G4VPG3_SCHMA Loading...

palmitoyl-protein hydrolase AlphaSync

AlphaFold DB , UniProt , Accession G4VPG3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 238 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	35.9	Very low	52.1	Low	252 Å²	252	110.9 Å²	110.9	100%	1.241	66%	0.663	S	S	*	*				0	117.4	0	-67.5	-179.9	-161.6	0	0	107.2
2	G	43.4	Very low	52.7	Low	85 Å²	85	111.6 Å²	111.6	88%	0.876	66%	0.661	S	S	*	*			trans	145.6	72.9	177.8	0	0	0	0	0	113
3	S	50.2	Low	53.1	Low	114 Å²	114	113.5 Å²	113.5	80%	0.797	66%	0.662	S	S	*	*			trans	-172.7	80.2	156	-170.3	0	0	0	0	108.9
4	S	54.9	Low	54.1	Low	80 Å²	80	109.4 Å²	109.4	56%	0.559	65%	0.648	S	S	*	*	S	Bend	trans	-155.2	-2.7	161.8	93.3	0	0	0	0	114.4	I8	S4-I8 WeakPolarHBondContact O-CD1 3.3Å
5	I	55.8	Low	55.4	Low	144 Å²	144	108.9 Å²	108.9	74%	0.738	64%	0.641	S	S	*	*	H	α-helix	trans	-84.3	-37.4	-176.9	-61.5	175.3	0	0	0	111.5	C7 I8 S9	I5-C7 PolarHBondContact O-N 2.81Å; I5-I8 PolarHBondContact O-N 2.96Å; I5-S9 PolarHBondContact O-N 3.13Å; I5-S9 VanDerWaalsContact O-N 3.14Å; I5-S9 PolarHBondContact O-OG 3.4Å
6	S	56.5	Low	57.6	Low	68 Å²	68	110.9 Å²	110.9	48%	0.476	64%	0.639	S	S	.	*	H	α-helix	trans	-63.7	-44.7	-176.1	55.1	0	0	0	0	113.2	I8 S9 E10	S6-I8 PolarHBondContact O-N 3.38Å; S6-S9 PolarHBondContact O-N 2.74Å; S6-S9 PolarHBondContact O-OG 3.41Å; S6-E10 WeakPolarHBondContact O-CG 3.24Å; S6-E10 PolarHBondContact O-N 2.66Å
7	C	57.6	Low	59.9	Low	74 Å²	74	108.3 Å²	108.3	50%	0.5	62%	0.622	S	S	.	*	H	α-helix	trans	-67.2	-37.5	-176.8	-153.1	0	0	0	0	112.1	I5 I11	I5-C7 PolarHBondContact O-N 2.81Å; C7-I11 WeakPolarHBondContact O-CB 3.33Å; C7-I11 WeakPolarHBondContact O-CD1 3.4Å; C7-I11 VanDerWaalsContact O-CG1 3.24Å; C7-I11 WeakPolarHBondContact O-CG1 3.37Å; C7-I11 PolarHBondContact O-N 3.27Å; C7-I11 VanDerWaalsContact O-N 3.15Å
8	I	49.9	Very low	62	Low	117 Å²	117	103.6 Å²	103.6	60%	0.6	59%	0.594	S	S	*	*	H	α-helix	trans	-67	-43.9	175.8	-62.8	173.9	0	0	0	110.2	S4 I5 S6 E10 I11 D12	S4-I8 WeakPolarHBondContact O-CD1 3.3Å; I5-I8 PolarHBondContact O-N 2.96Å; S6-I8 PolarHBondContact O-N 3.38Å; I8-E10 PolarHBondContact O-N 2.75Å; I8-I11 PolarHBondContact O-N 3.25Å; I8-D12 WeakPolarHBondContact O-CB 3.37Å; I8-D12 PolarHBondContact O-N 2.79Å
9	S	62.6	Low	63.9	Low	55 Å²	55	102.9 Å²	102.9	39%	0.385	59%	0.594	S	S	.	*	H	α-helix	trans	-66.1	-37	179.7	57.1	0	0	0	0	113.3	I5 S6 M13	I5-S9 PolarHBondContact O-N 3.13Å; I5-S9 VanDerWaalsContact O-N 3.14Å; I5-S9 PolarHBondContact O-OG 3.4Å; S6-S9 PolarHBondContact O-N 2.74Å; S6-S9 PolarHBondContact O-OG 3.41Å; S9-M13 WeakPolarHBondContact O-CB 3.35Å; S9-M13 WeakPolarHBondContact O-CG 3.4Å; S9-M13 PolarHBondContact O-N 2.73Å
10	E	48.8	Very low	65.6	Low	133 Å²	133	99.4 Å²	99.4	62%	0.621	58%	0.578	S	S	*	*	H	α-helix	trans	-69.4	-42	177.9	-75.1	173.9	-166	0	0	111.7	S6 I8 M13 A14	S6-E10 WeakPolarHBondContact O-CG 3.24Å; S6-E10 PolarHBondContact O-N 2.66Å; I8-E10 PolarHBondContact O-N 2.75Å; E10-M13 PolarHBondContact O-N 2.69Å; E10-A14 VanDerWaalsContact O-CB 3.31Å; E10-A14 WeakPolarHBondContact O-CB 3.41Å; E10-A14 PolarHBondContact O-N 3.05Å
11	I	57.5	Low	67.1	Low	98 Å²	98	94.9 Å²	94.9	50%	0.503	55%	0.552	S	S	.	*	H	α-helix	trans	-65.4	-40.8	176.4	-67.8	168.5	0	0	0	111.2	C7 I8 A14 N15	C7-I11 WeakPolarHBondContact O-CB 3.33Å; C7-I11 WeakPolarHBondContact O-CD1 3.4Å; C7-I11 VanDerWaalsContact O-CG1 3.24Å; C7-I11 WeakPolarHBondContact O-CG1 3.37Å; C7-I11 PolarHBondContact O-N 3.27Å; C7-I11 VanDerWaalsContact O-N 3.15Å; I8-I11 PolarHBondContact O-N 3.25Å; I11-A14 PolarHBondContact O-N 3.05Å; I11-N15 PolarHBondContact O-N 2.91Å; I11-N15 PolarHBondContact O-ND2 2.93Å
12	D	59.4	Low	70.1	Confident	119 Å²	119	87.1 Å²	87.1	64%	0.636	52%	0.519	S	S	*	.	H	α-helix	trans	-69.5	-39.3	179.4	-161.4	26.3	0	0	0	111.4	I8 N15 K16	I8-D12 WeakPolarHBondContact O-CB 3.37Å; I8-D12 PolarHBondContact O-N 2.79Å; D12-N15 PolarHBondContact O-N 3.27Å; D12-K16 PolarHBondContact O-N 3.05Å
13	M	58.1	Low	72.7	Confident	136 Å²	136	84.7 Å²	84.7	67%	0.67	49%	0.487	S	S	*	.	H	α-helix	trans	-66.2	-40.5	173.5	-72.3	-68	176.3	0	0	112.5	S9 E10 N15 K16	S9-M13 WeakPolarHBondContact O-CB 3.35Å; S9-M13 WeakPolarHBondContact O-CG 3.4Å; S9-M13 PolarHBondContact O-N 2.73Å; E10-M13 PolarHBondContact O-N 2.69Å; M13-N15 PolarHBondContact O-N 3Å; M13-K16 WeakPolarHBondContact O-CB 3.35Å; M13-K16 PolarHBondContact O-N 2.89Å
14	A	66.5	Low	75	Confident	56 Å²	56	82.8 Å²	82.8	46%	0.463	48%	0.478	S	S	.	.	H	α-helix	trans	-62.5	-31.8	177.4	0	0	0	0	0	112.4	E10 I11 K107	E10-A14 VanDerWaalsContact O-CB 3.31Å; E10-A14 WeakPolarHBondContact O-CB 3.41Å; E10-A14 PolarHBondContact O-N 3.05Å; I11-A14 PolarHBondContact O-N 3.05Å; A14-K107 WeakPolarHBondContact O-CE 3.46Å; A14-K107 PolarHBondContact O-NZ 2.94Å
15	N	73.6	Confident	77	Confident	102 Å²	102	80.3 Å²	80.3	55%	0.545	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	1.7	-179.9	-68.3	-49.6	0	0	0	114	I11 D12 M13 L17	I11-N15 PolarHBondContact O-N 2.91Å; I11-N15 PolarHBondContact O-ND2 2.93Å; D12-N15 PolarHBondContact O-N 3.27Å; M13-N15 PolarHBondContact O-N 3Å; N15-L17 PolarHBondContact O-N 2.86Å
16	K	91.1	Very high	79	Confident	141 Å²	141	79.6 Å²	79.6	61%	0.613	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-65.5	122.2	177.7	-174.2	178.1	178.2	-177.5	0	109.6	D12 M13	D12-K16 PolarHBondContact O-N 3.05Å; M13-K16 WeakPolarHBondContact O-CB 3.35Å; M13-K16 PolarHBondContact O-N 2.89Å
17	L	96.5	Very high	80.9	Confident	67 Å²	67	79.1 Å²	79.1	35%	0.351	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-67.8	142.6	174.4	-62.8	177.9	0	0	0	110.8	N15 K107 F108 A111	N15-L17 PolarHBondContact O-N 2.86Å; L17-K107 HydrophobicContact CD2-CB 3.61Å; L17-F108 HydrophobicContact CB-CE1 4Å; L17-F108 HydrophobicContact CB-CZ 4.06Å; L17-F108 HydrophobicContact CD1-CD1 4.09Å; L17-F108 HydrophobicContact CD1-CE1 4.12Å; L17-F108 HydrophobicContact CD2-CD1 4.01Å; L17-F108 HydrophobicContact CD2-CD2 4.26Å; L17-F108 HydrophobicContact CD2-CE1 4.19Å; L17-F108 HydrophobicContact CD2-CE2 4.41Å; L17-F108 HydrophobicContact CD2-CG 4.06Å; L17-F108 HydrophobicContact CD2-CZ 4.39Å; L17-F108 HydrophobicContact CG-CD1 4.47Å; L17-F108 HydrophobicContact CG-CE1 4.34Å; L17-A111 HydrophobicContact CD1-CB 3.9Å; L17-A111 HydrophobicContact CD2-CB 4.47Å
18	L	97.4	Very high	82.8	Confident	23 Å²	23	83.7 Å²	83.7	12%	0.12	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-57.8	154	164.5	-65.4	174.4	0	0	0	110	W81 E104 F108	L18-W81 HydrophobicContact CD1-CZ3 4.09Å; L18-E104 HydrophobicContact CD1-CB 4.24Å; L18-E104 HydrophobicContact CD1-CG 4.17Å; L18-F108 HydrophobicContact CB-CE2 4.23Å; L18-F108 HydrophobicContact CB-CZ 4.09Å; L18-F108 VanDerWaalsContact O-CZ 3.31Å; L18-F108 WeakPolarHBondContact O-CZ 3.11Å
