A0A096N2Q4_PAPAN Loading...

tRNA-specific adenosine deaminase 2

Probably participates in deamination of adenosine-34 to inosine in many tRNAs.

AlphaFold DB (G7P308), UniProt , Accession A0A096N2Q4, Species PAPAN (Papio anubis, Olive baboon), Gene ADAT2, Length 191 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.8	Very low	35.1	Very low	241 Å²	241	143.5 Å²	143.5	100%	1.187	87%	0.868	S	S	*	*				0	112.8	0	-75.1	171	167.8	0	0	105.6
2	E	35.6	Very low	35.4	Very low	190 Å²	190	136.6 Å²	136.6	89%	0.888	85%	0.847	S	S	*	*			cis	-144.2	136.6	15.6	-72.2	171	98.3	0	0	108.5	K4	E2-K4 PolarHBondContact O-N 3.42Å
3	A	34	Very low	36	Very low	103 Å²	103	132.5 Å²	132.5	85%	0.851	85%	0.848	S	S	*	*			trans	-74.8	118.7	170	0	0	0	0	0	108.3	A5	A3-A5 PolarHBondContact O-N 3.17Å
4	K	35.4	Very low	37.5	Very low	212 Å²	212	128.2 Å²	128.2	92%	0.922	83%	0.83	S	S	*	*			trans	-69.1	110.5	168.3	-99.2	-177.8	173.1	-178.8	0	108.5	E2 A6	E2-K4 PolarHBondContact O-N 3.42Å; K4-A6 PolarHBondContact O-N 3.45Å
5	A	34.8	Very low	39.8	Very low	97 Å²	97	122.2 Å²	122.2	80%	0.802	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-62.2	126.6	173.6	0	0	0	0	0	110.3	A3	A3-A5 PolarHBondContact O-N 3.17Å
6	A	33	Very low	42.6	Very low	82 Å²	82	121.2 Å²	121.2	68%	0.678	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-63.7	142.9	167.6	0	0	0	0	0	109.8	K4 K8	K4-A6 PolarHBondContact O-N 3.45Å; A6-K8 PolarHBondContact O-N 3.26Å
7	P	34.3	Very low	45.6	Very low	129 Å²	129	116.1 Å²	116.1	84%	0.838	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-64.7	123	175.4	26	-30.1	0	0	0	109	S9	P7-S9 PolarHBondContact O-N 3.25Å
8	K	30.5	Very low	48.3	Very low	208 Å²	208	111.9 Å²	111.9	90%	0.904	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-64.5	118.1	174.5	-71.9	-179.8	177.1	179.1	0	108.4	A6 A10	A6-K8 PolarHBondContact O-N 3.26Å; K8-A10 PolarHBondContact O-N 3.21Å
9	S	32.4	Very low	50.7	Low	113 Å²	113	108.9 Å²	108.9	79%	0.79	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-54.9	121	167.9	139.2	0	0	0	0	108.8	P7 A11	P7-S9 PolarHBondContact O-N 3.25Å; S9-A11 PolarHBondContact O-N 3.28Å
10	A	36.9	Very low	52.9	Low	96 Å²	96	110.7 Å²	110.7	79%	0.793	71%	0.712	S	S	*	*			trans	-75.5	114.8	171.1	0	0	0	0	0	107.8	K8 G12	K8-A10 PolarHBondContact O-N 3.21Å; A10-G12 PolarHBondContact O-N 3.4Å; A10-G12 VanDerWaalsContact O-N 3.11Å
11	A	39.8	Very low	54.9	Low	108 Å²	108	109 Å²	109	89%	0.893	70%	0.695	S	S	*	*			trans	-66.6	103.9	176.1	0	0	0	0	0	110.7	S9	S9-A11 PolarHBondContact O-N 3.28Å
12	G	38.1	Very low	57.6	Low	60 Å²	60	97.6 Å²	97.6	62%	0.619	64%	0.639	S	S	*	*			trans	-130.8	130.8	157.3	0	0	0	0	0	106.4	A10 A14	A10-G12 PolarHBondContact O-N 3.4Å; A10-G12 VanDerWaalsContact O-N 3.11Å; G12-A14 PolarHBondContact O-N 2.92Å
13	G	43.7	Very low	60.6	Low	83 Å²	83	92.5 Å²	92.5	86%	0.856	62%	0.615	S	S	*	*			trans	-46.4	117.4	-172.8	0	0	0	0	0	111.3	C15	G13-C15 PolarHBondContact O-N 3.17Å
14	A	57.4	Low	63.6	Low	73 Å²	73	92.5 Å²	92.5	60%	0.603	60%	0.596	S	S	*	*			trans	-65	108.1	-177.4	0	0	0	0	0	108.3	G12 S16	G12-A14 PolarHBondContact O-N 2.92Å; A14-S16 PolarHBondContact O-N 2.77Å; A14-S16 VanDerWaalsContact O-N 3.17Å
15	C	72	Confident	66.6	Low	38 Å²	38	83.1 Å²	83.1	26%	0.257	56%	0.555	S	S	.	*			trans	-68.3	109	166.5	-168.7	0	0	0	0	106.4	G13 V99 P120 L121	G13-C15 PolarHBondContact O-N 3.17Å; C15-V99 VanDerWaalsContact SG-CG2 3.53Å; C15-P120 HydrophobicContact CB-CB 4.09Å; C15-P120 HydrophobicContact CB-CG 4.12Å; C15-L121 HydrophobicContact CB-CB 4.4Å
16	S	83.8	Confident	69.6	Low	106 Å²	106	78.5 Å²	78.5	74%	0.741	52%	0.517	S	S	*	.			trans	-112.6	141.8	178.1	61.6	0	0	0	0	109.7	A14	A14-S16 PolarHBondContact O-N 2.77Å; A14-S16 VanDerWaalsContact O-N 3.17Å
17	V	93.1	Very high	72.7	Confident	35 Å²	35	79.3 Å²	79.3	21%	0.212	51%	0.506	C	S	.	.			trans	-122	148.2	178.4	-67	0	0	0	0	109.9	T22 V99 Y101 L121 V123 I155	V17-T22 VanDerWaalsContact CG2-OG1 3.26Å; V17-T22 WeakPolarHBondContact CG2-OG1 3.36Å; V17-V99 HydrophobicContact CG1-CG1 4.21Å; V17-V99 HydrophobicContact CG1-CG2 3.87Å; V17-Y101 WeakPolarHBondContact CG1-OH 3.42Å; V17-L121 HydrophobicContact CG1-CD2 3.94Å; V17-L121 HydrophobicContact CG2-CD2 3.92Å; V17-V123 HydrophobicContact CG2-CG2 4.38Å; V17-I155 HydrophobicContact CG2-CD1 4.27Å
18	S	95.1	Very high	75.8	Confident	41 Å²	41	75.6 Å²	75.6	29%	0.287	48%	0.478	S	S	.	.			trans	-75.5	159.5	175.4	106.1	0	0	0	0	111.4	E20 E21 T22	S18-E20 VanDerWaalsContact C-N 3.32Å; S18-E20 WeakPolarHBondContact CB-OE2 3.27Å; S18-E20 PolarHBondContact OG-N 3.11Å; S18-E20 PolarHBondContact OG-OE2 3.13Å; S18-E21 PolarHBondContact N-OE2 3.11Å; S18-E21 VanDerWaalsContact N-OE2 3.1Å; S18-E21 PolarHBondContact OG-N 3.39Å; S18-E21 VanDerWaalsContact OG-N 3.07Å; S18-T22 VanDerWaalsContact O-CB 3.29Å; S18-T22 WeakPolarHBondContact O-CB 3.1Å; S18-T22 PolarHBondContact O-N 2.85Å; S18-T22 PolarHBondContact O-OG1 3.27Å
19	A	94	Very high	79	Confident	54 Å²	54	65.7 Å²	65.7	45%	0.446	44%	0.435	S	S	.	.	H	α-helix	trans	-65.4	-38.5	175.4	0	0	0	0	0	111.4	T22 E23	A19-T22 PolarHBondContact O-N 3.37Å; A19-E23 WeakPolarHBondContact O-CB 3.06Å; A19-E23 PolarHBondContact O-N 2.96Å
20	E	94.6	Very high	82.2	Confident	144 Å²	144	60.5 Å²	60.5	67%	0.673	40%	0.398	S	S	*	.	H	α-helix	trans	-65.6	-44.5	178.3	-55.9	77.7	-167.2	0	0	111.9	S18 T22 E23 K24	S18-E20 VanDerWaalsContact C-N 3.32Å; S18-E20 WeakPolarHBondContact CB-OE2 3.27Å; S18-E20 PolarHBondContact OG-N 3.11Å; S18-E20 PolarHBondContact OG-OE2 3.13Å; E20-T22 VanDerWaalsContact C-N 3.31Å; E20-E23 PolarHBondContact O-N 3.08Å; E20-K24 WeakPolarHBondContact O-CB 3.17Å; E20-K24 PolarHBondContact O-N 3.06Å
21	E	94.9	Very high	85.1	Confident	76 Å²	76	61.2 Å²	61.2	36%	0.355	38%	0.384	S	S	.	.	H	α-helix	trans	-63.2	-42.4	174.7	-69.4	176.6	131.2	0	0	110.9	S18 K24 W25	S18-E21 PolarHBondContact N-OE2 3.11Å; S18-E21 VanDerWaalsContact N-OE2 3.1Å; S18-E21 PolarHBondContact OG-N 3.39Å; S18-E21 VanDerWaalsContact OG-N 3.07Å; E21-K24 PolarHBondContact O-N 3.4Å; E21-W25 PolarHBondContact O-N 3.43Å
22	T	97.1	Very high	87.9	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.006	35%	0.345	C	S	.	.	H	α-helix	trans	-63.8	-43.3	179.6	-59	0	0	0	0	111.8	V17 S18 A19 E20 W25 M26 Y101 V123 Y158	V17-T22 VanDerWaalsContact CG2-OG1 3.26Å; V17-T22 WeakPolarHBondContact CG2-OG1 3.36Å; S18-T22 VanDerWaalsContact O-CB 3.29Å; S18-T22 WeakPolarHBondContact O-CB 3.1Å; S18-T22 PolarHBondContact O-N 2.85Å; S18-T22 PolarHBondContact O-OG1 3.27Å; A19-T22 PolarHBondContact O-N 3.37Å; E20-T22 VanDerWaalsContact C-N 3.31Å; T22-W25 PolarHBondContact O-N 2.92Å; T22-M26 VanDerWaalsContact O-CB 3.25Å; T22-M26 WeakPolarHBondContact O-CB 3.1Å; T22-M26 PolarHBondContact O-N 3.08Å; T22-Y101 HydrophobicContact CG2-CD1 4.27Å; T22-Y101 HydrophobicContact CG2-CE1 3.92Å; T22-V123 HydrophobicContact CG2-CB 4.45Å; T22-V123 HydrophobicContact CG2-CG1 3.61Å; T22-V123 HydrophobicContact CG2-CG2 4.35Å; T22-Y158 HydrophobicContact CG2-CD1 3.43Å; T22-Y158 VanDerWaalsContact CG2-CD1 3.43Å; T22-Y158 HydrophobicContact CG2-CD2 3.83Å; T22-Y158 HydrophobicContact CG2-CE1 3.32Å; T22-Y158 HydrophobicContact CG2-CE2 3.77Å; T22-Y158 HydrophobicContact CG2-CG 3.65Å; T22-Y158 VanDerWaalsContact CG2-CZ 3.49Å
23	E	96.9	Very high	90.8	Very high	83 Å²	83	53.9 Å²	53.9	39%	0.388	32%	0.316	S	S	.	.	H	α-helix	trans	-63	-47.1	177.2	-167	60.7	-147.7	0	0	111	A19 E20 W25 M26 E27 R159	A19-E23 WeakPolarHBondContact O-CB 3.06Å; A19-E23 PolarHBondContact O-N 2.96Å; E20-E23 PolarHBondContact O-N 3.08Å; E23-W25 PolarHBondContact O-N 3.48Å; E23-M26 PolarHBondContact O-N 3.14Å; E23-E27 WeakPolarHBondContact O-CB 3.27Å; E23-E27 PolarHBondContact O-N 3.01Å; E23-R159 WeakPolarHBondContact OE1-CD 3.48Å; E23-R159 WeakPolarHBondContact OE1-CG 3.29Å
24	K	97.8	Very high	93.4	Very high	104 Å²	104	55.4 Å²	55.4	45%	0.452	30%	0.299	S	S	.	.	H	α-helix	trans	-55	-49.1	176.6	177.1	-165.9	172.7	-164	0	112.1	E20 E21 E27 E28	E20-K24 WeakPolarHBondContact O-CB 3.17Å; E20-K24 PolarHBondContact O-N 3.06Å; E21-K24 PolarHBondContact O-N 3.4Å; K24-E27 WeakPolarHBondContact O-CB 3.02Å; K24-E27 PolarHBondContact O-N 3.49Å; K24-E28 PolarHBondContact O-N 3.44Å
25	W	98.4	Very high	95.3	Very high	15 Å²	15	56.4 Å²	56.4	6%	0.057	29%	0.291	C	S	.	.	H	α-helix	trans	-75	-35.1	-177.3	-60.7	133.8	0	0	0	112.4	E21 T22 E23 E27 E28 A29 L47 V49 N52 V54 Y101	E21-W25 PolarHBondContact O-N 3.43Å; T22-W25 PolarHBondContact O-N 2.92Å; E23-W25 PolarHBondContact O-N 3.48Å; W25-E27 VanDerWaalsContact C-N 3.26Å; W25-E27 PolarHBondContact O-N 3.29Å; W25-E28 WeakPolarHBondContact CZ3-OE2 3.36Å; W25-E28 PolarHBondContact O-N 3.49Å; W25-A29 PolarHBondContact O-N 3.19Å; W25-L47 HydrophobicContact CB-CD1 4.38Å; W25-L47 HydrophobicContact CE3-CD1 4.41Å; W25-L47 WeakPolarHBondContact O-CD1 3.43Å; W25-V49 HydrophobicContact CD2-CG2 4.1Å; W25-V49 HydrophobicContact CG-CG2 4.08Å; W25-V49 HydrophobicContact CZ2-CG1 4.36Å; W25-N52 WeakPolarHBondContact CZ2-OD1 3.28Å; W25-V54 HydrophobicContact CE3-CG2 4.08Å; W25-V54 HydrophobicContact CH2-CG2 3.96Å; W25-V54 HydrophobicContact CZ3-CG2 3.59Å; W25-Y101 HydrophobicContact CB-CD1 3.93Å; W25-Y101 HydrophobicContact CB-CD2 3.73Å; W25-Y101 HydrophobicContact CB-CE1 4.06Å; W25-Y101 HydrophobicContact CB-CE2 3.84Å; W25-Y101 HydrophobicContact CB-CG 3.78Å; W25-Y101 AromaticContact CD1-CE2 3.66Å; W25-Y101 AromaticContact CD1-CZ 3.59Å; W25-Y101 HydrophobicContact CG-CD2 4.29Å; W25-Y101 AromaticContact CG-CE2 3.97Å; W25-Y101 HydrophobicContact CG-CE2 3.97Å
26	M	98.4	Very high	96.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.1	-32	172.3	-165	59.4	67.9	0	0	111.3	T22 E23 A29 M30 Y101 T103 V123 R159	T22-M26 VanDerWaalsContact O-CB 3.25Å; T22-M26 WeakPolarHBondContact O-CB 3.1Å; T22-M26 PolarHBondContact O-N 3.08Å; E23-M26 PolarHBondContact O-N 3.14Å; M26-A29 PolarHBondContact O-N 2.9Å; M26-A29 HydrophobicContact SD-CB 4.2Å; M26-M30 HydrophobicContact CG-CG 4.48Å; M26-M30 WeakPolarHBondContact O-CB 3.46Å; M26-M30 WeakPolarHBondContact O-CG 3.43Å; M26-M30 PolarHBondContact O-N 3.17Å; M26-Y101 HydrophobicContact CE-CD1 4.47Å; M26-T103 HydrophobicContact SD-CG2 4.5Å; M26-V123 HydrophobicContact CE-CB 4.32Å; M26-V123 HydrophobicContact CE-CG1 3.82Å; M26-R159 HydrophobicContact CG-CB 4.28Å; M26-R159 HydrophobicContact CG-CG 4.12Å
27	E	98.3	Very high	97.1	Very high	99 Å²	99	50.9 Å²	50.9	46%	0.463	25%	0.251	S	S	.	.	H	α-helix	trans	-58.7	-49.9	172.5	-170.9	176.5	-168.9	0	0	112.2	E23 K24 W25 A29 M30 H31	E23-E27 WeakPolarHBondContact O-CB 3.27Å; E23-E27 PolarHBondContact O-N 3.01Å; K24-E27 WeakPolarHBondContact O-CB 3.02Å; K24-E27 PolarHBondContact O-N 3.49Å; W25-E27 VanDerWaalsContact C-N 3.26Å; W25-E27 PolarHBondContact O-N 3.29Å; E27-A29 PolarHBondContact O-N 3.03Å; E27-M30 WeakPolarHBondContact O-CB 3.2Å; E27-M30 PolarHBondContact O-N 2.99Å; E27-H31 PolarHBondContact O-CD2 3.28Å; E27-H31 VanDerWaalsContact O-CD2 3.25Å; E27-H31 PolarHBondContact O-N 3.35Å; E27-H31 VanDerWaalsContact O-N 3.11Å
28	E	98.3	Very high	97.2	Very high	51 Å²	51	55.4 Å²	55.4	24%	0.238	27%	0.269	C	S	.	.	H	α-helix	trans	-67.6	-33.9	177.5	-177.8	177.9	-178	0	0	112.5	K24 W25 M30 H31 M32 L47 K57	K24-E28 PolarHBondContact O-N 3.44Å; W25-E28 WeakPolarHBondContact CZ3-OE2 3.36Å; W25-E28 PolarHBondContact O-N 3.49Å; E28-M30 VanDerWaalsContact C-N 3.29Å; E28-M30 PolarHBondContact O-N 2.79Å; E28-H31 WeakPolarHBondContact O-CB 3.4Å; E28-H31 PolarHBondContact O-N 3.37Å; E28-M32 PolarHBondContact O-N 2.95Å; E28-L47 HydrophobicContact CB-CD1 3.66Å; E28-L47 HydrophobicContact CG-CD1 3.72Å; E28-L47 HydrophobicContact CG-CD2 4.3Å; E28-K57 WeakPolarHBondContact OE1-CE 3.42Å; E28-K57 IonicContact OE1-NZ 2.59Å; E28-K57 PolarHBondContact OE1-NZ 2.65Å
29	A	98.6	Very high	97.2	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.4	-38.3	171.8	0	0	0	0	0	112.4	W25 M26 E27 M32 A33 G45 L47 T103	W25-A29 PolarHBondContact O-N 3.19Å; M26-A29 PolarHBondContact O-N 2.9Å; M26-A29 HydrophobicContact SD-CB 4.2Å; E27-A29 PolarHBondContact O-N 3.03Å; A29-M32 HydrophobicContact CB-CE 4.43Å; A29-M32 PolarHBondContact O-N 3.07Å; A29-A33 PolarHBondContact O-N 2.98Å; A29-A33 VanDerWaalsContact O-N 3.07Å; A29-G45 WeakPolarHBondContact O-CA 3.23Å; A29-L47 HydrophobicContact CB-CD1 4.45Å; A29-L47 HydrophobicContact CB-CG 4.37Å; A29-T103 HydrophobicContact CB-CG2 4.01Å; A29-T103 WeakPolarHBondContact O-CG2 3.43Å
30	M	98.5	Very high	97.2	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.02	28%	0.277	C	S	.	.	H	α-helix	trans	-72.3	-31.8	178.6	-66.8	-76.1	-75	0	0	112.7	M26 E27 E28 M32 A33 K34 T103 R159 E162 A163 M166	M26-M30 HydrophobicContact CG-CG 4.48Å; M26-M30 WeakPolarHBondContact O-CB 3.46Å; M26-M30 WeakPolarHBondContact O-CG 3.43Å; M26-M30 PolarHBondContact O-N 3.17Å; E27-M30 WeakPolarHBondContact O-CB 3.2Å; E27-M30 PolarHBondContact O-N 2.99Å; E28-M30 VanDerWaalsContact C-N 3.29Å; E28-M30 PolarHBondContact O-N 2.79Å; M30-M32 VanDerWaalsContact C-N 3.29Å; M30-M32 PolarHBondContact O-N 3.12Å; M30-A33 WeakPolarHBondContact O-CB 3.39Å; M30-A33 PolarHBondContact O-N 3.34Å; M30-K34 PolarHBondContact O-N 3.16Å; M30-T103 HydrophobicContact CB-CG2 4.41Å; M30-T103 HydrophobicContact CG-CG2 3.77Å; M30-T103 HydrophobicContact SD-CG2 3.27Å; M30-T103 WeakPolarHBondContact SD-CG2 3.44Å; M30-R159 HydrophobicContact CE-CB 4.31Å; M30-E162 HydrophobicContact CE-CB 3.45Å; M30-E162 VanDerWaalsContact CE-CB 3.45Å; M30-E162 HydrophobicContact CE-CG 3.22Å; M30-E162 VanDerWaalsContact CE-OE1 3.29Å; M30-E162 WeakPolarHBondContact CE-OE1 3.25Å; M30-A163 HydrophobicContact CE-CB 4.42Å; M30-A163 HydrophobicContact SD-CB 4.2Å; M30-M166 HydrophobicContact CE-CE 3.15Å; M30-M166 HydrophobicContact SD-CE 3.42Å; M30-M166 WeakPolarHBondContact SD-CE 3.42Å
31	H	98.4	Very high	97.3	Very high	110 Å²	110	51.6 Å²	51.6	51%	0.509	25%	0.246	S	C	.	.	H	α-helix	trans	-57.1	-44.1	169.1	-80.9	-70.6	0	0	0	111.6	E27 E28 K34 E35	E27-H31 PolarHBondContact O-CD2 3.28Å; E27-H31 VanDerWaalsContact O-CD2 3.25Å; E27-H31 PolarHBondContact O-N 3.35Å; E27-H31 VanDerWaalsContact O-N 3.11Å; E28-H31 WeakPolarHBondContact O-CB 3.4Å; E28-H31 PolarHBondContact O-N 3.37Å; H31-K34 WeakPolarHBondContact O-CB 3.38Å; H31-K34 PolarHBondContact O-N 2.9Å; H31-E35 PolarHBondContact O-N 3.06Å
