophobicContact CD1-CB 4.44Å; L52-L55 HydrophobicContact CD1-CD1 4.21Å; L52-L55 HydrophobicContact CD2-CB 4.19Å; L52-L55 HydrophobicContact CD2-CD1 4.29Å; L52-L55 HydrophobicContact CD2-CD2 4.5Å; L52-M93 HydrophobicContact CD1-CB 4.31Å; L52-W95 HydrophobicContact CB-CE3 4.2Å; L52-W95 HydrophobicContact CB-CH2 3.93Å; L52-W95 HydrophobicContact CB-CZ2 4.41Å; L52-W95 HydrophobicContact CB-CZ3 3.83Å; L52-W95 HydrophobicContact CD1-CD2 4.17Å; L52-W95 HydrophobicContact CD1-CH2 4.16Å; L52-W95 HydrophobicContact CD1-CZ2 3.76Å; L52-W95 HydrophobicContact CG-CH2 4.47Å; L52-W159 PolarHBondContact O-NE1 3.3Å
53	V	98.7	Very high	98.6	Very high	3 Å²	3	62.6 Å²	62.6	2%	0.018	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	-13.1	-179.4	-61.6	0	0	0	0	113.3	K51 V94 Q96 L157	K51-V53 HydrophobicContact CD-CG1 4.17Å; K51-V53 HydrophobicContact CG-CG1 4.18Å; K51-V53 PolarHBondContact O-N 3.12Å; V53-V94 HydrophobicContact CG2-CB 3.8Å; V53-V94 HydrophobicContact CG2-CG1 3.53Å; V53-V94 WeakPolarHBondContact CG2-O 3.35Å; V53-V94 PolarHBondContact N-O 3.33Å; V53-Q96 HydrophobicContact CG1-CB 3.88Å; V53-Q96 HydrophobicContact CG2-CB 4.39Å; V53-L157 PolarHBondContact O-N 3.16Å
54	A	98.8	Very high	98.6	Very high	4 Å²	4	59.9 Å²	59.9	3%	0.033	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	147.6	168.3	0	0	0	0	0	111.5	L52 M93 V94 F151 E155 L156	L52-A54 VanDerWaalsContact CD1-O 3.31Å; L52-A54 WeakPolarHBondContact CD1-O 3.32Å; A54-M93 WeakPolarHBondContact O-CA 3.46Å; A54-V94 HydrophobicContact CB-CB 3.99Å; A54-V94 HydrophobicContact CB-CG2 3.96Å; A54-V94 PolarHBondContact N-O 2.81Å; A54-V94 PolarHBondContact O-N 3.44Å; A54-F151 HydrophobicContact CB-CD1 3.77Å; A54-F151 HydrophobicContact CB-CE1 3.58Å; A54-F151 HydrophobicContact CB-CG 4.34Å; A54-F151 HydrophobicContact CB-CZ 4.02Å; A54-E155 VanDerWaalsContact CB-O 3.32Å; A54-E155 WeakPolarHBondContact CB-O 3.48Å; A54-L156 HydrophobicContact CB-CD2 3.7Å
55	L	98.9	Very high	98.6	Very high	95 Å²	95	59.1 Å²	59.1	50%	0.497	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	130	179.4	-169.4	83.7	0	0	0	110.1	L52 V91 A92 M93	L52-L55 HydrophobicContact CD1-CB 4.44Å; L52-L55 HydrophobicContact CD1-CD1 4.21Å; L52-L55 HydrophobicContact CD2-CB 4.19Å; L52-L55 HydrophobicContact CD2-CD1 4.29Å; L52-L55 HydrophobicContact CD2-CD2 4.5Å; L55-V91 HydrophobicContact CD1-CG1 3.81Å; L55-V91 HydrophobicContact CG-CG1 4.39Å; L55-A92 WeakPolarHBondContact CA-O 3.32Å; L55-M93 HydrophobicContact CD1-CB 4.13Å; L55-M93 HydrophobicContact CD1-CG 3.47Å; L55-M93 VanDerWaalsContact CD1-CG 3.47Å; L55-M93 HydrophobicContact CD1-SD 3.61Å
56	K	98.8	Very high	98.6	Very high	49 Å²	49	65.2 Å²	65.2	21%	0.213	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	144.1	167.6	60.9	-175.2	174.8	-171.7	0	113.3	V58 V91 A92 W150 F151 E155	K56-V58 HydrophobicContact CB-CG1 4.24Å; K56-V58 HydrophobicContact CD-CG1 3.78Å; K56-V58 HydrophobicContact CG-CG1 3.78Å; K56-V91 WeakPolarHBondContact O-CA 3.41Å; K56-A92 HydrophobicContact CG-CB 4.2Å; K56-A92 PolarHBondContact N-O 3.15Å; K56-A92 PolarHBondContact O-N 2.95Å; K56-W150 WeakPolarHBondContact CE-O 3.43Å; K56-W150 PolarHBondContact NZ-O 2.77Å; K56-F151 HydrophobicContact CD-CD1 4.22Å; K56-F151 HydrophobicContact CD-CE1 3.81Å; K56-F151 HydrophobicContact CD-CZ 4.46Å; K56-F151 HydrophobicContact CG-CE1 3.68Å; K56-F151 HydrophobicContact CG-CZ 4Å; K56-E155 IonicContact NZ-OE1 2.93Å; K56-E155 PolarHBondContact NZ-OE1 2.98Å; K56-E155 IonicContact NZ-OE2 2.78Å; K56-E155 PolarHBondContact NZ-OE2 3.06Å
57	L	98.8	Very high	98.5	Very high	118 Å²	118	65 Å²	65	62%	0.618	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	121.1	168	-176.4	73.3	0	0	0	108.4	V33 P89 V90 V91	V33-L57 HydrophobicContact CG1-CD1 4.46Å; L57-P89 HydrophobicContact CD1-CB 3.93Å; L57-P89 HydrophobicContact CG-CB 4.38Å; L57-V90 WeakPolarHBondContact CA-O 3.17Å; L57-V91 HydrophobicContact CD1-CG2 3.53Å
58	V	98.6	Very high	98.5	Very high	39 Å²	39	58.4 Å²	58.4	24%	0.236	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	149.8	-175.7	-66	0	0	0	0	111.6	K56 P89 V90 W150	K56-V58 HydrophobicContact CB-CG1 4.24Å; K56-V58 HydrophobicContact CD-CG1 3.78Å; K56-V58 HydrophobicContact CG-CG1 3.78Å; V58-P89 WeakPolarHBondContact O-CA 3.4Å; V58-V90 PolarHBondContact N-O 3.28Å; V58-V90 PolarHBondContact O-N 2.81Å; V58-W150 HydrophobicContact CG2-CE3 4.49Å; V58-W150 HydrophobicContact CG2-CZ3 3.97Å
59	Q	98.6	Very high	98.5	Very high	113 Å²	113	53.2 Å²	53.2	53%	0.528	26%	0.263	S	S	.	.			trans	-91.2	102.4	159.6	-174.1	68.4	36.4	0	0	107	G86 G88	Q59-G86 PolarHBondContact NE2-O 2.83Å; Q59-G88 PolarHBondContact NE2-O 2.63Å; Q59-G88 PolarHBondContact OE1-O 2.85Å
60	A	98.2	Very high	98.4	Very high	8 Å²	8	55 Å²	55	7%	0.066	27%	0.272	C	S	.	.			trans	-68.5	134.5	-176.7	0	0	0	0	0	111.2	L64 L65 W150	A60-L64 HydrophobicContact CB-CD2 4.16Å; A60-L65 HydrophobicContact CB-CD1 4.05Å; A60-L65 HydrophobicContact CB-CD2 3.83Å; A60-L65 HydrophobicContact CB-CG 3.82Å; A60-W150 HydrophobicContact CB-CH2 3.82Å; A60-W150 HydrophobicContact CB-CZ3 4.11Å
61	S	98.3	Very high	98.2	Very high	55 Å²	55	60 Å²	60	39%	0.385	30%	0.295	S	S	.	.			trans	-72.6	158.6	177.1	89.7	0	0	0	0	111.1	E63 L64 L65	S61-E63 VanDerWaalsContact C-N 3.26Å; S61-E63 WeakPolarHBondContact CB-OE2 3.31Å; S61-E63 PolarHBondContact O-N 3.39Å; S61-E63 PolarHBondContact OG-N 3.07Å; S61-E63 PolarHBondContact OG-OE2 3.32Å; S61-L64 PolarHBondContact O-N 3.17Å; S61-L64 PolarHBondContact OG-N 3.29Å; S61-L65 VanDerWaalsContact O-CG 3.31Å; S61-L65 WeakPolarHBondContact O-CG 3.19Å; S61-L65 PolarHBondContact O-N 3.42Å; S61-L65 VanDerWaalsContact O-N 3.08Å
62	E	97.9	Very high	98	Very high	99 Å²	99	61.3 Å²	61.3	46%	0.463	30%	0.303	S	S	.	.	H	α-helix	trans	-62.4	-37.8	177.9	-173.5	171.8	157.1	0	0	111.4	L65 R66 V82	E62-L65 PolarHBondContact O-N 3.38Å; E62-R66 HydrophobicContact CG-CG 4.48Å; E62-R66 WeakPolarHBondContact O-CB 3.49Å; E62-R66 VanDerWaalsContact O-CG 3.28Å; E62-R66 WeakPolarHBondContact O-CG 3.3Å; E62-R66 PolarHBondContact O-N 2.95Å; E62-R66 IonicContact OE1-CZ 3.34Å; E62-R66 IonicContact OE1-NE 3.18Å; E62-R66 PolarHBondContact OE1-NE 3.32Å; E62-R66 IonicContact OE1-NH1 3.62Å; E62-R66 IonicContact OE1-NH2 2.67Å; E62-R66 PolarHBondContact OE1-NH2 2.86Å; E62-V82 HydrophobicContact CG-CG1 3.8Å
63	E	98.3	Very high	97.8	Very high	134 Å²	134	66.7 Å²	66.7	63%	0.626	32%	0.321	S	S	*	.	H	α-helix	trans	-61.4	-48.8	177.1	-56.5	73.6	-156.8	0	0	111.1	S61 L65 R66 E67	S61-E63 VanDerWaalsContact C-N 3.26Å; S61-E63 WeakPolarHBondContact CB-OE2 3.31Å; S61-E63 PolarHBondContact O-N 3.39Å; S61-E63 PolarHBondContact OG-N 3.07Å; S61-E63 PolarHBondContact OG-OE2 3.32Å; E63-L65 VanDerWaalsContact C-N 3.31Å; E63-L65 PolarHBondContact O-N 3.32Å; E63-R66 PolarHBondContact O-N 3.07Å; E63-E67 PolarHBondContact O-N 2.91Å
64	L	98.5	Very high	97.8	Very high	43 Å²	43	73.8 Å²	73.8	23%	0.225	35%	0.354	C	S	.	.	H	α-helix	trans	-59.6	-43.4	177.7	-177.1	70.8	0	0	0	111.3	A60 S61 E67 H68 L149 W150	A60-L64 HydrophobicContact CB-CD2 4.16Å; S61-L64 PolarHBondContact O-N 3.17Å; S61-L64 PolarHBondContact OG-N 3.29Å; L64-E67 PolarHBondContact O-N 2.99Å; L64-H68 WeakPolarHBondContact O-CB 3.42Å; L64-H68 PolarHBondContact O-N 3.13Å; L64-L149 HydrophobicContact CD1-CD1 3.79Å; L64-L149 HydrophobicContact CD1-CD2 4.43Å; L64-L149 HydrophobicContact CD1-CG 3.76Å; L64-W150 HydrophobicContact CD2-CD2 4.27Å; L64-W150 HydrophobicContact CD2-CE3 4.08Å; L64-W150 HydrophobicContact CD2-CH2 4.3Å; L64-W150 HydrophobicContact CD2-CZ2 4.46Å; L64-W150 HydrophobicContact CD2-CZ3 4.1Å
65	L	98.6	Very high	97.6	Very high	0 Å²	0	80.7 Å²	80.7	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-70.3	-34.3	-178.8	-69.8	171.9	0	0	0	112.7	A60 S61 E62 E63 H68 Y69 V82 M85 G86 W150	A60-L65 HydrophobicContact CB-CD1 4.05Å; A60-L65 HydrophobicContact CB-CD2 3.83Å; A60-L65 HydrophobicContact CB-CG 3.82Å; S61-L65 VanDerWaalsContact O-CG 3.31Å; S61-L65 WeakPolarHBondContact O-CG 3.19Å; S61-L65 PolarHBondContact O-N 3.42Å; S61-L65 VanDerWaalsContact O-N 3.08Å; E62-L65 PolarHBondContact O-N 3.38Å; E63-L65 VanDerWaalsContact C-N 3.31Å; E63-L65 PolarHBondContact O-N 3.32Å; L65-H68 PolarHBondContact O-N 3.34Å; L65-Y69 HydrophobicContact CD2-CE2 4.48Å; L65-Y69 VanDerWaalsContact O-CD2 3.29Å; L65-Y69 WeakPolarHBondContact O-CD2 3.4Å; L65-Y69 PolarHBondContact O-N 3.41Å; L65-V82 HydrophobicContact CB-CG1 4.04Å; L65-M85 HydrophobicContact CD1-CB 3.8Å; L65-M85 HydrophobicContact CD2-CB 3.64Å; L65-M85 HydrophobicContact CG-CB 4.32Å; L65-G86 VanDerWaalsContact CD1-CA 3.49Å; L65-W150 HydrophobicContact CD2-CH2 4.14Å; L65-W150 HydrophobicContact CD2-CZ2 4.15Å