19	P	97.6	Very high	85	Confident	91 Å²	91	81.2 Å²	81.2	59%	0.591	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-54	145	166.8	-23.2	34.5	0	0	0	110.4	H64	P19-H64 PolarHBondContact O-CD2 2.82Å; P19-H64 VanDerWaalsContact O-CD2 3.31Å; P19-H64 PolarHBondContact O-N 3.31Å
20	A	98.4	Very high	86.7	Confident	32 Å²	32	79.4 Å²	79.4	26%	0.264	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	145.6	178.3	0	0	0	0	0	111	V22 I61 C62 P63 F108	A20-V22 HydrophobicContact CB-CG2 4.22Å; A20-I61 HydrophobicContact CB-CG2 3.89Å; A20-C62 WeakPolarHBondContact CA-O 3.39Å; A20-P63 HydrophobicContact CB-CB 4.42Å; A20-P63 HydrophobicContact CB-CG 4.5Å; A20-F108 HydrophobicContact CB-CE1 3.91Å; A20-F108 HydrophobicContact CB-CZ 4.24Å
21	A	98.4	Very high	89.1	Confident	6 Å²	6	73.1 Å²	73.1	5%	0.05	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	123.1	161.7	0	0	0	0	0	108.2	S47 C62 H64	A21-S47 WeakPolarHBondContact CB-OG 3.24Å; A21-C62 HydrophobicContact CB-CB 4.36Å; A21-C62 PolarHBondContact N-O 3.39Å; A21-C62 PolarHBondContact O-N 3.18Å; A21-H64 PolarHBondContact N-NE2 2.93Å
22	V	98.5	Very high	91	Very high	88 Å²	88	68.4 Å²	68.4	53%	0.533	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	125.2	-177.5	-178.6	0	0	0	0	109.5	A20 K59 I60 I61	A20-V22 HydrophobicContact CB-CG2 4.22Å; V22-K59 HydrophobicContact CG1-CD 4.21Å; V22-K59 HydrophobicContact CG1-CG 4.26Å; V22-I60 WeakPolarHBondContact CA-O 3.36Å; V22-I61 HydrophobicContact CG2-CG1 4.47Å; V22-I61 HydrophobicContact CG2-CG2 4.49Å
23	V	98.4	Very high	92.9	Very high	35 Å²	35	62.8 Å²	62.8	21%	0.212	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	116.1	172.2	-176.7	0	0	0	0	107.6	K51 K59 I60	V23-K51 HydrophobicContact CG1-CB 4.03Å; V23-K51 HydrophobicContact CG2-CB 4.45Å; V23-K59 WeakPolarHBondContact O-CG 3.44Å; V23-I60 HydrophobicContact CB-CB 4.15Å; V23-I60 HydrophobicContact CB-CD1 4.36Å; V23-I60 PolarHBondContact N-O 2.76Å; V23-I60 PolarHBondContact O-N 2.86Å
24	A	98	Very high	94.8	Very high	73 Å²	73	56.3 Å²	56.3	60%	0.603	31%	0.314	S	S	*	.			trans	-62.7	150.7	175.3	0	0	0	0	0	111
25	S	97.3	Very high	96.4	Very high	29 Å²	29	53.7 Å²	53.7	20%	0.203	29%	0.292	C	S	.	.			trans	-61.1	146.4	171.5	61.1	0	0	0	0	110.7	S27 H29 D56 F58	S25-S27 WeakPolarHBondContact CB-O 3.34Å; S25-S27 PolarHBondContact OG-O 3.47Å; S25-H29 WeakPolarHBondContact OG-CA 3.24Å; S25-H29 WeakPolarHBondContact OG-CB 3.24Å; S25-H29 PolarHBondContact OG-N 3.47Å; S25-D56 CarbonylContact C-O 3.5Å; S25-D56 WeakPolarHBondContact CB-O 3.23Å; S25-F58 VanDerWaalsContact CA-O 3.24Å; S25-F58 WeakPolarHBondContact CA-O 3.44Å; S25-F58 WeakPolarHBondContact CB-O 3.25Å
26	R	96.8	Very high	97.6	Very high	129 Å²	129	48.9 Å²	48.9	49%	0.487	27%	0.267	S	S	.	.	S	Bend	trans	-82	-21.8	177.8	-66.3	-177	-65.4	-83.2	4.1	112.6	K51 V54 D56	R26-K51 PolarHBondContact NH1-O 3.36Å; R26-V54 PolarHBondContact NH2-O 2.63Å; R26-D56 HydrophobicContact CB-CB 4.12Å; R26-D56 IonicContact CZ-OD1 2.74Å; R26-D56 PolarHBondContact N-O 2.59Å; R26-D56 IonicContact NE-OD1 3.74Å; R26-D56 PolarHBondContact NE-OD1 2.84Å; R26-D56 IonicContact NH2-OD1 3.56Å; R26-D56 PolarHBondContact NH2-OD1 2.99Å
27	S	96.6	Very high	97.9	Very high	57 Å²	57	42.1 Å²	42.1	40%	0.399	24%	0.237	S	C	.	.	S	Bend	trans	-118.8	-168.4	170.1	68.2	0	0	0	0	110.7	S25 H29 D56 Y57	S25-S27 WeakPolarHBondContact CB-O 3.34Å; S25-S27 PolarHBondContact OG-O 3.47Å; S27-H29 PolarHBondContact O-N 3.02Å; S27-H29 VanDerWaalsContact O-N 3.13Å; S27-D56 PolarHBondContact N-O 3.3Å; S27-D56 VanDerWaalsContact OG-C 3.25Å; S27-D56 PolarHBondContact OG-O 2.87Å; S27-Y57 VanDerWaalsContact OG-CA 3.3Å; S27-Y57 WeakPolarHBondContact OG-CA 3.47Å; S27-Y57 PolarHBondContact OG-N 3.11Å
28	K	96.7	Very high	98	Very high	171 Å²	171	39.1 Å²	39.1	74%	0.743	22%	0.222	S	C	*	.	S	Bend	trans	-51.3	121.9	172.3	-175.6	-176.9	176.9	-169.5	0	109.7	S30 Y57	K28-S30 PolarHBondContact O-N 3.13Å; K28-Y57 WeakPolarHBondContact O-CB 3.45Å
29	H	97.5	Very high	98.1	Very high	65 Å²	65	40.3 Å²	40.3	30%	0.301	23%	0.228	S	C	.	.			trans	-65.4	123.1	178.7	-179.6	-148.7	0	0	0	110	S25 S27 A31 T32 K59 E112 V117	S25-H29 WeakPolarHBondContact OG-CA 3.24Å; S25-H29 WeakPolarHBondContact OG-CB 3.24Å; S25-H29 PolarHBondContact OG-N 3.47Å; S27-H29 PolarHBondContact O-N 3.02Å; S27-H29 VanDerWaalsContact O-N 3.13Å; H29-A31 PolarHBondContact CD2-O 2.94Å; H29-A31 PolarHBondContact NE2-O 3.2Å; H29-T32 PolarHBondContact CE1-OG1 3.47Å; H29-T32 PolarHBondContact NE2-OG1 2.95Å; H29-K59 VanDerWaalsContact CE1-CE 3.48Å; H29-K59 WeakPolarHBondContact CE1-CE 3.42Å; H29-K59 WeakPolarHBondContact NE2-CB 3.42Å; H29-E112 IonicContact CE1-OE2 3.66Å; H29-V117 WeakPolarHBondContact CE1-CG2 3.34Å
30	S	97.3	Very high	98.1	Very high	17 Å²	17	37.9 Å²	37.9	12%	0.119	22%	0.22	C	C	.	.			trans	-138.9	-7.8	174.8	69.1	0	0	0	0	114.1	K28 Y57 N121	K28-S30 PolarHBondContact O-N 3.13Å; S30-Y57 PolarHBondContact N-O 2.83Å; S30-Y57 WeakPolarHBondContact OG-CD2 3.46Å; S30-N121 WeakPolarHBondContact O-CB 3.36Å; S30-N121 PolarHBondContact O-ND2 3.46Å
31	A	98.6	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	158.4	179.5	0	0	0	0	0	111.1	H29 Y57 F58 K59 N121 I235	H29-A31 PolarHBondContact CD2-O 2.94Å; H29-A31 PolarHBondContact NE2-O 3.2Å; A31-Y57 HydrophobicContact CB-CD2 4.12Å; A31-Y57 HydrophobicContact CB-CE2 4.35Å; A31-Y57 PolarHBondContact N-O 3.22Å; A31-F58 HydrophobicContact CB-CD1 3.76Å; A31-F58 HydrophobicContact CB-CD2 3.76Å; A31-F58 HydrophobicContact CB-CE1 3.69Å; A31-F58 HydrophobicContact CB-CE2 3.72Å; A31-F58 HydrophobicContact CB-CG 3.79Å; A31-F58 HydrophobicContact CB-CZ 3.68Å; A31-F58 CarbonylContact O-C 3.56Å; A31-F58 VanDerWaalsContact O-CA 3.24Å; A31-F58 WeakPolarHBondContact O-CA 3.34Å; A31-K59 PolarHBondContact O-N 2.83Å; A31-N121 CarbonylContact C-O 3.59Å; A31-N121 VanDerWaalsContact CA-O 3.24Å; A31-N121 WeakPolarHBondContact CA-O 2.85Å; A31-N121 HydrophobicContact CB-CB 4.17Å; A31-N121 WeakPolarHBondContact CB-O 3.46Å; A31-I235 HydrophobicContact CB-CG2 3.8Å
32	T	98.8	Very high	97.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	135.1	177.8	-60.8	0	0	0	0	110.9	H29 I34 K59 I61 E112 N121 I122 V123	H29-T32 PolarHBondContact CE1-OG1 3.47Å; H29-T32 PolarHBondContact NE2-OG1 2.95Å; T32-I34 HydrophobicContact CG2-CG1 4.06Å; T32-K59 CarbonylContact C-O 3.54Å; T32-K59 WeakPolarHBondContact CA-O 3.34Å; T32-K59 HydrophobicContact CG2-CB 4.44Å; T32-I61 HydrophobicContact CG2-CD1 3.9Å; T32-I61 HydrophobicContact CG2-CG1 4.07Å; T32-E112 WeakPolarHBondContact CB-OE2 3.3Å; T32-E112 HydrophobicContact CG2-CG 3.92Å; T32-E112 WeakPolarHBondContact CG2-OE2 3.34Å; T32-E112 PolarHBondContact OG1-OE2 3.18Å; T32-N121 PolarHBondContact N-O 3.35Å; T32-I122 WeakPolarHBondContact O-CA 3.44Å; T32-V123 PolarHBondContact O-N 3.16Å