32	M	98.2	Very high	97.4	Very high	15 Å²	15	49.8 Å²	49.8	7%	0.074	24%	0.239	C	C	.	.	H	α-helix	trans	-68.7	-34	176	-67.6	-177	-68.4	0	0	113.5	E28 A29 M30 K34 E35 A36 C46 L47 K57 R59	E28-M32 PolarHBondContact O-N 2.95Å; A29-M32 HydrophobicContact CB-CE 4.43Å; A29-M32 PolarHBondContact O-N 3.07Å; M30-M32 VanDerWaalsContact C-N 3.29Å; M30-M32 PolarHBondContact O-N 3.12Å; M32-K34 VanDerWaalsContact C-N 3.28Å; M32-K34 PolarHBondContact O-N 3.36Å; M32-E35 PolarHBondContact O-N 3.02Å; M32-A36 PolarHBondContact O-N 2.93Å; M32-C46 WeakPolarHBondContact CE-O 3.5Å; M32-L47 HydrophobicContact CE-CD1 4.38Å; M32-L47 HydrophobicContact CE-CD2 3.27Å; M32-L47 HydrophobicContact CE-CG 3.44Å; M32-L47 VanDerWaalsContact CE-CG 3.44Å; M32-L47 HydrophobicContact SD-CD2 4.13Å; M32-K57 HydrophobicContact SD-CB 3.69Å; M32-K57 HydrophobicContact SD-CD 4.41Å; M32-K57 HydrophobicContact SD-CG 4.4Å; M32-R59 HydrophobicContact CB-CB 4.29Å
33	A	98.4	Very high	97.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-38.5	172.6	0	0	0	0	0	111.6	A29 M30 A36 L37 P43 T103 M166	A29-A33 PolarHBondContact O-N 2.98Å; A29-A33 VanDerWaalsContact O-N 3.07Å; M30-A33 WeakPolarHBondContact O-CB 3.39Å; M30-A33 PolarHBondContact O-N 3.34Å; A33-A36 WeakPolarHBondContact O-CB 3.4Å; A33-A36 PolarHBondContact O-N 3.46Å; A33-L37 PolarHBondContact O-N 2.95Å; A33-P43 WeakPolarHBondContact O-CA 3.44Å; A33-P43 WeakPolarHBondContact O-CB 3.46Å; A33-T103 HydrophobicContact CB-CG2 3.89Å; A33-M166 HydrophobicContact CB-CE 3.71Å; A33-M166 HydrophobicContact CB-SD 4Å
34	K	98.2	Very high	97.6	Very high	114 Å²	114	46.6 Å²	46.6	50%	0.496	23%	0.226	S	C	.	.	H	α-helix	trans	-65.2	-43.1	173.2	-173.9	-178.5	176.6	-173.6	0	111.8	M30 H31 M32 A36 L37 E38 M166	M30-K34 PolarHBondContact O-N 3.16Å; H31-K34 WeakPolarHBondContact O-CB 3.38Å; H31-K34 PolarHBondContact O-N 2.9Å; M32-K34 VanDerWaalsContact C-N 3.28Å; M32-K34 PolarHBondContact O-N 3.36Å; K34-A36 VanDerWaalsContact C-N 3.3Å; K34-A36 PolarHBondContact O-N 3.4Å; K34-L37 WeakPolarHBondContact O-CB 3.1Å; K34-L37 PolarHBondContact O-N 3.3Å; K34-L37 VanDerWaalsContact O-N 3.13Å; K34-E38 VanDerWaalsContact CE-OE1 3.23Å; K34-E38 WeakPolarHBondContact CE-OE1 3.48Å; K34-E38 WeakPolarHBondContact O-CG 3.42Å; K34-E38 PolarHBondContact O-N 3.12Å; K34-M166 HydrophobicContact CB-SD 4.49Å
35	E	98	Very high	97.6	Very high	95 Å²	95	41.6 Å²	41.6	44%	0.444	20%	0.204	S	C	.	.	H	α-helix	trans	-59.4	-40.4	173.4	-70	176.2	-169.5	0	0	111.8	H31 M32 E38 N39	H31-E35 PolarHBondContact O-N 3.06Å; M32-E35 PolarHBondContact O-N 3.02Å; E35-E38 PolarHBondContact O-N 3.38Å; E35-N39 WeakPolarHBondContact O-CB 3.47Å; E35-N39 PolarHBondContact O-N 2.93Å; E35-N39 VanDerWaalsContact O-N 3.1Å; E35-N39 PolarHBondContact O-ND2 3.5Å
36	A	97.8	Very high	97.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.5	-45.6	173.5	0	0	0	0	0	111.5	M32 A33 K34 E38 N39 T40 E41 R59	M32-A36 PolarHBondContact O-N 2.93Å; A33-A36 WeakPolarHBondContact O-CB 3.4Å; A33-A36 PolarHBondContact O-N 3.46Å; K34-A36 VanDerWaalsContact C-N 3.3Å; K34-A36 PolarHBondContact O-N 3.4Å; A36-E38 VanDerWaalsContact C-N 3.35Å; A36-E38 PolarHBondContact O-N 3.18Å; A36-N39 CarbonylContact O-C 3.4Å; A36-N39 PolarHBondContact O-N 2.77Å; A36-N39 VanDerWaalsContact O-N 3.09Å; A36-T40 PolarHBondContact O-N 3.06Å; A36-E41 HydrophobicContact CB-CB 3.93Å; A36-E41 WeakPolarHBondContact O-CA 3.46Å; A36-E41 WeakPolarHBondContact O-CB 3.36Å; A36-E41 PolarHBondContact O-N 3.46Å; A36-R59 HydrophobicContact CB-CB 4.1Å; A36-R59 HydrophobicContact CB-CG 4.38Å
37	L	96.6	Very high	97.6	Very high	27 Å²	27	40.9 Å²	40.9	14%	0.141	20%	0.201	C	C	.	.	H	α-helix	trans	-57	-47.6	177	-171	55.4	0	0	0	112.3	A33 K34 N39 T40 P43 T169 F170	A33-L37 PolarHBondContact O-N 2.95Å; K34-L37 WeakPolarHBondContact O-CB 3.1Å; K34-L37 PolarHBondContact O-N 3.3Å; K34-L37 VanDerWaalsContact O-N 3.13Å; L37-N39 PolarHBondContact O-N 3.08Å; L37-T40 PolarHBondContact O-N 3.12Å; L37-P43 HydrophobicContact CB-CB 4.04Å; L37-P43 HydrophobicContact CD1-CB 4.45Å; L37-P43 HydrophobicContact CD1-CG 4.45Å; L37-T169 HydrophobicContact CD2-CG2 4.02Å; L37-F170 HydrophobicContact CD1-CB 3.79Å; L37-F170 HydrophobicContact CD1-CD2 4.01Å; L37-F170 HydrophobicContact CD1-CG 4.41Å
38	E	95.6	Very high	97.6	Very high	130 Å²	130	36.2 Å²	36.2	61%	0.607	18%	0.179	S	C	*	.	H	α-helix	trans	-61.7	-28.9	178.9	-71	172.1	-179.9	0	0	112	K34 E35 A36 T40	K34-E38 VanDerWaalsContact CE-OE1 3.23Å; K34-E38 WeakPolarHBondContact CE-OE1 3.48Å; K34-E38 WeakPolarHBondContact O-CG 3.42Å; K34-E38 PolarHBondContact O-N 3.12Å; E35-E38 PolarHBondContact O-N 3.38Å; A36-E38 VanDerWaalsContact C-N 3.35Å; A36-E38 PolarHBondContact O-N 3.18Å; E38-T40 VanDerWaalsContact C-N 3.33Å
39	N	94.6	Very high	97.6	Very high	88 Å²	88	34.2 Å²	34.2	47%	0.471	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	15.6	175.6	-71.1	-73.4	0	0	0	113.8	E35 A36 L37 E41	E35-N39 WeakPolarHBondContact O-CB 3.47Å; E35-N39 PolarHBondContact O-N 2.93Å; E35-N39 VanDerWaalsContact O-N 3.1Å; E35-N39 PolarHBondContact O-ND2 3.5Å; A36-N39 CarbonylContact O-C 3.4Å; A36-N39 PolarHBondContact O-N 2.77Å; A36-N39 VanDerWaalsContact O-N 3.09Å; L37-N39 PolarHBondContact O-N 3.08Å; N39-E41 PolarHBondContact O-N 3.11Å
40	T	94.1	Very high	97.6	Very high	70 Å²	70	34.7 Å²	34.7	43%	0.429	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	35.3	180	-40.4	0	0	0	0	112.6	A36 L37 E38 N63	A36-T40 PolarHBondContact O-N 3.06Å; L37-T40 PolarHBondContact O-N 3.12Å; E38-T40 VanDerWaalsContact C-N 3.33Å; T40-N63 PolarHBondContact O-ND2 3.42Å
41	E	96.3	Very high	97.4	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.009	20%	0.202	C	C	.	.	S	Bend	trans	-106.8	158.4	172	-69.4	-79.8	-169.1	0	0	110	A36 N39 N60 E61 V62 N63 Q64 F170	A36-E41 HydrophobicContact CB-CB 3.93Å; A36-E41 WeakPolarHBondContact O-CA 3.46Å; A36-E41 WeakPolarHBondContact O-CB 3.36Å; A36-E41 PolarHBondContact O-N 3.46Å; N39-E41 PolarHBondContact O-N 3.11Å; E41-N60 HydrophobicContact CB-CB 4.33Å; E41-N60 WeakPolarHBondContact CB-O 3.5Å; E41-N60 WeakPolarHBondContact CG-O 3.49Å; E41-N60 PolarHBondContact OE2-ND2 3.41Å; E41-E61 WeakPolarHBondContact OE1-CA 3.44Å; E41-V62 PolarHBondContact OE1-N 3.36Å; E41-V62 PolarHBondContact OE2-N 3.21Å; E41-N63 VanDerWaalsContact OE1-CA 3.3Å; E41-N63 WeakPolarHBondContact OE1-CA 3.36Å; E41-N63 VanDerWaalsContact OE1-CB 3.25Å; E41-N63 WeakPolarHBondContact OE1-CB 3.37Å; E41-N63 PolarHBondContact OE1-N 3.14Å; E41-N63 PolarHBondContact OE2-N 3.15Å; E41-N63 PolarHBondContact OE2-ND2 3.02Å; E41-Q64 PolarHBondContact OE1-N 3.01Å; E41-F170 VanDerWaalsContact O-CD2 3.28Å; E41-F170 WeakPolarHBondContact O-CD2 3.33Å; E41-F170 VanDerWaalsContact O-CE2 3.24Å; E41-F170 WeakPolarHBondContact O-CE2 3.23Å
42	V	97.2	Very high	97.2	Very high	37 Å²	37	39.4 Å²	39.4	22%	0.224	20%	0.202	C	C	.	.			trans	-58.1	127.6	172.7	-173.4	0	0	0	0	108.1	V44 N60 L167 F170	V42-V44 HydrophobicContact CG1-CG2 4.01Å; V42-V44 PolarHBondContact O-N 2.64Å; V42-N60 HydrophobicContact CB-CB 4.48Å; V42-N60 WeakPolarHBondContact O-CB 3.26Å; V42-L167 HydrophobicContact CG1-CD2 3.98Å; V42-F170 HydrophobicContact CB-CE1 4.4Å; V42-F170 HydrophobicContact CG2-CD1 4.49Å; V42-F170 HydrophobicContact CG2-CE1 3.75Å; V42-F170 HydrophobicContact CG2-CZ 3.88Å
43	P	98.1	Very high	97.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.219	C	C	.	.			trans	-78	72.8	-169.2	31.7	-37.8	0	0	0	112.1	A33 L37 M166 L167 F170	A33-P43 WeakPolarHBondContact O-CA 3.44Å; A33-P43 WeakPolarHBondContact O-CB 3.46Å; L37-P43 HydrophobicContact CB-CB 4.04Å; L37-P43 HydrophobicContact CD1-CB 4.45Å; L37-P43 HydrophobicContact CD1-CG 4.45Å; P43-M166 HydrophobicContact CB-CB 4Å; P43-M166 HydrophobicContact CG-CB 3.94Å; P43-L167 HydrophobicContact CG-CD2 4.1Å; P43-L167 HydrophobicContact CG-CG 4.49Å; P43-F170 HydrophobicContact CG-CB 3.97Å
44	V	98.8	Very high	97.1	Very high	17 Å²	17	44.8 Å²	44.8	10%	0.103	23%	0.229	C	C	.	.			trans	-117.9	126.4	174.6	-171.6	0	0	0	0	108.3	V42 R59 N60 A72 V102 T103 V104	V42-V44 HydrophobicContact CG1-CG2 4.01Å; V42-V44 PolarHBondContact O-N 2.64Å; V44-R59 VanDerWaalsContact O-CA 3.27Å; V44-R59 WeakPolarHBondContact O-CA 3.47Å; V44-N60 PolarHBondContact O-N 3.04Å; V44-N60 VanDerWaalsContact O-N 3.12Å; V44-A72 HydrophobicContact CB-CB 4.28Å; V44-A72 HydrophobicContact CG1-CB 3.87Å; V44-V102 HydrophobicContact CG1-CG2 3.82Å; V44-T103 WeakPolarHBondContact CA-OG1 3.32Å; V44-V104 HydrophobicContact CG1-CB 4.37Å; V44-V104 HydrophobicContact CG2-CB 4.29Å; V44-V104 HydrophobicContact CG2-CG2 3.96Å
45	G	98.7	Very high	97.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	149.5	174.1	0	0	0	0	0	110.7	A29 G58 V102 T103	A29-G45 WeakPolarHBondContact O-CA 3.23Å; G45-G58 CarbonylContact C-O 3.58Å; G45-G58 WeakPolarHBondContact CA-O 3.35Å; G45-V102 WeakPolarHBondContact O-CA 3.45Å; G45-V102 WeakPolarHBondContact O-CG2 3.37Å; G45-T103 PolarHBondContact N-OG1 3.06Å; G45-T103 VanDerWaalsContact N-OG1 3.15Å; G45-T103 PolarHBondContact O-N 3.07Å
46	C	98.4	Very high	97.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	132	-171.7	-178.9	0	0	0	0	111.5	M32 K57 G58 A72 A76 L100 Y101 V102	M32-C46 WeakPolarHBondContact CE-O 3.5Å; C46-K57 CarbonylContact O-C 3.56Å; C46-G58 PolarHBondContact N-O 3.33Å; C46-G58 PolarHBondContact O-N 2.94Å; C46-A72 HydrophobicContact CB-CB 3.59Å; C46-A76 HydrophobicContact CB-CB 4.39Å; C46-L100 WeakPolarHBondContact SG-CD1 3.16Å; C46-Y101 CarbonylContact C-O 3.5Å; C46-Y101 VanDerWaalsContact CA-O 3.25Å; C46-Y101 WeakPolarHBondContact CA-O 3.48Å; C46-V102 HydrophobicContact CB-CB 4.4Å; C46-V102 HydrophobicContact CB-CG2 4.19Å
47	L	98.5	Very high	97.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	146.6	169.6	-67.4	174.5	0	0	0	111	W25 E28 A29 M32 V54 G56 K57 L100 Y101	W25-L47 HydrophobicContact CB-CD1 4.38Å; W25-L47 HydrophobicContact CE3-CD1 4.41Å; W25-L47 WeakPolarHBondContact O-CD1 3.43Å; E28-L47 HydrophobicContact CB-CD1 3.66Å; E28-L47 HydrophobicContact CG-CD1 3.72Å; E28-L47 HydrophobicContact CG-CD2 4.3Å; A29-L47 HydrophobicContact CB-CD1 4.45Å; A29-L47 HydrophobicContact CB-CG 4.37Å; M32-L47 HydrophobicContact CE-CD1 4.38Å; M32-L47 HydrophobicContact CE-CD2 3.27Å; M32-L47 HydrophobicContact CE-CG 3.44Å; M32-L47 VanDerWaalsContact CE-CG 3.44Å; M32-L47 HydrophobicContact SD-CD2 4.13Å; L47-V54 HydrophobicContact CD2-CG1 3.79Å; L47-G56 WeakPolarHBondContact CA-O 3.43Å; L47-K57 HydrophobicContact CD2-CB 4.26Å; L47-K57 HydrophobicContact CD2-CD 4.18Å; L47-K57 HydrophobicContact CD2-CG 3.74Å; L47-L100 CarbonylContact O-C 3.48Å; L47-L100 VanDerWaalsContact O-CA 3.32Å; L47-L100 WeakPolarHBondContact O-CA 3.42Å; L47-Y101 PolarHBondContact N-O 2.89Å; L47-Y101 PolarHBondContact O-N 3.3Å
48	M	98.8	Very high	97.3	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	118	169	-72.6	-173.1	109.2	0	0	108.5	V55 G56 A76 I77 V80 F95 T98 V99 L100 L114 I119	M48-V55 HydrophobicContact CB-CG2 4.28Å; M48-V55 VanDerWaalsContact O-CG2 3.28Å; M48-V55 WeakPolarHBondContact O-CG2 3.24Å; M48-V55 PolarHBondContact O-N 3.29Å; M48-G56 PolarHBondContact N-O 3.06Å; M48-G56 PolarHBondContact O-N 2.88Å; M48-A76 HydrophobicContact CG-CB 3.98Å; M48-A76 HydrophobicContact SD-CB 3.98Å; M48-I77 HydrophobicContact CE-CG1 4.09Å; M48-I77 HydrophobicContact SD-CG1 4.02Å; M48-V80 HydrophobicContact CB-CG2 3.69Å; M48-V80 HydrophobicContact CG-CG2 4.19Å; M48-V80 HydrophobicContact SD-CG2 3.49Å; M48-V80 WeakPolarHBondContact SD-CG2 3Å; M48-F95 HydrophobicContact CE-CD1 3.96Å; M48-F95 HydrophobicContact CE-CE1 3.91Å; M48-F95 HydrophobicContact SD-CE1 4.24Å; M48-T98 HydrophobicContact CB-CG2 3.66Å; M48-T98 HydrophobicContact CE-CG2 4.04Å; M48-T98 HydrophobicContact CG-CG2 4.12Å; M48-V99 WeakPolarHBondContact CA-O 3.42Å; M48-L100 HydrophobicContact CE-CD1 4.1Å; M48-L100 HydrophobicContact CG-CD1 4.06Å; M48-L100 HydrophobicContact SD-CD1 4.48Å; M48-L114 HydrophobicContact CE-CD2 4.28Å; M48-I119 HydrophobicContact CE-CD1 3.44Å; M48-I119 VanDerWaalsContact CE-CD1 3.44Å; M48-I119 HydrophobicContact CE-CG1 3.93Å
49	V	98.6	Very high	97.4	Very high	9 Å²	9	33.4 Å²	33.4	6%	0.055	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122.6	-174.7	-176.5	0	0	0	0	109.6	W25 E53 V54 T98 V99 Y101	W25-V49 HydrophobicContact CD2-CG2 4.1Å; W25-V49 HydrophobicContact CG-CG2 4.08Å; W25-V49 HydrophobicContact CZ2-CG1 4.36Å; V49-E53 CarbonylContact C-O 3.31Å; V49-E53 WeakPolarHBondContact CA-O 3.4Å; V49-V54 HydrophobicContact CG2-CG2 4.33Å; V49-T98 CarbonylContact O-C 3.59Å; V49-T98 VanDerWaalsContact O-CA 3.32Å; V49-T98 WeakPolarHBondContact O-CA 3.33Å; V49-V99 PolarHBondContact N-O 3.45Å; V49-V99 PolarHBondContact O-N 3.39Å; V49-Y101 HydrophobicContact CB-CE2 4.04Å; V49-Y101 HydrophobicContact CG2-CD2 3.87Å; V49-Y101 HydrophobicContact CG2-CE2 3.7Å
50	Y	97.9	Very high	97.6	Very high	11 Å²	11	29.7 Å²	29.7	4%	0.043	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	122.1	176.6	168	-111.5	0	0	0	108.3	N52 E53 V55 W83 K89 E93 V94 H97	Y50-N52 VanDerWaalsContact C-N 3.3Å; Y50-N52 PolarHBondContact O-N 3.15Å; Y50-E53 PolarHBondContact N-O 3.12Å; Y50-E53 WeakPolarHBondContact O-CB 3.32Å; Y50-E53 PolarHBondContact O-N 3.46Å; Y50-V55 HydrophobicContact CD1-CG1 4.25Å; Y50-W83 AromaticContact CD1-CH2 3.76Å; Y50-W83 HydrophobicContact CD1-CH2 3.76Å; Y50-W83 HydrophobicContact CD1-CZ3 4.16Å; Y50-W83 AromaticContact CE1-CH2 3.85Å; Y50-W83 HydrophobicContact CE1-CH2 3.85Å; Y50-W83 HydrophobicContact CE1-CZ3 4.28Å; Y50-K89 HydrophobicContact CE1-CD 4.08Å; Y50-E93 PolarHBondContact OH-OE1 3.06Å; Y50-V94 HydrophobicContact CD1-CG1 4.21Å; Y50-V94 HydrophobicContact CD2-CG1 4.23Å; Y50-V94 HydrophobicContact CE1-CG2 4.21Å; Y50-V94 HydrophobicContact CG-CG1 3.96Å; Y50-H97 HydrophobicContact CD2-CB 3.82Å; Y50-H97 HydrophobicContact CE2-CB 3.73Å
51	N	94.3	Very high	97.8	Very high	118 Å²	118	28.1 Å²	28.1	63%	0.631	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	45.7	-178.9	-62.5	-25.3	0	0	0	114	E53	N51-E53 PolarHBondContact O-N 2.97Å; N51-E53 VanDerWaalsContact O-N 3.17Å
52	N	94.2	Very high	97.9	Very high	95 Å²	95	29.6 Å²	29.6	51%	0.508	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	13.8	-178.1	-159.9	39	0	0	0	114.6	W25 Y50	W25-N52 WeakPolarHBondContact CZ2-OD1 3.28Å; Y50-N52 VanDerWaalsContact C-N 3.3Å; Y50-N52 PolarHBondContact O-N 3.15Å