66	R	98.1	Very high	97.5	Very high	127 Å²	127	82.2 Å²	82.2	48%	0.479	40%	0.395	S	S	.	.	H	α-helix	trans	-65	-44.1	173.7	-77.1	178.9	172.2	175	0.4	111.4	E62 E63 Y69 V70 Y78 V82	E62-R66 HydrophobicContact CG-CG 4.48Å; E62-R66 WeakPolarHBondContact O-CB 3.49Å; E62-R66 VanDerWaalsContact O-CG 3.28Å; E62-R66 WeakPolarHBondContact O-CG 3.3Å; E62-R66 PolarHBondContact O-N 2.95Å; E62-R66 IonicContact OE1-CZ 3.34Å; E62-R66 IonicContact OE1-NE 3.18Å; E62-R66 PolarHBondContact OE1-NE 3.32Å; E62-R66 IonicContact OE1-NH1 3.62Å; E62-R66 IonicContact OE1-NH2 2.67Å; E62-R66 PolarHBondContact OE1-NH2 2.86Å; E63-R66 PolarHBondContact O-N 3.07Å; R66-Y69 CarbonylContact O-C 3.55Å; R66-Y69 PolarHBondContact O-N 3.41Å; R66-V70 WeakPolarHBondContact O-CA 3.47Å; R66-V70 PolarHBondContact O-N 3.43Å; R66-Y78 WeakPolarHBondContact CA-OH 3.31Å; R66-Y78 VanDerWaalsContact CB-OH 3.28Å; R66-Y78 WeakPolarHBondContact CB-OH 3.46Å; R66-Y78 WeakPolarHBondContact CG-OH 3.47Å; R66-Y78 PolarHBondContact O-OH 3.09Å; R66-Y78 VanDerWaalsContact O-OH 3.13Å; R66-V82 HydrophobicContact CG-CG1 4.1Å; R66-V82 HydrophobicContact CG-CG2 4.21Å
67	E	98.3	Very high	97.2	Very high	104 Å²	104	85 Å²	85	49%	0.486	41%	0.407	S	S	.	.	H	α-helix	trans	-64.1	-43.7	175.6	-170.3	58.5	-151.3	0	0	111.1	E63 L64 Y69 V70 L149	E63-E67 PolarHBondContact O-N 2.91Å; L64-E67 PolarHBondContact O-N 2.99Å; E67-Y69 VanDerWaalsContact C-N 3.29Å; E67-Y69 PolarHBondContact O-N 2.82Å; E67-V70 WeakPolarHBondContact O-CB 3.39Å; E67-V70 WeakPolarHBondContact O-CG1 3.4Å; E67-V70 PolarHBondContact O-N 2.93Å; E67-L149 HydrophobicContact CB-CD1 4.14Å; E67-L149 HydrophobicContact CB-CD2 4.16Å; E67-L149 HydrophobicContact CG-CD1 3.67Å; E67-L149 HydrophobicContact CG-CD2 4.01Å
68	H	98.4	Very high	97.1	Very high	10 Å²	10	81 Å²	81	5%	0.046	38%	0.384	C	S	.	.	H	α-helix	trans	-60	-37.4	178.1	178.8	68.4	0	0	0	112.9	F25 L64 L65 H135 E146 L149 W150	F25-H68 AromaticContact CE1-CE1 3.85Å; L64-H68 WeakPolarHBondContact O-CB 3.42Å; L64-H68 PolarHBondContact O-N 3.13Å; L65-H68 PolarHBondContact O-N 3.34Å; H68-H135 AromaticContact CE1-CD2 3.94Å; H68-H135 AromaticContact CE1-NE2 3.57Å; H68-H135 AromaticContact NE2-CD2 3.94Å; H68-H135 AromaticContact NE2-CE1 3.91Å; H68-H135 AromaticContact NE2-NE2 3.76Å; H68-E146 IonicContact CE1-OE1 3.04Å; H68-L149 HydrophobicContact CB-CD2 3.76Å; H68-W150 AromaticContact CE1-NE1 3.77Å; H68-W150 AromaticContact CG-NE1 3.55Å; H68-W150 AromaticContact ND1-NE1 3.13Å; H68-W150 PolarHBondContact ND1-NE1 2.96Å; H68-W150 VanDerWaalsContact ND1-NE1 3.13Å
69	Y	97.2	Very high	97	Very high	16 Å²	16	83.5 Å²	83.5	6%	0.063	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	22.2	179.3	-65.9	-57.8	0	0	0	113.8	L65 R66 E67 E71 L72 Y78 L81 V82 M85	L65-Y69 HydrophobicContact CD2-CE2 4.48Å; L65-Y69 VanDerWaalsContact O-CD2 3.29Å; L65-Y69 WeakPolarHBondContact O-CD2 3.4Å; L65-Y69 PolarHBondContact O-N 3.41Å; R66-Y69 CarbonylContact O-C 3.55Å; R66-Y69 PolarHBondContact O-N 3.41Å; E67-Y69 VanDerWaalsContact C-N 3.29Å; E67-Y69 PolarHBondContact O-N 2.82Å; Y69-E71 PolarHBondContact O-N 3.4Å; Y69-E71 VanDerWaalsContact O-N 3.13Å; Y69-L72 HydrophobicContact CD1-CD1 3.86Å; Y69-L72 WeakPolarHBondContact O-CA 3.4Å; Y69-L72 WeakPolarHBondContact O-CB 3.42Å; Y69-L72 PolarHBondContact O-N 3.4Å; Y69-Y78 VanDerWaalsContact O-CE2 3.25Å; Y69-Y78 WeakPolarHBondContact O-CE2 3.34Å; Y69-L81 HydrophobicContact CD1-CD2 3.67Å; Y69-L81 HydrophobicContact CD1-CG 4.49Å; Y69-L81 HydrophobicContact CD2-CD2 3.92Å; Y69-L81 HydrophobicContact CD2-CG 3.93Å; Y69-L81 HydrophobicContact CE1-CD2 3.77Å; Y69-L81 HydrophobicContact CE1-CG 4.36Å; Y69-L81 HydrophobicContact CE2-CD1 4.17Å; Y69-L81 HydrophobicContact CE2-CD2 4Å; Y69-L81 HydrophobicContact CE2-CG 3.77Å; Y69-L81 HydrophobicContact CG-CD2 3.75Å; Y69-L81 HydrophobicContact CG-CG 4.3Å; Y69-V82 HydrophobicContact CD2-CG2 4.43Å; Y69-M85 HydrophobicContact CE2-CB 4.36Å; Y69-M85 HydrophobicContact CE2-CG 3.82Å
70	V	96.4	Very high	96.9	Very high	50 Å²	50	88 Å²	88	30%	0.303	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-55.2	-36.1	-173.4	66.9	0	0	0	0	113.3	R66 E67 L72 R73	R66-V70 WeakPolarHBondContact O-CA 3.47Å; R66-V70 PolarHBondContact O-N 3.43Å; E67-V70 WeakPolarHBondContact O-CB 3.39Å; E67-V70 WeakPolarHBondContact O-CG1 3.4Å; E67-V70 PolarHBondContact O-N 2.93Å; V70-L72 PolarHBondContact O-N 3.08Å; V70-R73 VanDerWaalsContact O-CB 3.31Å; V70-R73 WeakPolarHBondContact O-CB 3.45Å; V70-R73 WeakPolarHBondContact O-CG 3.23Å; V70-R73 PolarHBondContact O-N 3.36Å
71	E	94.6	Very high	96.9	Very high	123 Å²	123	89 Å²	89	58%	0.575	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-66.7	-20	177.5	-63.3	-178.9	177.5	0	0	113.2	Y69 R145	Y69-E71 PolarHBondContact O-N 3.4Å; Y69-E71 VanDerWaalsContact O-N 3.13Å; E71-R145 IonicContact OE1-CZ 3.61Å; E71-R145 IonicContact OE1-NH1 2.95Å; E71-R145 PolarHBondContact OE1-NH1 2.68Å; E71-R145 IonicContact OE1-NH2 3.54Å; E71-R145 PolarHBondContact OE1-NH2 3.13Å
72	L	95.1	Very high	96.9	Very high	55 Å²	55	86.7 Å²	86.7	29%	0.288	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-97.4	3.9	179	-54.9	-179.5	0	0	0	112.7	Y69 V70 E74 R75 F77 Y78 L81	Y69-L72 HydrophobicContact CD1-CD1 3.86Å; Y69-L72 WeakPolarHBondContact O-CA 3.4Å; Y69-L72 WeakPolarHBondContact O-CB 3.42Å; Y69-L72 PolarHBondContact O-N 3.4Å; V70-L72 PolarHBondContact O-N 3.08Å; L72-E74 PolarHBondContact O-N 3.36Å; L72-E74 VanDerWaalsContact O-N 3.09Å; L72-R75 HydrophobicContact CB-CG 4.14Å; L72-R75 HydrophobicContact CD2-CG 4.19Å; L72-R75 WeakPolarHBondContact O-CB 3.42Å; L72-R75 WeakPolarHBondContact O-CG 3.02Å; L72-R75 PolarHBondContact O-N 3.2Å; L72-F77 HydrophobicContact CD1-CE2 4.33Å; L72-Y78 HydrophobicContact CB-CD2 4.2Å; L72-Y78 WeakPolarHBondContact O-CB 3.49Å; L72-L81 HydrophobicContact CD1-CD2 3.86Å
73	R	95.9	Very high	96.9	Very high	156 Å²	156	90 Å²	90	59%	0.589	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-33.9	-172.5	73.7	-176.4	-163.6	-160.5	-4.1	114.6	V70 R75 Y78	V70-R73 VanDerWaalsContact O-CB 3.31Å; V70-R73 WeakPolarHBondContact O-CB 3.45Å; V70-R73 WeakPolarHBondContact O-CG 3.23Å; V70-R73 PolarHBondContact O-N 3.36Å; R73-R75 VanDerWaalsContact C-N 3.3Å; R73-Y78 HydrophobicContact CB-CE1 4.39Å; R73-Y78 HydrophobicContact CB-CE2 4.43Å
74	E	96.8	Very high	96.9	Very high	151 Å²	151	84.9 Å²	84.9	71%	0.706	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-2.9	-179.6	-53.5	-56.8	153.2	0	0	112.7	L72	L72-E74 PolarHBondContact O-N 3.36Å; L72-E74 VanDerWaalsContact O-N 3.09Å
75	R	96.1	Very high	96.9	Very high	149 Å²	149	82.9 Å²	82.9	56%	0.562	38%	0.38	S	S	*	.	S	Bend	trans	-81	139.5	-179.3	-58.6	-60.8	-172.9	170.8	1.6	110.2	L72 R73 F77 Y78	L72-R75 HydrophobicContact CB-CG 4.14Å; L72-R75 HydrophobicContact CD2-CG 4.19Å; L72-R75 WeakPolarHBondContact O-CB 3.42Å; L72-R75 WeakPolarHBondContact O-CG 3.02Å; L72-R75 PolarHBondContact O-N 3.2Å; R73-R75 VanDerWaalsContact C-N 3.3Å; R75-F77 HydrophobicContact CB-CD1 4.16Å; R75-F77 HydrophobicContact CB-CD2 4.31Å; R75-F77 HydrophobicContact CB-CE1 3.77Å; R75-F77 HydrophobicContact CB-CE2 3.92Å; R75-F77 HydrophobicContact CB-CG 4.43Å; R75-F77 HydrophobicContact CB-CZ 3.64Å; R75-F77 HydrophobicContact CG-CE1 4.26Å; R75-F77 HydrophobicContact CG-CE2 4.37Å; R75-F77 HydrophobicContact CG-CZ 3.86Å; R75-F77 PolarHBondContact O-N 3.3Å; R75-Y78 VanDerWaalsContact O-CB 3.26Å; R75-Y78 WeakPolarHBondContact O-CB 3.41Å; R75-Y78 PolarHBondContact O-N 3.45Å
76	P	95.8	Very high	96.8	Very high	128 Å²	128	84.2 Å²	84.2	83%	0.831	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-19.5	-175.7	25.6	-35.4	0	0	0	113.8
77	F	93.8	Very high	96.9	Very high	108 Å²	108	82 Å²	82	47%	0.474	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-2.6	178.8	55.4	-101.5	0	0	0	114.2	L72 R75 S79 R80 L81	L72-F77 HydrophobicContact CD1-CE2 4.33Å; R75-F77 HydrophobicContact CB-CD1 4.16Å; R75-F77 HydrophobicContact CB-CD2 4.31Å; R75-F77 HydrophobicContact CB-CE1 3.77Å; R75-F77 HydrophobicContact CB-CE2 3.92Å; R75-F77 HydrophobicContact CB-CG 4.43Å; R75-F77 HydrophobicContact CB-CZ 3.64Å; R75-F77 HydrophobicContact CG-CE1 4.26Å; R75-F77 HydrophobicContact CG-CE2 4.37Å; R75-F77 HydrophobicContact CG-CZ 3.86Å; R75-F77 PolarHBondContact O-N 3.3Å; F77-S79 PolarHBondContact O-N 3.06Å; F77-R80 PolarHBondContact O-N 2.75Å; F77-R80 VanDerWaalsContact O-N 3.16Å; F77-L81 PolarHBondContact O-N 2.8Å
78	Y	96.4	Very high	96.9	Very high	33 Å²	33	77.4 Å²	77.4	13%	0.129	38%	0.378	C	S	.	.	H	α-helix	trans	-54.7	-52.9	-174	175.2	-109.3	0	0	0	113.4	R66 Y69 L72 R73 R75 R80 L81 V82	R66-Y78 WeakPolarHBondContact CA-OH 3.31Å; R66-Y78 VanDerWaalsContact CB-OH 3.28Å; R66-Y78 WeakPolarHBondContact CB-OH 3.46Å; R66-Y78 WeakPolarHBondContact CG-OH 3.47Å; R66-Y78 PolarHBondContact O-OH 3.09Å; R66-Y78 VanDerWaalsContact O-OH 3.13Å; Y69-Y78 VanDerWaalsContact O-CE2 3.25Å; Y69-Y78 WeakPolarHBondContact O-CE2 3.34Å; L72-Y78 HydrophobicContact CB-CD2 4.2Å; L72-Y78 WeakPolarHBondContact O-CB 3.49Å; R73-Y78 HydrophobicContact CB-CE1 4.39Å; R73-Y78 HydrophobicContact CB-CE2 4.43Å; R75-Y78 VanDerWaalsContact O-CB 3.26Å; R75-Y78 WeakPolarHBondContact O-CB 3.41Å; R75-Y78 PolarHBondContact O-N 3.45Å; Y78-R80 PolarHBondContact O-N 3.19Å; Y78-L81 WeakPolarHBondContact O-CB 3.35Å; Y78-L81 PolarHBondContact O-N 2.78Å; Y78-V82 HydrophobicContact CD2-CG2 4.26Å; Y78-V82 HydrophobicContact CE1-CG2 4.31Å; Y78-V82 HydrophobicContact CE2-CG2 3.88Å; Y78-V82 PolarHBondContact O-N 2.89Å