33	L	98.9	Very high	97.7	Very high	1 Å²	1	37 Å²	37	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	118.6	166.2	174.3	62.8	0	0	0	108.8	F35 L50 V54 F58 K59 I60 I61 V123	L33-F35 HydrophobicContact CD1-CD2 4.43Å; L33-F35 HydrophobicContact CD2-CD2 4.44Å; L33-F35 HydrophobicContact CG-CB 4.27Å; L33-L50 HydrophobicContact CD2-CD1 4.13Å; L33-L50 HydrophobicContact CD2-CD2 3.98Å; L33-V54 HydrophobicContact CD2-CG2 3.7Å; L33-F58 HydrophobicContact CB-CD1 4.16Å; L33-K59 PolarHBondContact N-O 3.32Å; L33-I60 WeakPolarHBondContact O-CA 3.34Å; L33-I61 PolarHBondContact O-N 2.85Å; L33-V123 WeakPolarHBondContact CA-O 3.4Å; L33-V123 HydrophobicContact CD1-CB 3.81Å; L33-V123 HydrophobicContact CD1-CG1 3.57Å
34	I	98.9	Very high	97.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	114.2	169.5	-53.5	165	0	0	0	107.6	T32 I61 P63 L105 F108 V109 E112 I122 V123 I124 G125	T32-I34 HydrophobicContact CG2-CG1 4.06Å; I34-I61 CarbonylContact C-O 3.54Å; I34-I61 VanDerWaalsContact CA-O 3.28Å; I34-I61 WeakPolarHBondContact CA-O 3.44Å; I34-I61 HydrophobicContact CG1-CB 4.3Å; I34-I61 HydrophobicContact CG1-CD1 4.47Å; I34-P63 HydrophobicContact CG2-CG 4.15Å; I34-L105 HydrophobicContact CB-CD1 4.16Å; I34-L105 HydrophobicContact CG2-CD1 3.5Å; I34-F108 HydrophobicContact CD1-CB 3.83Å; I34-F108 HydrophobicContact CG2-CB 4.19Å; I34-V109 HydrophobicContact CD1-CB 4.42Å; I34-V109 HydrophobicContact CD1-CG2 3.71Å; I34-E112 HydrophobicContact CD1-CG 4.44Å; I34-I122 HydrophobicContact CD1-CG2 4.11Å; I34-V123 PolarHBondContact N-O 2.91Å; I34-I124 HydrophobicContact CB-CG2 4.47Å; I34-I124 CarbonylContact O-C 3.56Å; I34-I124 WeakPolarHBondContact O-CA 3.48Å; I34-G125 PolarHBondContact O-N 2.96Å
35	F	98.9	Very high	97.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119.4	-171.5	-163.3	-80.5	0	0	0	112.1	L33 W46 L50 I61 C62 G125 F127 V149 F151	L33-F35 HydrophobicContact CD1-CD2 4.43Å; L33-F35 HydrophobicContact CD2-CD2 4.44Å; L33-F35 HydrophobicContact CG-CB 4.27Å; F35-W46 HydrophobicContact CD1-CB 4.05Å; F35-W46 AromaticContact CD1-CD2 3.97Å; F35-W46 HydrophobicContact CD1-CD2 3.97Å; F35-W46 AromaticContact CD1-CE3 3.95Å; F35-W46 HydrophobicContact CD1-CE3 3.95Å; F35-W46 AromaticContact CD1-CG 3.99Å; F35-W46 HydrophobicContact CD1-CG 3.99Å; F35-W46 HydrophobicContact CE1-CB 4.37Å; F35-W46 AromaticContact CE1-CD2 3.38Å; F35-W46 HydrophobicContact CE1-CD2 3.38Å; F35-W46 AromaticContact CE1-CE3 3.22Å; F35-W46 HydrophobicContact CE1-CE3 3.22Å; F35-W46 AromaticContact CE1-CG 3.88Å; F35-W46 HydrophobicContact CE1-CG 3.88Å; F35-W46 HydrophobicContact CE1-CH2 4.36Å; F35-W46 AromaticContact CE1-CZ3 3.74Å; F35-W46 HydrophobicContact CE1-CZ3 3.74Å; F35-W46 HydrophobicContact CZ-CD2 4.24Å; F35-W46 AromaticContact CZ-CE3 3.65Å; F35-W46 HydrophobicContact CZ-CE3 3.65Å; F35-W46 HydrophobicContact CZ-CH2 4.4Å; F35-W46 AromaticContact CZ-CZ3 3.73Å; F35-W46 HydrophobicContact CZ-CZ3 3.73Å; F35-L50 HydrophobicContact CB-CD1 3.66Å; F35-L50 HydrophobicContact CD1-CD1 3.92Å; F35-L50 HydrophobicContact CD2-CD1 3.95Å; F35-L50 HydrophobicContact CD2-CD2 4.46Å; F35-L50 HydrophobicContact CG-CD1 3.57Å; F35-I61 PolarHBondContact N-O 3.04Å; F35-C62 WeakPolarHBondContact O-CA 3.01Å; F35-G125 CarbonylContact C-O 3.56Å; F35-G125 WeakPolarHBondContact CA-O 3.34Å; F35-F127 HydrophobicContact CE1-CB 3.89Å; F35-F127 HydrophobicContact CZ-CB 4.08Å; F35-V149 HydrophobicContact CE2-CG1 3.98Å; F35-F151 HydrophobicContact CE2-CD2 4.22Å; F35-F151 HydrophobicContact CE2-CE2 4.35Å; F35-F151 AromaticContact CZ-CD2 3.85Å; F35-F151 HydrophobicContact CZ-CD2 3.85Å; F35-F151 HydrophobicContact CZ-CE2 4.33Å; F35-F151 HydrophobicContact CZ-CG 4.35Å
36	L	98.9	Very high	97.4	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	133	-177.1	-60.1	173	0	0	0	111.4	P63 W81 L105 G125 G126 F127 G130 V133	L36-P63 HydrophobicContact CD2-CB 4.27Å; L36-P63 HydrophobicContact CD2-CG 4.09Å; L36-W81 HydrophobicContact CB-CZ2 3.92Å; L36-W81 HydrophobicContact CD2-CD2 4.39Å; L36-W81 HydrophobicContact CD2-CE3 4.33Å; L36-W81 HydrophobicContact CD2-CH2 3.46Å; L36-W81 VanDerWaalsContact CD2-CH2 3.46Å; L36-W81 HydrophobicContact CD2-CZ2 3.43Å; L36-W81 VanDerWaalsContact CD2-CZ2 3.43Å; L36-W81 HydrophobicContact CD2-CZ3 3.89Å; L36-W81 HydrophobicContact CG-CZ2 4.23Å; L36-L105 HydrophobicContact CD1-CB 4.3Å; L36-L105 HydrophobicContact CD1-CD1 4.32Å; L36-L105 HydrophobicContact CD1-CD2 3.95Å; L36-L105 HydrophobicContact CD1-CG 4.42Å; L36-L105 HydrophobicContact CG-CD1 4.46Å; L36-G125 PolarHBondContact N-O 2.97Å; L36-G126 CarbonylContact O-C 3.59Å; L36-G126 WeakPolarHBondContact O-CA 3.37Å; L36-F127 PolarHBondContact O-N 3.26Å; L36-G130 VanDerWaalsContact CB-CA 3.45Å; L36-V133 HydrophobicContact CD1-CB 3.73Å; L36-V133 HydrophobicContact CD1-CG1 3.62Å
37	H	98.7	Very high	97.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.186	C	C	.	.			trans	-76.3	168.3	-179.6	66.8	78.6	0	0	0	113	D41 G43 P63 A65 W81 G130	H37-D41 HydrophobicContact CB-CB 4.1Å; H37-D41 PolarHBondContact CE1-O 3.3Å; H37-D41 PolarHBondContact ND1-O 3.23Å; H37-G43 PolarHBondContact CD2-N 3.14Å; H37-P63 PolarHBondContact CD2-O 3.48Å; H37-P63 VanDerWaalsContact CD2-O 3.26Å; H37-A65 PolarHBondContact NE2-N 2.88Å; H37-W81 AromaticContact CD2-CZ2 3.63Å; H37-W81 AromaticContact NE2-CZ2 3.61Å; H37-W81 PolarHBondContact O-NE1 3.43Å; H37-G130 WeakPolarHBondContact O-CA 3.47Å; H37-G130 PolarHBondContact O-N 3.07Å
38	G	98.4	Very high	97.4	Very high	3 Å²	3	33.7 Å²	33.7	3%	0.031	19%	0.188	C	C	.	.			trans	-80	174.7	174.1	0	0	0	0	0	113.7	G40 D41 F127	G38-G40 PolarHBondContact O-N 2.98Å; G38-D41 WeakPolarHBondContact O-CB 3.47Å; G38-D41 PolarHBondContact O-N 3.49Å; G38-F127 WeakPolarHBondContact CA-O 3.39Å; G38-F127 PolarHBondContact N-O 2.98Å
39	L	98.2	Very high	97.4	Very high	48 Å²	48	27.1 Å²	27.1	25%	0.251	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	130.7	177.5	173	65.5	0	0	0	111.8	D41 V70 M78 A80 I84	L39-D41 PolarHBondContact O-N 2.82Å; L39-V70 HydrophobicContact CD1-CG1 4.16Å; L39-V70 HydrophobicContact CD1-CG2 3.85Å; L39-V70 HydrophobicContact CD2-CG1 4.2Å; L39-M78 HydrophobicContact CD1-CG 3.94Å; L39-M78 HydrophobicContact CD1-SD 3.87Å; L39-M78 HydrophobicContact CD2-SD 4.48Å; L39-M78 HydrophobicContact CG-SD 4.08Å; L39-A80 HydrophobicContact CD1-CB 3.54Å; L39-I84 HydrophobicContact CD2-CD1 4.29Å