53	E	96.8	Very high	97.8	Very high	95 Å²	95	32.5 Å²	32.5	44%	0.444	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.8	171.8	-174	-175	164.2	0	0	109.7	V49 Y50 N51 V55 W83	V49-E53 CarbonylContact C-O 3.31Å; V49-E53 WeakPolarHBondContact CA-O 3.4Å; Y50-E53 PolarHBondContact N-O 3.12Å; Y50-E53 WeakPolarHBondContact O-CB 3.32Å; Y50-E53 PolarHBondContact O-N 3.46Å; N51-E53 PolarHBondContact O-N 2.97Å; N51-E53 VanDerWaalsContact O-N 3.17Å; E53-V55 HydrophobicContact CG-CG1 4.5Å; E53-V55 PolarHBondContact O-N 2.96Å; E53-W83 PolarHBondContact OE1-NE1 3.22Å
54	V	98.4	Very high	97.7	Very high	33 Å²	33	38.2 Å²	38.2	20%	0.2	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	111.3	172.1	-179.8	0	0	0	0	109	W25 L47 V49 K57	W25-V54 HydrophobicContact CE3-CG2 4.08Å; W25-V54 HydrophobicContact CH2-CG2 3.96Å; W25-V54 HydrophobicContact CZ3-CG2 3.59Å; L47-V54 HydrophobicContact CD2-CG1 3.79Å; V49-V54 HydrophobicContact CG2-CG2 4.33Å; V54-K57 HydrophobicContact CG1-CD 4.3Å; V54-K57 HydrophobicContact CG1-CG 3.69Å
55	V	98.6	Very high	97.6	Very high	6 Å²	6	40 Å²	40	4%	0.036	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	-16.8	-178.7	-67.4	0	0	0	0	113.1	M48 Y50 E53 Q79 V80 W83 V94	M48-V55 HydrophobicContact CB-CG2 4.28Å; M48-V55 VanDerWaalsContact O-CG2 3.28Å; M48-V55 WeakPolarHBondContact O-CG2 3.24Å; M48-V55 PolarHBondContact O-N 3.29Å; Y50-V55 HydrophobicContact CD1-CG1 4.25Å; E53-V55 HydrophobicContact CG-CG1 4.5Å; E53-V55 PolarHBondContact O-N 2.96Å; V55-Q79 CarbonylContact O-C 3.53Å; V55-V80 HydrophobicContact CB-CG2 4.36Å; V55-V80 HydrophobicContact CG2-CG1 4.37Å; V55-V80 HydrophobicContact CG2-CG2 3.8Å; V55-W83 HydrophobicContact CB-CD2 4.01Å; V55-W83 HydrophobicContact CB-CE3 4.29Å; V55-W83 HydrophobicContact CB-CG 4.08Å; V55-W83 HydrophobicContact CG1-CD2 3.62Å; V55-W83 HydrophobicContact CG1-CE3 3.91Å; V55-W83 HydrophobicContact CG1-CG 4.1Å; V55-W83 HydrophobicContact CG1-CH2 3.96Å; V55-W83 HydrophobicContact CG1-CZ2 3.71Å; V55-W83 HydrophobicContact CG1-CZ3 4.07Å; V55-V94 HydrophobicContact CG2-CG1 4.4Å
56	G	98.6	Very high	97.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	136.8	174.8	0	0	0	0	0	112	L47 M48	L47-G56 WeakPolarHBondContact CA-O 3.43Å; M48-G56 PolarHBondContact N-O 3.06Å; M48-G56 PolarHBondContact O-N 2.88Å
57	K	98.6	Very high	97.5	Very high	85 Å²	85	52.6 Å²	52.6	37%	0.37	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	143.9	172.3	-56.2	-161.3	-172.5	-162.9	0	108.8	E28 M32 C46 L47 V54 Q79	E28-K57 WeakPolarHBondContact OE1-CE 3.42Å; E28-K57 IonicContact OE1-NZ 2.59Å; E28-K57 PolarHBondContact OE1-NZ 2.65Å; M32-K57 HydrophobicContact SD-CB 3.69Å; M32-K57 HydrophobicContact SD-CD 4.41Å; M32-K57 HydrophobicContact SD-CG 4.4Å; C46-K57 CarbonylContact O-C 3.56Å; L47-K57 HydrophobicContact CD2-CB 4.26Å; L47-K57 HydrophobicContact CD2-CD 4.18Å; L47-K57 HydrophobicContact CD2-CG 3.74Å; V54-K57 HydrophobicContact CG1-CD 4.3Å; V54-K57 HydrophobicContact CG1-CG 3.69Å; K57-Q79 PolarHBondContact O-NE2 3.39Å; K57-Q79 PolarHBondContact O-OE1 3.28Å
58	G	98.4	Very high	97.5	Very high	3 Å²	3	56.2 Å²	56.2	3%	0.031	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	144.3	-179.6	0	0	0	0	0	111.9	G45 C46 A72	G45-G58 CarbonylContact C-O 3.58Å; G45-G58 WeakPolarHBondContact CA-O 3.35Å; C46-G58 PolarHBondContact N-O 3.33Å; C46-G58 PolarHBondContact O-N 2.94Å; G58-A72 WeakPolarHBondContact CA-O 3.13Å
59	R	98.5	Very high	97.4	Very high	33 Å²	33	59.1 Å²	59.1	13%	0.125	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	166.4	165.4	70.1	178.9	177.6	80.7	1.9	109	M32 A36 V44 E61	M32-R59 HydrophobicContact CB-CB 4.29Å; A36-R59 HydrophobicContact CB-CB 4.1Å; A36-R59 HydrophobicContact CB-CG 4.38Å; V44-R59 VanDerWaalsContact O-CA 3.27Å; V44-R59 WeakPolarHBondContact O-CA 3.47Å; R59-E61 HydrophobicContact CG-CG 4.39Å; R59-E61 PolarHBondContact O-N 3.45Å
60	N	98.2	Very high	97.4	Very high	9 Å²	9	60.9 Å²	60.9	5%	0.048	32%	0.316	C	S	.	.			trans	-62.9	131.2	174.2	-163.8	82.1	0	0	0	110.3	E41 V42 V44 V62	E41-N60 HydrophobicContact CB-CB 4.33Å; E41-N60 WeakPolarHBondContact CB-O 3.5Å; E41-N60 WeakPolarHBondContact CG-O 3.49Å; E41-N60 PolarHBondContact OE2-ND2 3.41Å; V42-N60 HydrophobicContact CB-CB 4.48Å; V42-N60 WeakPolarHBondContact O-CB 3.26Å; V44-N60 PolarHBondContact O-N 3.04Å; V44-N60 VanDerWaalsContact O-N 3.12Å; N60-V62 PolarHBondContact ND2-N 3.4Å
61	E	98.1	Very high	97.5	Very high	37 Å²	37	62.8 Å²	62.8	17%	0.173	33%	0.325	C	S	.	.			trans	-132.6	19.2	-177.5	-65.9	178.1	167.5	0	0	111.7	E41 R59 N63 Q64 T65 R70 V75	E41-E61 WeakPolarHBondContact OE1-CA 3.44Å; R59-E61 HydrophobicContact CG-CG 4.39Å; R59-E61 PolarHBondContact O-N 3.45Å; E61-N63 PolarHBondContact O-N 3.07Å; E61-Q64 PolarHBondContact O-N 3.26Å; E61-T65 HydrophobicContact CB-CG2 3.92Å; E61-T65 WeakPolarHBondContact O-CB 3.28Å; E61-T65 WeakPolarHBondContact O-CG2 3.41Å; E61-T65 PolarHBondContact O-N 2.87Å; E61-T65 PolarHBondContact O-OG1 3.41Å; E61-R70 HydrophobicContact CB-CB 4.12Å; E61-R70 PolarHBondContact N-O 3.13Å; E61-V75 HydrophobicContact CB-CG2 4.4Å; E61-V75 HydrophobicContact CG-CG2 4.19Å; E61-V75 WeakPolarHBondContact OE2-CG2 3.38Å
62	V	97.9	Very high	97.7	Very high	34 Å²	34	57.1 Å²	57.1	21%	0.206	30%	0.295	C	S	.	.	H	α-helix	trans	-58	-46.1	-174.1	170.1	0	0	0	0	111.9	E41 N60 K66 N67	E41-V62 PolarHBondContact OE1-N 3.36Å; E41-V62 PolarHBondContact OE2-N 3.21Å; N60-V62 PolarHBondContact ND2-N 3.4Å; V62-K66 VanDerWaalsContact O-CA 3.29Å; V62-K66 WeakPolarHBondContact O-CA 3.23Å; V62-K66 PolarHBondContact O-N 3.39Å; V62-N67 WeakPolarHBondContact CA-O 3.08Å; V62-N67 PolarHBondContact O-N 2.86Å
63	N	95.4	Very high	97.9	Very high	98 Å²	98	53 Å²	53	52%	0.524	27%	0.272	S	S	.	.	H	α-helix	trans	-71.1	-46.2	179.8	-62	-34.8	0	0	0	111	T40 E41 E61 T65 K66	T40-N63 PolarHBondContact O-ND2 3.42Å; E41-N63 VanDerWaalsContact OE1-CA 3.3Å; E41-N63 WeakPolarHBondContact OE1-CA 3.36Å; E41-N63 VanDerWaalsContact OE1-CB 3.25Å; E41-N63 WeakPolarHBondContact OE1-CB 3.37Å; E41-N63 PolarHBondContact OE1-N 3.14Å; E41-N63 PolarHBondContact OE2-N 3.15Å; E41-N63 PolarHBondContact OE2-ND2 3.02Å; E61-N63 PolarHBondContact O-N 3.07Å; N63-T65 VanDerWaalsContact C-N 3.33Å; N63-T65 PolarHBondContact O-N 3.2Å; N63-K66 PolarHBondContact O-N 3.02Å
64	Q	96.3	Very high	98	Very high	119 Å²	119	50.5 Å²	50.5	56%	0.556	26%	0.261	S	S	*	.	H	α-helix	trans	-59.2	-43.3	-178.3	-177.9	179.5	-38.7	0	0	111.9	E41 E61	E41-Q64 PolarHBondContact OE1-N 3.01Å; E61-Q64 PolarHBondContact O-N 3.26Å
65	T	97	Very high	98	Very high	56 Å²	56	49.1 Å²	49.1	34%	0.344	25%	0.253	S	S	.	.	H	α-helix	trans	-91.9	-10.9	-176.5	62	0	0	0	0	113.5	E61 N63 N67 R70	E61-T65 HydrophobicContact CB-CG2 3.92Å; E61-T65 WeakPolarHBondContact O-CB 3.28Å; E61-T65 WeakPolarHBondContact O-CG2 3.41Å; E61-T65 PolarHBondContact O-N 2.87Å; E61-T65 PolarHBondContact O-OG1 3.41Å; N63-T65 VanDerWaalsContact C-N 3.33Å; N63-T65 PolarHBondContact O-N 3.2Å; T65-N67 PolarHBondContact O-N 2.98Å; T65-N67 PolarHBondContact OG1-N 3.06Å; T65-R70 HydrophobicContact CG2-CB 4.48Å; T65-R70 HydrophobicContact CG2-CG 4.1Å; T65-R70 WeakPolarHBondContact OG1-CB 3.49Å; T65-R70 WeakPolarHBondContact OG1-CG 3.28Å
66	K	96.9	Very high	98	Very high	197 Å²	197	48.9 Å²	48.9	86%	0.857	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	33.3	-170.6	-55.1	178.1	-178.4	176.1	0	112.5	V62 N63	V62-K66 VanDerWaalsContact O-CA 3.29Å; V62-K66 WeakPolarHBondContact O-CA 3.23Å; V62-K66 PolarHBondContact O-N 3.39Å; N63-K66 PolarHBondContact O-N 3.02Å
67	N	97.8	Very high	98	Very high	66 Å²	66	49.4 Å²	49.4	35%	0.353	25%	0.254	S	S	.	.			trans	-128.2	115.3	-179.8	177.3	-4.9	0	0	0	109.7	V62 T65 T69 R70	V62-N67 WeakPolarHBondContact CA-O 3.08Å; V62-N67 PolarHBondContact O-N 2.86Å; T65-N67 PolarHBondContact O-N 2.98Å; T65-N67 PolarHBondContact OG1-N 3.06Å; N67-T69 PolarHBondContact ND2-OG1 2.82Å; N67-T69 PolarHBondContact O-N 2.9Å; N67-T69 PolarHBondContact OD1-N 3.36Å; N67-T69 PolarHBondContact OD1-OG1 3.02Å; N67-R70 HydrophobicContact CB-CG 3.68Å; N67-R70 PolarHBondContact O-N 3.16Å; N67-R70 VanDerWaalsContact O-N 3.1Å
68	A	97.6	Very high	98	Very high	76 Å²	76	48.1 Å²	48.1	63%	0.628	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-17.7	-177.4	0	0	0	0	0	114.1	H71	A68-H71 PolarHBondContact O-NE2 2.84Å
69	T	98.2	Very high	98.1	Very high	61 Å²	61	51.7 Å²	51.7	37%	0.374	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-3.2	-179.9	75.3	0	0	0	0	113.4	N67 H71 M74 M109	N67-T69 PolarHBondContact ND2-OG1 2.82Å; N67-T69 PolarHBondContact O-N 2.9Å; N67-T69 PolarHBondContact OD1-N 3.36Å; N67-T69 PolarHBondContact OD1-OG1 3.02Å; T69-H71 PolarHBondContact O-N 2.5Å; T69-M74 WeakPolarHBondContact O-CB 3.44Å; T69-M74 VanDerWaalsContact O-CG 3.25Å; T69-M74 WeakPolarHBondContact O-CG 3.46Å; T69-M109 HydrophobicContact CG2-SD 4.22Å
70	R	98.4	Very high	98.1	Very high	47 Å²	47	50.1 Å²	50.1	18%	0.177	26%	0.261	C	S	.	.			trans	-82.4	54.5	-175.4	-59.3	-58.2	-62	-176.7	-2.3	112.9	E61 T65 N67 V75 D78	E61-R70 HydrophobicContact CB-CB 4.12Å; E61-R70 PolarHBondContact N-O 3.13Å; T65-R70 HydrophobicContact CG2-CB 4.48Å; T65-R70 HydrophobicContact CG2-CG 4.1Å; T65-R70 WeakPolarHBondContact OG1-CB 3.49Å; T65-R70 WeakPolarHBondContact OG1-CG 3.28Å; N67-R70 HydrophobicContact CB-CG 3.68Å; N67-R70 PolarHBondContact O-N 3.16Å; N67-R70 VanDerWaalsContact O-N 3.1Å; R70-V75 HydrophobicContact CB-CG2 4.47Å; R70-D78 IonicContact CZ-OD2 2.66Å; R70-D78 IonicContact NH1-OD2 2.88Å; R70-D78 PolarHBondContact NH1-OD2 3.14Å; R70-D78 IonicContact NH2-OD2 3.35Å; R70-D78 PolarHBondContact NH2-OD2 3.49Å
71	H	98.8	Very high	98.1	Very high	50 Å²	50	51.9 Å²	51.9	23%	0.231	27%	0.27	C	S	.	.			trans	-73.9	159.6	168.6	-65	-176.7	0	0	0	110.6	A68 T69 E73 M74 V75 C107 M109 C110	A68-H71 PolarHBondContact O-NE2 2.84Å; T69-H71 PolarHBondContact O-N 2.5Å; H71-E73 VanDerWaalsContact C-N 3.25Å; H71-E73 WeakPolarHBondContact CB-OE2 3.5Å; H71-E73 PolarHBondContact O-N 2.88Å; H71-M74 PolarHBondContact O-N 2.87Å; H71-V75 WeakPolarHBondContact O-CG2 3.26Å; H71-V75 PolarHBondContact O-N 2.86Å; H71-C107 PolarHBondContact ND1-SG 3.26Å; H71-M109 HydrophobicContact CB-CE 4.29Å; H71-M109 VanDerWaalsContact ND1-CE 3.33Å; H71-M109 WeakPolarHBondContact ND1-CE 3.33Å; H71-C110 PolarHBondContact ND1-SG 3.46Å; H71-C110 VanDerWaalsContact ND1-SG 3.39Å
72	A	98.8	Very high	98.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-53.6	-40.9	-176	0	0	0	0	0	112.9	V44 C46 G58 V75 A76	V44-A72 HydrophobicContact CB-CB 4.28Å; V44-A72 HydrophobicContact CG1-CB 3.87Å; C46-A72 HydrophobicContact CB-CB 3.59Å; G58-A72 WeakPolarHBondContact CA-O 3.13Å; A72-V75 PolarHBondContact O-N 2.95Å; A72-A76 WeakPolarHBondContact O-CB 3.31Å; A72-A76 PolarHBondContact O-N 3.26Å
73	E	98.9	Very high	98.2	Very high	7 Å²	7	53.2 Å²	53.2	3%	0.033	28%	0.275	C	S	.	.	H	α-helix	trans	-67.6	-38.4	179.8	-50.1	96.2	122.9	0	0	111.9	H71 A76 I77 L100 V102 P106 C110	H71-E73 VanDerWaalsContact C-N 3.25Å; H71-E73 WeakPolarHBondContact CB-OE2 3.5Å; H71-E73 PolarHBondContact O-N 2.88Å; E73-A76 PolarHBondContact O-N 2.78Å; E73-I77 VanDerWaalsContact O-CG1 3.26Å; E73-I77 WeakPolarHBondContact O-CG1 3.28Å; E73-I77 PolarHBondContact O-N 2.88Å; E73-L100 HydrophobicContact CB-CD1 4.35Å; E73-L100 HydrophobicContact CG-CD1 4.32Å; E73-V102 HydrophobicContact CG-CG2 4.25Å; E73-P106 VanDerWaalsContact OE1-CA 3.29Å; E73-P106 WeakPolarHBondContact OE1-CA 3.25Å; E73-P106 WeakPolarHBondContact OE1-CB 3.39Å; E73-C110 HydrophobicContact CB-CB 4.08Å; E73-C110 HydrophobicContact CG-CB 4.05Å; E73-C110 WeakPolarHBondContact OE1-CB 3Å; E73-C110 PolarHBondContact OE1-SG 2.63Å; E73-C110 PolarHBondContact OE2-SG 2.9Å
74	M	98.8	Very high	98.3	Very high	44 Å²	44	48.7 Å²	48.7	22%	0.217	25%	0.251	C	S	.	.	H	α-helix	trans	-69.7	-38.8	177.8	-60.9	-55.9	-59.9	0	0	111.4	T69 H71 I77 D78 M109 A113	T69-M74 WeakPolarHBondContact O-CB 3.44Å; T69-M74 VanDerWaalsContact O-CG 3.25Å; T69-M74 WeakPolarHBondContact O-CG 3.46Å; H71-M74 PolarHBondContact O-N 2.87Å; M74-I77 PolarHBondContact O-N 2.7Å; M74-I77 HydrophobicContact SD-CD1 4.25Å; M74-D78 PolarHBondContact O-N 2.91Å; M74-M109 HydrophobicContact CG-CE 4.03Å; M74-A113 HydrophobicContact CE-CB 4.34Å; M74-A113 HydrophobicContact SD-CB 3.67Å
75	V	98.8	Very high	98.4	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.024	26%	0.257	C	S	.	.	H	α-helix	trans	-63.9	-43.3	173.6	177.5	0	0	0	0	110.6	E61 R70 H71 A72 I77 D78 Q79	E61-V75 HydrophobicContact CB-CG2 4.4Å; E61-V75 HydrophobicContact CG-CG2 4.19Å; E61-V75 WeakPolarHBondContact OE2-CG2 3.38Å; R70-V75 HydrophobicContact CB-CG2 4.47Å; H71-V75 WeakPolarHBondContact O-CG2 3.26Å; H71-V75 PolarHBondContact O-N 2.86Å; A72-V75 PolarHBondContact O-N 2.95Å; V75-I77 PolarHBondContact O-N 2.99Å; V75-D78 PolarHBondContact O-N 2.59Å; V75-Q79 PolarHBondContact O-N 3.17Å
76	A	98.8	Very high	98.4	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.4	-41.1	177.5	0	0	0	0	0	112.1	C46 M48 A72 E73 D78 Q79 V80	C46-A76 HydrophobicContact CB-CB 4.39Å; M48-A76 HydrophobicContact CG-CB 3.98Å; M48-A76 HydrophobicContact SD-CB 3.98Å; A72-A76 WeakPolarHBondContact O-CB 3.31Å; A72-A76 PolarHBondContact O-N 3.26Å; E73-A76 PolarHBondContact O-N 2.78Å; A76-D78 VanDerWaalsContact C-N 3.33Å; A76-D78 PolarHBondContact O-N 2.88Å; A76-Q79 PolarHBondContact O-N 2.9Å; A76-Q79 VanDerWaalsContact O-N 3.14Å; A76-V80 WeakPolarHBondContact O-CG2 3.43Å; A76-V80 PolarHBondContact O-N 2.88Å
77	I	98.8	Very high	98.5	Very high	11 Å²	11	51.2 Å²	51.2	6%	0.056	25%	0.252	C	S	.	.	H	α-helix	trans	-57.1	-45.4	175.3	-74.8	165.9	0	0	0	111.3	M48 E73 M74 V75 Q79 V80 L81 F95 A113 L114 M117	M48-I77 HydrophobicContact CE-CG1 4.09Å; M48-I77 HydrophobicContact SD-CG1 4.02Å; E73-I77 VanDerWaalsContact O-CG1 3.26Å; E73-I77 WeakPolarHBondContact O-CG1 3.28Å; E73-I77 PolarHBondContact O-N 2.88Å; M74-I77 PolarHBondContact O-N 2.7Å; M74-I77 HydrophobicContact SD-CD1 4.25Å; V75-I77 PolarHBondContact O-N 2.99Å; I77-Q79 VanDerWaalsContact C-N 3.31Å; I77-Q79 PolarHBondContact O-N 3.1Å; I77-V80 PolarHBondContact O-N 2.66Å; I77-L81 HydrophobicContact CG2-CD1 4.43Å; I77-L81 WeakPolarHBondContact O-CG 3.5Å; I77-L81 PolarHBondContact O-N 3.21Å; I77-F95 HydrophobicContact CG1-CE1 4.36Å; I77-F95 HydrophobicContact CG2-CE1 4.44Å; I77-F95 HydrophobicContact CG2-CZ 3.94Å; I77-A113 HydrophobicContact CD1-CB 4.29Å; I77-L114 HydrophobicContact CD1-CD2 4.3Å; I77-M117 HydrophobicContact CD1-CG 4.3Å