79	S	96.7	Very high	96.9	Very high	92 Å²	92	78.7 Å²	78.7	64%	0.643	39%	0.388	S	S	*	.	H	α-helix	trans	-60.6	-36.6	-179.7	-53.1	0	0	0	0	112.2	F77 K83	F77-S79 PolarHBondContact O-N 3.06Å; S79-K83 VanDerWaalsContact O-CB 3.32Å; S79-K83 WeakPolarHBondContact O-CB 3.41Å; S79-K83 PolarHBondContact O-N 3.05Å
80	R	96.6	Very high	97	Very high	206 Å²	206	78 Å²	78	78%	0.777	39%	0.385	S	S	*	.	H	α-helix	trans	-69.7	-38.3	175.8	-173.9	178.7	180	-176.1	-0.9	111.3	F77 Y78 Y84	F77-R80 PolarHBondContact O-N 2.75Å; F77-R80 VanDerWaalsContact O-N 3.16Å; Y78-R80 PolarHBondContact O-N 3.19Å; R80-Y84 WeakPolarHBondContact O-CB 3.34Å; R80-Y84 PolarHBondContact O-N 3.1Å
81	L	96.9	Very high	97.1	Very high	29 Å²	29	76 Å²	76	15%	0.152	37%	0.373	C	S	.	.	H	α-helix	trans	-64.8	-47.7	177.7	175.8	60.8	0	0	0	111.6	Y69 L72 F77 Y78 Y84 M85	Y69-L81 HydrophobicContact CD1-CD2 3.67Å; Y69-L81 HydrophobicContact CD1-CG 4.49Å; Y69-L81 HydrophobicContact CD2-CD2 3.92Å; Y69-L81 HydrophobicContact CD2-CG 3.93Å; Y69-L81 HydrophobicContact CE1-CD2 3.77Å; Y69-L81 HydrophobicContact CE1-CG 4.36Å; Y69-L81 HydrophobicContact CE2-CD1 4.17Å; Y69-L81 HydrophobicContact CE2-CD2 4Å; Y69-L81 HydrophobicContact CE2-CG 3.77Å; Y69-L81 HydrophobicContact CG-CD2 3.75Å; Y69-L81 HydrophobicContact CG-CG 4.3Å; L72-L81 HydrophobicContact CD1-CD2 3.86Å; F77-L81 PolarHBondContact O-N 2.8Å; Y78-L81 WeakPolarHBondContact O-CB 3.35Å; Y78-L81 PolarHBondContact O-N 2.78Å; L81-Y84 HydrophobicContact CD1-CD1 4.42Å; L81-Y84 WeakPolarHBondContact O-CB 3.37Å; L81-Y84 PolarHBondContact O-N 2.98Å; L81-M85 HydrophobicContact CD1-CG 4.1Å; L81-M85 WeakPolarHBondContact O-CG 3.39Å; L81-M85 PolarHBondContact O-N 3.09Å
82	V	98.1	Very high	97.3	Very high	7 Å²	7	70.1 Å²	70.1	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-60.5	-50.3	176.1	172.1	0	0	0	0	110.3	E62 L65 R66 Y69 Y78 Y84 M85 G86	E62-V82 HydrophobicContact CG-CG1 3.8Å; L65-V82 HydrophobicContact CB-CG1 4.04Å; R66-V82 HydrophobicContact CG-CG1 4.1Å; R66-V82 HydrophobicContact CG-CG2 4.21Å; Y69-V82 HydrophobicContact CD2-CG2 4.43Å; Y78-V82 HydrophobicContact CD2-CG2 4.26Å; Y78-V82 HydrophobicContact CE1-CG2 4.31Å; Y78-V82 HydrophobicContact CE2-CG2 3.88Å; Y78-V82 PolarHBondContact O-N 2.89Å; V82-Y84 VanDerWaalsContact C-N 3.27Å; V82-Y84 PolarHBondContact O-N 3.27Å; V82-M85 PolarHBondContact O-N 3.23Å; V82-G86 PolarHBondContact O-N 2.95Å
83	K	98.1	Very high	97.5	Very high	169 Å²	169	67.5 Å²	67.5	74%	0.735	33%	0.332	S	S	*	.	H	α-helix	trans	-58.8	-40.1	177.1	-175.7	175.5	-176.6	175.6	0	112.2	S79 S87	S79-K83 VanDerWaalsContact O-CB 3.32Å; S79-K83 WeakPolarHBondContact O-CB 3.41Å; S79-K83 PolarHBondContact O-N 3.05Å; K83-S87 WeakPolarHBondContact O-CB 3.44Å; K83-S87 PolarHBondContact O-N 3.29Å; K83-S87 VanDerWaalsContact O-N 3.16Å
84	Y	98.3	Very high	97.6	Very high	27 Å²	27	60 Å²	60	11%	0.106	30%	0.304	C	S	.	.	H	α-helix	trans	-64.9	-50.1	177.9	164.3	-122.3	0	0	0	111.8	K29 D31 R80 L81 V82 G86 S87 K131	K29-Y84 HydrophobicContact CD-CE1 4.2Å; D31-Y84 WeakPolarHBondContact CB-OH 3.37Å; D31-Y84 PolarHBondContact OD1-OH 2.81Å; D31-Y84 PolarHBondContact OD2-OH 2.98Å; R80-Y84 WeakPolarHBondContact O-CB 3.34Å; R80-Y84 PolarHBondContact O-N 3.1Å; L81-Y84 HydrophobicContact CD1-CD1 4.42Å; L81-Y84 WeakPolarHBondContact O-CB 3.37Å; L81-Y84 PolarHBondContact O-N 2.98Å; V82-Y84 VanDerWaalsContact C-N 3.27Å; V82-Y84 PolarHBondContact O-N 3.27Å; Y84-G86 VanDerWaalsContact C-N 3.25Å; Y84-G86 PolarHBondContact O-N 3.36Å; Y84-S87 VanDerWaalsContact O-CB 3.31Å; Y84-S87 WeakPolarHBondContact O-CB 3.37Å; Y84-S87 PolarHBondContact O-N 2.93Å; Y84-S87 PolarHBondContact O-OG 2.9Å; Y84-K131 HydrophobicContact CE2-CD 4.06Å
85	M	98.4	Very high	97.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66.1	-30.4	-179.6	-72	-69.6	-62.2	0	0	112.2	K29 P30 L65 Y69 L81 V82 S87 V90	K29-M85 HydrophobicContact CB-SD 3.97Å; K29-M85 HydrophobicContact CD-SD 3.75Å; K29-M85 HydrophobicContact CG-CE 4.07Å; K29-M85 HydrophobicContact CG-SD 3.6Å; K29-M85 VanDerWaalsContact CG-SD 3.6Å; P30-M85 WeakPolarHBondContact CG-O 3.44Å; L65-M85 HydrophobicContact CD1-CB 3.8Å; L65-M85 HydrophobicContact CD2-CB 3.64Å; L65-M85 HydrophobicContact CG-CB 4.32Å; Y69-M85 HydrophobicContact CE2-CB 4.36Å; Y69-M85 HydrophobicContact CE2-CG 3.82Å; L81-M85 HydrophobicContact CD1-CG 4.1Å; L81-M85 WeakPolarHBondContact O-CG 3.39Å; L81-M85 PolarHBondContact O-N 3.09Å; V82-M85 PolarHBondContact O-N 3.23Å; M85-S87 VanDerWaalsContact C-N 3.31Å; M85-V90 HydrophobicContact CE-CG2 4.14Å
86	G	97.9	Very high	97.9	Very high	28 Å²	28	46.7 Å²	46.7	29%	0.289	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-0.3	173.4	0	0	0	0	0	114.6	Q59 L65 V82 Y84 G88	Q59-G86 PolarHBondContact NE2-O 2.83Å; L65-G86 VanDerWaalsContact CD1-CA 3.49Å; V82-G86 PolarHBondContact O-N 2.95Å; Y84-G86 VanDerWaalsContact C-N 3.25Å; Y84-G86 PolarHBondContact O-N 3.36Å; G86-G88 VanDerWaalsContact C-N 3.29Å; G86-G88 PolarHBondContact O-N 3.28Å
87	S	98.5	Very high	98	Very high	82 Å²	82	40.6 Å²	40.6	57%	0.573	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-7.8	-175.5	69.2	0	0	0	0	114.6	K83 Y84 M85	K83-S87 WeakPolarHBondContact O-CB 3.44Å; K83-S87 PolarHBondContact O-N 3.29Å; K83-S87 VanDerWaalsContact O-N 3.16Å; Y84-S87 VanDerWaalsContact O-CB 3.31Å; Y84-S87 WeakPolarHBondContact O-CB 3.37Å; Y84-S87 PolarHBondContact O-N 2.93Å; Y84-S87 PolarHBondContact O-OG 2.9Å; M85-S87 VanDerWaalsContact C-N 3.31Å
88	G	98.6	Very high	98.2	Very high	6 Å²	6	39.3 Å²	39.3	6%	0.062	21%	0.206	C	C	.	.	S	Bend	trans	-174.6	-177	-178.8	0	0	0	0	0	112.6	Q59 G86	Q59-G88 PolarHBondContact NE2-O 2.63Å; Q59-G88 PolarHBondContact OE1-O 2.85Å; G86-G88 VanDerWaalsContact C-N 3.29Å; G86-G88 PolarHBondContact O-N 3.28Å
89	P	98.8	Very high	98.2	Very high	38 Å²	38	40.7 Å²	40.7	25%	0.247	22%	0.215	C	C	.	.			trans	-71	146.7	-174.5	29.1	-36.2	0	0	0	112	P30 V33 L57 V58	P30-P89 WeakPolarHBondContact CA-O 3.11Å; V33-P89 HydrophobicContact CG1-CG 3.89Å; V33-P89 WeakPolarHBondContact CG2-O 3.23Å; L57-P89 HydrophobicContact CD1-CB 3.93Å; L57-P89 HydrophobicContact CG-CB 4.38Å; V58-P89 WeakPolarHBondContact O-CA 3.4Å
90	V	98.9	Very high	98.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	141.1	178.4	173	0	0	0	0	108.4	A27 V28 P30 L57 V58 M85 W150	A27-V90 HydrophobicContact CB-CG1 3.82Å; V28-V90 WeakPolarHBondContact O-CA 3.45Å; V28-V90 WeakPolarHBondContact O-CG1 3.32Å; P30-V90 HydrophobicContact CG-CG2 3.96Å; L57-V90 WeakPolarHBondContact CA-O 3.17Å; V58-V90 PolarHBondContact N-O 3.28Å; V58-V90 PolarHBondContact O-N 2.81Å; M85-V90 HydrophobicContact CE-CG2 4.14Å; V90-W150 HydrophobicContact CG1-CH2 4.35Å; V90-W150 HydrophobicContact CG1-CZ3 4.33Å
91	V	98.9	Very high	98.4	Very high	8 Å²	8	26.8 Å²	26.8	5%	0.048	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	104.1	168.4	178.3	0	0	0	0	108.2	A27 V28 V33 V38 L55 K56 L57 M93	A27-V91 CarbonylContact C-O 3.56Å; A27-V91 VanDerWaalsContact CA-O 3.28Å; A27-V91 WeakPolarHBondContact CA-O 3.25Å; V28-V91 HydrophobicContact CB-CB 4.04Å; V28-V91 HydrophobicContact CG2-CB 4.21Å; V28-V91 PolarHBondContact N-O 2.97Å; V28-V91 PolarHBondContact O-N 2.96Å; V33-V91 HydrophobicContact CG2-CG2 3.97Å; V38-V91 HydrophobicContact CG1-CG1 4.35Å; V38-V91 HydrophobicContact CG1-CG2 4.02Å; V38-V91 HydrophobicContact CG2-CG2 3.8Å; L55-V91 HydrophobicContact CD1-CG1 3.81Å; L55-V91 HydrophobicContact CG-CG1 4.39Å; K56-V91 WeakPolarHBondContact O-CA 3.41Å; L57-V91 HydrophobicContact CD1-CG2 3.53Å; V91-M93 HydrophobicContact CG1-CG 3.84Å; V91-M93 HydrophobicContact CG1-SD 4.05Å
92	A	98.9	Very high	98.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	138.3	174.1	0	0	0	0	0	109.6	F25 L55 K56 W150 F151	F25-A92 HydrophobicContact CE2-CB 3.95Å; F25-A92 HydrophobicContact CZ-CB 4.33Å; L55-A92 WeakPolarHBondContact CA-O 3.32Å; K56-A92 HydrophobicContact CG-CB 4.2Å; K56-A92 PolarHBondContact N-O 3.15Å; K56-A92 PolarHBondContact O-N 2.95Å; A92-W150 HydrophobicContact CB-CE3 3.75Å; A92-W150 HydrophobicContact CB-CZ3 4.19Å; A92-F151 HydrophobicContact CB-CE2 3.96Å; A92-F151 HydrophobicContact CB-CZ 3.81Å
93	M	98.9	Very high	98.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	151	-174.3	-38.7	-171.8	-84.7	0	0	111	L26 V28 I41 V42 L52 A54 L55 V91	L26-M93 HydrophobicContact CB-CB 4.47Å; L26-M93 HydrophobicContact CB-CE 3.95Å; L26-M93 HydrophobicContact CD1-CE 4.48Å; L26-M93 PolarHBondContact N-O 2.62Å; L26-M93 PolarHBondContact O-N 3.2Å; V28-M93 HydrophobicContact CG2-CE 3.87Å; I41-M93 HydrophobicContact CG2-CE 4.13Å; V42-M93 HydrophobicContact CG2-SD 3.75Å; L52-M93 HydrophobicContact CD1-CB 4.31Å; A54-M93 WeakPolarHBondContact O-CA 3.46Å; L55-M93 HydrophobicContact CD1-CB 4.13Å; L55-M93 HydrophobicContact CD1-CG 3.47Å; L55-M93 VanDerWaalsContact CD1-CG 3.47Å; L55-M93 HydrophobicContact CD1-SD 3.61Å; V91-M93 HydrophobicContact CG1-CG 3.84Å; V91-M93 HydrophobicContact CG1-SD 4.05Å