40	G	97.2	Very high	97.4	Very high	40 Å²	40	24 Å²	24	41%	0.412	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	-7.1	176.6	0	0	0	0	0	115.3	G38 P79	G38-G40 PolarHBondContact O-N 2.98Å; G40-P79 WeakPolarHBondContact CA-O 3.4Å; G40-P79 PolarHBondContact N-O 2.99Å
41	D	96.8	Very high	97.4	Very high	56 Å²	56	26.7 Å²	26.7	30%	0.299	16%	0.161	S	C	.	.			trans	-89.3	-173.2	180	-163.5	3.6	0	0	0	111.5	H37 G38 L39 W46 P79	H37-D41 HydrophobicContact CB-CB 4.1Å; H37-D41 PolarHBondContact CE1-O 3.3Å; H37-D41 PolarHBondContact ND1-O 3.23Å; G38-D41 WeakPolarHBondContact O-CB 3.47Å; G38-D41 PolarHBondContact O-N 3.49Å; L39-D41 PolarHBondContact O-N 2.82Å; D41-W46 VanDerWaalsContact OD2-CD1 3.29Å; D41-W46 PolarHBondContact OD2-NE1 2.97Å; D41-P79 VanDerWaalsContact O-CB 3.3Å; D41-P79 WeakPolarHBondContact O-CB 3.31Å
42	T	95.7	Very high	97.2	Very high	53 Å²	53	32.4 Å²	32.4	33%	0.325	19%	0.188	S	C	.	.			trans	-137.3	163.3	177.3	71.2	0	0	0	0	111.1	H44	T42-H44 PolarHBondContact O-N 3.48Å; T42-H44 PolarHBondContact OG1-N 3.15Å
43	G	95.6	Very high	97.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.1	-20.6	172.9	0	0	0	0	0	115.2	H37 S47 C62 H64	H37-G43 PolarHBondContact CD2-N 3.14Å; G43-S47 VanDerWaalsContact O-CB 3.29Å; G43-S47 WeakPolarHBondContact O-CB 3.34Å; G43-S47 PolarHBondContact O-N 2.66Å; G43-S47 PolarHBondContact O-OG 2.78Å; G43-C62 WeakPolarHBondContact CA-O 3.4Å; G43-C62 WeakPolarHBondContact O-CB 3.3Å; G43-H64 PolarHBondContact N-CE1 3.46Å; G43-H64 VanDerWaalsContact N-CE1 3.32Å; G43-H64 PolarHBondContact N-ND1 3.48Å
44	H	96.9	Very high	97.1	Very high	107 Å²	107	34.5 Å²	34.5	50%	0.495	20%	0.196	S	C	.	.	H	α-helix	trans	-65.3	-50.9	-177.1	-72.7	-59.3	0	0	0	112	T42 W46 S47 D48 H64	T42-H44 PolarHBondContact O-N 3.48Å; T42-H44 PolarHBondContact OG1-N 3.15Å; H44-W46 VanDerWaalsContact C-N 3.3Å; H44-W46 PolarHBondContact O-N 3.48Å; H44-S47 PolarHBondContact O-N 2.88Å; H44-S47 PolarHBondContact O-OG 2.64Å; H44-D48 PolarHBondContact O-N 3.07Å; H44-H64 AromaticContact CD2-CE1 3.51Å; H44-H64 AromaticContact NE2-CE1 3.7Å; H44-H64 AromaticContact NE2-NE2 3.71Å
45	G	92.2	Very high	97.1	Very high	40 Å²	40	35.1 Å²	35.1	41%	0.412	20%	0.2	S	C	.	.	H	α-helix	trans	-56.9	-43.2	-178.6	0	0	0	0	0	112.6	A49	G45-A49 PolarHBondContact O-N 3.08Å
46	W	97	Very high	97	Very high	17 Å²	17	39.1 Å²	39.1	6%	0.064	22%	0.221	C	C	.	.	H	α-helix	trans	-71.8	-41.1	177.3	-75.4	94.3	0	0	0	113.2	F35 D41 H44 D48 A49 L50 F127 F151	F35-W46 HydrophobicContact CD1-CB 4.05Å; F35-W46 AromaticContact CD1-CD2 3.97Å; F35-W46 HydrophobicContact CD1-CD2 3.97Å; F35-W46 AromaticContact CD1-CE3 3.95Å; F35-W46 HydrophobicContact CD1-CE3 3.95Å; F35-W46 AromaticContact CD1-CG 3.99Å; F35-W46 HydrophobicContact CD1-CG 3.99Å; F35-W46 HydrophobicContact CE1-CB 4.37Å; F35-W46 AromaticContact CE1-CD2 3.38Å; F35-W46 HydrophobicContact CE1-CD2 3.38Å; F35-W46 AromaticContact CE1-CE3 3.22Å; F35-W46 HydrophobicContact CE1-CE3 3.22Å; F35-W46 AromaticContact CE1-CG 3.88Å; F35-W46 HydrophobicContact CE1-CG 3.88Å; F35-W46 HydrophobicContact CE1-CH2 4.36Å; F35-W46 AromaticContact CE1-CZ3 3.74Å; F35-W46 HydrophobicContact CE1-CZ3 3.74Å; F35-W46 HydrophobicContact CZ-CD2 4.24Å; F35-W46 AromaticContact CZ-CE3 3.65Å; F35-W46 HydrophobicContact CZ-CE3 3.65Å; F35-W46 HydrophobicContact CZ-CH2 4.4Å; F35-W46 AromaticContact CZ-CZ3 3.73Å; F35-W46 HydrophobicContact CZ-CZ3 3.73Å; D41-W46 VanDerWaalsContact OD2-CD1 3.29Å; D41-W46 PolarHBondContact OD2-NE1 2.97Å; H44-W46 VanDerWaalsContact C-N 3.3Å; H44-W46 PolarHBondContact O-N 3.48Å; W46-D48 VanDerWaalsContact C-N 3.25Å; W46-D48 PolarHBondContact O-N 3.3Å; W46-A49 PolarHBondContact O-N 3.11Å; W46-L50 HydrophobicContact CB-CD1 4.28Å; W46-L50 VanDerWaalsContact O-CB 3.23Å; W46-L50 WeakPolarHBondContact O-CB 3.45Å; W46-L50 WeakPolarHBondContact O-CD1 3.17Å; W46-L50 WeakPolarHBondContact O-CG 3.44Å; W46-L50 PolarHBondContact O-N 3.01Å; W46-F127 HydrophobicContact CD2-CB 4.37Å; W46-F127 AromaticContact CE2-CG 3.93Å; W46-F127 HydrophobicContact CH2-CB 3.55Å; W46-F127 HydrophobicContact CH2-CD1 4.38Å; W46-F127 AromaticContact CH2-CD2 3.55Å; W46-F127 HydrophobicContact CH2-CD2 3.55Å; W46-F127 HydrophobicContact CH2-CE2 4.32Å; W46-F127 AromaticContact CH2-CG 3.58Å; W46-F127 HydrophobicContact CH2-CG 3.58Å; W46-F127 HydrophobicContact CZ2-CB 3.19Å; W46-F127 AromaticContact CZ2-CD1 3.5Å; W46-F127 HydrophobicContact CZ2-CD1 3.5Å; W46-F127 AromaticContact CZ2-CD2 3.52Å; W46-F127 HydrophobicContact CZ2-CD2 3.52Å; W46-F127 HydrophobicContact CZ2-CE1 4.21Å; W46-F127 HydrophobicContact CZ2-CE2 4.22Å; W46-F127 AromaticContact CZ2-CG 3.1Å; W46-F127 HydrophobicContact CZ2-CG 3.1Å; W46-F127 HydrophobicContact CZ3-CB 4.28Å; W46-F151 HydrophobicContact CH2-CD2 4.29Å; W46-F151 HydrophobicContact CZ3-CD2 4.02Å; W46-F151 HydrophobicContact CZ3-CE2 4.42Å
47	S	97.6	Very high	97	Very high	6 Å²	6	40.4 Å²	40.4	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-61.5	-37.6	176.9	72.2	0	0	0	0	111.9	A21 G43 H44 K51	A21-S47 WeakPolarHBondContact CB-OG 3.24Å; G43-S47 VanDerWaalsContact O-CB 3.29Å; G43-S47 WeakPolarHBondContact O-CB 3.34Å; G43-S47 PolarHBondContact O-N 2.66Å; G43-S47 PolarHBondContact O-OG 2.78Å; H44-S47 PolarHBondContact O-N 2.88Å; H44-S47 PolarHBondContact O-OG 2.64Å; S47-K51 WeakPolarHBondContact O-CB 3.2Å; S47-K51 PolarHBondContact O-N 2.95Å; S47-K51 VanDerWaalsContact O-N 3.11Å
48	D	96.2	Very high	97	Very high	82 Å²	82	40.6 Å²	40.6	44%	0.439	23%	0.227	S	C	.	.	H	α-helix	trans	-70.9	-39.4	177.2	-83.2	-36.4	0	0	0	112.6	H44 W46 K51	H44-D48 PolarHBondContact O-N 3.07Å; W46-D48 VanDerWaalsContact C-N 3.25Å; W46-D48 PolarHBondContact O-N 3.3Å; D48-K51 WeakPolarHBondContact O-CE 3.4Å; D48-K51 WeakPolarHBondContact O-CG 3.49Å; D48-K51 IonicContact OD1-NZ 2.66Å; D48-K51 PolarHBondContact OD1-NZ 2.82Å
49	A	96.2	Very high	97	Very high	34 Å²	34	42.1 Å²	42.1	28%	0.281	23%	0.233	S	C	.	.	H	α-helix	trans	-68.3	-44.6	174.3	0	0	0	0	0	111.9	G45 W46 Y53 M224	G45-A49 PolarHBondContact O-N 3.08Å; W46-A49 PolarHBondContact O-N 3.11Å; A49-Y53 VanDerWaalsContact O-CD2 3.3Å; A49-Y53 WeakPolarHBondContact O-CD2 3.5Å; A49-M224 HydrophobicContact CB-CE 4.35Å