78	D	98.6	Very high	98.4	Very high	59 Å²	59	51.4 Å²	51.4	32%	0.316	27%	0.27	S	S	.	.	H	α-helix	trans	-59.9	-43	176.5	-74.5	-10.3	0	0	0	111.9	R70 M74 V75 A76 V80 L81 D82	R70-D78 IonicContact CZ-OD2 2.66Å; R70-D78 IonicContact NH1-OD2 2.88Å; R70-D78 PolarHBondContact NH1-OD2 3.14Å; R70-D78 IonicContact NH2-OD2 3.35Å; R70-D78 PolarHBondContact NH2-OD2 3.49Å; M74-D78 PolarHBondContact O-N 2.91Å; V75-D78 PolarHBondContact O-N 2.59Å; A76-D78 VanDerWaalsContact C-N 3.33Å; A76-D78 PolarHBondContact O-N 2.88Å; D78-V80 VanDerWaalsContact C-N 3.31Å; D78-V80 PolarHBondContact O-N 3.43Å; D78-L81 WeakPolarHBondContact O-CB 3.32Å; D78-L81 PolarHBondContact O-N 3.15Å; D78-L81 VanDerWaalsContact O-N 3.15Å; D78-D82 PolarHBondContact O-N 3.03Å
79	Q	98.6	Very high	98.4	Very high	78 Å²	78	51.9 Å²	51.9	36%	0.364	26%	0.258	S	S	.	.	H	α-helix	trans	-64.1	-36.8	177.9	-69.2	-162.7	14.2	0	0	112.2	V55 K57 V75 A76 I77 L81 D82 W83	V55-Q79 CarbonylContact O-C 3.53Å; K57-Q79 PolarHBondContact O-NE2 3.39Å; K57-Q79 PolarHBondContact O-OE1 3.28Å; V75-Q79 PolarHBondContact O-N 3.17Å; A76-Q79 PolarHBondContact O-N 2.9Å; A76-Q79 VanDerWaalsContact O-N 3.14Å; I77-Q79 VanDerWaalsContact C-N 3.31Å; I77-Q79 PolarHBondContact O-N 3.1Å; Q79-L81 VanDerWaalsContact C-N 3.35Å; Q79-D82 PolarHBondContact O-N 2.97Å; Q79-W83 WeakPolarHBondContact O-CB 3.4Å; Q79-W83 PolarHBondContact O-N 3.45Å
80	V	98.8	Very high	98.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-43.1	172.6	177.6	0	0	0	0	110.9	M48 V55 A76 I77 D78 D82 W83 C84 V94 F95	M48-V80 HydrophobicContact CB-CG2 3.69Å; M48-V80 HydrophobicContact CG-CG2 4.19Å; M48-V80 HydrophobicContact SD-CG2 3.49Å; M48-V80 WeakPolarHBondContact SD-CG2 3Å; V55-V80 HydrophobicContact CB-CG2 4.36Å; V55-V80 HydrophobicContact CG2-CG1 4.37Å; V55-V80 HydrophobicContact CG2-CG2 3.8Å; A76-V80 WeakPolarHBondContact O-CG2 3.43Å; A76-V80 PolarHBondContact O-N 2.88Å; I77-V80 PolarHBondContact O-N 2.66Å; D78-V80 VanDerWaalsContact C-N 3.31Å; D78-V80 PolarHBondContact O-N 3.43Å; V80-D82 VanDerWaalsContact C-N 3.33Å; V80-D82 PolarHBondContact O-N 3.4Å; V80-W83 PolarHBondContact O-N 3.31Å; V80-C84 WeakPolarHBondContact O-CB 3.47Å; V80-C84 PolarHBondContact O-N 3Å; V80-C84 PolarHBondContact O-SG 2.96Å; V80-V94 HydrophobicContact CG1-CG1 3.75Å; V80-F95 HydrophobicContact CB-CE1 3.6Å; V80-F95 HydrophobicContact CB-CZ 3.87Å; V80-F95 HydrophobicContact CG1-CD1 3.92Å; V80-F95 HydrophobicContact CG1-CE1 3.42Å; V80-F95 VanDerWaalsContact CG1-CE1 3.42Å; V80-F95 HydrophobicContact CG1-CE2 4.44Å; V80-F95 HydrophobicContact CG1-CZ 3.71Å; V80-F95 HydrophobicContact CG2-CE1 4.08Å
81	L	98.7	Very high	98.4	Very high	45 Å²	45	52 Å²	52	24%	0.236	27%	0.267	C	S	.	.	H	α-helix	trans	-60.7	-43.1	176.4	-67.3	174.1	0	0	0	111.6	I77 D78 Q79 C84 R85 P91 F95	I77-L81 HydrophobicContact CG2-CD1 4.43Å; I77-L81 WeakPolarHBondContact O-CG 3.5Å; I77-L81 PolarHBondContact O-N 3.21Å; D78-L81 WeakPolarHBondContact O-CB 3.32Å; D78-L81 PolarHBondContact O-N 3.15Å; D78-L81 VanDerWaalsContact O-N 3.15Å; Q79-L81 VanDerWaalsContact C-N 3.35Å; L81-C84 PolarHBondContact O-N 3.41Å; L81-R85 WeakPolarHBondContact O-CG 3.5Å; L81-R85 PolarHBondContact O-N 3.14Å; L81-P91 HydrophobicContact CD2-CB 3.85Å; L81-P91 HydrophobicContact CD2-CG 4.12Å; L81-F95 HydrophobicContact CD2-CE2 3.79Å; L81-F95 HydrophobicContact CD2-CZ 4.11Å; L81-F95 HydrophobicContact CG-CE2 4.39Å; L81-F95 HydrophobicContact CG-CZ 4.21Å
82	D	98.6	Very high	98.3	Very high	73 Å²	73	52.4 Å²	52.4	39%	0.39	28%	0.275	S	S	.	.	H	α-helix	trans	-67.5	-36.5	176.1	-76.9	-21.4	0	0	0	113	D78 Q79 V80 R85 R86	D78-D82 PolarHBondContact O-N 3.03Å; Q79-D82 PolarHBondContact O-N 2.97Å; V80-D82 VanDerWaalsContact C-N 3.33Å; V80-D82 PolarHBondContact O-N 3.4Å; D82-R85 IonicContact OD1-CZ 3.68Å; D82-R85 IonicContact OD1-NH1 2.65Å; D82-R85 PolarHBondContact OD1-NH1 3.18Å; D82-R86 WeakPolarHBondContact O-CG 3.32Å; D82-R86 PolarHBondContact O-N 2.82Å; D82-R86 PolarHBondContact O-NE 3.19Å; D82-R86 VanDerWaalsContact O-NE 3.14Å
83	W	98.6	Very high	98.2	Very high	27 Å²	27	56.4 Å²	56.4	10%	0.102	29%	0.294	C	S	.	.	H	α-helix	trans	-63	-45.8	172	-177.2	99.5	0	0	0	110.9	Y50 E53 V55 Q79 V80 R85 R86 S87 K89 V94	Y50-W83 AromaticContact CD1-CH2 3.76Å; Y50-W83 HydrophobicContact CD1-CH2 3.76Å; Y50-W83 HydrophobicContact CD1-CZ3 4.16Å; Y50-W83 AromaticContact CE1-CH2 3.85Å; Y50-W83 HydrophobicContact CE1-CH2 3.85Å; Y50-W83 HydrophobicContact CE1-CZ3 4.28Å; E53-W83 PolarHBondContact OE1-NE1 3.22Å; V55-W83 HydrophobicContact CB-CD2 4.01Å; V55-W83 HydrophobicContact CB-CE3 4.29Å; V55-W83 HydrophobicContact CB-CG 4.08Å; V55-W83 HydrophobicContact CG1-CD2 3.62Å; V55-W83 HydrophobicContact CG1-CE3 3.91Å; V55-W83 HydrophobicContact CG1-CG 4.1Å; V55-W83 HydrophobicContact CG1-CH2 3.96Å; V55-W83 HydrophobicContact CG1-CZ2 3.71Å; V55-W83 HydrophobicContact CG1-CZ3 4.07Å; Q79-W83 WeakPolarHBondContact O-CB 3.4Å; Q79-W83 PolarHBondContact O-N 3.45Å; V80-W83 PolarHBondContact O-N 3.31Å; W83-R85 PolarHBondContact O-N 2.92Å; W83-R86 PolarHBondContact O-N 2.85Å; W83-R86 VanDerWaalsContact O-N 3.14Å; W83-S87 WeakPolarHBondContact CZ3-OG 3.34Å; W83-S87 WeakPolarHBondContact O-CB 3.42Å; W83-S87 PolarHBondContact O-N 3.42Å; W83-S87 PolarHBondContact O-OG 3.31Å; W83-K89 HydrophobicContact CH2-CD 3.45Å; W83-K89 VanDerWaalsContact CH2-CD 3.45Å; W83-K89 HydrophobicContact CZ3-CB 4.26Å; W83-K89 HydrophobicContact CZ3-CD 3.58Å; W83-K89 HydrophobicContact CZ3-CG 4.45Å; W83-V94 HydrophobicContact CZ3-CG1 4.21Å; W83-V94 HydrophobicContact CZ3-CG2 3.79Å
84	C	98.5	Very high	98.2	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.014	29%	0.293	C	S	.	.	H	α-helix	trans	-59.5	-43.7	177.8	-68.2	0	0	0	0	112.2	V80 L81 R86 S87 G88 K89 P91	V80-C84 WeakPolarHBondContact O-CB 3.47Å; V80-C84 PolarHBondContact O-N 3Å; V80-C84 PolarHBondContact O-SG 2.96Å; L81-C84 PolarHBondContact O-N 3.41Å; C84-R86 VanDerWaalsContact C-N 3.3Å; C84-R86 PolarHBondContact O-N 3.44Å; C84-S87 PolarHBondContact O-N 3.49Å; C84-S87 PolarHBondContact O-OG 3.44Å; C84-G88 PolarHBondContact O-N 2.97Å; C84-K89 WeakPolarHBondContact CB-O 3.42Å; C84-K89 PolarHBondContact O-N 3.48Å; C84-P91 HydrophobicContact CB-CG 3.94Å
85	R	98.3	Very high	98.2	Very high	181 Å²	181	54.2 Å²	54.2	68%	0.683	28%	0.283	S	S	*	.	H	α-helix	trans	-58.8	-41.6	176	-71.7	170.3	-168.6	153.7	0.9	112	L81 D82 W83	L81-R85 WeakPolarHBondContact O-CG 3.5Å; L81-R85 PolarHBondContact O-N 3.14Å; D82-R85 IonicContact OD1-CZ 3.68Å; D82-R85 IonicContact OD1-NH1 2.65Å; D82-R85 PolarHBondContact OD1-NH1 3.18Å; W83-R85 PolarHBondContact O-N 2.92Å
86	R	98.1	Very high	98.1	Very high	191 Å²	191	56.5 Å²	56.5	72%	0.721	29%	0.294	S	S	*	.	H	α-helix	trans	-75.4	-36	-179.7	-70.6	178.8	-67.1	139.8	-4.2	112.9	D82 W83 C84	D82-R86 WeakPolarHBondContact O-CG 3.32Å; D82-R86 PolarHBondContact O-N 2.82Å; D82-R86 PolarHBondContact O-NE 3.19Å; D82-R86 VanDerWaalsContact O-NE 3.14Å; W83-R86 PolarHBondContact O-N 2.85Å; W83-R86 VanDerWaalsContact O-N 3.14Å; C84-R86 VanDerWaalsContact C-N 3.3Å; C84-R86 PolarHBondContact O-N 3.44Å
87	S	97.3	Very high	98.1	Very high	53 Å²	53	61.7 Å²	61.7	37%	0.371	32%	0.318	S	S	.	.	H	α-helix	trans	-86.2	-9.3	-178.8	65.9	0	0	0	0	113.7	W83 C84 K89	W83-S87 WeakPolarHBondContact CZ3-OG 3.34Å; W83-S87 WeakPolarHBondContact O-CB 3.42Å; W83-S87 PolarHBondContact O-N 3.42Å; W83-S87 PolarHBondContact O-OG 3.31Å; C84-S87 PolarHBondContact O-N 3.49Å; C84-S87 PolarHBondContact O-OG 3.44Å; S87-K89 PolarHBondContact O-N 3.28Å
88	G	97.4	Very high	98.1	Very high	71 Å²	71	61.1 Å²	61.1	73%	0.732	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	16.8	-176	0	0	0	0	0	113.6	C84	C84-G88 PolarHBondContact O-N 2.97Å
89	K	97.4	Very high	98.1	Very high	85 Å²	85	58.8 Å²	58.8	37%	0.37	30%	0.303	S	S	.	.			trans	-90.5	151.7	-179.9	-72.5	-179.4	173	-69.8	0	111.8	Y50 W83 C84 S87 P91 V94	Y50-K89 HydrophobicContact CE1-CD 4.08Å; W83-K89 HydrophobicContact CH2-CD 3.45Å; W83-K89 VanDerWaalsContact CH2-CD 3.45Å; W83-K89 HydrophobicContact CZ3-CB 4.26Å; W83-K89 HydrophobicContact CZ3-CD 3.58Å; W83-K89 HydrophobicContact CZ3-CG 4.45Å; C84-K89 WeakPolarHBondContact CB-O 3.42Å; C84-K89 PolarHBondContact O-N 3.48Å; S87-K89 PolarHBondContact O-N 3.28Å; K89-P91 WeakPolarHBondContact O-CD 3.29Å; K89-V94 HydrophobicContact CB-CG2 3.92Å; K89-V94 HydrophobicContact CD-CG2 4.32Å
90	S	98.1	Very high	98.1	Very high	60 Å²	60	55.1 Å²	55.1	42%	0.42	29%	0.286	S	S	.	.			trans	-71.1	125	175.3	174.8	0	0	0	0	110.7	S92 E93 V94	S90-S92 VanDerWaalsContact C-N 3.26Å; S90-S92 PolarHBondContact O-N 2.88Å; S90-E93 WeakPolarHBondContact O-CB 3.39Å; S90-E93 PolarHBondContact O-N 3.08Å; S90-E93 VanDerWaalsContact O-N 3.11Å; S90-V94 WeakPolarHBondContact O-CG2 3.26Å; S90-V94 PolarHBondContact O-N 3.39Å; S90-V94 VanDerWaalsContact O-N 3.08Å
91	P	98	Very high	98.1	Very high	52 Å²	52	55.3 Å²	55.3	34%	0.338	29%	0.286	S	S	.	.	H	α-helix	trans	-56	-39.3	175.2	-28.3	36	0	0	0	113.7	L81 C84 K89 E93 V94 F95	L81-P91 HydrophobicContact CD2-CB 3.85Å; L81-P91 HydrophobicContact CD2-CG 4.12Å; C84-P91 HydrophobicContact CB-CG 3.94Å; K89-P91 WeakPolarHBondContact O-CD 3.29Å; P91-E93 VanDerWaalsContact C-N 3.3Å; P91-E93 PolarHBondContact O-N 2.85Å; P91-V94 PolarHBondContact O-N 2.85Å; P91-F95 HydrophobicContact CB-CD2 4.33Å; P91-F95 HydrophobicContact CB-CE2 4.18Å; P91-F95 WeakPolarHBondContact O-CD2 3.25Å; P91-F95 PolarHBondContact O-N 3.24Å
92	S	97	Very high	98.1	Very high	57 Å²	57	53.1 Å²	53.1	40%	0.399	28%	0.275	S	S	.	.	H	α-helix	trans	-64.1	-36.9	179.3	-170.8	0	0	0	0	111.8	S90 E96	S90-S92 VanDerWaalsContact C-N 3.26Å; S90-S92 PolarHBondContact O-N 2.88Å; S92-E96 WeakPolarHBondContact O-CB 3.34Å; S92-E96 VanDerWaalsContact O-CG 3.27Å; S92-E96 WeakPolarHBondContact O-CG 3.37Å; S92-E96 PolarHBondContact O-N 3.48Å; S92-E96 PolarHBondContact OG-OE1 3.25Å
93	E	96.8	Very high	98.1	Very high	85 Å²	85	49.7 Å²	49.7	40%	0.397	26%	0.256	S	S	.	.	H	α-helix	trans	-68.1	-45.6	176.6	-177.9	-164.9	151.7	0	0	110.5	Y50 S90 P91 E96 H97	Y50-E93 PolarHBondContact OH-OE1 3.06Å; S90-E93 WeakPolarHBondContact O-CB 3.39Å; S90-E93 PolarHBondContact O-N 3.08Å; S90-E93 VanDerWaalsContact O-N 3.11Å; P91-E93 VanDerWaalsContact C-N 3.3Å; P91-E93 PolarHBondContact O-N 2.85Å; E93-E96 PolarHBondContact O-N 3.37Å; E93-H97 PolarHBondContact O-N 2.82Å; E93-H97 PolarHBondContact O-ND1 3.3Å
94	V	98.4	Very high	98.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.6	-49.2	-176.7	174.7	0	0	0	0	110.7	Y50 V55 V80 W83 K89 S90 P91 E96 H97 T98	Y50-V94 HydrophobicContact CD1-CG1 4.21Å; Y50-V94 HydrophobicContact CD2-CG1 4.23Å; Y50-V94 HydrophobicContact CE1-CG2 4.21Å; Y50-V94 HydrophobicContact CG-CG1 3.96Å; V55-V94 HydrophobicContact CG2-CG1 4.4Å; V80-V94 HydrophobicContact CG1-CG1 3.75Å; W83-V94 HydrophobicContact CZ3-CG1 4.21Å; W83-V94 HydrophobicContact CZ3-CG2 3.79Å; K89-V94 HydrophobicContact CB-CG2 3.92Å; K89-V94 HydrophobicContact CD-CG2 4.32Å; S90-V94 WeakPolarHBondContact O-CG2 3.26Å; S90-V94 PolarHBondContact O-N 3.39Å; S90-V94 VanDerWaalsContact O-N 3.08Å; P91-V94 PolarHBondContact O-N 2.85Å; V94-E96 PolarHBondContact O-N 2.89Å; V94-H97 CarbonylContact O-C 3.59Å; V94-H97 PolarHBondContact O-N 2.94Å; V94-H97 VanDerWaalsContact O-N 3.15Å; V94-T98 WeakPolarHBondContact O-CB 3.49Å; V94-T98 PolarHBondContact O-N 2.8Å; V94-T98 VanDerWaalsContact O-N 3.12Å; V94-T98 PolarHBondContact O-OG1 3Å
95	F	98.4	Very high	98.1	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.018	25%	0.254	C	S	.	.	H	α-helix	trans	-62.3	-41.5	179.3	-71.8	-54.3	0	0	0	112.9	M48 I77 V80 L81 P91 H97 T98 M117 I119 P120	M48-F95 HydrophobicContact CE-CD1 3.96Å; M48-F95 HydrophobicContact CE-CE1 3.91Å; M48-F95 HydrophobicContact SD-CE1 4.24Å; I77-F95 HydrophobicContact CG1-CE1 4.36Å; I77-F95 HydrophobicContact CG2-CE1 4.44Å; I77-F95 HydrophobicContact CG2-CZ 3.94Å; V80-F95 HydrophobicContact CB-CE1 3.6Å; V80-F95 HydrophobicContact CB-CZ 3.87Å; V80-F95 HydrophobicContact CG1-CD1 3.92Å; V80-F95 HydrophobicContact CG1-CE1 3.42Å; V80-F95 VanDerWaalsContact CG1-CE1 3.42Å; V80-F95 HydrophobicContact CG1-CE2 4.44Å; V80-F95 HydrophobicContact CG1-CZ 3.71Å; V80-F95 HydrophobicContact CG2-CE1 4.08Å; L81-F95 HydrophobicContact CD2-CE2 3.79Å; L81-F95 HydrophobicContact CD2-CZ 4.11Å; L81-F95 HydrophobicContact CG-CE2 4.39Å; L81-F95 HydrophobicContact CG-CZ 4.21Å; P91-F95 HydrophobicContact CB-CD2 4.33Å; P91-F95 HydrophobicContact CB-CE2 4.18Å; P91-F95 WeakPolarHBondContact O-CD2 3.25Å; P91-F95 PolarHBondContact O-N 3.24Å; F95-H97 PolarHBondContact O-N 2.88Å; F95-T98 PolarHBondContact O-N 3.01Å; F95-T98 VanDerWaalsContact O-N 3.11Å; F95-M117 HydrophobicContact CB-CB 4.25Å; F95-M117 VanDerWaalsContact CB-O 3.23Å; F95-M117 WeakPolarHBondContact CB-O 3.14Å; F95-M117 HydrophobicContact CD1-CB 4.33Å; F95-M117 HydrophobicContact CD2-CB 4.25Å; F95-M117 HydrophobicContact CD2-CG 4.39Å; F95-M117 HydrophobicContact CD2-SD 3.93Å; F95-M117 HydrophobicContact CE2-CG 4.38Å; F95-M117 HydrophobicContact CE2-SD 3.73Å; F95-M117 HydrophobicContact CG-CB 4.05Å; F95-M117 HydrophobicContact CZ-CG 4.5Å; F95-M117 HydrophobicContact CZ-SD 4.25Å; F95-I119 HydrophobicContact CB-CD1 3.92Å; F95-I119 HydrophobicContact CD1-CD1 3.74Å; F95-I119 HydrophobicContact CG-CD1 4.27Å; F95-I119 WeakPolarHBondContact O-CD1 3.49Å; F95-P120 WeakPolarHBondContact O-CD 3.34Å
96	E	97.6	Very high	98.1	Very high	53 Å²	53	40.2 Å²	40.2	25%	0.248	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-12.8	178.6	-74.9	-174.4	-147.2	0	0	113.5	S92 E93 V94 K118 R150	S92-E96 WeakPolarHBondContact O-CB 3.34Å; S92-E96 VanDerWaalsContact O-CG 3.27Å; S92-E96 WeakPolarHBondContact O-CG 3.37Å; S92-E96 PolarHBondContact O-N 3.48Å; S92-E96 PolarHBondContact OG-OE1 3.25Å; E93-E96 PolarHBondContact O-N 3.37Å; V94-E96 PolarHBondContact O-N 2.89Å; E96-K118 HydrophobicContact CG-CB 3.81Å; E96-K118 HydrophobicContact CG-CD 3.84Å; E96-K118 WeakPolarHBondContact OE1-CD 3.27Å; E96-K118 IonicContact OE1-NZ 2.77Å; E96-K118 PolarHBondContact OE1-NZ 2.96Å; E96-R150 IonicContact OE1-NH1 3.81Å; E96-R150 IonicContact OE2-CZ 3.87Å; E96-R150 IonicContact OE2-NH1 2.85Å; E96-R150 PolarHBondContact OE2-NH1 3.11Å