94	V	98.9	Very high	98.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123.7	168.1	-174.3	0	0	0	0	108.7	R23 T24 V53 A54 I147 F151 L156	R23-V94 HydrophobicContact CB-CG1 4.02Å; R23-V94 HydrophobicContact CG-CG1 4.35Å; T24-V94 WeakPolarHBondContact O-CA 3.36Å; V53-V94 HydrophobicContact CG2-CB 3.8Å; V53-V94 HydrophobicContact CG2-CG1 3.53Å; V53-V94 WeakPolarHBondContact CG2-O 3.35Å; V53-V94 PolarHBondContact N-O 3.33Å; A54-V94 HydrophobicContact CB-CB 3.99Å; A54-V94 HydrophobicContact CB-CG2 3.96Å; A54-V94 PolarHBondContact N-O 2.81Å; A54-V94 PolarHBondContact O-N 3.44Å; V94-I147 HydrophobicContact CG1-CD1 3.73Å; V94-I147 HydrophobicContact CG1-CG1 4Å; V94-I147 HydrophobicContact CG2-CG1 4Å; V94-I147 HydrophobicContact CG2-CG2 4.19Å; V94-F151 HydrophobicContact CG2-CD2 3.55Å; V94-F151 HydrophobicContact CG2-CE2 3.54Å; V94-F151 HydrophobicContact CG2-CG 4.25Å; V94-F151 HydrophobicContact CG2-CZ 4.23Å; V94-L156 HydrophobicContact CB-CD2 4.39Å; V94-L156 HydrophobicContact CG2-CD2 3.98Å
95	W	98.9	Very high	98.6	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	140	178.2	-68.9	86.3	0	0	0	110	R23 T24 L26 V42 F45 E46 F50 K51 L52 V100	R23-W95 CarbonylContact C-O 3.6Å; R23-W95 VanDerWaalsContact CA-O 3.23Å; R23-W95 WeakPolarHBondContact CA-O 3.5Å; T24-W95 HydrophobicContact CG2-CB 4.21Å; T24-W95 PolarHBondContact N-O 3.37Å; T24-W95 PolarHBondContact O-N 3.03Å; T24-W95 VanDerWaalsContact O-N 3.12Å; L26-W95 HydrophobicContact CD1-CG 4.2Å; V42-W95 HydrophobicContact CG1-CH2 4.15Å; V42-W95 HydrophobicContact CG1-CZ2 4.12Å; F45-W95 HydrophobicContact CB-CD2 3.7Å; F45-W95 HydrophobicContact CB-CE3 3.72Å; F45-W95 HydrophobicContact CB-CG 4.49Å; F45-W95 HydrophobicContact CB-CH2 3.71Å; F45-W95 HydrophobicContact CB-CZ2 3.65Å; F45-W95 HydrophobicContact CB-CZ3 3.72Å; F45-W95 HydrophobicContact CG-CD2 4.22Å; F45-W95 HydrophobicContact CG-CZ2 4.38Å; E46-W95 HydrophobicContact CG-CH2 3.59Å; E46-W95 HydrophobicContact CG-CZ3 4.04Å; F50-W95 HydrophobicContact CB-CE3 3.75Å; F50-W95 HydrophobicContact CB-CZ3 4.44Å; F50-W95 VanDerWaalsContact O-CZ3 3.31Å; F50-W95 WeakPolarHBondContact O-CZ3 3.46Å; K51-W95 CarbonylContact O-C 3.57Å; K51-W95 WeakPolarHBondContact O-CA 3.28Å; L52-W95 HydrophobicContact CB-CE3 4.2Å; L52-W95 HydrophobicContact CB-CH2 3.93Å; L52-W95 HydrophobicContact CB-CZ2 4.41Å; L52-W95 HydrophobicContact CB-CZ3 3.83Å; L52-W95 HydrophobicContact CD1-CD2 4.17Å; L52-W95 HydrophobicContact CD1-CH2 4.16Å; L52-W95 HydrophobicContact CD1-CZ2 3.76Å; L52-W95 HydrophobicContact CG-CH2 4.47Å; W95-V100 HydrophobicContact CB-CG2 4.09Å
96	Q	98.8	Very high	98.6	Very high	18 Å²	18	33.1 Å²	33.1	8%	0.084	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	141.2	-179.3	-172.4	-178.6	-60	0	0	110.8	N21 E22 R23 K51 V53	N21-Q96 PolarHBondContact OD1-NE2 2.96Å; N21-Q96 VanDerWaalsContact OD1-NE2 3.09Å; E22-Q96 CarbonylContact O-C 3.48Å; E22-Q96 VanDerWaalsContact O-CA 3.25Å; E22-Q96 WeakPolarHBondContact O-CA 3.18Å; E22-Q96 WeakPolarHBondContact O-CG 3.33Å; R23-Q96 HydrophobicContact CG-CB 3.93Å; R23-Q96 HydrophobicContact CG-CG 3.88Å; K51-Q96 HydrophobicContact CB-CB 4.35Å; K51-Q96 PolarHBondContact N-O 2.93Å; K51-Q96 PolarHBondContact O-N 3.35Å; V53-Q96 HydrophobicContact CG1-CB 3.88Å; V53-Q96 HydrophobicContact CG2-CB 4.39Å
97	G	98.2	Very high	98.6	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.01	18%	0.181	C	C	.	.	S	Bend	trans	159.8	173.1	171.1	0	0	0	0	0	112.7	V20 E22 D99 V100	V20-G97 WeakPolarHBondContact O-CA 3.31Å; E22-G97 PolarHBondContact O-N 3.37Å; G97-D99 PolarHBondContact O-N 2.86Å; G97-V100 VanDerWaalsContact O-CB 3.3Å; G97-V100 WeakPolarHBondContact O-CB 3.4Å; G97-V100 WeakPolarHBondContact O-CG1 3.15Å; G97-V100 PolarHBondContact O-N 3.27Å
98	L	97.8	Very high	98.6	Very high	80 Å²	80	29.8 Å²	29.8	42%	0.419	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	127.5	-179.9	-175.9	64.4	0	0	0	112.1	G19 V20 V100 Y168	G19-L98 WeakPolarHBondContact O-CA 3.25Å; V20-L98 HydrophobicContact CG1-CB 4.3Å; L98-V100 PolarHBondContact O-N 3.15Å; L98-V100 VanDerWaalsContact O-N 3.09Å; L98-Y168 HydrophobicContact CB-CD1 4.49Å; L98-Y168 HydrophobicContact CB-CE1 3.83Å
99	D	97.8	Very high	98.7	Very high	62 Å²	62	30 Å²	30	33%	0.332	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	28.6	-178.1	-65	-23.2	0	0	0	113.5	E22 G97 V101 R102 A103	E22-D99 WeakPolarHBondContact OE1-CA 3.32Å; G97-D99 PolarHBondContact O-N 2.86Å; D99-V101 PolarHBondContact O-N 3.48Å; D99-R102 PolarHBondContact O-N 2.93Å; D99-R102 IonicContact OD2-CZ 2.74Å; D99-R102 IonicContact OD2-NH1 2.7Å; D99-R102 IonicContact OD2-NH2 2.85Å; D99-R102 PolarHBondContact OD2-NH2 3.1Å; D99-A103 VanDerWaalsContact O-CB 3.27Å; D99-A103 WeakPolarHBondContact O-CB 3.43Å; D99-A103 PolarHBondContact O-N 3.42Å
100	V	98.7	Very high	98.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.6	-31.3	-171.5	68.6	0	0	0	0	112.6	E22 T24 F50 W95 G97 L98 S104	E22-V100 HydrophobicContact CB-CG1 4.28Å; E22-V100 HydrophobicContact CG-CG1 4.03Å; E22-V100 VanDerWaalsContact O-CG1 3.28Å; E22-V100 WeakPolarHBondContact O-CG1 3.32Å; E22-V100 PolarHBondContact OE1-N 3.42Å; T24-V100 HydrophobicContact CG2-CG1 4.15Å; T24-V100 HydrophobicContact CG2-CG2 3.8Å; F50-V100 HydrophobicContact CB-CG2 4.48Å; F50-V100 HydrophobicContact CD1-CB 4.1Å; F50-V100 HydrophobicContact CD1-CG2 3.69Å; F50-V100 HydrophobicContact CD2-CG2 4.01Å; F50-V100 HydrophobicContact CE1-CB 3.89Å; F50-V100 HydrophobicContact CE1-CG2 3.82Å; F50-V100 HydrophobicContact CE2-CG2 4.1Å; F50-V100 HydrophobicContact CG-CG2 3.81Å; F50-V100 HydrophobicContact CZ-CB 4.29Å; F50-V100 HydrophobicContact CZ-CG2 4.03Å; W95-V100 HydrophobicContact CB-CG2 4.09Å; G97-V100 VanDerWaalsContact O-CB 3.3Å; G97-V100 WeakPolarHBondContact O-CB 3.4Å; G97-V100 WeakPolarHBondContact O-CG1 3.15Å; G97-V100 PolarHBondContact O-N 3.27Å; L98-V100 PolarHBondContact O-N 3.15Å; L98-V100 VanDerWaalsContact O-N 3.09Å; V100-S104 WeakPolarHBondContact O-CA 3.47Å; V100-S104 WeakPolarHBondContact O-CB 3.37Å; V100-S104 PolarHBondContact O-N 3.48Å; V100-S104 PolarHBondContact O-OG 2.84Å
101	V	98.6	Very high	98.6	Very high	6 Å²	6	33.7 Å²	33.7	4%	0.036	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-56.1	175.4	176.1	0	0	0	0	110.1	E22 D99 S104 R105 V140 A143	E22-V101 HydrophobicContact CG-CG2 4.21Å; E22-V101 WeakPolarHBondContact OE1-CB 3.39Å; E22-V101 WeakPolarHBondContact OE1-CG2 2.97Å; E22-V101 PolarHBondContact OE1-N 2.95Å; D99-V101 PolarHBondContact O-N 3.48Å; V101-S104 PolarHBondContact O-N 3.19Å; V101-R105 PolarHBondContact O-N 2.92Å; V101-R105 VanDerWaalsContact O-N 3.16Å; V101-V140 HydrophobicContact CG2-CG2 4.26Å; V101-A143 HydrophobicContact CG2-CB 3.91Å
102	R	98.5	Very high	98.5	Very high	169 Å²	169	36.5 Å²	36.5	64%	0.638	20%	0.197	S	C	*	.	H	α-helix	trans	-63.6	-46.9	-179.3	-174.7	-165.9	67.2	-163.3	-9.3	111.2	D99 S104 R105 A106	D99-R102 PolarHBondContact O-N 2.93Å; D99-R102 IonicContact OD2-CZ 2.74Å; D99-R102 IonicContact OD2-NH1 2.7Å; D99-R102 IonicContact OD2-NH2 2.85Å; D99-R102 PolarHBondContact OD2-NH2 3.1Å; R102-S104 VanDerWaalsContact C-N 3.32Å; R102-S104 PolarHBondContact O-N 2.86Å; R102-R105 PolarHBondContact O-N 3.47Å; R102-A106 PolarHBondContact O-N 2.95Å; R102-A106 VanDerWaalsContact O-N 3.15Å
103	A	98.6	Very high	98.4	Very high	20 Å²	20	36.9 Å²	36.9	17%	0.165	20%	0.2	C	C	.	.	H	α-helix	trans	-65.5	-36.1	-178.5	0	0	0	0	0	112	F50 D99 A106 L107	F50-A103 HydrophobicContact CE2-CB 4.12Å; F50-A103 HydrophobicContact CZ-CB 3.58Å; D99-A103 VanDerWaalsContact O-CB 3.27Å; D99-A103 WeakPolarHBondContact O-CB 3.43Å; D99-A103 PolarHBondContact O-N 3.42Å; A103-A106 PolarHBondContact O-N 2.97Å; A103-L107 WeakPolarHBondContact O-CG 3.46Å; A103-L107 PolarHBondContact O-N 3.41Å
104	S	98.8	Very high	98.3	Very high	1 Å²	1	40 Å²	40	1%	0.007	23%	0.232	C	C	.	.	H	α-helix	trans	-65	-42	175.2	-66.1	0	0	0	0	111.9	F45 V100 V101 R102 A106 L107 I108	F45-S104 WeakPolarHBondContact CE1-OG 3.31Å; V100-S104 WeakPolarHBondContact O-CA 3.47Å; V100-S104 WeakPolarHBondContact O-CB 3.37Å; V100-S104 PolarHBondContact O-N 3.48Å; V100-S104 PolarHBondContact O-OG 2.84Å; V101-S104 PolarHBondContact O-N 3.19Å; R102-S104 VanDerWaalsContact C-N 3.32Å; R102-S104 PolarHBondContact O-N 2.86Å; S104-A106 VanDerWaalsContact C-N 3.29Å; S104-A106 PolarHBondContact O-N 3.36Å; S104-L107 PolarHBondContact O-N 2.84Å; S104-I108 WeakPolarHBondContact O-CB 3.35Å; S104-I108 WeakPolarHBondContact O-CD1 3.48Å; S104-I108 WeakPolarHBondContact O-CG1 3.36Å; S104-I108 PolarHBondContact O-N 3.41Å