50	L	98.3	Very high	97	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-71.8	-32.3	-173.7	-72	163	0	0	0	113.4	L33 F35 W46 E52 Y53 V54 I60 M224 L227	L33-L50 HydrophobicContact CD2-CD1 4.13Å; L33-L50 HydrophobicContact CD2-CD2 3.98Å; F35-L50 HydrophobicContact CB-CD1 3.66Å; F35-L50 HydrophobicContact CD1-CD1 3.92Å; F35-L50 HydrophobicContact CD2-CD1 3.95Å; F35-L50 HydrophobicContact CD2-CD2 4.46Å; F35-L50 HydrophobicContact CG-CD1 3.57Å; W46-L50 HydrophobicContact CB-CD1 4.28Å; W46-L50 VanDerWaalsContact O-CB 3.23Å; W46-L50 WeakPolarHBondContact O-CB 3.45Å; W46-L50 WeakPolarHBondContact O-CD1 3.17Å; W46-L50 WeakPolarHBondContact O-CG 3.44Å; W46-L50 PolarHBondContact O-N 3.01Å; L50-E52 PolarHBondContact O-N 3.23Å; L50-E52 VanDerWaalsContact O-N 3.08Å; L50-Y53 PolarHBondContact O-N 2.95Å; L50-V54 HydrophobicContact CB-CG2 4.19Å; L50-V54 HydrophobicContact CD2-CG2 4.39Å; L50-V54 WeakPolarHBondContact O-CB 3.3Å; L50-V54 WeakPolarHBondContact O-CG2 3.18Å; L50-V54 PolarHBondContact O-N 2.84Å; L50-I60 HydrophobicContact CB-CD1 3.89Å; L50-I60 HydrophobicContact CB-CG2 4.4Å; L50-I60 HydrophobicContact CD1-CG2 4.22Å; L50-M224 HydrophobicContact CD2-CE 3.69Å; L50-M224 HydrophobicContact CD2-SD 4.48Å; L50-M224 HydrophobicContact CG-CE 4.16Å; L50-L227 HydrophobicContact CD2-CD2 3.53Å
51	K	97.1	Very high	97.1	Very high	72 Å²	72	38.5 Å²	38.5	31%	0.313	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-31.4	-175.1	75.9	-166.4	172.1	-169	0	112.9	V23 R26 S47 D48 I60	V23-K51 HydrophobicContact CG1-CB 4.03Å; V23-K51 HydrophobicContact CG2-CB 4.45Å; R26-K51 PolarHBondContact NH1-O 3.36Å; S47-K51 WeakPolarHBondContact O-CB 3.2Å; S47-K51 PolarHBondContact O-N 2.95Å; S47-K51 VanDerWaalsContact O-N 3.11Å; D48-K51 WeakPolarHBondContact O-CE 3.4Å; D48-K51 WeakPolarHBondContact O-CG 3.49Å; D48-K51 IonicContact OD1-NZ 2.66Å; D48-K51 PolarHBondContact OD1-NZ 2.82Å; K51-I60 HydrophobicContact CB-CD1 4.17Å
52	E	95.4	Very high	97.2	Very high	121 Å²	121	35.9 Å²	35.9	57%	0.565	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-24.5	-179.1	-63.1	-173.3	173.4	0	0	112.8	L50 R228	L50-E52 PolarHBondContact O-N 3.23Å; L50-E52 VanDerWaalsContact O-N 3.08Å; E52-R228 PolarHBondContact O-NH2 3.18Å
53	Y	97.6	Very high	97.3	Very high	43 Å²	43	33.3 Å²	33.3	17%	0.169	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-30.8	-170	-65.8	-90.5	0	0	0	113.8	A49 L50 M224 R228	A49-Y53 VanDerWaalsContact O-CD2 3.3Å; A49-Y53 WeakPolarHBondContact O-CD2 3.5Å; L50-Y53 PolarHBondContact O-N 2.95Å; Y53-M224 VanDerWaalsContact CD1-C 3.49Å; Y53-M224 HydrophobicContact CD1-CB 3.42Å; Y53-M224 VanDerWaalsContact CD1-CB 3.42Å; Y53-M224 HydrophobicContact CD2-CB 3.68Å; Y53-M224 HydrophobicContact CD2-CE 3.68Å; Y53-M224 HydrophobicContact CD2-CG 4.27Å; Y53-M224 HydrophobicContact CE1-CB 3.57Å; Y53-M224 HydrophobicContact CE2-CB 3.84Å; Y53-M224 HydrophobicContact CE2-CE 4.34Å; Y53-M224 HydrophobicContact CE2-CG 4.29Å; Y53-M224 HydrophobicContact CG-CB 3.47Å; Y53-M224 VanDerWaalsContact CG-CB 3.47Å; Y53-M224 HydrophobicContact CG-CE 4.16Å; Y53-M224 HydrophobicContact CG-CG 4.48Å; Y53-R228 WeakPolarHBondContact O-CB 3.41Å; Y53-R228 WeakPolarHBondContact O-CG 3.42Å; Y53-R228 PolarHBondContact O-NE 3.18Å
54	V	97.9	Very high	97.4	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	18%	0.182	C	C	.	.	S	Bend	trans	-67.1	140.1	179	166.4	0	0	0	0	110.9	R26 L33 L50 F58 I60 L231	R26-V54 PolarHBondContact NH2-O 2.63Å; L33-V54 HydrophobicContact CD2-CG2 3.7Å; L50-V54 HydrophobicContact CB-CG2 4.19Å; L50-V54 HydrophobicContact CD2-CG2 4.39Å; L50-V54 WeakPolarHBondContact O-CB 3.3Å; L50-V54 WeakPolarHBondContact O-CG2 3.18Å; L50-V54 PolarHBondContact O-N 2.84Å; V54-F58 HydrophobicContact CG1-CB 3.12Å; V54-F58 HydrophobicContact CG1-CD1 4.15Å; V54-F58 HydrophobicContact CG1-CD2 4.33Å; V54-F58 HydrophobicContact CG1-CG 3.67Å; V54-I60 HydrophobicContact CB-CD1 4Å; V54-I60 HydrophobicContact CB-CG1 4.32Å; V54-I60 HydrophobicContact CG1-CD1 4.23Å; V54-I60 HydrophobicContact CG1-CG1 4.06Å; V54-I60 HydrophobicContact CG2-CD1 4.02Å; V54-I60 HydrophobicContact CG2-CG1 4.24Å; V54-L231 HydrophobicContact CB-CD1 4.4Å; V54-L231 HydrophobicContact CG1-CD1 4.44Å; V54-L231 HydrophobicContact CG2-CD1 3.86Å
55	P	98.1	Very high	97.5	Very high	13 Å²	13	30.2 Å²	30.2	8%	0.084	16%	0.162	C	C	.	.			trans	-58.9	153.5	179.7	-23.1	32.9	0	0	0	113.8	Y57 F58 L231 S232	P55-Y57 HydrophobicContact CB-CD1 3.98Å; P55-Y57 HydrophobicContact CB-CE1 3.44Å; P55-Y57 VanDerWaalsContact CB-CE1 3.44Å; P55-Y57 HydrophobicContact CB-CE2 4.37Å; P55-Y57 HydrophobicContact CG-CE1 4.42Å; P55-Y57 PolarHBondContact O-N 3.12Å; P55-F58 HydrophobicContact CB-CD2 3.88Å; P55-F58 HydrophobicContact CB-CE2 4.24Å; P55-F58 HydrophobicContact CG-CD2 3.94Å; P55-F58 HydrophobicContact CG-CE2 3.93Å; P55-F58 WeakPolarHBondContact O-CB 3.17Å; P55-F58 PolarHBondContact O-N 2.9Å; P55-L231 HydrophobicContact CG-CB 4.11Å; P55-S232 WeakPolarHBondContact CG-OG 3.49Å
56	D	97.6	Very high	97.7	Very high	84 Å²	84	33 Å²	33	45%	0.449	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.1	-170.5	-68.3	-12.6	0	0	0	115.1	S25 R26 S27 F58	S25-D56 CarbonylContact C-O 3.5Å; S25-D56 WeakPolarHBondContact CB-O 3.23Å; R26-D56 HydrophobicContact CB-CB 4.12Å; R26-D56 IonicContact CZ-OD1 2.74Å; R26-D56 PolarHBondContact N-O 2.59Å; R26-D56 IonicContact NE-OD1 3.74Å; R26-D56 PolarHBondContact NE-OD1 2.84Å; R26-D56 IonicContact NH2-OD1 3.56Å; R26-D56 PolarHBondContact NH2-OD1 2.99Å; S27-D56 PolarHBondContact N-O 3.3Å; S27-D56 VanDerWaalsContact OG-C 3.25Å; S27-D56 PolarHBondContact OG-O 2.87Å; D56-F58 VanDerWaalsContact C-N 3.33Å
57	Y	97.7	Very high	97.8	Very high	28 Å²	28	36.1 Å²	36.1	11%	0.11	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	1	-178.1	53.8	-90.2	0	0	0	114	S27 K28 S30 A31 P55 I235 A237	S27-Y57 VanDerWaalsContact OG-CA 3.3Å; S27-Y57 WeakPolarHBondContact OG-CA 3.47Å; S27-Y57 PolarHBondContact OG-N 3.11Å; K28-Y57 WeakPolarHBondContact O-CB 3.45Å; S30-Y57 PolarHBondContact N-O 2.83Å; S30-Y57 WeakPolarHBondContact OG-CD2 3.46Å; A31-Y57 HydrophobicContact CB-CD2 4.12Å; A31-Y57 HydrophobicContact CB-CE2 4.35Å; A31-Y57 PolarHBondContact N-O 3.22Å; P55-Y57 HydrophobicContact CB-CD1 3.98Å; P55-Y57 HydrophobicContact CB-CE1 3.44Å; P55-Y57 VanDerWaalsContact CB-CE1 3.44Å; P55-Y57 HydrophobicContact CB-CE2 4.37Å; P55-Y57 HydrophobicContact CG-CE1 4.42Å; P55-Y57 PolarHBondContact O-N 3.12Å; Y57-I235 VanDerWaalsContact CE2-O 3.25Å; Y57-I235 WeakPolarHBondContact CE2-O 3.29Å; Y57-I235 PolarHBondContact OH-O 3.42Å; Y57-A237 HydrophobicContact CD1-CB 3.67Å; Y57-A237 HydrophobicContact CD2-CB 4.43Å; Y57-A237 HydrophobicContact CE1-CB 3.72Å; Y57-A237 HydrophobicContact CE2-CB 4.43Å; Y57-A237 HydrophobicContact CG-CB 4.04Å