97	H	97.7	Very high	98.2	Very high	108 Å²	108	31.9 Å²	31.9	50%	0.5	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	17.1	178.3	-58.6	90.7	0	0	0	113.1	Y50 E93 V94 F95	Y50-H97 HydrophobicContact CD2-CB 3.82Å; Y50-H97 HydrophobicContact CE2-CB 3.73Å; E93-H97 PolarHBondContact O-N 2.82Å; E93-H97 PolarHBondContact O-ND1 3.3Å; V94-H97 CarbonylContact O-C 3.59Å; V94-H97 PolarHBondContact O-N 2.94Å; V94-H97 VanDerWaalsContact O-N 3.15Å; F95-H97 PolarHBondContact O-N 2.88Å
98	T	98.5	Very high	98.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	135.5	-179.4	-70.7	0	0	0	0	110.8	M48 V49 V94 F95 I119 P120	M48-T98 HydrophobicContact CB-CG2 3.66Å; M48-T98 HydrophobicContact CE-CG2 4.04Å; M48-T98 HydrophobicContact CG-CG2 4.12Å; V49-T98 CarbonylContact O-C 3.59Å; V49-T98 VanDerWaalsContact O-CA 3.32Å; V49-T98 WeakPolarHBondContact O-CA 3.33Å; V94-T98 WeakPolarHBondContact O-CB 3.49Å; V94-T98 PolarHBondContact O-N 2.8Å; V94-T98 VanDerWaalsContact O-N 3.12Å; V94-T98 PolarHBondContact O-OG1 3Å; F95-T98 PolarHBondContact O-N 3.01Å; F95-T98 VanDerWaalsContact O-N 3.11Å; T98-I119 HydrophobicContact CG2-CD1 4.18Å; T98-P120 VanDerWaalsContact O-CD 3.28Å; T98-P120 WeakPolarHBondContact O-CD 3.4Å
99	V	98.6	Very high	98.3	Very high	10 Å²	10	32.3 Å²	32.3	6%	0.061	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	133.8	167.1	-175.6	0	0	0	0	108.9	C15 V17 M48 V49 Y101 L121 V123	C15-V99 VanDerWaalsContact SG-CG2 3.53Å; V17-V99 HydrophobicContact CG1-CG1 4.21Å; V17-V99 HydrophobicContact CG1-CG2 3.87Å; M48-V99 WeakPolarHBondContact CA-O 3.42Å; V49-V99 PolarHBondContact N-O 3.45Å; V49-V99 PolarHBondContact O-N 3.39Å; V99-Y101 HydrophobicContact CB-CE2 3.9Å; V99-Y101 HydrophobicContact CG1-CD2 4.25Å; V99-Y101 HydrophobicContact CG1-CE1 4.24Å; V99-Y101 HydrophobicContact CG1-CE2 3.62Å; V99-L121 HydrophobicContact CG1-CB 4.25Å; V99-L121 HydrophobicContact CG1-CD2 3.83Å; V99-L121 HydrophobicContact CG1-CG 3.95Å; V99-L121 HydrophobicContact CG2-CB 4.37Å; V99-L121 HydrophobicContact CG2-CD2 4.14Å; V99-V123 HydrophobicContact CG1-CG2 4.25Å
100	L	98.8	Very high	98.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	132.6	173.6	179.7	141.5	0	0	0	110.7	C46 L47 M48 E73 V102 L114 I119 L121 V122 V123	C46-L100 WeakPolarHBondContact SG-CD1 3.16Å; L47-L100 CarbonylContact O-C 3.48Å; L47-L100 VanDerWaalsContact O-CA 3.32Å; L47-L100 WeakPolarHBondContact O-CA 3.42Å; M48-L100 HydrophobicContact CE-CD1 4.1Å; M48-L100 HydrophobicContact CG-CD1 4.06Å; M48-L100 HydrophobicContact SD-CD1 4.48Å; E73-L100 HydrophobicContact CB-CD1 4.35Å; E73-L100 HydrophobicContact CG-CD1 4.32Å; L100-V102 HydrophobicContact CD2-CB 3.74Å; L100-V102 HydrophobicContact CD2-CG1 3.53Å; L100-L114 HydrophobicContact CD1-CD1 4.18Å; L100-L114 HydrophobicContact CD1-CD2 3.55Å; L100-L114 HydrophobicContact CD2-CD1 4.39Å; L100-I119 HydrophobicContact CB-CG2 4.4Å; L100-L121 PolarHBondContact N-O 3Å; L100-V122 HydrophobicContact CB-CG2 4.37Å; L100-V122 HydrophobicContact CD2-CB 4.45Å; L100-V122 HydrophobicContact CD2-CG1 3.68Å; L100-V122 HydrophobicContact CD2-CG2 4.28Å; L100-V122 CarbonylContact O-C 2.93Å; L100-V122 WeakPolarHBondContact O-CA 3.21Å; L100-V123 PolarHBondContact O-N 3.37Å
101	Y	98.9	Very high	98.4	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.016	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.9	173.2	-58.8	-93	0	0	0	108.4	V17 T22 W25 M26 C46 L47 V49 V99 V123	V17-Y101 WeakPolarHBondContact CG1-OH 3.42Å; T22-Y101 HydrophobicContact CG2-CD1 4.27Å; T22-Y101 HydrophobicContact CG2-CE1 3.92Å; W25-Y101 HydrophobicContact CB-CD1 3.93Å; W25-Y101 HydrophobicContact CB-CD2 3.73Å; W25-Y101 HydrophobicContact CB-CE1 4.06Å; W25-Y101 HydrophobicContact CB-CE2 3.84Å; W25-Y101 HydrophobicContact CB-CG 3.78Å; W25-Y101 AromaticContact CD1-CE2 3.66Å; W25-Y101 AromaticContact CD1-CZ 3.59Å; W25-Y101 HydrophobicContact CG-CD2 4.29Å; W25-Y101 AromaticContact CG-CE2 3.97Å; W25-Y101 HydrophobicContact CG-CE2 3.97Å; M26-Y101 HydrophobicContact CE-CD1 4.47Å; C46-Y101 CarbonylContact C-O 3.5Å; C46-Y101 VanDerWaalsContact CA-O 3.25Å; C46-Y101 WeakPolarHBondContact CA-O 3.48Å; L47-Y101 PolarHBondContact N-O 2.89Å; L47-Y101 PolarHBondContact O-N 3.3Å; V49-Y101 HydrophobicContact CB-CE2 4.04Å; V49-Y101 HydrophobicContact CG2-CD2 3.87Å; V49-Y101 HydrophobicContact CG2-CE2 3.7Å; V99-Y101 HydrophobicContact CB-CE2 3.9Å; V99-Y101 HydrophobicContact CG1-CD2 4.25Å; V99-Y101 HydrophobicContact CG1-CE1 4.24Å; V99-Y101 HydrophobicContact CG1-CE2 3.62Å; Y101-V123 WeakPolarHBondContact CA-O 3.29Å; Y101-V123 HydrophobicContact CD1-CB 3.69Å; Y101-V123 HydrophobicContact CD1-CG1 4.21Å; Y101-V123 HydrophobicContact CD1-CG2 3.88Å; Y101-V123 HydrophobicContact CE1-CB 4.05Å; Y101-V123 HydrophobicContact CE1-CG2 3.69Å; Y101-V123 HydrophobicContact CG-CB 4.5Å
102	V	98.9	Very high	98.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	140.6	-177	61.7	0	0	0	0	111.7	V44 G45 C46 E73 L100 V104 P106 V122 V123 Y124 G125	V44-V102 HydrophobicContact CG1-CG2 3.82Å; G45-V102 WeakPolarHBondContact O-CA 3.45Å; G45-V102 WeakPolarHBondContact O-CG2 3.37Å; C46-V102 HydrophobicContact CB-CB 4.4Å; C46-V102 HydrophobicContact CB-CG2 4.19Å; E73-V102 HydrophobicContact CG-CG2 4.25Å; L100-V102 HydrophobicContact CD2-CB 3.74Å; L100-V102 HydrophobicContact CD2-CG1 3.53Å; V102-V104 VanDerWaalsContact C-N 3.27Å; V102-V104 WeakPolarHBondContact CG1-O 3.09Å; V102-V104 WeakPolarHBondContact CG2-O 3.34Å; V102-V104 PolarHBondContact O-N 3.35Å; V102-P106 HydrophobicContact CG1-CG 4.03Å; V102-V122 HydrophobicContact CG1-CG1 4.34Å; V102-V123 PolarHBondContact N-O 3.47Å; V102-Y124 CarbonylContact O-C 3.53Å; V102-Y124 WeakPolarHBondContact O-CA 3.38Å; V102-Y124 WeakPolarHBondContact O-CB 3.39Å; V102-G125 PolarHBondContact O-N 3.4Å
103	T	98.8	Very high	98.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	-25	-171.8	60.4	0	0	0	0	113.6	M26 A29 M30 A33 V44 G45 G125 C126 A163	M26-T103 HydrophobicContact SD-CG2 4.5Å; A29-T103 HydrophobicContact CB-CG2 4.01Å; A29-T103 WeakPolarHBondContact O-CG2 3.43Å; M30-T103 HydrophobicContact CB-CG2 4.41Å; M30-T103 HydrophobicContact CG-CG2 3.77Å; M30-T103 HydrophobicContact SD-CG2 3.27Å; M30-T103 WeakPolarHBondContact SD-CG2 3.44Å; A33-T103 HydrophobicContact CB-CG2 3.89Å; V44-T103 WeakPolarHBondContact CA-OG1 3.32Å; G45-T103 PolarHBondContact N-OG1 3.06Å; G45-T103 VanDerWaalsContact N-OG1 3.15Å; G45-T103 PolarHBondContact O-N 3.07Å; T103-G125 WeakPolarHBondContact O-CA 3.45Å; T103-G125 PolarHBondContact O-N 3.44Å; T103-C126 PolarHBondContact O-N 3.39Å; T103-C126 VanDerWaalsContact O-N 3.15Å; T103-A163 WeakPolarHBondContact O-CB 3.48Å
104	V	98.8	Very high	98.6	Very high	10 Å²	10	18.7 Å²	18.7	6%	0.061	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	142.7	-179.5	-176	0	0	0	0	109	V44 V102 N128 L167	V44-V104 HydrophobicContact CG1-CB 4.37Å; V44-V104 HydrophobicContact CG2-CB 4.29Å; V44-V104 HydrophobicContact CG2-CG2 3.96Å; V102-V104 VanDerWaalsContact C-N 3.27Å; V102-V104 WeakPolarHBondContact CG1-O 3.09Å; V102-V104 WeakPolarHBondContact CG2-O 3.34Å; V102-V104 PolarHBondContact O-N 3.35Å; V104-N128 HydrophobicContact CG1-CB 4.06Å; V104-L167 HydrophobicContact CG1-CD1 4.38Å; V104-L167 HydrophobicContact CG2-CD1 3.87Å; V104-L167 HydrophobicContact CG2-CD2 4.41Å; V104-L167 HydrophobicContact CG2-CG 4.32Å
105	E	98.9	Very high	98.5	Very high	2 Å²	2	19 Å²	19	1%	0.009	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-48.5	128.5	175.5	-176.4	-164	170.1	0	0	111.4	C107 Y124 C126 N128 G132 C134 G135 S136	E105-C107 PolarHBondContact O-N 3.03Å; E105-Y124 HydrophobicContact CB-CD2 3.79Å; E105-Y124 HydrophobicContact CB-CE2 3.78Å; E105-Y124 HydrophobicContact CB-CG 4.21Å; E105-Y124 HydrophobicContact CG-CD2 4.38Å; E105-Y124 HydrophobicContact CG-CE1 4.15Å; E105-Y124 HydrophobicContact CG-CE2 4.05Å; E105-C126 PolarHBondContact N-O 2.95Å; E105-N128 HydrophobicContact CB-CB 3.79Å; E105-N128 HydrophobicContact CG-CB 4.45Å; E105-N128 WeakPolarHBondContact O-CB 3.42Å; E105-N128 PolarHBondContact O-ND2 2.87Å; E105-N128 PolarHBondContact OE2-N 3.34Å; E105-G132 WeakPolarHBondContact OE1-CA 3.49Å; E105-C134 HydrophobicContact CG-CB 3.77Å; E105-C134 VanDerWaalsContact OE1-C 3.22Å; E105-C134 VanDerWaalsContact OE1-CA 3.31Å; E105-C134 WeakPolarHBondContact OE1-CA 3.4Å; E105-C134 PolarHBondContact OE1-N 3.47Å; E105-G135 PolarHBondContact OE1-N 3.4Å; E105-G135 VanDerWaalsContact OE1-N 3.13Å; E105-S136 PolarHBondContact OE1-N 3.31Å; E105-S136 VanDerWaalsContact OE1-N 3.16Å; E105-S136 WeakPolarHBondContact OE2-CB 3.41Å; E105-S136 PolarHBondContact OE2-OG 2.91Å
106	P	98.8	Very high	98.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-53.6	135.9	178.9	-27.2	33	0	0	0	112.3	E73 V102 C110 A111 L114 V122 G133	E73-P106 VanDerWaalsContact OE1-CA 3.29Å; E73-P106 WeakPolarHBondContact OE1-CA 3.25Å; E73-P106 WeakPolarHBondContact OE1-CB 3.39Å; V102-P106 HydrophobicContact CG1-CG 4.03Å; P106-C110 HydrophobicContact CB-CB 3.98Å; P106-A111 HydrophobicContact CB-CB 4.38Å; P106-L114 HydrophobicContact CB-CD1 4.38Å; P106-L114 HydrophobicContact CG-CD1 4.16Å; P106-V122 HydrophobicContact CG-CG1 3.99Å; P106-G133 PolarHBondContact O-N 3.23Å
107	C	98.8	Very high	98.5	Very high	15 Å²	15	24 Å²	24	10%	0.101	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-68.5	167.7	172.1	75.2	0	0	0	0	111.3	H71 E105 M109 C110 A111 F131	H71-C107 PolarHBondContact ND1-SG 3.26Å; E105-C107 PolarHBondContact O-N 3.03Å; C107-M109 PolarHBondContact O-N 3.1Å; C107-M109 VanDerWaalsContact O-N 3.15Å; C107-C110 PolarHBondContact O-N 3.05Å; C107-C110 VanDerWaalsContact O-N 3.07Å; C107-C110 PolarHBondContact SG-SG 3.33Å; C107-A111 WeakPolarHBondContact O-CB 3.34Å; C107-A111 PolarHBondContact O-N 3.25Å; C107-F131 CarbonylContact C-O 3.56Å; C107-F131 WeakPolarHBondContact CA-O 3.08Å; C107-F131 HydrophobicContact CB-CB 4.01Å
108	I	98.6	Very high	98.4	Very high	63 Å²	63	21.9 Å²	21.9	32%	0.323	12%	0.118	S	C	.	.	H	α-helix	trans	-49.1	-43.1	178.3	-65.7	158.5	0	0	0	112.8	A112 F131 L138 I140	I108-A112 WeakPolarHBondContact O-CB 3.44Å; I108-A112 PolarHBondContact O-N 3.15Å; I108-F131 PolarHBondContact N-O 3.49Å; I108-L138 HydrophobicContact CD1-CB 4.42Å; I108-L138 HydrophobicContact CD1-CD1 3.66Å; I108-L138 HydrophobicContact CD1-CG 4.01Å; I108-L138 HydrophobicContact CG1-CB 4.2Å; I108-L138 HydrophobicContact CG1-CD1 4Å; I108-L138 HydrophobicContact CG1-CG 4.32Å; I108-L138 HydrophobicContact CG2-CD1 4.4Å; I108-I140 HydrophobicContact CG2-CD1 4.33Å; I108-I140 HydrophobicContact CG2-CG1 4.18Å
109	M	98.6	Very high	98.4	Very high	70 Å²	70	21.9 Å²	21.9	35%	0.345	12%	0.118	S	C	.	.	H	α-helix	trans	-63	-51.8	177.8	177	-169.8	73.8	0	0	111.6	T69 H71 M74 C107 A112 A113	T69-M109 HydrophobicContact CG2-SD 4.22Å; H71-M109 HydrophobicContact CB-CE 4.29Å; H71-M109 VanDerWaalsContact ND1-CE 3.33Å; H71-M109 WeakPolarHBondContact ND1-CE 3.33Å; M74-M109 HydrophobicContact CG-CE 4.03Å; C107-M109 PolarHBondContact O-N 3.1Å; C107-M109 VanDerWaalsContact O-N 3.15Å; M109-A112 PolarHBondContact O-N 2.9Å; M109-A113 PolarHBondContact O-N 3.15Å
110	C	98.8	Very high	98.4	Very high	1 Å²	1	23 Å²	23	1%	0.007	13%	0.126	C	C	.	.	H	α-helix	trans	-64.3	-43.8	-178.6	-60.8	0	0	0	0	110.7	H71 E73 P106 C107 A112 A113 L114	H71-C110 PolarHBondContact ND1-SG 3.46Å; H71-C110 VanDerWaalsContact ND1-SG 3.39Å; E73-C110 HydrophobicContact CB-CB 4.08Å; E73-C110 HydrophobicContact CG-CB 4.05Å; E73-C110 WeakPolarHBondContact OE1-CB 3Å; E73-C110 PolarHBondContact OE1-SG 2.63Å; E73-C110 PolarHBondContact OE2-SG 2.9Å; P106-C110 HydrophobicContact CB-CB 3.98Å; C107-C110 PolarHBondContact O-N 3.05Å; C107-C110 VanDerWaalsContact O-N 3.07Å; C107-C110 PolarHBondContact SG-SG 3.33Å; C110-A112 VanDerWaalsContact C-N 3.31Å; C110-A112 PolarHBondContact O-N 3.12Å; C110-A113 WeakPolarHBondContact O-CB 3.49Å; C110-A113 PolarHBondContact O-N 3.01Å; C110-A113 VanDerWaalsContact O-N 3.12Å; C110-L114 VanDerWaalsContact O-CG 3.23Å; C110-L114 WeakPolarHBondContact O-CG 3.5Å; C110-L114 PolarHBondContact O-N 3.07Å
111	A	98.7	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58.4	-41.9	175.6	0	0	0	0	0	112.1	P106 C107 L114 R115 I140 F152	P106-A111 HydrophobicContact CB-CB 4.38Å; C107-A111 WeakPolarHBondContact O-CB 3.34Å; C107-A111 PolarHBondContact O-N 3.25Å; A111-L114 PolarHBondContact O-N 3.48Å; A111-R115 WeakPolarHBondContact O-CB 3.45Å; A111-R115 PolarHBondContact O-N 3.37Å; A111-I140 HydrophobicContact CB-CB 3.9Å; A111-I140 HydrophobicContact CB-CG1 4.43Å; A111-I140 HydrophobicContact CB-CG2 4.18Å; A111-F152 HydrophobicContact CB-CZ 4.22Å; A111-F152 WeakPolarHBondContact O-CE1 3.08Å
112	A	98.3	Very high	98.4	Very high	38 Å²	38	22.9 Å²	22.9	31%	0.314	13%	0.125	S	C	.	.	H	α-helix	trans	-64.7	-41	174.6	0	0	0	0	0	112.3	I108 M109 C110 R115 L116 I140	I108-A112 WeakPolarHBondContact O-CB 3.44Å; I108-A112 PolarHBondContact O-N 3.15Å; M109-A112 PolarHBondContact O-N 2.9Å; C110-A112 VanDerWaalsContact C-N 3.31Å; C110-A112 PolarHBondContact O-N 3.12Å; A112-R115 WeakPolarHBondContact O-CB 3.48Å; A112-R115 PolarHBondContact O-N 2.76Å; A112-L116 WeakPolarHBondContact O-CG 3.17Å; A112-L116 PolarHBondContact O-N 2.81Å; A112-I140 HydrophobicContact CB-CG2 4.24Å
113	A	98.4	Very high	98.4	Very high	14 Å²	14	22.9 Å²	22.9	12%	0.116	13%	0.125	C	C	.	.	H	α-helix	trans	-62.1	-45	176	0	0	0	0	0	112	M74 I77 M109 C110 R115 L116 M117	M74-A113 HydrophobicContact CE-CB 4.34Å; M74-A113 HydrophobicContact SD-CB 3.67Å; I77-A113 HydrophobicContact CD1-CB 4.29Å; M109-A113 PolarHBondContact O-N 3.15Å; C110-A113 WeakPolarHBondContact O-CB 3.49Å; C110-A113 PolarHBondContact O-N 3.01Å; C110-A113 VanDerWaalsContact O-N 3.12Å; A113-R115 VanDerWaalsContact C-N 3.3Å; A113-R115 PolarHBondContact O-N 3.29Å; A113-L116 WeakPolarHBondContact O-CB 3.42Å; A113-L116 PolarHBondContact O-N 3.35Å; A113-L116 VanDerWaalsContact O-N 3.16Å; A113-M117 WeakPolarHBondContact O-CG 3.46Å; A113-M117 PolarHBondContact O-N 3.41Å