105	R	98.8	Very high	98.3	Very high	104 Å²	104	46.1 Å²	46.1	39%	0.392	27%	0.265	S	S	.	.	H	α-helix	trans	-58.4	-42.1	172.9	-73.3	-165.2	67.8	94.2	-2	112.6	V101 R102 I108 G109	V101-R105 PolarHBondContact O-N 2.92Å; V101-R105 VanDerWaalsContact O-N 3.16Å; R102-R105 PolarHBondContact O-N 3.47Å; R105-I108 PolarHBondContact O-N 2.68Å; R105-G109 PolarHBondContact O-N 3.05Å
106	A	98.7	Very high	98.3	Very high	72 Å²	72	46.7 Å²	46.7	60%	0.595	27%	0.27	S	S	*	.	H	α-helix	trans	-64	-41.1	176.9	0	0	0	0	0	112	R102 A103 S104	R102-A106 PolarHBondContact O-N 2.95Å; R102-A106 VanDerWaalsContact O-N 3.15Å; A103-A106 PolarHBondContact O-N 2.97Å; S104-A106 VanDerWaalsContact C-N 3.29Å; S104-A106 PolarHBondContact O-N 3.36Å
107	L	98.8	Very high	98.2	Very high	35 Å²	35	50.2 Å²	50.2	18%	0.183	29%	0.293	C	S	.	.	H	α-helix	trans	-65.6	-36.8	174.3	-74.7	173.8	0	0	0	112.8	F45 K48 F50 A103 S104 T120 I121	F45-L107 HydrophobicContact CD1-CD1 3.97Å; F45-L107 HydrophobicContact CE1-CB 4.39Å; F45-L107 HydrophobicContact CE1-CD1 3.88Å; K48-L107 HydrophobicContact CB-CD1 4.34Å; K48-L107 HydrophobicContact CG-CD1 4.14Å; F50-L107 HydrophobicContact CE2-CD1 4.08Å; A103-L107 WeakPolarHBondContact O-CG 3.46Å; A103-L107 PolarHBondContact O-N 3.41Å; S104-L107 PolarHBondContact O-N 2.84Å; L107-T120 CarbonylContact O-C 3.59Å; L107-T120 WeakPolarHBondContact O-CA 3.18Å; L107-I121 PolarHBondContact O-N 3.06Å
108	I	98.9	Very high	98.3	Very high	4 Å²	4	56 Å²	56	2%	0.021	33%	0.33	C	S	.	.	H	α-helix	trans	-68.1	-42.9	179.1	-72.9	166.5	0	0	0	111.2	L26 F45 S104 R105 I121 R122 I134	L26-I108 HydrophobicContact CD2-CD1 3.99Å; F45-I108 HydrophobicContact CZ-CG1 4.27Å; S104-I108 WeakPolarHBondContact O-CB 3.35Å; S104-I108 WeakPolarHBondContact O-CD1 3.48Å; S104-I108 WeakPolarHBondContact O-CG1 3.36Å; S104-I108 PolarHBondContact O-N 3.41Å; R105-I108 PolarHBondContact O-N 2.68Å; I108-I121 HydrophobicContact CG1-CD1 4.17Å; I108-I121 PolarHBondContact O-N 3.13Å; I108-R122 HydrophobicContact CG2-CG 4.26Å; I108-R122 WeakPolarHBondContact O-CB 3.5Å; I108-R122 WeakPolarHBondContact O-CG 3.37Å; I108-R122 PolarHBondContact O-N 2.61Å; I108-I134 HydrophobicContact CB-CG2 4.36Å; I108-I134 HydrophobicContact CD1-CD1 4.4Å; I108-I134 HydrophobicContact CD1-CG2 4.45Å; I108-I134 HydrophobicContact CG1-CD1 4.18Å; I108-I134 HydrophobicContact CG1-CG2 3.98Å; I108-I134 HydrophobicContact CG2-CG2 3.64Å
109	G	98.8	Very high	98.3	Very high	12 Å²	12	54.3 Å²	54.3	12%	0.124	33%	0.332	C	S	.	.			trans	89	177	-174.4	0	0	0	0	0	113.6	R105 R122	R105-G109 PolarHBondContact O-N 3.05Å; G109-R122 PolarHBondContact O-NH1 2.67Å; G109-R122 VanDerWaalsContact O-NH1 3.07Å
110	A	98.4	Very high	98.3	Very high	37 Å²	37	51.9 Å²	51.9	31%	0.306	32%	0.32	S	S	.	.			trans	-54.6	154.9	-176.9	0	0	0	0	0	112.9	D112 D115 A116 R122	A110-D112 VanDerWaalsContact C-N 3.35Å; A110-D115 HydrophobicContact CB-CB 3.91Å; A110-A116 HydrophobicContact CB-CB 4.23Å; A110-R122 WeakPolarHBondContact O-CD 3.38Å; A110-R122 PolarHBondContact O-NH1 3.39Å
111	T	97	Very high	98.3	Very high	78 Å²	78	51.9 Å²	51.9	48%	0.479	32%	0.32	S	S	.	.	S	Bend	trans	-62.2	-43.2	180	-61	0	0	0	0	112.1	P113 R122 V129 N132	T111-P113 WeakPolarHBondContact O-CD 3.28Å; T111-R122 VanDerWaalsContact CA-NH1 3.29Å; T111-V129 HydrophobicContact CG2-CG2 4.18Å; T111-N132 PolarHBondContact O-ND2 3.31Å
112	D	97.7	Very high	98.4	Very high	66 Å²	66	52.4 Å²	52.4	35%	0.353	32%	0.321	S	S	.	.	S	Bend	trans	-82.8	120	169.1	-162.1	-36.4	0	0	0	109.4	A110 G114 D115 A116	A110-D112 VanDerWaalsContact C-N 3.35Å; D112-G114 PolarHBondContact O-N 2.91Å; D112-G114 PolarHBondContact OD1-N 3.21Å; D112-D115 PolarHBondContact O-N 2.61Å; D112-D115 VanDerWaalsContact O-N 3.09Å; D112-A116 PolarHBondContact O-N 3.06Å
113	P	97.2	Very high	98.4	Very high	9 Å²	9	45.7 Å²	45.7	6%	0.058	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-56.8	-27.4	174.1	-26.4	36.9	0	0	0	114.3	T111 D115 A116 C126 N132	T111-P113 WeakPolarHBondContact O-CD 3.28Å; P113-D115 PolarHBondContact O-N 3.29Å; P113-A116 WeakPolarHBondContact O-CB 3.46Å; P113-A116 PolarHBondContact O-N 3.48Å; P113-A116 VanDerWaalsContact O-N 3.11Å; P113-C126 HydrophobicContact CB-CB 3.59Å; P113-C126 HydrophobicContact CG-CB 3.3Å; P113-N132 HydrophobicContact CG-CB 4.11Å
114	G	97	Very high	98.4	Very high	65 Å²	65	47.8 Å²	47.8	67%	0.67	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-62.5	-26.7	175.8	0	0	0	0	0	113.6	D112	D112-G114 PolarHBondContact O-N 2.91Å; D112-G114 PolarHBondContact OD1-N 3.21Å
115	D	98.3	Very high	98.4	Very high	128 Å²	128	49.9 Å²	49.9	68%	0.684	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-100.4	-1.4	176.7	-61.4	-38.9	0	0	0	112.6	A110 D112 P113	A110-D115 HydrophobicContact CB-CB 3.91Å; D112-D115 PolarHBondContact O-N 2.61Å; D112-D115 VanDerWaalsContact O-N 3.09Å; P113-D115 PolarHBondContact O-N 3.29Å
116	A	98.3	Very high	98.4	Very high	13 Å²	13	45.6 Å²	45.6	11%	0.107	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-84.7	129.4	-177.6	0	0	0	0	0	110.7	A110 D112 P113 R122	A110-A116 HydrophobicContact CB-CB 4.23Å; D112-A116 PolarHBondContact O-N 3.06Å; P113-A116 WeakPolarHBondContact O-CB 3.46Å; P113-A116 PolarHBondContact O-N 3.48Å; P113-A116 VanDerWaalsContact O-N 3.11Å; A116-R122 HydrophobicContact CB-CB 3.94Å
117	T	98.4	Very high	98.3	Very high	93 Å²	93	48.3 Å²	48.3	57%	0.571	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-74.4	147.7	-177.2	53.3	0	0	0	0	112.1	G119 T120	T117-G119 PolarHBondContact O-N 3.36Å; T117-T120 WeakPolarHBondContact O-CB 3.5Å; T117-T120 WeakPolarHBondContact O-CG2 3.27Å; T117-T120 PolarHBondContact O-N 3.28Å; T117-T120 VanDerWaalsContact O-N 3.13Å; T117-T120 PolarHBondContact O-OG1 3.16Å; T117-T120 WeakPolarHBondContact OG1-CG2 3.37Å
118	P	98.6	Very high	98.2	Very high	121 Å²	121	53 Å²	53	79%	0.786	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	139.4	169.6	-26.8	35.4	0	0	0	111.8
119	G	98.2	Very high	98.1	Very high	45 Å²	45	56.4 Å²	56.4	46%	0.464	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.1	-16.2	-173	0	0	0	0	0	114.4	R44 T117 D124	R44-G119 PolarHBondContact NH1-O 2.89Å; T117-G119 PolarHBondContact O-N 3.36Å; G119-D124 WeakPolarHBondContact CA-OD2 3.37Å; G119-D124 PolarHBondContact N-OD1 2.93Å
120	T	98.9	Very high	97.9	Very high	12 Å²	12	57.9 Å²	57.9	7%	0.074	37%	0.374	C	S	.	.	S	Bend	trans	-81.9	156.8	168.5	68.7	0	0	0	0	110.8	R44 L107 T117 R122 G123 D124	R44-T120 PolarHBondContact NH1-O 2.91Å; L107-T120 CarbonylContact O-C 3.59Å; L107-T120 WeakPolarHBondContact O-CA 3.18Å; T117-T120 WeakPolarHBondContact O-CB 3.5Å; T117-T120 WeakPolarHBondContact O-CG2 3.27Å; T117-T120 PolarHBondContact O-N 3.28Å; T117-T120 VanDerWaalsContact O-N 3.13Å; T117-T120 PolarHBondContact O-OG1 3.16Å; T117-T120 WeakPolarHBondContact OG1-CG2 3.37Å; T120-R122 VanDerWaalsContact C-N 3.3Å; T120-R122 PolarHBondContact O-N 3.31Å; T120-G123 PolarHBondContact O-N 2.91Å; T120-G123 PolarHBondContact OG1-N 3.42Å; T120-D124 WeakPolarHBondContact O-CB 3.23Å; T120-D124 VanDerWaalsContact O-CG 3.23Å; T120-D124 PolarHBondContact O-N 2.98Å
121	I	98.9	Very high	97.9	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-57.8	-45	-179.9	-67.5	166.1	0	0	0	110.8	I41 F45 L107 I108 F125 V133 I134	I41-I121 HydrophobicContact CD1-CG2 4.38Å; I41-I121 HydrophobicContact CG1-CG2 4.1Å; I41-I121 HydrophobicContact CG2-CD1 4.37Å; F45-I121 HydrophobicContact CE2-CD1 3.7Å; F45-I121 HydrophobicContact CZ-CD1 3.92Å; L107-I121 PolarHBondContact O-N 3.06Å; I108-I121 HydrophobicContact CG1-CD1 4.17Å; I108-I121 PolarHBondContact O-N 3.13Å; I121-F125 HydrophobicContact CG2-CD2 4.21Å; I121-F125 WeakPolarHBondContact O-CB 3.43Å; I121-F125 VanDerWaalsContact O-CD2 3.23Å; I121-F125 WeakPolarHBondContact O-CD2 3.28Å; I121-F125 PolarHBondContact O-N 3.18Å; I121-F125 VanDerWaalsContact O-N 3.1Å; I121-V133 HydrophobicContact CG2-CG2 3.82Å; I121-I134 HydrophobicContact CD1-CD1 3.92Å; I121-I134 HydrophobicContact CG2-CG2 3.88Å
122	R	98.9	Very high	97.9	Very high	17 Å²	17	57.5 Å²	57.5	6%	0.064	36%	0.358	C	S	.	.	H	α-helix	trans	-75.1	-37.6	-179.2	-69.7	173.6	179.9	154.9	-0	112.6	I108 G109 A110 T111 A116 T120 D124 C126 N132 I134	I108-R122 HydrophobicContact CG2-CG 4.26Å; I108-R122 WeakPolarHBondContact O-CB 3.5Å; I108-R122 WeakPolarHBondContact O-CG 3.37Å; I108-R122 PolarHBondContact O-N 2.61Å; G109-R122 PolarHBondContact O-NH1 2.67Å; G109-R122 VanDerWaalsContact O-NH1 3.07Å; A110-R122 WeakPolarHBondContact O-CD 3.38Å; A110-R122 PolarHBondContact O-NH1 3.39Å; T111-R122 VanDerWaalsContact CA-NH1 3.29Å; A116-R122 HydrophobicContact CB-CB 3.94Å; T120-R122 VanDerWaalsContact C-N 3.3Å; T120-R122 PolarHBondContact O-N 3.31Å; R122-D124 VanDerWaalsContact C-N 3.28Å; R122-D124 PolarHBondContact O-N 3.26Å; R122-C126 HydrophobicContact CB-CB 4.32Å; R122-C126 WeakPolarHBondContact O-CA 3.2Å; R122-C126 VanDerWaalsContact O-CB 3.25Å; R122-C126 WeakPolarHBondContact O-CB 3.4Å; R122-C126 PolarHBondContact O-N 2.74Å; R122-N132 HydrophobicContact CG-CB 4.34Å; R122-N132 PolarHBondContact NE-O 3.33Å; R122-I134 PolarHBondContact NH2-O 3.39Å