58	F	98.6	Very high	97.8	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.018	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	135.9	174.9	-85.2	-108.2	0	0	0	111.7	S25 A31 L33 V54 P55 D56 V123 L231 I235	S25-F58 VanDerWaalsContact CA-O 3.24Å; S25-F58 WeakPolarHBondContact CA-O 3.44Å; S25-F58 WeakPolarHBondContact CB-O 3.25Å; A31-F58 HydrophobicContact CB-CD1 3.76Å; A31-F58 HydrophobicContact CB-CD2 3.76Å; A31-F58 HydrophobicContact CB-CE1 3.69Å; A31-F58 HydrophobicContact CB-CE2 3.72Å; A31-F58 HydrophobicContact CB-CG 3.79Å; A31-F58 HydrophobicContact CB-CZ 3.68Å; A31-F58 CarbonylContact O-C 3.56Å; A31-F58 VanDerWaalsContact O-CA 3.24Å; A31-F58 WeakPolarHBondContact O-CA 3.34Å; L33-F58 HydrophobicContact CB-CD1 4.16Å; V54-F58 HydrophobicContact CG1-CB 3.12Å; V54-F58 HydrophobicContact CG1-CD1 4.15Å; V54-F58 HydrophobicContact CG1-CD2 4.33Å; V54-F58 HydrophobicContact CG1-CG 3.67Å; P55-F58 HydrophobicContact CB-CD2 3.88Å; P55-F58 HydrophobicContact CB-CE2 4.24Å; P55-F58 HydrophobicContact CG-CD2 3.94Å; P55-F58 HydrophobicContact CG-CE2 3.93Å; P55-F58 WeakPolarHBondContact O-CB 3.17Å; P55-F58 PolarHBondContact O-N 2.9Å; D56-F58 VanDerWaalsContact C-N 3.33Å; F58-V123 HydrophobicContact CE1-CG2 4.13Å; F58-L231 HydrophobicContact CE1-CD2 4.02Å; F58-L231 HydrophobicContact CE2-CB 4.3Å; F58-L231 HydrophobicContact CZ-CB 4.03Å; F58-L231 HydrophobicContact CZ-CD2 4.08Å; F58-L231 HydrophobicContact CZ-CG 4.48Å; F58-I235 HydrophobicContact CE1-CD1 4.18Å; F58-I235 HydrophobicContact CE2-CB 4.38Å; F58-I235 HydrophobicContact CE2-CG2 4.36Å; F58-I235 HydrophobicContact CZ-CB 3.89Å; F58-I235 HydrophobicContact CZ-CD1 3.81Å; F58-I235 HydrophobicContact CZ-CG1 4.43Å; F58-I235 HydrophobicContact CZ-CG2 3.99Å
59	K	98.6	Very high	97.9	Very high	35 Å²	35	37.9 Å²	37.9	15%	0.152	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	145.8	158.1	-178.8	172.6	61.6	-177.5	0	109.2	V22 V23 H29 A31 T32 L33 I61 E112	V22-K59 HydrophobicContact CG1-CD 4.21Å; V22-K59 HydrophobicContact CG1-CG 4.26Å; V23-K59 WeakPolarHBondContact O-CG 3.44Å; H29-K59 VanDerWaalsContact CE1-CE 3.48Å; H29-K59 WeakPolarHBondContact CE1-CE 3.42Å; H29-K59 WeakPolarHBondContact NE2-CB 3.42Å; A31-K59 PolarHBondContact O-N 2.83Å; T32-K59 CarbonylContact C-O 3.54Å; T32-K59 WeakPolarHBondContact CA-O 3.34Å; T32-K59 HydrophobicContact CG2-CB 4.44Å; L33-K59 PolarHBondContact N-O 3.32Å; K59-I61 HydrophobicContact CG-CG1 4.44Å; K59-E112 VanDerWaalsContact CE-CD 3.41Å; K59-E112 WeakPolarHBondContact CE-OE1 3.44Å; K59-E112 WeakPolarHBondContact CE-OE2 3.12Å; K59-E112 IonicContact NZ-OE1 2.75Å; K59-E112 PolarHBondContact NZ-OE1 2.86Å; K59-E112 IonicContact NZ-OE2 3.24Å; K59-E112 PolarHBondContact NZ-OE2 2.69Å
60	I	98.8	Very high	98.1	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132	174.3	-53.6	164.6	0	0	0	108.4	V22 V23 L33 L50 K51 V54	V22-I60 WeakPolarHBondContact CA-O 3.36Å; V23-I60 HydrophobicContact CB-CB 4.15Å; V23-I60 HydrophobicContact CB-CD1 4.36Å; V23-I60 PolarHBondContact N-O 2.76Å; V23-I60 PolarHBondContact O-N 2.86Å; L33-I60 WeakPolarHBondContact O-CA 3.34Å; L50-I60 HydrophobicContact CB-CD1 3.89Å; L50-I60 HydrophobicContact CB-CG2 4.4Å; L50-I60 HydrophobicContact CD1-CG2 4.22Å; K51-I60 HydrophobicContact CB-CD1 4.17Å; V54-I60 HydrophobicContact CB-CD1 4Å; V54-I60 HydrophobicContact CB-CG1 4.32Å; V54-I60 HydrophobicContact CG1-CD1 4.23Å; V54-I60 HydrophobicContact CG1-CG1 4.06Å; V54-I60 HydrophobicContact CG2-CD1 4.02Å; V54-I60 HydrophobicContact CG2-CG1 4.24Å
61	I	98.8	Very high	98.1	Very high	10 Å²	10	39.8 Å²	39.8	5%	0.051	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	120.3	172.5	-57.1	178.5	0	0	0	107.4	A20 V22 T32 L33 I34 F35 K59 P63 F108 E112	A20-I61 HydrophobicContact CB-CG2 3.89Å; V22-I61 HydrophobicContact CG2-CG1 4.47Å; V22-I61 HydrophobicContact CG2-CG2 4.49Å; T32-I61 HydrophobicContact CG2-CD1 3.9Å; T32-I61 HydrophobicContact CG2-CG1 4.07Å; L33-I61 PolarHBondContact O-N 2.85Å; I34-I61 CarbonylContact C-O 3.54Å; I34-I61 VanDerWaalsContact CA-O 3.28Å; I34-I61 WeakPolarHBondContact CA-O 3.44Å; I34-I61 HydrophobicContact CG1-CB 4.3Å; I34-I61 HydrophobicContact CG1-CD1 4.47Å; F35-I61 PolarHBondContact N-O 3.04Å; K59-I61 HydrophobicContact CG-CG1 4.44Å; I61-P63 HydrophobicContact CG2-CG 4.15Å; I61-P63 WeakPolarHBondContact O-CD 3.42Å; I61-F108 HydrophobicContact CG2-CD1 3.72Å; I61-F108 HydrophobicContact CG2-CE1 3.98Å; I61-E112 HydrophobicContact CD1-CG 3.91Å
62	C	98.8	Very high	98.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	91.9	174.8	-65.1	0	0	0	0	109	A20 A21 F35 G43	A20-C62 WeakPolarHBondContact CA-O 3.39Å; A21-C62 HydrophobicContact CB-CB 4.36Å; A21-C62 PolarHBondContact N-O 3.39Å; A21-C62 PolarHBondContact O-N 3.18Å; F35-C62 WeakPolarHBondContact O-CA 3.01Å; G43-C62 WeakPolarHBondContact CA-O 3.4Å; G43-C62 WeakPolarHBondContact O-CB 3.3Å
63	P	98.6	Very high	98.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	150.4	178.3	-24	36.7	0	0	0	112.6	A20 I34 L36 H37 I61 W81 F108	A20-P63 HydrophobicContact CB-CB 4.42Å; A20-P63 HydrophobicContact CB-CG 4.5Å; I34-P63 HydrophobicContact CG2-CG 4.15Å; L36-P63 HydrophobicContact CD2-CB 4.27Å; L36-P63 HydrophobicContact CD2-CG 4.09Å; H37-P63 PolarHBondContact CD2-O 3.48Å; H37-P63 VanDerWaalsContact CD2-O 3.26Å; I61-P63 HydrophobicContact CG2-CG 4.15Å; I61-P63 WeakPolarHBondContact O-CD 3.42Å; P63-W81 HydrophobicContact CB-CH2 3.83Å; P63-F108 HydrophobicContact CB-CD2 4.21Å; P63-F108 HydrophobicContact CB-CE1 4.33Å; P63-F108 HydrophobicContact CB-CE2 3.5Å; P63-F108 HydrophobicContact CB-CZ 3.56Å; P63-F108 HydrophobicContact CG-CD1 4.13Å; P63-F108 HydrophobicContact CG-CD2 3.63Å; P63-F108 HydrophobicContact CG-CE1 3.91Å; P63-F108 HydrophobicContact CG-CE2 3.42Å; P63-F108 VanDerWaalsContact CG-CE2 3.42Å; P63-F108 HydrophobicContact CG-CG 3.99Å; P63-F108 HydrophobicContact CG-CZ 3.55Å
64	H	98.2	Very high	98.1	Very high	33 Å²	33	37.8 Å²	37.8	15%	0.153	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-97.5	121.3	172.2	-60.1	-73.4	0	0	0	109.5	P19 A21 G43 H44	P19-H64 PolarHBondContact O-CD2 2.82Å; P19-H64 VanDerWaalsContact O-CD2 3.31Å; P19-H64 PolarHBondContact O-N 3.31Å; A21-H64 PolarHBondContact N-NE2 2.93Å; G43-H64 PolarHBondContact N-CE1 3.46Å; G43-H64 VanDerWaalsContact N-CE1 3.32Å; G43-H64 PolarHBondContact N-ND1 3.48Å; H44-H64 AromaticContact CD2-CE1 3.51Å; H44-H64 AromaticContact NE2-CE1 3.7Å; H44-H64 AromaticContact NE2-NE2 3.71Å