114	L	98.4	Very high	98.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.8	-38.6	177.5	-64.4	171.8	0	0	0	112.1	M48 I77 L100 P106 C110 A111 M117 K118 I119 V122 F152	M48-L114 HydrophobicContact CE-CD2 4.28Å; I77-L114 HydrophobicContact CD1-CD2 4.3Å; L100-L114 HydrophobicContact CD1-CD1 4.18Å; L100-L114 HydrophobicContact CD1-CD2 3.55Å; L100-L114 HydrophobicContact CD2-CD1 4.39Å; P106-L114 HydrophobicContact CB-CD1 4.38Å; P106-L114 HydrophobicContact CG-CD1 4.16Å; C110-L114 VanDerWaalsContact O-CG 3.23Å; C110-L114 WeakPolarHBondContact O-CG 3.5Å; C110-L114 PolarHBondContact O-N 3.07Å; A111-L114 PolarHBondContact O-N 3.48Å; L114-M117 CarbonylContact O-C 3.56Å; L114-M117 PolarHBondContact O-N 2.66Å; L114-K118 PolarHBondContact O-N 3.32Å; L114-I119 HydrophobicContact CB-CB 4.4Å; L114-I119 HydrophobicContact CB-CG1 4.36Å; L114-I119 HydrophobicContact CD2-CB 4.47Å; L114-I119 HydrophobicContact CD2-CG1 3.8Å; L114-I119 PolarHBondContact O-N 3.35Å; L114-I119 VanDerWaalsContact O-N 3.12Å; L114-V122 HydrophobicContact CD1-CG2 3.91Å; L114-F152 HydrophobicContact CB-CE1 4.15Å; L114-F152 HydrophobicContact CB-CZ 4.44Å
115	R	97.8	Very high	98.3	Very high	6 Å²	6	23 Å²	23	2%	0.023	13%	0.126	C	C	.	.	H	α-helix	trans	-61.4	-43.8	173.8	-160.3	-173.7	170.7	97.3	-3	112.1	A111 A112 A113 K118 I140 A141 A143 T148 G149 R150 F152	A111-R115 WeakPolarHBondContact O-CB 3.45Å; A111-R115 PolarHBondContact O-N 3.37Å; A112-R115 WeakPolarHBondContact O-CB 3.48Å; A112-R115 PolarHBondContact O-N 2.76Å; A113-R115 VanDerWaalsContact C-N 3.3Å; A113-R115 PolarHBondContact O-N 3.29Å; R115-K118 PolarHBondContact O-N 3.4Å; R115-K118 VanDerWaalsContact O-N 3.14Å; R115-I140 PolarHBondContact NH1-O 2.77Å; R115-A141 PolarHBondContact NH1-O 2.95Å; R115-A143 PolarHBondContact NH1-O 3.3Å; R115-A143 VanDerWaalsContact NH1-O 3.08Å; R115-A143 PolarHBondContact NH2-O 3.1Å; R115-T148 WeakPolarHBondContact CD-O 3.41Å; R115-T148 VanDerWaalsContact CG-O 3.27Å; R115-T148 WeakPolarHBondContact CG-O 3.37Å; R115-T148 PolarHBondContact NE-OG1 3.43Å; R115-T148 VanDerWaalsContact NE-OG1 3.13Å; R115-G149 WeakPolarHBondContact O-CA 3.37Å; R115-R150 WeakPolarHBondContact CG-O 3.27Å; R115-R150 PolarHBondContact O-N 3.01Å; R115-R150 VanDerWaalsContact O-N 3.08Å; R115-F152 HydrophobicContact CB-CD1 4.4Å; R115-F152 HydrophobicContact CB-CE1 4.25Å
116	L	97.4	Very high	98.3	Very high	100 Å²	100	23.2 Å²	23.2	52%	0.524	13%	0.127	S	C	.	.	H	α-helix	trans	-66.8	-37.1	177	-70.6	170.7	0	0	0	112.3	A112 A113 K118	A112-L116 WeakPolarHBondContact O-CG 3.17Å; A112-L116 PolarHBondContact O-N 2.81Å; A113-L116 WeakPolarHBondContact O-CB 3.42Å; A113-L116 PolarHBondContact O-N 3.35Å; A113-L116 VanDerWaalsContact O-N 3.16Å; L116-K118 PolarHBondContact O-N 3.31Å
117	M	97.4	Very high	98.3	Very high	64 Å²	64	29.1 Å²	29.1	32%	0.315	16%	0.155	S	C	.	.	H	α-helix	trans	-74.4	-9.8	173.8	-63.6	-53.6	114.3	0	0	112.9	I77 F95 A113 L114 I119	I77-M117 HydrophobicContact CD1-CG 4.3Å; F95-M117 HydrophobicContact CB-CB 4.25Å; F95-M117 VanDerWaalsContact CB-O 3.23Å; F95-M117 WeakPolarHBondContact CB-O 3.14Å; F95-M117 HydrophobicContact CD1-CB 4.33Å; F95-M117 HydrophobicContact CD2-CB 4.25Å; F95-M117 HydrophobicContact CD2-CG 4.39Å; F95-M117 HydrophobicContact CD2-SD 3.93Å; F95-M117 HydrophobicContact CE2-CG 4.38Å; F95-M117 HydrophobicContact CE2-SD 3.73Å; F95-M117 HydrophobicContact CG-CB 4.05Å; F95-M117 HydrophobicContact CZ-CG 4.5Å; F95-M117 HydrophobicContact CZ-SD 4.25Å; A113-M117 WeakPolarHBondContact O-CG 3.46Å; A113-M117 PolarHBondContact O-N 3.41Å; L114-M117 CarbonylContact O-C 3.56Å; L114-M117 PolarHBondContact O-N 2.66Å; M117-I119 VanDerWaalsContact C-N 3.3Å; M117-I119 HydrophobicContact CB-CG1 4.23Å; M117-I119 PolarHBondContact O-N 3.15Å
118	K	97.3	Very high	98.3	Very high	63 Å²	63	29.8 Å²	29.8	27%	0.274	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	37.1	-178.1	-50.2	163.9	179.5	166.2	0	113	E96 L114 R115 L116 P120 R150	E96-K118 HydrophobicContact CG-CB 3.81Å; E96-K118 HydrophobicContact CG-CD 3.84Å; E96-K118 WeakPolarHBondContact OE1-CD 3.27Å; E96-K118 IonicContact OE1-NZ 2.77Å; E96-K118 PolarHBondContact OE1-NZ 2.96Å; L114-K118 PolarHBondContact O-N 3.32Å; R115-K118 PolarHBondContact O-N 3.4Å; R115-K118 VanDerWaalsContact O-N 3.14Å; L116-K118 PolarHBondContact O-N 3.31Å; K118-P120 WeakPolarHBondContact O-CD 3.41Å; K118-R150 HydrophobicContact CB-CB 4.47Å; K118-R150 HydrophobicContact CG-CB 4.36Å; K118-R150 HydrophobicContact CG-CG 4.16Å
119	I	98.3	Very high	98.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.179	C	C	.	.			trans	-58.4	126.1	170.1	-64.2	-55.5	0	0	0	108.6	M48 F95 T98 L100 L114 M117 L121 V122 F152	M48-I119 HydrophobicContact CE-CD1 3.44Å; M48-I119 VanDerWaalsContact CE-CD1 3.44Å; M48-I119 HydrophobicContact CE-CG1 3.93Å; F95-I119 HydrophobicContact CB-CD1 3.92Å; F95-I119 HydrophobicContact CD1-CD1 3.74Å; F95-I119 HydrophobicContact CG-CD1 4.27Å; F95-I119 WeakPolarHBondContact O-CD1 3.49Å; T98-I119 HydrophobicContact CG2-CD1 4.18Å; L100-I119 HydrophobicContact CB-CG2 4.4Å; L114-I119 HydrophobicContact CB-CB 4.4Å; L114-I119 HydrophobicContact CB-CG1 4.36Å; L114-I119 HydrophobicContact CD2-CB 4.47Å; L114-I119 HydrophobicContact CD2-CG1 3.8Å; L114-I119 PolarHBondContact O-N 3.35Å; L114-I119 VanDerWaalsContact O-N 3.12Å; M117-I119 VanDerWaalsContact C-N 3.3Å; M117-I119 HydrophobicContact CB-CG1 4.23Å; M117-I119 PolarHBondContact O-N 3.15Å; I119-L121 WeakPolarHBondContact CG2-O 3.48Å; I119-V122 HydrophobicContact CG2-CG2 4.19Å; I119-F152 WeakPolarHBondContact O-CB 3.49Å
120	P	97.7	Very high	97.9	Very high	33 Å²	33	40.2 Å²	40.2	21%	0.214	20%	0.195	C	C	.	.			trans	-76.3	-32.2	-177.3	28	-37	0	0	0	113.7	C15 F95 T98 K118 Q153	C15-P120 HydrophobicContact CB-CB 4.09Å; C15-P120 HydrophobicContact CB-CG 4.12Å; F95-P120 WeakPolarHBondContact O-CD 3.34Å; T98-P120 VanDerWaalsContact O-CD 3.28Å; T98-P120 WeakPolarHBondContact O-CD 3.4Å; K118-P120 WeakPolarHBondContact O-CD 3.41Å; P120-Q153 PolarHBondContact O-N 3.19Å
121	L	98.4	Very high	97.9	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	132.7	-169.4	179	63.9	0	0	0	112.1	C15 V17 V99 L100 I119 Q153 I155	C15-L121 HydrophobicContact CB-CB 4.4Å; V17-L121 HydrophobicContact CG1-CD2 3.94Å; V17-L121 HydrophobicContact CG2-CD2 3.92Å; V99-L121 HydrophobicContact CG1-CB 4.25Å; V99-L121 HydrophobicContact CG1-CD2 3.83Å; V99-L121 HydrophobicContact CG1-CG 3.95Å; V99-L121 HydrophobicContact CG2-CB 4.37Å; V99-L121 HydrophobicContact CG2-CD2 4.14Å; L100-L121 PolarHBondContact N-O 3Å; I119-L121 WeakPolarHBondContact CG2-O 3.48Å; L121-Q153 HydrophobicContact CD1-CB 3.78Å; L121-I155 HydrophobicContact CD1-CD1 3.83Å; L121-I155 HydrophobicContact CD1-CG1 3.92Å; L121-I155 HydrophobicContact CD2-CD1 4.27Å
122	V	98.7	Very high	97.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	119.8	173.4	175	0	0	0	0	109.4	L100 V102 P106 L114 I119 Y124 F152 Q153 C154 I155	L100-V122 HydrophobicContact CB-CG2 4.37Å; L100-V122 HydrophobicContact CD2-CB 4.45Å; L100-V122 HydrophobicContact CD2-CG1 3.68Å; L100-V122 HydrophobicContact CD2-CG2 4.28Å; L100-V122 CarbonylContact O-C 2.93Å; L100-V122 WeakPolarHBondContact O-CA 3.21Å; V102-V122 HydrophobicContact CG1-CG1 4.34Å; P106-V122 HydrophobicContact CG-CG1 3.99Å; L114-V122 HydrophobicContact CD1-CG2 3.91Å; I119-V122 HydrophobicContact CG2-CG2 4.19Å; V122-Y124 HydrophobicContact CG1-CD1 4.33Å; V122-F152 HydrophobicContact CB-CD2 4.11Å; V122-F152 HydrophobicContact CB-CE2 4.02Å; V122-F152 HydrophobicContact CG2-CD2 3.59Å; V122-F152 HydrophobicContact CG2-CE2 3.54Å; V122-F152 HydrophobicContact CG2-CG 4.45Å; V122-F152 HydrophobicContact CG2-CZ 4.37Å; V122-Q153 PolarHBondContact N-O 3.19Å; V122-C154 CarbonylContact O-C 3.51Å; V122-C154 VanDerWaalsContact O-CA 3.24Å; V122-C154 WeakPolarHBondContact O-CA 3.44Å; V122-I155 PolarHBondContact O-N 3.49Å
123	V	98.8	Very high	97.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.8	167.2	-171.9	0	0	0	0	108.4	V17 T22 M26 V99 L100 Y101 V102 I155 Y158	V17-V123 HydrophobicContact CG2-CG2 4.38Å; T22-V123 HydrophobicContact CG2-CB 4.45Å; T22-V123 HydrophobicContact CG2-CG1 3.61Å; T22-V123 HydrophobicContact CG2-CG2 4.35Å; M26-V123 HydrophobicContact CE-CB 4.32Å; M26-V123 HydrophobicContact CE-CG1 3.82Å; V99-V123 HydrophobicContact CG1-CG2 4.25Å; L100-V123 PolarHBondContact O-N 3.37Å; Y101-V123 WeakPolarHBondContact CA-O 3.29Å; Y101-V123 HydrophobicContact CD1-CB 3.69Å; Y101-V123 HydrophobicContact CD1-CG1 4.21Å; Y101-V123 HydrophobicContact CD1-CG2 3.88Å; Y101-V123 HydrophobicContact CE1-CB 4.05Å; Y101-V123 HydrophobicContact CE1-CG2 3.69Å; Y101-V123 HydrophobicContact CG-CB 4.5Å; V102-V123 PolarHBondContact N-O 3.47Å; V123-I155 CarbonylContact C-O 3.56Å; V123-I155 WeakPolarHBondContact CA-O 3.36Å; V123-I155 HydrophobicContact CG1-CB 4.34Å; V123-I155 WeakPolarHBondContact CG1-O 3.47Å; V123-I155 HydrophobicContact CG2-CB 4.28Å; V123-I155 HydrophobicContact CG2-CD1 4.4Å; V123-Y158 HydrophobicContact CG1-CD2 3.63Å; V123-Y158 HydrophobicContact CG1-CE2 4.21Å; V123-Y158 HydrophobicContact CG1-CG 4.13Å
124	Y	98.8	Very high	97.8	Very high	12 Å²	12	44.1 Å²	44.1	5%	0.047	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	157.3	174.1	66.6	-97.5	0	0	0	114.5	V102 E105 V122 Q127 C134 C154 I155 P156 G157 Y158	V102-Y124 CarbonylContact O-C 3.53Å; V102-Y124 WeakPolarHBondContact O-CA 3.38Å; V102-Y124 WeakPolarHBondContact O-CB 3.39Å; E105-Y124 HydrophobicContact CB-CD2 3.79Å; E105-Y124 HydrophobicContact CB-CE2 3.78Å; E105-Y124 HydrophobicContact CB-CG 4.21Å; E105-Y124 HydrophobicContact CG-CD2 4.38Å; E105-Y124 HydrophobicContact CG-CE1 4.15Å; E105-Y124 HydrophobicContact CG-CE2 4.05Å; V122-Y124 HydrophobicContact CG1-CD1 4.33Å; Y124-Q127 HydrophobicContact CE2-CG 4.46Å; Y124-C134 HydrophobicContact CE1-CB 4.18Å; Y124-C154 HydrophobicContact CE1-CB 3.97Å; Y124-I155 PolarHBondContact N-O 3.39Å; Y124-P156 HydrophobicContact CD2-CB 4.23Å; Y124-P156 HydrophobicContact CE1-CB 4.21Å; Y124-P156 HydrophobicContact CE2-CB 3.5Å; Y124-P156 VanDerWaalsContact CE2-CB 3.5Å; Y124-P156 CarbonylContact O-C 3.59Å; Y124-P156 VanDerWaalsContact O-C 3.31Å; Y124-P156 WeakPolarHBondContact O-CA 3.39Å; Y124-G157 PolarHBondContact O-N 3.35Å; Y124-Y158 PolarHBondContact O-N 3.3Å
125	G	98.6	Very high	97.8	Very high	2 Å²	2	46.2 Å²	46.2	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	-98.7	176.5	0	0	0	0	0	112.9	V102 T103 G157 Y158	V102-G125 PolarHBondContact O-N 3.4Å; T103-G125 WeakPolarHBondContact O-CA 3.45Å; T103-G125 PolarHBondContact O-N 3.44Å; G125-G157 WeakPolarHBondContact O-CA 3.18Å; G125-G157 PolarHBondContact O-N 2.82Å; G125-Y158 WeakPolarHBondContact CA-O 3.35Å
126	C	98.5	Very high	97.8	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.034	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	158.5	-176.9	69.5	0	0	0	0	113.1	T103 E105 A160 A163 V164	T103-C126 PolarHBondContact O-N 3.39Å; T103-C126 VanDerWaalsContact O-N 3.15Å; E105-C126 PolarHBondContact N-O 2.95Å; C126-A160 HydrophobicContact CB-CB 4.13Å; C126-A163 HydrophobicContact CB-CB 4.17Å; C126-V164 HydrophobicContact CB-CG2 3.48Å; C126-V164 VanDerWaalsContact CB-CG2 3.48Å
127	Q	98.3	Very high	97.8	Very high	125 Å²	125	46.4 Å²	46.4	58%	0.584	23%	0.233	S	C	*	.			trans	-69.8	152.8	173.7	-76.1	-178.5	-14.5	0	0	112	Y124 S136	Y124-Q127 HydrophobicContact CE2-CG 4.46Å; Q127-S136 WeakPolarHBondContact CB-OG 3.46Å
128	N	97.8	Very high	97.8	Very high	28 Å²	28	47.5 Å²	47.5	15%	0.15	24%	0.24	C	C	.	.			trans	-108.1	86.7	175.7	-175.8	-15.4	0	0	0	109.8	V104 E105 R130 F131 G132 S136	V104-N128 HydrophobicContact CG1-CB 4.06Å; E105-N128 HydrophobicContact CB-CB 3.79Å; E105-N128 HydrophobicContact CG-CB 4.45Å; E105-N128 WeakPolarHBondContact O-CB 3.42Å; E105-N128 PolarHBondContact O-ND2 2.87Å; E105-N128 PolarHBondContact OE2-N 3.34Å; N128-R130 PolarHBondContact O-N 3.17Å; N128-R130 VanDerWaalsContact O-N 3.08Å; N128-R130 PolarHBondContact OD1-N 3.33Å; N128-F131 PolarHBondContact O-N 3.22Å; N128-F131 PolarHBondContact OD1-N 3.33Å; N128-G132 VanDerWaalsContact O-CA 3.28Å; N128-G132 WeakPolarHBondContact O-CA 3.25Å; N128-G132 PolarHBondContact O-N 3Å; N128-S136 VanDerWaalsContact O-CB 3.26Å; N128-S136 WeakPolarHBondContact O-CB 3.39Å
129	E	94.8	Very high	97.8	Very high	167 Å²	167	47.8 Å²	47.8	78%	0.78	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.7	-173.7	-61.4	-178	167.5	0	0	114.4
130	R	95.1	Very high	97.8	Very high	185 Å²	185	49 Å²	49	70%	0.698	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-33.4	-175.9	-69.4	-173.5	175.5	-173.5	-0.7	113.7	N128	N128-R130 PolarHBondContact O-N 3.17Å; N128-R130 VanDerWaalsContact O-N 3.08Å; N128-R130 PolarHBondContact OD1-N 3.33Å
131	F	97.8	Very high	97.6	Very high	125 Å²	125	47.5 Å²	47.5	55%	0.548	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.1	5.2	-169.4	-50.3	-65.4	0	0	0	114.1	C107 I108 N128 G133	C107-F131 CarbonylContact C-O 3.56Å; C107-F131 WeakPolarHBondContact CA-O 3.08Å; C107-F131 HydrophobicContact CB-CB 4.01Å; I108-F131 PolarHBondContact N-O 3.49Å; N128-F131 PolarHBondContact O-N 3.22Å; N128-F131 PolarHBondContact OD1-N 3.33Å; F131-G133 PolarHBondContact O-N 2.8Å
132	G	98.4	Very high	97.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-58.9	124.6	-172	0	0	0	0	0	113.6	E105 N128 V137 L138	E105-G132 WeakPolarHBondContact OE1-CA 3.49Å; N128-G132 VanDerWaalsContact O-CA 3.28Å; N128-G132 WeakPolarHBondContact O-CA 3.25Å; N128-G132 PolarHBondContact O-N 3Å; G132-V137 WeakPolarHBondContact O-CB 3.29Å; G132-V137 PolarHBondContact O-N 3.39Å; G132-L138 PolarHBondContact O-N 3.37Å
133	G	98.4	Very high	97.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	1.9	-179.6	0	0	0	0	0	114	P106 F131 L138 I140 A141	P106-G133 PolarHBondContact O-N 3.23Å; F131-G133 PolarHBondContact O-N 2.8Å; G133-L138 CarbonylContact C-O 3.47Å; G133-L138 VanDerWaalsContact CA-O 3.28Å; G133-L138 WeakPolarHBondContact CA-O 3.45Å; G133-L138 VanDerWaalsContact O-O 3.12Å; G133-I140 WeakPolarHBondContact O-CA 3.3Å; G133-I140 WeakPolarHBondContact O-CB 3.37Å; G133-I140 PolarHBondContact O-N 3.43Å; G133-A141 PolarHBondContact O-N 3.4Å