123	G	98.7	Very high	97.9	Very high	27 Å²	27	54.3 Å²	54.3	28%	0.278	34%	0.342	S	S	.	.	H	α-helix	trans	-63.6	-35.4	176	0	0	0	0	0	112.6	T120	T120-G123 PolarHBondContact O-N 2.91Å; T120-G123 PolarHBondContact OG1-N 3.42Å
124	D	98.8	Very high	98	Very high	65 Å²	65	53.9 Å²	53.9	35%	0.348	34%	0.339	S	S	.	.	H	α-helix	trans	-84.1	-29	-179	-66.1	-19	0	0	0	113.4	R44 G119 T120 R122	R44-D124 IonicContact CZ-OD2 3.37Å; R44-D124 IonicContact NH1-OD2 2.68Å; R44-D124 PolarHBondContact NH1-OD2 2.96Å; R44-D124 IonicContact NH2-OD2 3.45Å; R44-D124 PolarHBondContact NH2-OD2 2.84Å; G119-D124 WeakPolarHBondContact CA-OD2 3.37Å; G119-D124 PolarHBondContact N-OD1 2.93Å; T120-D124 WeakPolarHBondContact O-CB 3.23Å; T120-D124 VanDerWaalsContact O-CG 3.23Å; T120-D124 PolarHBondContact O-N 2.98Å; R122-D124 VanDerWaalsContact C-N 3.28Å; R122-D124 PolarHBondContact O-N 3.26Å
125	F	98.8	Very high	98.1	Very high	45 Å²	45	52.1 Å²	52.1	20%	0.197	31%	0.313	C	S	.	.	H	α-helix	trans	-126.4	-1.4	-167.2	-54	-55.4	0	0	0	115.5	R35 L37 E40 I121	R35-F125 PolarHBondContact NH1-O 3.19Å; R35-F125 PolarHBondContact NH2-O 2.7Å; L37-F125 HydrophobicContact CD1-CB 3.94Å; L37-F125 HydrophobicContact CD1-CG 4.29Å; L37-F125 HydrophobicContact CD2-CD1 4.2Å; L37-F125 HydrophobicContact CD2-CE1 4.5Å; L37-F125 HydrophobicContact CD2-CG 4.35Å; E40-F125 HydrophobicContact CG-CE1 4.33Å; E40-F125 HydrophobicContact CG-CE2 3.57Å; E40-F125 HydrophobicContact CG-CZ 3.36Å; I121-F125 HydrophobicContact CG2-CD2 4.21Å; I121-F125 WeakPolarHBondContact O-CB 3.43Å; I121-F125 VanDerWaalsContact O-CD2 3.23Å; I121-F125 WeakPolarHBondContact O-CD2 3.28Å; I121-F125 PolarHBondContact O-N 3.18Å; I121-F125 VanDerWaalsContact O-N 3.1Å
126	C	98.6	Very high	98.1	Very high	14 Å²	14	46.4 Å²	46.4	10%	0.095	28%	0.284	C	S	.	.			trans	-124.8	156.7	-175.9	-55.6	0	0	0	0	111.5	P113 R122 N132 V133	P113-C126 HydrophobicContact CB-CB 3.59Å; P113-C126 HydrophobicContact CG-CB 3.3Å; R122-C126 HydrophobicContact CB-CB 4.32Å; R122-C126 WeakPolarHBondContact O-CA 3.2Å; R122-C126 VanDerWaalsContact O-CB 3.25Å; R122-C126 WeakPolarHBondContact O-CB 3.4Å; R122-C126 PolarHBondContact O-N 2.74Å; C126-N132 VanDerWaalsContact SG-CA 3.56Å; C126-V133 WeakPolarHBondContact SG-CG1 3.43Å; C126-V133 WeakPolarHBondContact SG-CG2 3.35Å
127	V	98.1	Very high	98.1	Very high	128 Å²	128	45.8 Å²	45.8	78%	0.776	28%	0.279	S	S	*	.	S	Bend	trans	-123.6	-42.8	179	-177.2	0	0	0	0	110.7
128	E	96.6	Very high	98.1	Very high	134 Å²	134	45.4 Å²	45.4	63%	0.626	27%	0.274	S	S	*	.	S	Bend	trans	-123	146.7	-177.2	-65.4	-175.2	167.4	0	0	112.4	G130 K131	E128-G130 PolarHBondContact O-N 3.39Å; E128-G130 VanDerWaalsContact O-N 3.16Å; E128-K131 CarbonylContact O-C 3.33Å; E128-K131 PolarHBondContact O-N 2.89Å
129	V	95.8	Very high	98	Very high	75 Å²	75	41.3 Å²	41.3	46%	0.455	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-55.2	-34.3	-179.5	66.8	0	0	0	0	113.9	T111 K131	T111-V129 HydrophobicContact CG2-CG2 4.18Å; V129-K131 PolarHBondContact O-N 3.43Å
130	G	94.9	Very high	98	Very high	44 Å²	44	41.3 Å²	41.3	45%	0.454	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-71.4	-13.6	178.9	0	0	0	0	0	114.6	E128	E128-G130 PolarHBondContact O-N 3.39Å; E128-G130 VanDerWaalsContact O-N 3.16Å
131	K	97.5	Very high	97.9	Very high	100 Å²	100	47 Å²	47	44%	0.435	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-134.3	55.1	-177.3	-61.7	-63.4	178.4	-175.8	0	110.4	D31 Y84 E128 V129	D31-K131 HydrophobicContact CB-CD 4.15Å; D31-K131 VanDerWaalsContact OD2-CA 3.26Å; D31-K131 WeakPolarHBondContact OD2-CA 3.42Å; Y84-K131 HydrophobicContact CE2-CD 4.06Å; E128-K131 CarbonylContact O-C 3.33Å; E128-K131 PolarHBondContact O-N 2.89Å; V129-K131 PolarHBondContact O-N 3.43Å
132	N	98.2	Very high	97.8	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.032	27%	0.266	C	S	.	.			trans	-96.6	23.8	-174.2	72.6	-5	0	0	0	114.7	K29 T111 P113 R122 C126 I134	K29-N132 PolarHBondContact NZ-OD1 2.85Å; T111-N132 PolarHBondContact O-ND2 3.31Å; P113-N132 HydrophobicContact CG-CB 4.11Å; R122-N132 HydrophobicContact CG-CB 4.34Å; R122-N132 PolarHBondContact NE-O 3.33Å; C126-N132 VanDerWaalsContact SG-CA 3.56Å; N132-I134 PolarHBondContact O-N 3.16Å
133	V	98.3	Very high	97.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.263	C	S	.	.			trans	55.5	-27.9	166.9	-52.4	0	0	0	0	120.4	K29 D31 L37 I41 I121 C126	K29-V133 WeakPolarHBondContact CB-O 3.47Å; K29-V133 PolarHBondContact N-O 3.31Å; D31-V133 WeakPolarHBondContact OD1-CA 3.44Å; D31-V133 WeakPolarHBondContact OD2-CA 3.12Å; D31-V133 WeakPolarHBondContact OD2-CG1 3.48Å; D31-V133 PolarHBondContact OD2-N 3.21Å; L37-V133 HydrophobicContact CD1-CG1 4.01Å; I41-V133 HydrophobicContact CD1-CG2 4.45Å; I121-V133 HydrophobicContact CG2-CG2 3.82Å; C126-V133 WeakPolarHBondContact SG-CG1 3.43Å; C126-V133 WeakPolarHBondContact SG-CG2 3.35Å
134	I	98.8	Very high	97.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	145.1	-171.1	-163.7	173.2	0	0	0	111.8	A27 K29 I41 F45 I108 I121 R122 N132	A27-I134 CarbonylContact O-C 3.53Å; A27-I134 WeakPolarHBondContact O-CA 3.38Å; A27-I134 WeakPolarHBondContact O-CG1 3.5Å; K29-I134 WeakPolarHBondContact CE-O 3.26Å; I41-I134 HydrophobicContact CD1-CD1 4.38Å; I41-I134 HydrophobicContact CG2-CD1 3.46Å; I41-I134 VanDerWaalsContact CG2-CD1 3.46Å; F45-I134 HydrophobicContact CE2-CD1 4.1Å; F45-I134 HydrophobicContact CZ-CD1 4.42Å; I108-I134 HydrophobicContact CB-CG2 4.36Å; I108-I134 HydrophobicContact CD1-CD1 4.4Å; I108-I134 HydrophobicContact CD1-CG2 4.45Å; I108-I134 HydrophobicContact CG1-CD1 4.18Å; I108-I134 HydrophobicContact CG1-CG2 3.98Å; I108-I134 HydrophobicContact CG2-CG2 3.64Å; I121-I134 HydrophobicContact CD1-CD1 3.92Å; I121-I134 HydrophobicContact CG2-CG2 3.88Å; R122-I134 PolarHBondContact NH2-O 3.39Å; N132-I134 PolarHBondContact O-N 3.16Å
135	H	98.8	Very high	97.6	Very high	28 Å²	28	49.9 Å²	49.9	13%	0.13	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	149.1	166.1	173.1	78.8	0	0	0	109.8	F25 L26 A27 H68 E146	F25-H135 AromaticContact CD1-CD2 3.7Å; F25-H135 AromaticContact CE1-CD2 3.69Å; L26-H135 WeakPolarHBondContact CA-O 3.38Å; A27-H135 HydrophobicContact CB-CB 4.3Å; A27-H135 PolarHBondContact N-O 3.46Å; A27-H135 PolarHBondContact O-N 2.96Å; H68-H135 AromaticContact CE1-CD2 3.94Å; H68-H135 AromaticContact CE1-NE2 3.57Å; H68-H135 AromaticContact NE2-CD2 3.94Å; H68-H135 AromaticContact NE2-CE1 3.91Å; H68-H135 AromaticContact NE2-NE2 3.76Å; H135-E146 IonicContact CD2-OE2 3.28Å; H135-E146 IonicContact CE1-OE1 3.33Å; H135-E146 IonicContact CE1-OE2 2.61Å; H135-E146 IonicContact NE2-OE1 3.83Å; H135-E146 PolarHBondContact NE2-OE1 2.93Å; H135-E146 IonicContact NE2-OE2 3.84Å; H135-E146 PolarHBondContact NE2-OE2 3.03Å
136	G	98.6	Very high	97.6	Very high	7 Å²	7	48.1 Å²	48.1	7%	0.072	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	142.5	167.5	0	0	0	0	0	110	F25 L26	F25-G136 WeakPolarHBondContact O-CA 3.31Å; L26-G136 VanDerWaalsContact CD2-CA 3.44Å
137	S	98.6	Very high	97.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.255	C	S	.	.			trans	-54.5	144.9	-179.8	-45.8	0	0	0	0	111.7	F25 A143 E146	F25-S137 WeakPolarHBondContact CB-OG 3.5Å; F25-S137 PolarHBondContact N-OG 3.41Å; F25-S137 PolarHBondContact O-N 3.37Å; F25-S137 PolarHBondContact O-OG 3.15Å; S137-A143 WeakPolarHBondContact OG-CA 3.39Å; S137-E146 WeakPolarHBondContact CA-OE2 3.29Å; S137-E146 WeakPolarHBondContact CB-OE2 3.13Å; S137-E146 PolarHBondContact OG-OE2 2.71Å
138	D	97.6	Very high	97.6	Very high	86 Å²	86	45.1 Å²	45.1	46%	0.46	25%	0.248	S	C	.	.	S	Bend	trans	-96.3	-15.2	-172.8	66.9	-2.5	0	0	0	115.6	S142	D138-S142 WeakPolarHBondContact OD1-CB 3.38Å; D138-S142 PolarHBondContact OD1-OG 2.75Å
139	S	97.4	Very high	97.7	Very high	34 Å²	34	41.4 Å²	41.4	24%	0.238	23%	0.231	C	C	.	.	S	Bend	trans	-151.1	165.5	-178.6	58.6	0	0	0	0	109.2	E141 S142 A143	S139-E141 WeakPolarHBondContact CB-OE2 3.28Å; S139-E141 PolarHBondContact O-N 3.1Å; S139-S142 PolarHBondContact O-N 3.45Å; S139-S142 VanDerWaalsContact OG-CB 3.28Å; S139-S142 WeakPolarHBondContact OG-CB 3.25Å; S139-S142 PolarHBondContact OG-N 3.07Å; S139-S142 PolarHBondContact OG-OG 2.93Å; S139-S142 VanDerWaalsContact OG-OG 3.07Å; S139-A143 WeakPolarHBondContact O-CB 3.44Å; S139-A143 PolarHBondContact O-N 2.65Å
140	V	97.2	Very high	97.8	Very high	45 Å²	45	38.2 Å²	38.2	27%	0.273	21%	0.211	S	C	.	.	H	α-helix	trans	-64.8	-36.8	176.8	175.2	0	0	0	0	109.8	V101 A143 Q144	V101-V140 HydrophobicContact CG2-CG2 4.26Å; V140-A143 WeakPolarHBondContact O-CB 3.43Å; V140-A143 PolarHBondContact O-N 3.05Å; V140-Q144 WeakPolarHBondContact O-CG 3.34Å; V140-Q144 PolarHBondContact O-N 3.1Å