65	A	98.3	Very high	98.1	Very high	9 Å²	9	39.6 Å²	39.6	7%	0.074	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-64.5	149.2	171.4	0	0	0	0	0	111	H37 P79 W81	H37-A65 PolarHBondContact NE2-N 2.88Å; A65-P79 HydrophobicContact CB-CB 4.47Å; A65-W81 HydrophobicContact CB-CD2 3.78Å; A65-W81 HydrophobicContact CB-CE3 3.79Å; A65-W81 HydrophobicContact CB-CG 4.36Å; A65-W81 HydrophobicContact CB-CH2 3.88Å; A65-W81 HydrophobicContact CB-CZ2 3.94Å; A65-W81 HydrophobicContact CB-CZ3 3.85Å
66	N	97.3	Very high	98.1	Very high	97 Å²	97	44.6 Å²	44.6	52%	0.519	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-64.9	153.3	170.5	-71.8	-41.6	0	0	0	110.6	I68 P79 A80	N66-I68 PolarHBondContact O-N 3.47Å; N66-P79 WeakPolarHBondContact O-CA 3.34Å; N66-A80 PolarHBondContact O-N 3.14Å; N66-A80 VanDerWaalsContact O-N 3.14Å
67	S	98.3	Very high	98.2	Very high	84 Å²	84	45.1 Å²	45.1	59%	0.587	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	117.4	170.4	-66.8	0	0	0	0	110.1	M78	S67-M78 WeakPolarHBondContact CA-O 3.16Å
68	I	98.4	Very high	98.2	Very high	48 Å²	48	45.3 Å²	45.3	25%	0.246	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	154.9	178.5	61.9	171.3	0	0	0	109.8	N66 C77 M78 A80	N66-I68 PolarHBondContact O-N 3.47Å; I68-C77 WeakPolarHBondContact O-CA 3.4Å; I68-M78 PolarHBondContact N-O 2.92Å; I68-M78 VanDerWaalsContact N-O 3.08Å; I68-M78 PolarHBondContact O-N 2.93Å; I68-M78 VanDerWaalsContact O-N 3.12Å; I68-A80 HydrophobicContact CD1-CB 3.95Å; I68-A80 HydrophobicContact CG1-CB 3.75Å
69	P	98.3	Very high	98.2	Very high	77 Å²	77	46.6 Å²	46.6	50%	0.5	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	136	171.7	27.5	-34.8	0	0	0	110.4
70	V	98.6	Very high	98.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	115.5	-178.9	178.8	0	0	0	0	110.4	L39 L72 N73 G75 M76 M78 A80 D83	L39-V70 HydrophobicContact CD1-CG1 4.16Å; L39-V70 HydrophobicContact CD1-CG2 3.85Å; L39-V70 HydrophobicContact CD2-CG1 4.2Å; V70-L72 HydrophobicContact CG1-CB 4.23Å; V70-L72 PolarHBondContact O-N 3.39Å; V70-N73 HydrophobicContact CB-CB 4.41Å; V70-N73 HydrophobicContact CG1-CB 4.34Å; V70-N73 CarbonylContact O-C 3.41Å; V70-N73 PolarHBondContact O-N 3.23Å; V70-N73 VanDerWaalsContact O-N 3.07Å; V70-G75 WeakPolarHBondContact O-CA 3.39Å; V70-G75 PolarHBondContact O-N 3.25Å; V70-M76 PolarHBondContact N-O 3.36Å; V70-M78 HydrophobicContact CG2-CG 3.85Å; V70-M78 HydrophobicContact CG2-SD 4.45Å; V70-A80 HydrophobicContact CG2-CB 3.84Å; V70-D83 WeakPolarHBondContact CA-OD1 3.47Å
71	T	98.4	Very high	98.2	Very high	74 Å²	74	45.9 Å²	45.9	45%	0.454	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-60.2	-44	-174.9	-67.8	0	0	0	0	112.1	N73 G74 D83 Y85	T71-N73 PolarHBondContact O-N 2.98Å; T71-N73 VanDerWaalsContact O-N 3.1Å; T71-G74 PolarHBondContact O-N 3.38Å; T71-D83 WeakPolarHBondContact CB-OD2 3.35Å; T71-D83 PolarHBondContact N-OD1 3.18Å; T71-D83 PolarHBondContact OG1-OD2 3.15Å; T71-Y85 HydrophobicContact CG2-CD1 4.11Å
72	L	97.2	Very high	98.2	Very high	66 Å²	66	45.7 Å²	45.7	35%	0.346	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-52.8	-34.3	176.4	178.4	68.4	0	0	0	111.8	V70 I84 L87	V70-L72 HydrophobicContact CG1-CB 4.23Å; V70-L72 PolarHBondContact O-N 3.39Å; L72-I84 WeakPolarHBondContact CA-O 3.28Å; L72-I84 HydrophobicContact CB-CB 4.32Å; L72-I84 HydrophobicContact CB-CG2 4.1Å; L72-I84 WeakPolarHBondContact CB-O 3.48Å; L72-I84 HydrophobicContact CD2-CB 4.49Å; L72-I84 HydrophobicContact CD2-CG2 3.83Å; L72-I84 HydrophobicContact CG-CG2 4.48Å; L72-I84 PolarHBondContact N-O 3.38Å; L72-L87 HydrophobicContact CD2-CD1 3.79Å; L72-L87 HydrophobicContact CD2-CG 3.86Å
73	N	97.3	Very high	98.2	Very high	52 Å²	52	46.9 Å²	46.9	28%	0.278	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-101.3	30.4	-177.5	-67.9	-16.3	0	0	0	112	V70 T71 G75 M76 M78	V70-N73 HydrophobicContact CB-CB 4.41Å; V70-N73 HydrophobicContact CG1-CB 4.34Å; V70-N73 CarbonylContact O-C 3.41Å; V70-N73 PolarHBondContact O-N 3.23Å; V70-N73 VanDerWaalsContact O-N 3.07Å; T71-N73 PolarHBondContact O-N 2.98Å; T71-N73 VanDerWaalsContact O-N 3.1Å; N73-G75 PolarHBondContact O-N 3.06Å; N73-M76 HydrophobicContact CB-CB 4.49Å; N73-M76 HydrophobicContact CB-CE 3.99Å; N73-M76 WeakPolarHBondContact O-CE 3.31Å; N73-M76 WeakPolarHBondContact O-CG 3.31Å; N73-M76 PolarHBondContact O-N 3.33Å; N73-M78 HydrophobicContact CB-CE 3.73Å; N73-M78 VanDerWaalsContact ND2-CE 3.29Å; N73-M78 WeakPolarHBondContact ND2-CE 3.07Å; N73-M78 PolarHBondContact ND2-SD 3.47Å
74	G	97.3	Very high	98.1	Very high	76 Å²	76	47.3 Å²	47.3	78%	0.784	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	24	175.8	0	0	0	0	0	114.3	T71	T71-G74 PolarHBondContact O-N 3.38Å
75	G	97.7	Very high	98.1	Very high	39 Å²	39	49.2 Å²	49.2	40%	0.402	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	8.9	-179.3	0	0	0	0	0	114.7	V70 N73 C77	V70-G75 WeakPolarHBondContact O-CA 3.39Å; V70-G75 PolarHBondContact O-N 3.25Å; N73-G75 PolarHBondContact O-N 3.06Å; G75-C77 PolarHBondContact O-N 3.19Å
76	M	97.9	Very high	97.9	Very high	118 Å²	118	50.9 Å²	50.9	58%	0.581	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.7	133.4	173.2	-72.2	-169.8	-69.6	0	0	110.9	V70 N73 M78	V70-M76 PolarHBondContact N-O 3.36Å; N73-M76 HydrophobicContact CB-CB 4.49Å; N73-M76 HydrophobicContact CB-CE 3.99Å; N73-M76 WeakPolarHBondContact O-CE 3.31Å; N73-M76 WeakPolarHBondContact O-CG 3.31Å; N73-M76 PolarHBondContact O-N 3.33Å; M76-M78 HydrophobicContact CB-CE 3.7Å; M76-M78 HydrophobicContact CE-CE 4.49Å
77	C	98.3	Very high	97.6	Very high	94 Å²	94	49.2 Å²	49.2	64%	0.635	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	126.9	176.4	-67.8	0	0	0	0	111.1	I68 G75	I68-C77 WeakPolarHBondContact O-CA 3.4Å; G75-C77 PolarHBondContact O-N 3.19Å
78	M	98.4	Very high	97.2	Very high	33 Å²	33	48.1 Å²	48.1	16%	0.163	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	163.4	176.8	62.4	-167.1	71.5	0	0	110.6	L39 S67 I68 V70 N73 M76 A80	L39-M78 HydrophobicContact CD1-CG 3.94Å; L39-M78 HydrophobicContact CD1-SD 3.87Å; L39-M78 HydrophobicContact CD2-SD 4.48Å; L39-M78 HydrophobicContact CG-SD 4.08Å; S67-M78 WeakPolarHBondContact CA-O 3.16Å; I68-M78 PolarHBondContact N-O 2.92Å; I68-M78 VanDerWaalsContact N-O 3.08Å; I68-M78 PolarHBondContact O-N 2.93Å; I68-M78 VanDerWaalsContact O-N 3.12Å; V70-M78 HydrophobicContact CG2-CG 3.85Å; V70-M78 HydrophobicContact CG2-SD 4.45Å; N73-M78 HydrophobicContact CB-CE 3.73Å; N73-M78 VanDerWaalsContact ND2-CE 3.29Å; N73-M78 WeakPolarHBondContact ND2-CE 3.07Å; N73-M78 PolarHBondContact ND2-SD 3.47Å; M76-M78 HydrophobicContact CB-CE 3.7Å; M76-M78 HydrophobicContact CE-CE 4.49Å; M78-A80 PolarHBondContact O-N 2.91Å; M78-A80 VanDerWaalsContact O-N 3.14Å