134	C	98.1	Very high	97	Very high	10 Å²	10	60 Å²	60	7%	0.068	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-115.9	19	-177.1	-59.5	0	0	0	0	112.4	E105 Y124 L138 A141	E105-C134 HydrophobicContact CG-CB 3.77Å; E105-C134 VanDerWaalsContact OE1-C 3.22Å; E105-C134 VanDerWaalsContact OE1-CA 3.31Å; E105-C134 WeakPolarHBondContact OE1-CA 3.4Å; E105-C134 PolarHBondContact OE1-N 3.47Å; Y124-C134 HydrophobicContact CE1-CB 4.18Å; C134-L138 PolarHBondContact N-O 2.81Å; C134-A141 HydrophobicContact CB-CB 4.33Å
135	G	97.3	Very high	96.6	Very high	45 Å²	45	62.4 Å²	62.4	46%	0.464	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	139.6	-28.1	175.1	0	0	0	0	0	115.1	E105 L138	E105-G135 PolarHBondContact OE1-N 3.4Å; E105-G135 VanDerWaalsContact OE1-N 3.13Å; G135-L138 PolarHBondContact N-O 2.79Å
136	S	97.7	Very high	96.1	Very high	39 Å²	39	67 Å²	67	27%	0.273	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-41.4	-173.9	-65.2	0	0	0	0	113.7	E105 Q127 N128	E105-S136 PolarHBondContact OE1-N 3.31Å; E105-S136 VanDerWaalsContact OE1-N 3.16Å; E105-S136 WeakPolarHBondContact OE2-CB 3.41Å; E105-S136 PolarHBondContact OE2-OG 2.91Å; Q127-S136 WeakPolarHBondContact CB-OG 3.46Å; N128-S136 VanDerWaalsContact O-CB 3.26Å; N128-S136 WeakPolarHBondContact O-CB 3.39Å
137	V	98.1	Very high	95.6	Very high	70 Å²	70	74.9 Å²	74.9	42%	0.424	40%	0.403	S	S	.	.	S	Bend	trans	-117.2	-54.3	176.9	-177.9	0	0	0	0	110.6	G132	G132-V137 WeakPolarHBondContact O-CB 3.29Å; G132-V137 PolarHBondContact O-N 3.39Å
138	L	97.1	Very high	95.3	Very high	87 Å²	87	71.4 Å²	71.4	46%	0.455	39%	0.391	S	S	.	.			trans	-125.5	157.9	170.5	-63.8	-178.6	0	0	0	109	I108 G132 G133 C134 G135 I140	I108-L138 HydrophobicContact CD1-CB 4.42Å; I108-L138 HydrophobicContact CD1-CD1 3.66Å; I108-L138 HydrophobicContact CD1-CG 4.01Å; I108-L138 HydrophobicContact CG1-CB 4.2Å; I108-L138 HydrophobicContact CG1-CD1 4Å; I108-L138 HydrophobicContact CG1-CG 4.32Å; I108-L138 HydrophobicContact CG2-CD1 4.4Å; G132-L138 PolarHBondContact O-N 3.37Å; G133-L138 CarbonylContact C-O 3.47Å; G133-L138 VanDerWaalsContact CA-O 3.28Å; G133-L138 WeakPolarHBondContact CA-O 3.45Å; G133-L138 VanDerWaalsContact O-O 3.12Å; C134-L138 PolarHBondContact N-O 2.81Å; G135-L138 PolarHBondContact N-O 2.79Å; L138-I140 HydrophobicContact CB-CD1 4.23Å; L138-I140 HydrophobicContact CB-CG1 4.37Å; L138-I140 HydrophobicContact CD1-CD1 4.34Å
139	N	96.8	Very high	95	Very high	70 Å²	70	71.8 Å²	71.8	37%	0.374	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-113.3	70.9	175.6	-169.5	-11.2	0	0	0	110.8	A141 S142 A143	N139-A141 PolarHBondContact O-N 3.29Å; N139-S142 VanDerWaalsContact CG-OG 3.25Å; N139-S142 PolarHBondContact ND2-OG 3.39Å; N139-S142 PolarHBondContact OD1-N 3.48Å; N139-S142 PolarHBondContact OD1-OG 2.9Å; N139-A143 WeakPolarHBondContact O-CB 3.35Å; N139-A143 PolarHBondContact O-N 3.42Å
140	I	97.7	Very high	95	Very high	24 Å²	24	70 Å²	70	12%	0.123	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-31	175.5	-53.4	-57.7	0	0	0	111.1	I108 A111 A112 R115 G133 L138 S142 L145	I108-I140 HydrophobicContact CG2-CD1 4.33Å; I108-I140 HydrophobicContact CG2-CG1 4.18Å; A111-I140 HydrophobicContact CB-CB 3.9Å; A111-I140 HydrophobicContact CB-CG1 4.43Å; A111-I140 HydrophobicContact CB-CG2 4.18Å; A112-I140 HydrophobicContact CB-CG2 4.24Å; R115-I140 PolarHBondContact NH1-O 2.77Å; G133-I140 WeakPolarHBondContact O-CA 3.3Å; G133-I140 WeakPolarHBondContact O-CB 3.37Å; G133-I140 PolarHBondContact O-N 3.43Å; L138-I140 HydrophobicContact CB-CD1 4.23Å; L138-I140 HydrophobicContact CB-CG1 4.37Å; L138-I140 HydrophobicContact CD1-CD1 4.34Å; I140-S142 PolarHBondContact O-N 2.94Å; I140-L145 HydrophobicContact CD1-CD1 4.21Å; I140-L145 HydrophobicContact CG2-CD1 4.44Å
141	A	95.3	Very high	95.1	Very high	3 Å²	3	65 Å²	65	3%	0.025	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-46	179.4	0	0	0	0	0	112.5	R115 G133 C134 N139 P151 F152	R115-A141 PolarHBondContact NH1-O 2.95Å; G133-A141 PolarHBondContact O-N 3.4Å; C134-A141 HydrophobicContact CB-CB 4.33Å; N139-A141 PolarHBondContact O-N 3.29Å; A141-P151 WeakPolarHBondContact O-CA 3.33Å; A141-P151 WeakPolarHBondContact O-CB 3.44Å; A141-F152 HydrophobicContact CB-CD1 4.48Å; A141-F152 HydrophobicContact CB-CD2 3.94Å; A141-F152 HydrophobicContact CB-CE1 4.05Å; A141-F152 HydrophobicContact CB-CE2 3.45Å; A141-F152 VanDerWaalsContact CB-CE2 3.45Å; A141-F152 HydrophobicContact CB-CG 4.42Å; A141-F152 HydrophobicContact CB-CZ 3.52Å; A141-F152 PolarHBondContact O-N 2.96Å; A141-F152 VanDerWaalsContact O-N 3.07Å
142	S	95.1	Very high	95.1	Very high	77 Å²	77	59.6 Å²	59.6	54%	0.538	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-2.6	-175.9	81	0	0	0	0	115.4	N139 I140	N139-S142 VanDerWaalsContact CG-OG 3.25Å; N139-S142 PolarHBondContact ND2-OG 3.39Å; N139-S142 PolarHBondContact OD1-N 3.48Å; N139-S142 PolarHBondContact OD1-OG 2.9Å; I140-S142 PolarHBondContact O-N 2.94Å
143	A	93.7	Very high	95.1	Very high	33 Å²	33	64.6 Å²	64.6	27%	0.273	38%	0.379	S	S	.	.	S	Bend	trans	-62	146.1	178.7	0	0	0	0	0	112.2	R115 N139 L145	R115-A143 PolarHBondContact NH1-O 3.3Å; R115-A143 VanDerWaalsContact NH1-O 3.08Å; R115-A143 PolarHBondContact NH2-O 3.1Å; N139-A143 WeakPolarHBondContact O-CB 3.35Å; N139-A143 PolarHBondContact O-N 3.42Å; A143-L145 HydrophobicContact CB-CD1 3.92Å; A143-L145 HydrophobicContact CB-CD2 4.43Å; A143-L145 HydrophobicContact CB-CG 3.77Å; A143-L145 PolarHBondContact O-N 2.95Å; A143-L145 VanDerWaalsContact O-N 3.17Å
144	D	92.8	Very high	95.1	Very high	153 Å²	153	66.6 Å²	66.6	82%	0.818	39%	0.392	S	S	*	.			trans	-77.4	96.8	167.6	-173	15.3	0	0	0	108.9
145	L	91.6	Very high	95.1	Very high	62 Å²	62	68.8 Å²	68.8	33%	0.325	40%	0.403	S	S	.	.			trans	-126.7	100.4	-178.2	-64.8	173.3	0	0	0	107	I140 A143 T148	I140-L145 HydrophobicContact CD1-CD1 4.21Å; I140-L145 HydrophobicContact CG2-CD1 4.44Å; A143-L145 HydrophobicContact CB-CD1 3.92Å; A143-L145 HydrophobicContact CB-CD2 4.43Å; A143-L145 HydrophobicContact CB-CG 3.77Å; A143-L145 PolarHBondContact O-N 2.95Å; A143-L145 VanDerWaalsContact O-N 3.17Å; L145-T148 HydrophobicContact CB-CG2 4.15Å; L145-T148 WeakPolarHBondContact CB-OG1 3.18Å; L145-T148 PolarHBondContact O-OG1 3.25Å
146	P	88.6	Confident	95.1	Very high	99 Å²	99	70 Å²	70	64%	0.643	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	145	-179.9	25.1	-32.4	0	0	0	110.4	T148	P146-T148 VanDerWaalsContact C-N 3.27Å; P146-T148 PolarHBondContact O-N 3.21Å
147	N	88.3	Confident	95.1	Very high	170 Å²	170	70.3 Å²	70.3	91%	0.909	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	17	178.1	-51.2	-46	0	0	0	116.4
148	T	90.6	Very high	95	Very high	52 Å²	52	69.8 Å²	69.8	32%	0.319	40%	0.402	S	S	.	.	S	Bend	trans	-113.3	21.7	-179.7	63.8	0	0	0	0	114.3	R115 L145 P146	R115-T148 WeakPolarHBondContact CD-O 3.41Å; R115-T148 VanDerWaalsContact CG-O 3.27Å; R115-T148 WeakPolarHBondContact CG-O 3.37Å; R115-T148 PolarHBondContact NE-OG1 3.43Å; R115-T148 VanDerWaalsContact NE-OG1 3.13Å; L145-T148 HydrophobicContact CB-CG2 4.15Å; L145-T148 WeakPolarHBondContact CB-OG1 3.18Å; L145-T148 PolarHBondContact O-OG1 3.25Å; P146-T148 VanDerWaalsContact C-N 3.27Å; P146-T148 PolarHBondContact O-N 3.21Å
149	G	92.8	Very high	95	Very high	36 Å²	36	68.5 Å²	68.5	37%	0.371	39%	0.391	S	S	.	.			trans	94.4	-157.7	-177.7	0	0	0	0	0	113.1	R115	R115-G149 WeakPolarHBondContact O-CA 3.37Å
150	R	94.6	Very high	95.1	Very high	130 Å²	130	66.4 Å²	66.4	49%	0.491	38%	0.383	S	S	.	.			trans	-108.6	136.5	-175.4	-69.9	-176.9	-176.9	158.2	2.4	111.7	E96 R115 K118	E96-R150 IonicContact OE1-NH1 3.81Å; E96-R150 IonicContact OE2-CZ 3.87Å; E96-R150 IonicContact OE2-NH1 2.85Å; E96-R150 PolarHBondContact OE2-NH1 3.11Å; R115-R150 WeakPolarHBondContact CG-O 3.27Å; R115-R150 PolarHBondContact O-N 3.01Å; R115-R150 VanDerWaalsContact O-N 3.08Å; K118-R150 HydrophobicContact CB-CB 4.47Å; K118-R150 HydrophobicContact CG-CB 4.36Å; K118-R150 HydrophobicContact CG-CG 4.16Å
151	P	96.6	Very high	95.1	Very high	79 Å²	79	73.7 Å²	73.7	51%	0.513	42%	0.417	S	S	.	.			trans	-53.8	152.9	169	-22.1	31.2	0	0	0	112.2	A141	A141-P151 WeakPolarHBondContact O-CA 3.33Å; A141-P151 WeakPolarHBondContact O-CB 3.44Å
152	F	97.4	Very high	95.3	Very high	13 Å²	13	77.4 Å²	77.4	6%	0.057	43%	0.434	C	S	.	.			trans	-135.8	157.9	-179.6	61.9	-98.2	0	0	0	112	A111 L114 R115 I119 V122 A141 C154	A111-F152 HydrophobicContact CB-CZ 4.22Å; A111-F152 WeakPolarHBondContact O-CE1 3.08Å; L114-F152 HydrophobicContact CB-CE1 4.15Å; L114-F152 HydrophobicContact CB-CZ 4.44Å; R115-F152 HydrophobicContact CB-CD1 4.4Å; R115-F152 HydrophobicContact CB-CE1 4.25Å; I119-F152 WeakPolarHBondContact O-CB 3.49Å; V122-F152 HydrophobicContact CB-CD2 4.11Å; V122-F152 HydrophobicContact CB-CE2 4.02Å; V122-F152 HydrophobicContact CG2-CD2 3.59Å; V122-F152 HydrophobicContact CG2-CE2 3.54Å; V122-F152 HydrophobicContact CG2-CG 4.45Å; V122-F152 HydrophobicContact CG2-CZ 4.37Å; A141-F152 HydrophobicContact CB-CD1 4.48Å; A141-F152 HydrophobicContact CB-CD2 3.94Å; A141-F152 HydrophobicContact CB-CE1 4.05Å; A141-F152 HydrophobicContact CB-CE2 3.45Å; A141-F152 VanDerWaalsContact CB-CE2 3.45Å; A141-F152 HydrophobicContact CB-CG 4.42Å; A141-F152 HydrophobicContact CB-CZ 3.52Å; A141-F152 PolarHBondContact O-N 2.96Å; A141-F152 VanDerWaalsContact O-N 3.07Å; F152-C154 VanDerWaalsContact CE2-SG 3.51Å
153	Q	98	Very high	95.4	Very high	104 Å²	104	73.8 Å²	73.8	49%	0.486	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	147.8	178.9	-64.8	-176.2	0.5	0	0	110.9	P120 L121 V122	P120-Q153 PolarHBondContact O-N 3.19Å; L121-Q153 HydrophobicContact CD1-CB 3.78Å; V122-Q153 PolarHBondContact N-O 3.19Å
154	C	98.2	Very high	95.6	Very high	42 Å²	42	74.6 Å²	74.6	28%	0.284	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.2	175.9	-67.9	0	0	0	0	111.2	V122 Y124 F152	V122-C154 CarbonylContact O-C 3.51Å; V122-C154 VanDerWaalsContact O-CA 3.24Å; V122-C154 WeakPolarHBondContact O-CA 3.44Å; Y124-C154 HydrophobicContact CE1-CB 3.97Å; F152-C154 VanDerWaalsContact CE2-SG 3.51Å
155	I	98.1	Very high	95.8	Very high	57 Å²	57	71.4 Å²	71.4	29%	0.292	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	104.2	170.4	-57.8	173.8	0	0	0	108.2	V17 L121 V122 V123 Y124 Y158	V17-I155 HydrophobicContact CG2-CD1 4.27Å; L121-I155 HydrophobicContact CD1-CD1 3.83Å; L121-I155 HydrophobicContact CD1-CG1 3.92Å; L121-I155 HydrophobicContact CD2-CD1 4.27Å; V122-I155 PolarHBondContact O-N 3.49Å; V123-I155 CarbonylContact C-O 3.56Å; V123-I155 WeakPolarHBondContact CA-O 3.36Å; V123-I155 HydrophobicContact CG1-CB 4.34Å; V123-I155 WeakPolarHBondContact CG1-O 3.47Å; V123-I155 HydrophobicContact CG2-CB 4.28Å; V123-I155 HydrophobicContact CG2-CD1 4.4Å; Y124-I155 PolarHBondContact N-O 3.39Å; I155-Y158 HydrophobicContact CG2-CD2 4.12Å; I155-Y158 HydrophobicContact CG2-CE2 3.53Å
156	P	97.9	Very high	96.1	Very high	70 Å²	70	69.5 Å²	69.5	46%	0.455	38%	0.38	S	S	.	.			trans	-84.8	164.9	179.6	33.4	-35.1	0	0	0	113	Y124	Y124-P156 HydrophobicContact CD2-CB 4.23Å; Y124-P156 HydrophobicContact CE1-CB 4.21Å; Y124-P156 HydrophobicContact CE2-CB 3.5Å; Y124-P156 VanDerWaalsContact CE2-CB 3.5Å; Y124-P156 CarbonylContact O-C 3.59Å; Y124-P156 VanDerWaalsContact O-C 3.31Å; Y124-P156 WeakPolarHBondContact O-CA 3.39Å
157	G	97.2	Very high	96.4	Very high	45 Å²	45	66.2 Å²	66.2	46%	0.464	36%	0.357	S	S	.	.			trans	103.3	-7.1	157.5	0	0	0	0	0	116.3	Y124 G125 R159 A160	Y124-G157 PolarHBondContact O-N 3.35Å; G125-G157 WeakPolarHBondContact O-CA 3.18Å; G125-G157 PolarHBondContact O-N 2.82Å; G157-R159 PolarHBondContact O-N 3.45Å; G157-A160 WeakPolarHBondContact O-CB 3.36Å; G157-A160 PolarHBondContact O-N 3.46Å
158	Y	97.7	Very high	96.8	Very high	59 Å²	59	63 Å²	63	23%	0.231	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	117.8	-175.8	-79.9	-93.9	0	0	0	112.1	T22 V123 Y124 G125 I155 A160	T22-Y158 HydrophobicContact CG2-CD1 3.43Å; T22-Y158 VanDerWaalsContact CG2-CD1 3.43Å; T22-Y158 HydrophobicContact CG2-CD2 3.83Å; T22-Y158 HydrophobicContact CG2-CE1 3.32Å; T22-Y158 HydrophobicContact CG2-CE2 3.77Å; T22-Y158 HydrophobicContact CG2-CG 3.65Å; T22-Y158 VanDerWaalsContact CG2-CZ 3.49Å; V123-Y158 HydrophobicContact CG1-CD2 3.63Å; V123-Y158 HydrophobicContact CG1-CE2 4.21Å; V123-Y158 HydrophobicContact CG1-CG 4.13Å; Y124-Y158 PolarHBondContact O-N 3.3Å; G125-Y158 WeakPolarHBondContact CA-O 3.35Å; I155-Y158 HydrophobicContact CG2-CD2 4.12Å; I155-Y158 HydrophobicContact CG2-CE2 3.53Å; Y158-A160 PolarHBondContact O-N 3.08Å; Y158-A160 VanDerWaalsContact O-N 3.17Å
159	R	97.4	Very high	96.9	Very high	61 Å²	61	63 Å²	63	23%	0.23	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	31.2	-174.2	-51.8	-172.8	71.3	-162.9	12.4	113.3	E23 M26 M30 G157 E161 E162 A163	E23-R159 WeakPolarHBondContact OE1-CD 3.48Å; E23-R159 WeakPolarHBondContact OE1-CG 3.29Å; M26-R159 HydrophobicContact CG-CB 4.28Å; M26-R159 HydrophobicContact CG-CG 4.12Å; M30-R159 HydrophobicContact CE-CB 4.31Å; G157-R159 PolarHBondContact O-N 3.45Å; R159-E161 PolarHBondContact O-N 3.02Å; R159-E162 VanDerWaalsContact CZ-CD 3.48Å; R159-E162 IonicContact CZ-OE1 2.79Å; R159-E162 IonicContact CZ-OE2 2.97Å; R159-E162 IonicContact NE-OE2 3.02Å; R159-E162 PolarHBondContact NE-OE2 2.87Å; R159-E162 IonicContact NH1-OE1 3.96Å; R159-E162 IonicContact NH1-OE2 3.17Å; R159-E162 IonicContact NH2-OE1 3.72Å; R159-E162 PolarHBondContact NH2-OE1 3.02Å; R159-E162 IonicContact NH2-OE2 2.58Å; R159-E162 PolarHBondContact NH2-OE2 3.29Å; R159-E162 PolarHBondContact O-N 2.99Å; R159-A163 PolarHBondContact O-N 3Å; R159-A163 VanDerWaalsContact O-N 3.08Å
160	A	97.9	Very high	97	Very high	25 Å²	25	63 Å²	63	21%	0.207	33%	0.325	C	S	.	.	H	α-helix	trans	-59.2	-41.4	-174.4	0	0	0	0	0	113.4	C126 G157 Y158 E162 A163 V164	C126-A160 HydrophobicContact CB-CB 4.13Å; G157-A160 WeakPolarHBondContact O-CB 3.36Å; G157-A160 PolarHBondContact O-N 3.46Å; Y158-A160 PolarHBondContact O-N 3.08Å; Y158-A160 VanDerWaalsContact O-N 3.17Å; A160-E162 VanDerWaalsContact C-N 3.3Å; A160-E162 PolarHBondContact O-N 2.79Å; A160-A163 PolarHBondContact O-N 3.25Å; A160-V164 WeakPolarHBondContact O-CG2 3.5Å; A160-V164 PolarHBondContact O-N 2.58Å