141	E	96.4	Very high	98	Very high	133 Å²	133	36.7 Å²	36.7	62%	0.621	19%	0.192	S	C	*	.	H	α-helix	trans	-64.5	-48.2	177.2	-62	75	-167	0	0	111.2	S139 A143 Q144 R145	S139-E141 WeakPolarHBondContact CB-OE2 3.28Å; S139-E141 PolarHBondContact O-N 3.1Å; E141-A143 VanDerWaalsContact C-N 3.29Å; E141-A143 PolarHBondContact O-N 3.26Å; E141-Q144 PolarHBondContact O-N 3.45Å; E141-R145 PolarHBondContact O-N 3.06Å; E141-R145 VanDerWaalsContact O-N 3.15Å
142	S	96.9	Very high	98	Very high	5 Å²	5	38.4 Å²	38.4	4%	0.035	20%	0.196	C	C	.	.	H	α-helix	trans	-60.7	-40	173.2	-70.9	0	0	0	0	111.5	D138 S139 R145 E146	D138-S142 WeakPolarHBondContact OD1-CB 3.38Å; D138-S142 PolarHBondContact OD1-OG 2.75Å; S139-S142 PolarHBondContact O-N 3.45Å; S139-S142 VanDerWaalsContact OG-CB 3.28Å; S139-S142 WeakPolarHBondContact OG-CB 3.25Å; S139-S142 PolarHBondContact OG-N 3.07Å; S139-S142 PolarHBondContact OG-OG 2.93Å; S139-S142 VanDerWaalsContact OG-OG 3.07Å; S142-R145 PolarHBondContact O-N 3.47Å; S142-R145 PolarHBondContact OG-NH2 2.86Å; S142-R145 VanDerWaalsContact OG-NH2 3.1Å; S142-E146 VanDerWaalsContact O-CB 3.25Å; S142-E146 WeakPolarHBondContact O-CB 3.35Å; S142-E146 WeakPolarHBondContact O-CG 3.44Å; S142-E146 PolarHBondContact O-N 3.28Å
143	A	98.3	Very high	97.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.4	-46.1	178.1	0	0	0	0	0	112.3	R23 V101 S137 S139 V140 E141 R145 E146 I147	R23-A143 WeakPolarHBondContact O-CB 3.44Å; V101-A143 HydrophobicContact CG2-CB 3.91Å; S137-A143 WeakPolarHBondContact OG-CA 3.39Å; S139-A143 WeakPolarHBondContact O-CB 3.44Å; S139-A143 PolarHBondContact O-N 2.65Å; V140-A143 WeakPolarHBondContact O-CB 3.43Å; V140-A143 PolarHBondContact O-N 3.05Å; E141-A143 VanDerWaalsContact C-N 3.29Å; E141-A143 PolarHBondContact O-N 3.26Å; A143-R145 PolarHBondContact O-N 2.81Å; A143-E146 PolarHBondContact O-N 2.74Å; A143-I147 WeakPolarHBondContact O-CB 3.38Å; A143-I147 WeakPolarHBondContact O-CD1 3.45Å; A143-I147 WeakPolarHBondContact O-CG1 3.25Å; A143-I147 PolarHBondContact O-N 2.76Å
144	Q	96.8	Very high	97.7	Very high	76 Å²	76	49.9 Å²	49.9	36%	0.355	25%	0.253	S	S	.	.	H	α-helix	trans	-59.2	-48.2	177.4	-72.7	174.4	-1.6	0	0	111.7	Y17 V140 E141 A148	Y17-Q144 HydrophobicContact CD2-CG 3.95Å; Y17-Q144 HydrophobicContact CE2-CG 4.45Å; V140-Q144 WeakPolarHBondContact O-CG 3.34Å; V140-Q144 PolarHBondContact O-N 3.1Å; E141-Q144 PolarHBondContact O-N 3.45Å; Q144-A148 WeakPolarHBondContact O-CB 3.31Å; Q144-A148 PolarHBondContact O-N 2.89Å; Q144-A148 VanDerWaalsContact O-N 3.09Å
145	R	97.6	Very high	97.6	Very high	87 Å²	87	51.9 Å²	51.9	33%	0.328	26%	0.262	S	S	.	.	H	α-helix	trans	-60.4	-48.4	177	179.5	-171.9	63	-133.5	-0.9	111.7	E71 E141 S142 A143 A148 L149	E71-R145 IonicContact OE1-CZ 3.61Å; E71-R145 IonicContact OE1-NH1 2.95Å; E71-R145 PolarHBondContact OE1-NH1 2.68Å; E71-R145 IonicContact OE1-NH2 3.54Å; E71-R145 PolarHBondContact OE1-NH2 3.13Å; E141-R145 PolarHBondContact O-N 3.06Å; E141-R145 VanDerWaalsContact O-N 3.15Å; S142-R145 PolarHBondContact O-N 3.47Å; S142-R145 PolarHBondContact OG-NH2 2.86Å; S142-R145 VanDerWaalsContact OG-NH2 3.1Å; A143-R145 PolarHBondContact O-N 2.81Å; R145-A148 PolarHBondContact O-N 3.26Å; R145-L149 WeakPolarHBondContact O-CB 3.32Å; R145-L149 PolarHBondContact O-N 2.83Å
146	E	98.6	Very high	97.6	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.037	26%	0.263	C	S	.	.	H	α-helix	trans	-66.6	-41.9	-177.5	-72.1	170.6	-166.3	0	0	111.8	F25 H68 H135 S137 S142 A143 L149 W150	F25-E146 HydrophobicContact CB-CB 3.7Å; F25-E146 HydrophobicContact CD1-CB 3.86Å; F25-E146 HydrophobicContact CD1-CG 4.42Å; F25-E146 VanDerWaalsContact CD1-OE2 3.31Å; F25-E146 WeakPolarHBondContact CD1-OE2 3.41Å; F25-E146 HydrophobicContact CG-CB 3.85Å; H68-E146 IonicContact CE1-OE1 3.04Å; H135-E146 IonicContact CD2-OE2 3.28Å; H135-E146 IonicContact CE1-OE1 3.33Å; H135-E146 IonicContact CE1-OE2 2.61Å; H135-E146 IonicContact NE2-OE1 3.83Å; H135-E146 PolarHBondContact NE2-OE1 2.93Å; H135-E146 IonicContact NE2-OE2 3.84Å; H135-E146 PolarHBondContact NE2-OE2 3.03Å; S137-E146 WeakPolarHBondContact CA-OE2 3.29Å; S137-E146 WeakPolarHBondContact CB-OE2 3.13Å; S137-E146 PolarHBondContact OG-OE2 2.71Å; S142-E146 VanDerWaalsContact O-CB 3.25Å; S142-E146 WeakPolarHBondContact O-CB 3.35Å; S142-E146 WeakPolarHBondContact O-CG 3.44Å; S142-E146 PolarHBondContact O-N 3.28Å; A143-E146 PolarHBondContact O-N 2.74Å; E146-L149 PolarHBondContact O-N 3.18Å; E146-W150 WeakPolarHBondContact O-CB 2.93Å; E146-W150 PolarHBondContact O-N 3.06Å
147	I	98.6	Very high	97.5	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-59.8	-49.5	175.4	-68.7	165.8	0	0	0	110.1	R23 F25 V94 A143 L149 W150 F151 L156	R23-I147 HydrophobicContact CB-CD1 3.63Å; F25-I147 HydrophobicContact CB-CG1 3.92Å; V94-I147 HydrophobicContact CG1-CD1 3.73Å; V94-I147 HydrophobicContact CG1-CG1 4Å; V94-I147 HydrophobicContact CG2-CG1 4Å; V94-I147 HydrophobicContact CG2-CG2 4.19Å; A143-I147 WeakPolarHBondContact O-CB 3.38Å; A143-I147 WeakPolarHBondContact O-CD1 3.45Å; A143-I147 WeakPolarHBondContact O-CG1 3.25Å; A143-I147 PolarHBondContact O-N 2.76Å; I147-L149 VanDerWaalsContact C-N 3.29Å; I147-L149 PolarHBondContact O-N 3.24Å; I147-W150 PolarHBondContact O-N 3.49Å; I147-F151 PolarHBondContact O-N 3.43Å; I147-L156 HydrophobicContact CG2-CD1 3.96Å; I147-L156 HydrophobicContact CG2-CD2 4.16Å
148	A	98.1	Very high	97.4	Very high	76 Å²	76	60.1 Å²	60.1	63%	0.628	31%	0.31	S	S	*	.	H	α-helix	trans	-64.8	-32.1	-179.5	0	0	0	0	0	113	Q144 R145	Q144-A148 WeakPolarHBondContact O-CB 3.31Å; Q144-A148 PolarHBondContact O-N 2.89Å; Q144-A148 VanDerWaalsContact O-N 3.09Å; R145-A148 PolarHBondContact O-N 3.26Å
149	L	98.4	Very high	97.3	Very high	55 Å²	55	61.5 Å²	61.5	29%	0.288	31%	0.309	S	S	.	.	H	α-helix	trans	-71.6	-40.7	176.4	-179.7	63.1	0	0	0	111.9	L64 E67 H68 R145 E146 I147	L64-L149 HydrophobicContact CD1-CD1 3.79Å; L64-L149 HydrophobicContact CD1-CD2 4.43Å; L64-L149 HydrophobicContact CD1-CG 3.76Å; E67-L149 HydrophobicContact CB-CD1 4.14Å; E67-L149 HydrophobicContact CB-CD2 4.16Å; E67-L149 HydrophobicContact CG-CD1 3.67Å; E67-L149 HydrophobicContact CG-CD2 4.01Å; H68-L149 HydrophobicContact CB-CD2 3.76Å; R145-L149 WeakPolarHBondContact O-CB 3.32Å; R145-L149 PolarHBondContact O-N 2.83Å; E146-L149 PolarHBondContact O-N 3.18Å; I147-L149 VanDerWaalsContact C-N 3.29Å; I147-L149 PolarHBondContact O-N 3.24Å
150	W	98.8	Very high	97.2	Very high	9 Å²	9	68.6 Å²	68.6	3%	0.034	34%	0.338	C	S	.	.	H	α-helix	trans	-92.1	-25.9	-172.3	-76.9	79.2	0	0	0	113.8	F25 K56 V58 A60 L64 L65 H68 V90 A92 E146 I147	F25-W150 HydrophobicContact CD2-CB 4.1Å; F25-W150 HydrophobicContact CD2-CG 4.18Å; F25-W150 HydrophobicContact CE1-CD2 4.4Å; F25-W150 HydrophobicContact CE1-CG 4.39Å; F25-W150 AromaticContact CE1-NE1 3.93Å; F25-W150 HydrophobicContact CE2-CB 3.5Å; F25-W150 AromaticContact CE2-CD1 3.75Å; F25-W150 AromaticContact CE2-CD2 3.66Å; F25-W150 HydrophobicContact CE2-CD2 3.66Å; F25-W150 HydrophobicContact CE2-CE3 4.2Å; F25-W150 AromaticContact CE2-CG 3.33Å; F25-W150 HydrophobicContact CE2-CG 3.33Å; F25-W150 HydrophobicContact CZ-CB 4.16Å; F25-W150 AromaticContact CZ-CD1 3.6Å; F25-W150 AromaticContact CZ-CD2 3.38Å; F25-W150 HydrophobicContact CZ-CD2 3.38Å; F25-W150 AromaticContact CZ-CE2 3.49Å; F25-W150 VanDerWaalsContact CZ-CE2 3.49Å; F25-W150 AromaticContact CZ-CE3 3.97Å; F25-W150 HydrophobicContact CZ-CE3 3.97Å; F25-W150 AromaticContact CZ-CG 3.46Å; F25-W150 HydrophobicContact CZ-CG 3.46Å; F25-W150 VanDerWaalsContact CZ-CG 3.46Å; F25-W150 HydrophobicContact CZ-CZ2 4.14Å; F25-W150 AromaticContact CZ-NE1 3.6Å; K56-W150 WeakPolarHBondContact CE-O 3.43Å; K56-W150 PolarHBondContact NZ-O 2.77Å; V58-W150 HydrophobicContact CG2-CE3 4.49Å; V58-W150 HydrophobicContact CG2-CZ3 3.97Å; A60-W150 HydrophobicContact CB-CH2 3.82Å; A60-W150 HydrophobicContact CB-CZ3 4.11Å; L64-W150 HydrophobicContact CD2-CD2 4.27Å; L64-W150 HydrophobicContact CD2-CE3 4.08Å; L64-W150 HydrophobicContact CD2-CH2 4.3Å; L64-W150 HydrophobicContact CD2-CZ2 4.46Å; L64-W150 HydrophobicContact CD2-CZ3 4.1Å; L65-W150 HydrophobicContact CD2-CH2 4.14Å; L65-W150 HydrophobicContact CD2-CZ2 4.15Å; H68-W150 AromaticContact CE1-NE1 3.77Å; H68-W150 AromaticContact CG-NE1 3.55Å; H68-W150 AromaticContact ND1-NE1 3.13Å; H68-W150 PolarHBondContact ND1-NE1 2.96Å; H68-W150 VanDerWaalsContact ND1-NE1 3.13Å; V90-W150 HydrophobicContact CG1-CH2 4.35Å; V90-W150 HydrophobicContact CG1-CZ3 4.33Å; A92-W150 HydrophobicContact CB-CE3 3.75Å; A92-W150 HydrophobicContact CB-CZ3 4.19Å; E146-W150 WeakPolarHBondContact O-CB 2.93Å; E146-W150 PolarHBondContact O-N 3.06Å; I147-W150 PolarHBondContact O-N 3.49Å
151	F	98.5	Very high	97.2	Very high	11 Å²	11	68.4 Å²	68.4	5%	0.048	34%	0.336	C	S	.	.			trans	-128.7	137.5	-174.3	-69.4	-88.1	0	0	0	111.9	F25 A54 K56 A92 V94 I147 E155 L156	F25-F151 HydrophobicContact CD2-CD2 4.49Å; F25-F151 HydrophobicContact CD2-CE2 4.09Å; F25-F151 AromaticContact CE2-CE2 4Å; F25-F151 HydrophobicContact CE2-CE2 4Å; A54-F151 HydrophobicContact CB-CD1 3.77Å; A54-F151 HydrophobicContact CB-CE1 3.58Å; A54-F151 HydrophobicContact CB-CG 4.34Å; A54-F151 HydrophobicContact CB-CZ 4.02Å; K56-F151 HydrophobicContact CD-CD1 4.22Å; K56-F151 HydrophobicContact CD-CE1 3.81Å; K56-F151 HydrophobicContact CD-CZ 4.46Å; K56-F151 HydrophobicContact CG-CE1 3.68Å; K56-F151 HydrophobicContact CG-CZ 4Å; A92-F151 HydrophobicContact CB-CE2 3.96Å; A92-F151 HydrophobicContact CB-CZ 3.81Å; V94-F151 HydrophobicContact CG2-CD2 3.55Å; V94-F151 HydrophobicContact CG2-CE2 3.54Å; V94-F151 HydrophobicContact CG2-CG 4.25Å; V94-F151 HydrophobicContact CG2-CZ 4.23Å; I147-F151 PolarHBondContact O-N 3.43Å; F151-E155 VanDerWaalsContact CA-OE2 3.32Å; F151-E155 WeakPolarHBondContact CA-OE2 3.41Å; F151-E155 HydrophobicContact CB-CB 4.45Å; F151-E155 HydrophobicContact CD1-CB 3.88Å; F151-L156 HydrophobicContact CB-CD2 3.89Å; F151-L156 HydrophobicContact CG-CD2 4.22Å
152	R	97.8	Very high	97.2	Very high	137 Å²	137	66.4 Å²	66.4	52%	0.517	34%	0.337	S	S	.	.			trans	-74.3	156.8	164.1	-57.7	-174	-50.5	-72.4	-3.1	109.6	D154 E155	R152-D154 WeakPolarHBondContact CB-OD1 3.43Å; R152-D154 IonicContact CZ-OD1 3.6Å; R152-D154 IonicContact CZ-OD2 3.8Å; R152-D154 IonicContact NE-OD1 2.92Å; R152-D154 PolarHBondContact NE-OD1 3.36Å; R152-D154 IonicContact NE-OD2 3.26Å; R152-D154 IonicContact NH2-OD1 3.81Å; R152-D154 IonicContact NH2-OD2 2.8Å; R152-D154 PolarHBondContact NH2-OD2 3.13Å; R152-D154 VanDerWaalsContact NH2-OD2 3.1Å; R152-D154 PolarHBondContact O-N 3.37Å; R152-E155 HydrophobicContact CB-CG 4.19Å; R152-E155 IonicContact CZ-OE1 3.57Å; R152-E155 PolarHBondContact N-OE2 3.07Å; R152-E155 IonicContact NH1-OE1 3.79Å; R152-E155 PolarHBondContact NH1-OE1 2.9Å; R152-E155 IonicContact NH1-OE2 2.89Å; R152-E155 IonicContact NH2-OE1 3.29Å; R152-E155 PolarHBondContact NH2-OE1 3.36Å; R152-E155 WeakPolarHBondContact O-CB 3.5Å; R152-E155 PolarHBondContact O-N 2.7Å
153	E	94	Very high	97.3	Very high	131 Å²	131	68 Å²	68	61%	0.612	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-58.1	-36	179.6	-67	-178.6	-170.3	0	0	112.9	E155 L156	E153-E155 PolarHBondContact O-N 3.06Å; E153-L156 PolarHBondContact O-N 2.96Å; E153-L156 VanDerWaalsContact O-N 3.16Å
154	D	95.4	Very high	97.1	Very high	116 Å²	116	68.8 Å²	68.8	62%	0.62	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-70.2	-14.4	178.1	67.1	-49.5	0	0	0	113.6	R152	R152-D154 WeakPolarHBondContact CB-OD1 3.43Å; R152-D154 IonicContact CZ-OD1 3.6Å; R152-D154 IonicContact CZ-OD2 3.8Å; R152-D154 IonicContact NE-OD1 2.92Å; R152-D154 PolarHBondContact NE-OD1 3.36Å; R152-D154 IonicContact NE-OD2 3.26Å; R152-D154 IonicContact NH2-OD1 3.81Å; R152-D154 IonicContact NH2-OD2 2.8Å; R152-D154 PolarHBondContact NH2-OD2 3.13Å; R152-D154 VanDerWaalsContact NH2-OD2 3.1Å; R152-D154 PolarHBondContact O-N 3.37Å
155	E	98.1	Very high	97.1	Very high	41 Å²	41	71.3 Å²	71.3	19%	0.192	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-86.9	-8.2	174.9	-58.9	179.8	131.3	0	0	112.6	A54 K56 F151 R152 E153 L157	A54-E155 VanDerWaalsContact CB-O 3.32Å; A54-E155 WeakPolarHBondContact CB-O 3.48Å; K56-E155 IonicContact NZ-OE1 2.93Å; K56-E155 PolarHBondContact NZ-OE1 2.98Å; K56-E155 IonicContact NZ-OE2 2.78Å; K56-E155 PolarHBondContact NZ-OE2 3.06Å; F151-E155 VanDerWaalsContact CA-OE2 3.32Å; F151-E155 WeakPolarHBondContact CA-OE2 3.41Å; F151-E155 HydrophobicContact CB-CB 4.45Å; F151-E155 HydrophobicContact CD1-CB 3.88Å; R152-E155 HydrophobicContact CB-CG 4.19Å; R152-E155 IonicContact CZ-OE1 3.57Å; R152-E155 PolarHBondContact N-OE2 3.07Å; R152-E155 IonicContact NH1-OE1 3.79Å; R152-E155 PolarHBondContact NH1-OE1 2.9Å; R152-E155 IonicContact NH1-OE2 2.89Å; R152-E155 IonicContact NH2-OE1 3.29Å; R152-E155 PolarHBondContact NH2-OE1 3.36Å; R152-E155 WeakPolarHBondContact O-CB 3.5Å; R152-E155 PolarHBondContact O-N 2.7Å; E153-E155 PolarHBondContact O-N 3.06Å; E155-L157 WeakPolarHBondContact O-CD1 3.26Å
156	L	97.8	Very high	97.1	Very high	28 Å²	28	77.3 Å²	77.3	15%	0.147	39%	0.393	C	S	.	.	S	Bend	trans	-96.6	106.3	178.5	-55.2	-178.8	0	0	0	110.2	A54 V94 I147 F151 E153	A54-L156 HydrophobicContact CB-CD2 3.7Å; V94-L156 HydrophobicContact CB-CD2 4.39Å; V94-L156 HydrophobicContact CG2-CD2 3.98Å; I147-L156 HydrophobicContact CG2-CD1 3.96Å; I147-L156 HydrophobicContact CG2-CD2 4.16Å; F151-L156 HydrophobicContact CB-CD2 3.89Å; F151-L156 HydrophobicContact CG-CD2 4.22Å; E153-L156 PolarHBondContact O-N 2.96Å; E153-L156 VanDerWaalsContact O-N 3.16Å
157	L	97	Very high	97	Very high	105 Å²	105	80.7 Å²	80.7	55%	0.55	41%	0.411	S	S	.	.			trans	-83.8	137.6	-175.9	-73.6	78.6	0	0	0	112.1	V53 E155	V53-L157 PolarHBondContact O-N 3.16Å; E155-L157 WeakPolarHBondContact O-CD1 3.26Å
158	C	95.3	Very high	96.8	Very high	76 Å²	76	83.9 Å²	83.9	51%	0.514	42%	0.423	S	S	.	.			trans	-106.5	118	166.3	-67.5	0	0	0	0	109
159	W	96.8	Very high	96.2	Very high	114 Å²	114	93.2 Å²	93.2	43%	0.432	45%	0.453	S	S	.	.			trans	-138.9	159.3	179.9	57.8	-84.1	0	0	0	111	K51 L52 D161	K51-W159 HydrophobicContact CD-CZ2 4.15Å; K51-W159 WeakPolarHBondContact CE-O 3.39Å; K51-W159 HydrophobicContact CG-CH2 4Å; K51-W159 HydrophobicContact CG-CZ2 3.35Å; K51-W159 PolarHBondContact NZ-O 3.01Å; L52-W159 PolarHBondContact O-NE1 3.3Å; W159-D161 HydrophobicContact CH2-CB 4.37Å; W159-D161 HydrophobicContact CZ3-CB 4.07Å
160	E	95.9	Very high	96.1	Very high	183 Å²	183	95.1 Å²	95.1	86%	0.855	46%	0.462	S	S	*	.			trans	-81.4	119.3	178.8	-175.1	176.9	176.8	0	0	110.3	S162	E160-S162 PolarHBondContact O-N 3Å
161	D	96.4	Very high	96	Very high	41 Å²	41	99.6 Å²	99.6	22%	0.219	48%	0.484	C	S	.	.			trans	-90.3	98.3	177.5	-169.9	-13.9	0	0	0	110.2	K51 W159 A163 G164	K51-D161 HydrophobicContact CD-CB 4.13Å; W159-D161 HydrophobicContact CH2-CB 4.37Å; W159-D161 HydrophobicContact CZ3-CB 4.07Å; D161-A163 PolarHBondContact O-N 3.42Å; D161-A163 VanDerWaalsContact O-N 3.12Å; D161-A163 WeakPolarHBondContact OD1-CB 3.21Å; D161-A163 PolarHBondContact OD1-N 3.01Å; D161-G164 PolarHBondContact O-N 3.23Å
162	S	96.9	Very high	95.8	Very high	91 Å²	91	104.6 Å²	104.6	64%	0.636	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.4	178.4	65.7	0	0	0	0	113.7	E160 H165	E160-S162 PolarHBondContact O-N 3Å; S162-H165 PolarHBondContact O-CE1 3.11Å; S162-H165 PolarHBondContact O-ND1 3.16Å
163	A	97.3	Very high	95.7	Very high	40 Å²	40	102.6 Å²	102.6	33%	0.331	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-15.4	177.7	0	0	0	0	0	112.9	D161 H165 W166 L167	D161-A163 PolarHBondContact O-N 3.42Å; D161-A163 VanDerWaalsContact O-N 3.12Å; D161-A163 WeakPolarHBondContact OD1-CB 3.21Å; D161-A163 PolarHBondContact OD1-N 3.01Å; A163-H165 VanDerWaalsContact C-N 3.27Å; A163-H165 PolarHBondContact O-N 2.85Å; A163-W166 PolarHBondContact O-N 3.09Å; A163-L167 HydrophobicContact CB-CD1 4.15Å; A163-L167 PolarHBondContact O-N 2.9Å
164	G	95.8	Very high	95.8	Very high	16 Å²	16	100.9 Å²	100.9	17%	0.165	50%	0.501	C	S	.	.	H	α-helix	trans	-55.4	-38.5	-172.3	0	0	0	0	0	114	D161 W166 L167 Y168	D161-G164 PolarHBondContact O-N 3.23Å; G164-W166 PolarHBondContact O-N 3.29Å; G164-L167 PolarHBondContact O-N 3.33Å; G164-L167 VanDerWaalsContact O-N 3.1Å; G164-Y168 PolarHBondContact O-N 3.09Å
165	H	96.1	Very high	95.9	Very high	128 Å²	128	99.9 Å²	99.9	59%	0.593	49%	0.494	S	S	*	.	H	α-helix	trans	-71.5	-10.9	179.6	70.1	-85.6	0	0	0	114.7	S162 A163	S162-H165 PolarHBondContact O-CE1 3.11Å; S162-H165 PolarHBondContact O-ND1 3.16Å; A163-H165 VanDerWaalsContact C-N 3.27Å; A163-H165 PolarHBondContact O-N 2.85Å
166	W	97.8	Very high	95.7	Very high	213 Å²	213	104.1 Å²	104.1	81%	0.807	52%	0.515	S	S	*	.	H	α-helix	trans	-98.3	-14.6	171	-62.1	107.5	0	0	0	112.7	A163 G164	A163-W166 PolarHBondContact O-N 3.09Å; G164-W166 PolarHBondContact O-N 3.29Å
167	L	96.9	Very high	95.5	Very high	80 Å²	80	109.9 Å²	109.9	42%	0.419	54%	0.543	S	S	.	.	H	α-helix	trans	-100.3	-27.2	-174.6	-68.2	170.4	0	0	0	112.9	A163 G164	A163-L167 HydrophobicContact CB-CD1 4.15Å; A163-L167 PolarHBondContact O-N 2.9Å; G164-L167 PolarHBondContact O-N 3.33Å; G164-L167 VanDerWaalsContact O-N 3.1Å
168	Y	93.8	Very high	95.4	Very high	71 Å²	71	110.3 Å²	110.3	28%	0.278	54%	0.543	S	S	.	.			trans	-129.9	147.9	-176.2	-53.8	-61.9	0	0	0	110.6	V20 L98 G164	V20-Y168 HydrophobicContact CB-CD2 4.45Å; V20-Y168 HydrophobicContact CB-CE2 4.39Å; V20-Y168 HydrophobicContact CG1-CD1 3.79Å; V20-Y168 HydrophobicContact CG1-CD2 4.01Å; V20-Y168 HydrophobicContact CG1-CE1 4.07Å; V20-Y168 HydrophobicContact CG1-CE2 4.25Å; V20-Y168 HydrophobicContact CG1-CG 3.76Å; L98-Y168 HydrophobicContact CB-CD1 4.49Å; L98-Y168 HydrophobicContact CB-CE1 3.83Å; G164-Y168 PolarHBondContact O-N 3.09Å
169	E	86.1	Confident	95.4	Very high	271 Å²	271	113.5 Å²	113.5	100%	1.266	55%	0.546	S	S	*	.			trans	-85.6	0	172.7	-66.1	-177.7	176.3	0	0	112.2

Retrieved 169 of 169 residues in 289.3 ms (Link to these results)

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