161	E	98.2	Very high	96.7	Very high	178 Å²	178	63.6 Å²	63.6	83%	0.832	33%	0.328	S	S	*	.	H	α-helix	trans	-60.4	-41.9	179.6	-64.4	-174.5	173.7	0	0	111.9	R159 V164 E165	R159-E161 PolarHBondContact O-N 3.02Å; E161-V164 PolarHBondContact O-N 3.25Å; E161-E165 PolarHBondContact O-N 2.99Å
162	E	98.1	Very high	96.3	Very high	80 Å²	80	67 Å²	67	37%	0.374	34%	0.335	S	S	.	.	H	α-helix	trans	-70.3	-40.1	179.5	-170.4	-176.3	154	0	0	111.8	M30 R159 A160 V164 E165 M166	M30-E162 HydrophobicContact CE-CB 3.45Å; M30-E162 VanDerWaalsContact CE-CB 3.45Å; M30-E162 HydrophobicContact CE-CG 3.22Å; M30-E162 VanDerWaalsContact CE-OE1 3.29Å; M30-E162 WeakPolarHBondContact CE-OE1 3.25Å; R159-E162 VanDerWaalsContact CZ-CD 3.48Å; R159-E162 IonicContact CZ-OE1 2.79Å; R159-E162 IonicContact CZ-OE2 2.97Å; R159-E162 IonicContact NE-OE2 3.02Å; R159-E162 PolarHBondContact NE-OE2 2.87Å; R159-E162 IonicContact NH1-OE1 3.96Å; R159-E162 IonicContact NH1-OE2 3.17Å; R159-E162 IonicContact NH2-OE1 3.72Å; R159-E162 PolarHBondContact NH2-OE1 3.02Å; R159-E162 IonicContact NH2-OE2 2.58Å; R159-E162 PolarHBondContact NH2-OE2 3.29Å; R159-E162 PolarHBondContact O-N 2.99Å; A160-E162 VanDerWaalsContact C-N 3.3Å; A160-E162 PolarHBondContact O-N 2.79Å; E162-V164 VanDerWaalsContact C-N 3.31Å; E162-V164 PolarHBondContact O-N 2.76Å; E162-E165 PolarHBondContact O-N 3.15Å; E162-M166 PolarHBondContact O-N 3.35Å
163	A	98	Very high	95.7	Very high	1 Å²	1	70.7 Å²	70.7	1%	0.008	35%	0.352	C	S	.	.	H	α-helix	trans	-61.9	-40.9	174.4	0	0	0	0	0	111.4	M30 T103 C126 R159 A160 M166 L167	M30-A163 HydrophobicContact CE-CB 4.42Å; M30-A163 HydrophobicContact SD-CB 4.2Å; T103-A163 WeakPolarHBondContact O-CB 3.48Å; C126-A163 HydrophobicContact CB-CB 4.17Å; R159-A163 PolarHBondContact O-N 3Å; R159-A163 VanDerWaalsContact O-N 3.08Å; A160-A163 PolarHBondContact O-N 3.25Å; A163-M166 PolarHBondContact O-N 3.27Å; A163-L167 WeakPolarHBondContact O-CG 3.4Å; A163-L167 PolarHBondContact O-N 3.09Å; A163-L167 VanDerWaalsContact O-N 3.1Å
164	V	98	Very high	94.4	Very high	51 Å²	51	74.2 Å²	74.2	31%	0.309	37%	0.369	S	S	.	.	H	α-helix	trans	-62.3	-43.1	173.2	169.5	0	0	0	0	111.4	C126 A160 E161 E162 M166 L167 K168	C126-V164 HydrophobicContact CB-CG2 3.48Å; C126-V164 VanDerWaalsContact CB-CG2 3.48Å; A160-V164 WeakPolarHBondContact O-CG2 3.5Å; A160-V164 PolarHBondContact O-N 2.58Å; E161-V164 PolarHBondContact O-N 3.25Å; E162-V164 VanDerWaalsContact C-N 3.31Å; E162-V164 PolarHBondContact O-N 2.76Å; V164-M166 VanDerWaalsContact C-N 3.35Å; V164-M166 PolarHBondContact O-N 3.43Å; V164-L167 PolarHBondContact O-N 3.1Å; V164-K168 HydrophobicContact CG1-CD 4Å; V164-K168 VanDerWaalsContact CG1-CE 3.45Å; V164-K168 HydrophobicContact CG1-CG 4.36Å; V164-K168 WeakPolarHBondContact O-CG 3.41Å; V164-K168 PolarHBondContact O-N 3.42Å
165	E	97.5	Very high	93.1	Very high	86 Å²	86	77 Å²	77	40%	0.402	38%	0.38	S	S	.	.	H	α-helix	trans	-66.7	-36.7	-179.3	-168	55.5	-142.5	0	0	112.3	E161 E162 K168 T169 K172	E161-E165 PolarHBondContact O-N 2.99Å; E162-E165 PolarHBondContact O-N 3.15Å; E165-K168 PolarHBondContact O-N 3.41Å; E165-K168 IonicContact OE2-NZ 3.99Å; E165-T169 WeakPolarHBondContact O-CB 3.4Å; E165-T169 PolarHBondContact O-N 3.13Å; E165-T169 PolarHBondContact O-OG1 3.33Å; E165-K172 IonicContact OE1-NZ 3.93Å
166	M	96.6	Very high	91.9	Very high	22 Å²	22	79.2 Å²	79.2	11%	0.108	40%	0.399	C	S	.	.	H	α-helix	trans	-62.3	-46.7	171.7	-77.6	-167.4	-72.1	0	0	111.9	M30 A33 K34 P43 E162 A163 V164 K168 T169 F170	M30-M166 HydrophobicContact CE-CE 3.15Å; M30-M166 HydrophobicContact SD-CE 3.42Å; M30-M166 WeakPolarHBondContact SD-CE 3.42Å; A33-M166 HydrophobicContact CB-CE 3.71Å; A33-M166 HydrophobicContact CB-SD 4Å; K34-M166 HydrophobicContact CB-SD 4.49Å; P43-M166 HydrophobicContact CB-CB 4Å; P43-M166 HydrophobicContact CG-CB 3.94Å; E162-M166 PolarHBondContact O-N 3.35Å; A163-M166 PolarHBondContact O-N 3.27Å; V164-M166 VanDerWaalsContact C-N 3.35Å; V164-M166 PolarHBondContact O-N 3.43Å; M166-K168 VanDerWaalsContact C-N 3.34Å; M166-K168 PolarHBondContact O-N 2.96Å; M166-T169 WeakPolarHBondContact O-CB 3.19Å; M166-T169 PolarHBondContact O-N 3.02Å; M166-T169 VanDerWaalsContact O-N 3.14Å; M166-F170 PolarHBondContact O-N 3.48Å
167	L	96.6	Very high	90.6	Very high	30 Å²	30	82.6 Å²	82.6	16%	0.157	41%	0.413	C	S	.	.	H	α-helix	trans	-59.1	-44.6	175.9	-72.9	170.5	0	0	0	111.7	V42 P43 V104 A163 V164 T169 F170 Y171	V42-L167 HydrophobicContact CG1-CD2 3.98Å; P43-L167 HydrophobicContact CG-CD2 4.1Å; P43-L167 HydrophobicContact CG-CG 4.49Å; V104-L167 HydrophobicContact CG1-CD1 4.38Å; V104-L167 HydrophobicContact CG2-CD1 3.87Å; V104-L167 HydrophobicContact CG2-CD2 4.41Å; V104-L167 HydrophobicContact CG2-CG 4.32Å; A163-L167 WeakPolarHBondContact O-CG 3.4Å; A163-L167 PolarHBondContact O-N 3.09Å; A163-L167 VanDerWaalsContact O-N 3.1Å; V164-L167 PolarHBondContact O-N 3.1Å; L167-T169 VanDerWaalsContact C-N 3.3Å; L167-T169 PolarHBondContact O-N 3.39Å; L167-F170 PolarHBondContact O-N 2.99Å; L167-Y171 HydrophobicContact CB-CE2 4.42Å; L167-Y171 HydrophobicContact CD2-CE2 4.26Å; L167-Y171 WeakPolarHBondContact O-CD2 3.25Å; L167-Y171 PolarHBondContact O-N 3.43Å
168	K	94.8	Very high	89.5	Confident	102 Å²	102	82.9 Å²	82.9	44%	0.443	41%	0.411	S	S	.	.	H	α-helix	trans	-59.6	-42.5	174.9	-74.9	171.1	-179.8	167.3	0	111.4	V164 E165 M166 F170 Y171 K172	V164-K168 HydrophobicContact CG1-CD 4Å; V164-K168 VanDerWaalsContact CG1-CE 3.45Å; V164-K168 HydrophobicContact CG1-CG 4.36Å; V164-K168 WeakPolarHBondContact O-CG 3.41Å; V164-K168 PolarHBondContact O-N 3.42Å; E165-K168 PolarHBondContact O-N 3.41Å; E165-K168 IonicContact OE2-NZ 3.99Å; M166-K168 VanDerWaalsContact C-N 3.34Å; M166-K168 PolarHBondContact O-N 2.96Å; K168-F170 VanDerWaalsContact C-N 3.35Å; K168-Y171 PolarHBondContact O-N 2.87Å; K168-K172 WeakPolarHBondContact O-CB 3.24Å; K168-K172 WeakPolarHBondContact O-CG 3.28Å; K168-K172 PolarHBondContact O-N 3.14Å
169	T	93.9	Very high	88.5	Confident	52 Å²	52	85.8 Å²	85.8	32%	0.319	44%	0.437	S	S	.	.	H	α-helix	trans	-60.6	-45.5	177.7	-62.3	0	0	0	0	110.8	L37 E165 M166 L167 K172 Q173	L37-T169 HydrophobicContact CD2-CG2 4.02Å; E165-T169 WeakPolarHBondContact O-CB 3.4Å; E165-T169 PolarHBondContact O-N 3.13Å; E165-T169 PolarHBondContact O-OG1 3.33Å; M166-T169 WeakPolarHBondContact O-CB 3.19Å; M166-T169 PolarHBondContact O-N 3.02Å; M166-T169 VanDerWaalsContact O-N 3.14Å; L167-T169 VanDerWaalsContact C-N 3.3Å; L167-T169 PolarHBondContact O-N 3.39Å; T169-K172 PolarHBondContact O-N 2.85Å; T169-Q173 WeakPolarHBondContact O-CG 3.34Å; T169-Q173 PolarHBondContact O-N 3Å
170	F	93.6	Very high	87.4	Confident	35 Å²	35	92.5 Å²	92.5	15%	0.154	47%	0.468	C	S	.	.	H	α-helix	trans	-60.4	-50.4	175.9	179.7	-100.7	0	0	0	112.4	L37 E41 V42 P43 M166 L167 K168 K172 Q173	L37-F170 HydrophobicContact CD1-CB 3.79Å; L37-F170 HydrophobicContact CD1-CD2 4.01Å; L37-F170 HydrophobicContact CD1-CG 4.41Å; E41-F170 VanDerWaalsContact O-CD2 3.28Å; E41-F170 WeakPolarHBondContact O-CD2 3.33Å; E41-F170 VanDerWaalsContact O-CE2 3.24Å; E41-F170 WeakPolarHBondContact O-CE2 3.23Å; V42-F170 HydrophobicContact CB-CE1 4.4Å; V42-F170 HydrophobicContact CG2-CD1 4.49Å; V42-F170 HydrophobicContact CG2-CE1 3.75Å; V42-F170 HydrophobicContact CG2-CZ 3.88Å; P43-F170 HydrophobicContact CG-CB 3.97Å; M166-F170 PolarHBondContact O-N 3.48Å; L167-F170 PolarHBondContact O-N 2.99Å; K168-F170 VanDerWaalsContact C-N 3.35Å; F170-K172 VanDerWaalsContact C-N 3.3Å; F170-K172 PolarHBondContact O-N 3.27Å; F170-Q173 WeakPolarHBondContact O-CB 3.38Å; F170-Q173 PolarHBondContact O-N 2.93Å; F170-Q173 VanDerWaalsContact O-N 3.15Å
171	Y	89.1	Confident	86.1	Confident	144 Å²	144	95.6 Å²	95.6	57%	0.565	49%	0.488	S	S	*	.	H	α-helix	trans	-74.1	-16.5	-176.7	-68.5	-61.1	0	0	0	114.7	L167 K168 Q173	L167-Y171 HydrophobicContact CB-CE2 4.42Å; L167-Y171 HydrophobicContact CD2-CE2 4.26Å; L167-Y171 WeakPolarHBondContact O-CD2 3.25Å; L167-Y171 PolarHBondContact O-N 3.43Å; K168-Y171 PolarHBondContact O-N 2.87Å; Y171-Q173 VanDerWaalsContact C-N 3.33Å
172	K	89.4	Confident	84.5	Confident	149 Å²	149	97 Å²	97	65%	0.648	49%	0.492	S	S	*	.	H	α-helix	trans	-76	-21.7	170.4	-76.8	169.6	-175.2	169.9	0	112.5	E165 K168 T169 F170	E165-K172 IonicContact OE1-NZ 3.93Å; K168-K172 WeakPolarHBondContact O-CB 3.24Å; K168-K172 WeakPolarHBondContact O-CG 3.28Å; K168-K172 PolarHBondContact O-N 3.14Å; T169-K172 PolarHBondContact O-N 2.85Å; F170-K172 VanDerWaalsContact C-N 3.3Å; F170-K172 PolarHBondContact O-N 3.27Å
173	Q	83.1	Confident	83.1	Confident	91 Å²	91	98.8 Å²	98.8	43%	0.425	51%	0.508	S	S	.	.	S	Bend	trans	-70.3	135.5	178	-66.2	170.2	21.9	0	0	109.7	T169 F170 Y171	T169-Q173 WeakPolarHBondContact O-CG 3.34Å; T169-Q173 PolarHBondContact O-N 3Å; F170-Q173 WeakPolarHBondContact O-CB 3.38Å; F170-Q173 PolarHBondContact O-N 2.93Å; F170-Q173 VanDerWaalsContact O-N 3.15Å; Y171-Q173 VanDerWaalsContact C-N 3.33Å
174	E	71.7	Confident	80.9	Confident	178 Å²	178	109.8 Å²	109.8	83%	0.832	55%	0.549	S	S	*	.			trans	-68.9	133.6	170.5	-70	-169.8	156.5	0	0	108.8	P176	E174-P176 WeakPolarHBondContact O-CD 3.47Å; E174-P176 VanDerWaalsContact O-N 3.14Å
175	N	71.4	Confident	78.9	Confident	100 Å²	100	116.8 Å²	116.8	54%	0.535	58%	0.575	S	S	.	*			trans	-66.5	112.6	173.4	175.9	-0.8	0	0	0	108.5	N177 A178	N175-N177 PolarHBondContact O-N 3.33Å; N175-N177 VanDerWaalsContact O-N 3.15Å; N175-N177 WeakPolarHBondContact OD1-CA 3.17Å; N175-N177 WeakPolarHBondContact OD1-CB 3.41Å; N175-N177 PolarHBondContact OD1-N 2.93Å; N175-A178 HydrophobicContact CB-CB 3.94Å; N175-A178 VanDerWaalsContact O-CB 3.25Å; N175-A178 WeakPolarHBondContact O-CB 3.4Å; N175-A178 PolarHBondContact O-N 3.47Å; N175-A178 PolarHBondContact OD1-N 2.93Å
176	P	71.9	Confident	76.7	Confident	104 Å²	104	122.3 Å²	122.3	68%	0.675	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-20.6	-177.6	27.8	-35	0	0	0	112.4	E174	E174-P176 WeakPolarHBondContact O-CD 3.47Å; E174-P176 VanDerWaalsContact O-N 3.14Å
177	N	70.4	Confident	74.5	Confident	142 Å²	142	129.8 Å²	129.8	76%	0.759	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-6.4	176.3	-56.7	-45.9	0	0	0	112.6	N175	N175-N177 PolarHBondContact O-N 3.33Å; N175-N177 VanDerWaalsContact O-N 3.15Å; N175-N177 WeakPolarHBondContact OD1-CA 3.17Å; N175-N177 WeakPolarHBondContact OD1-CB 3.41Å; N175-N177 PolarHBondContact OD1-N 2.93Å
178	A	73.8	Confident	71.9	Confident	51 Å²	51	134.1 Å²	134.1	42%	0.421	66%	0.664	S	S	.	*	S	Bend	trans	-65.1	131.3	175.8	0	0	0	0	0	109.1	N175 K180	N175-A178 HydrophobicContact CB-CB 3.94Å; N175-A178 VanDerWaalsContact O-CB 3.25Å; N175-A178 WeakPolarHBondContact O-CB 3.4Å; N175-A178 PolarHBondContact O-N 3.47Å; N175-A178 PolarHBondContact OD1-N 2.93Å; A178-K180 PolarHBondContact O-N 3.15Å
179	P	77.5	Confident	69.7	Low	120 Å²	120	137.5 Å²	137.5	78%	0.779	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-57.1	137.2	173.8	23	-31	0	0	0	108.7	S181	P179-S181 PolarHBondContact O-N 3.5Å
180	K	74.6	Confident	67.4	Low	201 Å²	201	145 Å²	145	87%	0.874	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-48.8	120.1	177.1	-70.8	-175.6	-179.7	179.9	0	108.5	A178 K182	A178-K180 PolarHBondContact O-N 3.15Å; K180-K182 PolarHBondContact O-N 3.35Å
181	S	70.3	Confident	65.4	Low	90 Å²	90	152.4 Å²	152.4	63%	0.629	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-46.6	117.7	177.1	165.1	0	0	0	0	109.5	P179 V183	P179-S181 PolarHBondContact O-N 3.5Å; S181-V183 PolarHBondContact O-N 3.28Å; S181-V183 WeakPolarHBondContact OG-CB 3.4Å; S181-V183 PolarHBondContact OG-N 3.05Å; S181-V183 VanDerWaalsContact OG-N 3.17Å; S181-V183 PolarHBondContact OG-O 3.02Å
182	K	64.1	Low	64.2	Low	208 Å²	208	152.8 Å²	152.8	90%	0.904	78%	0.776	S	S	*	*			trans	-73.8	-4.9	171	-69.4	-173.2	179.1	-179.9	0	111.9	K180 R184	K180-K182 PolarHBondContact O-N 3.35Å; K182-R184 PolarHBondContact O-N 3.17Å
183	V	68.1	Low	62.9	Low	118 Å²	118	153 Å²	153	72%	0.715	78%	0.782	S	S	*	*	S	Bend	trans	-76.7	111.6	178	-173.4	0	0	0	0	107.9	S181 K185	S181-V183 PolarHBondContact O-N 3.28Å; S181-V183 WeakPolarHBondContact OG-CB 3.4Å; S181-V183 PolarHBondContact OG-N 3.05Å; S181-V183 VanDerWaalsContact OG-N 3.17Å; S181-V183 PolarHBondContact OG-O 3.02Å; V183-K185 PolarHBondContact O-N 3.45Å; V183-K185 VanDerWaalsContact O-N 3.15Å
184	R	53	Low	61.7	Low	232 Å²	232	156.4 Å²	156.4	88%	0.875	80%	0.802	S	S	*	*			trans	-53.6	120	171.4	-78.1	-179.3	171.7	179.8	-3.2	108.6	K182 K186	K182-R184 PolarHBondContact O-N 3.17Å; R184-K186 PolarHBondContact O-N 3.15Å
185	K	56.5	Low	61.2	Low	197 Å²	197	155.2 Å²	155.2	86%	0.857	80%	0.8	S	S	*	*			trans	-56.3	112.7	166.4	-76.8	-178.5	176.7	178.6	0	106.6	V183 E187	V183-K185 PolarHBondContact O-N 3.45Å; V183-K185 VanDerWaalsContact O-N 3.15Å; K185-E187 PolarHBondContact O-N 3.07Å; K185-E187 VanDerWaalsContact O-N 3.07Å
186	K	51.1	Low	60.5	Low	203 Å²	203	158.6 Å²	158.6	88%	0.883	82%	0.817	S	S	*	*			trans	-63.5	109.9	166.3	-87.5	-176.7	174.4	-179.9	0	105.8	R184 C188	R184-K186 PolarHBondContact O-N 3.15Å; K186-C188 PolarHBondContact O-N 2.97Å
187	E	48.8	Very low	59.8	Low	179 Å²	179	162.3 Å²	162.3	84%	0.836	83%	0.826	S	S	*	*			trans	-58	108.5	164.8	-72	-179.3	147.1	0	0	106.7	K185 Q189	K185-E187 PolarHBondContact O-N 3.07Å; K185-E187 VanDerWaalsContact O-N 3.07Å; E187-Q189 VanDerWaalsContact C-N 3.32Å; E187-Q189 PolarHBondContact O-N 2.98Å
188	C	43.1	Very low	59	Low	121 Å²	121	163.7 Å²	163.7	82%	0.818	83%	0.831	S	S	*	*			trans	-69.1	98.2	170.9	-163.5	0	0	0	0	105.9	K186 K190	K186-C188 PolarHBondContact O-N 2.97Å; C188-K190 PolarHBondContact O-N 3.18Å
189	Q	47.5	Very low	57.9	Low	173 Å²	173	172.4 Å²	172.4	81%	0.808	86%	0.863	S	S	*	*			trans	-59.6	108	170.8	-74.3	-179.8	-6.3	0	0	107.3	E187 S191	E187-Q189 VanDerWaalsContact C-N 3.32Å; E187-Q189 PolarHBondContact O-N 2.98Å; Q189-S191 PolarHBondContact O-N 3.01Å
190	K	45.7	Very low	56.2	Low	209 Å²	209	176.8 Å²	176.8	91%	0.909	87%	0.87	S	S	*	*			trans	-63	113.6	167	-73	-178.3	176.6	-178.4	0	107.1	C188	C188-K190 PolarHBondContact O-N 3.18Å
191	S	52.1	Low	54.6	Low	190 Å²	190	174.5 Å²	174.5	100%	1.329	87%	0.869	S	S	*	*			trans	-85.8	0	159	-61.3	0	0	0	0	109.5	Q189	Q189-S191 PolarHBondContact O-N 3.01Å

Retrieved 191 of 191 residues in 283.3 ms (Link to these results)

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