79	P	98.4	Very high	96.5	Very high	30 Å²	30	50.6 Å²	50.6	20%	0.195	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	118.4	173.7	-26	35.3	0	0	0	111.3	G40 D41 A65 N66	G40-P79 WeakPolarHBondContact CA-O 3.4Å; G40-P79 PolarHBondContact N-O 2.99Å; D41-P79 VanDerWaalsContact O-CB 3.3Å; D41-P79 WeakPolarHBondContact O-CB 3.31Å; A65-P79 HydrophobicContact CB-CB 4.47Å; N66-P79 WeakPolarHBondContact O-CA 3.34Å
80	A	98.7	Very high	96	Very high	4 Å²	4	53.2 Å²	53.2	3%	0.033	32%	0.32	C	S	.	.			trans	-152.6	142.1	177.7	0	0	0	0	0	110.7	L39 N66 I68 V70 M78	L39-A80 HydrophobicContact CD1-CB 3.54Å; N66-A80 PolarHBondContact O-N 3.14Å; N66-A80 VanDerWaalsContact O-N 3.14Å; I68-A80 HydrophobicContact CD1-CB 3.95Å; I68-A80 HydrophobicContact CG1-CB 3.75Å; V70-A80 HydrophobicContact CG2-CB 3.84Å; M78-A80 PolarHBondContact O-N 2.91Å; M78-A80 VanDerWaalsContact O-N 3.14Å
81	W	98.8	Very high	95.6	Very high	19 Å²	19	54 Å²	54	7%	0.072	33%	0.327	C	S	.	.	S	Bend	trans	-73.5	-34.3	178.7	-61.6	108.2	0	0	0	112.4	L18 L36 H37 P63 A65 A101 Q129 V133	L18-W81 HydrophobicContact CD1-CZ3 4.09Å; L36-W81 HydrophobicContact CB-CZ2 3.92Å; L36-W81 HydrophobicContact CD2-CD2 4.39Å; L36-W81 HydrophobicContact CD2-CE3 4.33Å; L36-W81 HydrophobicContact CD2-CH2 3.46Å; L36-W81 VanDerWaalsContact CD2-CH2 3.46Å; L36-W81 HydrophobicContact CD2-CZ2 3.43Å; L36-W81 VanDerWaalsContact CD2-CZ2 3.43Å; L36-W81 HydrophobicContact CD2-CZ3 3.89Å; L36-W81 HydrophobicContact CG-CZ2 4.23Å; H37-W81 AromaticContact CD2-CZ2 3.63Å; H37-W81 AromaticContact NE2-CZ2 3.61Å; H37-W81 PolarHBondContact O-NE1 3.43Å; P63-W81 HydrophobicContact CB-CH2 3.83Å; A65-W81 HydrophobicContact CB-CD2 3.78Å; A65-W81 HydrophobicContact CB-CE3 3.79Å; A65-W81 HydrophobicContact CB-CG 4.36Å; A65-W81 HydrophobicContact CB-CH2 3.88Å; A65-W81 HydrophobicContact CB-CZ2 3.94Å; A65-W81 HydrophobicContact CB-CZ3 3.85Å; W81-A101 HydrophobicContact CB-CB 3.82Å; W81-A101 WeakPolarHBondContact O-CB 3.49Å; W81-Q129 HydrophobicContact CB-CG 4.27Å; W81-V133 HydrophobicContact CB-CG2 3.76Å; W81-V133 HydrophobicContact CG-CG2 4.05Å
82	Y	98.7	Very high	95.5	Very high	7 Å²	7	58.2 Å²	58.2	3%	0.027	34%	0.339	C	S	.	.	S	Bend	trans	-156.6	166	178.7	56.8	-93.5	0	0	0	109.4	I84 I98 Q129 S132 V133 W154	Y82-I84 HydrophobicContact CD2-CG1 4.35Å; Y82-I84 HydrophobicContact CE2-CG1 3.98Å; Y82-I98 HydrophobicContact CD1-CB 4.49Å; Y82-I98 HydrophobicContact CD1-CG1 3.7Å; Y82-I98 HydrophobicContact CD2-CD1 4.21Å; Y82-I98 HydrophobicContact CD2-CG1 3.61Å; Y82-I98 HydrophobicContact CE1-CG1 3.86Å; Y82-I98 HydrophobicContact CE2-CD1 4.12Å; Y82-I98 HydrophobicContact CE2-CG1 3.79Å; Y82-I98 HydrophobicContact CG-CG1 3.58Å; Y82-Q129 HydrophobicContact CD1-CG 4.03Å; Y82-Q129 HydrophobicContact CE1-CG 3.45Å; Y82-Q129 VanDerWaalsContact CE1-CG 3.45Å; Y82-Q129 HydrophobicContact CE2-CG 4.34Å; Y82-Q129 PolarHBondContact O-NE2 3.44Å; Y82-S132 WeakPolarHBondContact OH-CB 3.5Å; Y82-V133 HydrophobicContact CD1-CG2 3.86Å; Y82-V133 HydrophobicContact CE1-CG2 3.66Å; Y82-W154 VanDerWaalsContact OH-CZ2 3.28Å; Y82-W154 WeakPolarHBondContact OH-CZ2 3.44Å
83	D	98.5	Very high	95.5	Very high	24 Å²	24	57 Å²	57	13%	0.128	33%	0.332	C	S	.	.			trans	-75.2	138.7	178.4	-166.5	6.3	0	0	0	111.5	V70 T71 Y85 D94	V70-D83 WeakPolarHBondContact CA-OD1 3.47Å; T71-D83 WeakPolarHBondContact CB-OD2 3.35Å; T71-D83 PolarHBondContact N-OD1 3.18Å; T71-D83 PolarHBondContact OG1-OD2 3.15Å; D83-Y85 HydrophobicContact CB-CD1 4.47Å; D83-Y85 HydrophobicContact CB-CE1 3.92Å; D83-Y85 VanDerWaalsContact OD2-CE1 3.22Å; D83-Y85 WeakPolarHBondContact OD2-CE1 3.42Å; D83-D94 HydrophobicContact CB-CB 4.18Å; D83-D94 PolarHBondContact N-OD2 3.43Å; D83-D94 VanDerWaalsContact O-CB 3.25Å; D83-D94 WeakPolarHBondContact O-CB 3.33Å
84	I	97.7	Very high	95.6	Very high	9 Å²	9	55.9 Å²	55.9	5%	0.046	33%	0.326	C	S	.	.			trans	-108.5	118.8	173.6	-63.9	174	0	0	0	107.3	L39 L72 Y82 L87 Q129 W154	L39-I84 HydrophobicContact CD2-CD1 4.29Å; L72-I84 WeakPolarHBondContact CA-O 3.28Å; L72-I84 HydrophobicContact CB-CB 4.32Å; L72-I84 HydrophobicContact CB-CG2 4.1Å; L72-I84 WeakPolarHBondContact CB-O 3.48Å; L72-I84 HydrophobicContact CD2-CB 4.49Å; L72-I84 HydrophobicContact CD2-CG2 3.83Å; L72-I84 HydrophobicContact CG-CG2 4.48Å; L72-I84 PolarHBondContact N-O 3.38Å; Y82-I84 HydrophobicContact CD2-CG1 4.35Å; Y82-I84 HydrophobicContact CE2-CG1 3.98Å; I84-L87 HydrophobicContact CD1-CD2 4.41Å; I84-L87 HydrophobicContact CG2-CD2 3.74Å; I84-L87 HydrophobicContact CG2-CG 4.08Å; I84-Q129 HydrophobicContact CD1-CG 4.3Å; I84-W154 HydrophobicContact CD1-CH2 4.3Å
85	Y	97.6	Very high	95.6	Very high	73 Å²	73	54.7 Å²	54.7	29%	0.286	30%	0.299	S	S	.	.	S	Bend	trans	-86.2	-40.1	177.6	-50.9	-34.8	0	0	0	112.1	T71 D83 K92 D94	T71-Y85 HydrophobicContact CG2-CD1 4.11Å; D83-Y85 HydrophobicContact CB-CD1 4.47Å; D83-Y85 HydrophobicContact CB-CE1 3.92Å; D83-Y85 VanDerWaalsContact OD2-CE1 3.22Å; D83-Y85 WeakPolarHBondContact OD2-CE1 3.42Å; Y85-K92 HydrophobicContact CD2-CB 3.93Å; Y85-K92 HydrophobicContact CD2-CD 3.92Å; Y85-K92 HydrophobicContact CD2-CG 3.78Å; Y85-K92 VanDerWaalsContact CD2-O 3.25Å; Y85-K92 WeakPolarHBondContact CD2-O 3.44Å; Y85-K92 HydrophobicContact CE2-CD 3.86Å; Y85-K92 HydrophobicContact CE2-CG 3.86Å; Y85-D94 HydrophobicContact CE1-CB 4.42Å; Y85-D94 HydrophobicContact CE2-CB 4.35Å
86	A	94.9	Very high	95.7	Very high	45 Å²	45	56.2 Å²	56.2	37%	0.372	31%	0.308	S	S	.	.			trans	-158.9	152.7	175.1	0	0	0	0	0	110.2	A91	A86-A91 HydrophobicContact CB-CB 3.81Å; A86-A91 WeakPolarHBondContact O-CB 3.2Å
87	L	90.3	Very high	95.7	Very high	61 Å²	61	50.9 Å²	50.9	32%	0.319	28%	0.284	S	S	.	.			trans	-100.6	78.1	174.3	-67.2	175.7	0	0	0	110.2	L72 I84 W154 T186 I187	L72-L87 HydrophobicContact CD2-CD1 3.79Å; L72-L87 HydrophobicContact CD2-CG 3.86Å; I84-L87 HydrophobicContact CD1-CD2 4.41Å; I84-L87 HydrophobicContact CG2-CD2 3.74Å; I84-L87 HydrophobicContact CG2-CG 4.08Å; L87-W154 HydrophobicContact CD2-CH2 3.94Å; L87-W154 HydrophobicContact CD2-CZ2 4.26Å; L87-T186 HydrophobicContact CD1-CG2 4.35Å; L87-I187 HydrophobicContact CD1-CD1 4.07Å; L87-I187 HydrophobicContact CD2-CD1 3.84Å; L87-I187 HydrophobicContact CG-CD1 4.45Å
88	S	89.7	Confident	95.7	Very high	62 Å²	62	46.4 Å²	46.4	43%	0.434	25%	0.254	S	S	.	.	S	Bend	trans	-147	157	170.2	69.6	0	0	0	0	110.2	N90 A91	S88-N90 VanDerWaalsContact C-N 3.27Å; S88-N90 PolarHBondContact O-N 2.86Å; S88-A91 WeakPolarHBondContact O-CB 3.4Å; S88-A91 PolarHBondContact O-N 3.31Å; S88-A91 VanDerWaalsContact O-N 3.14Å
89	E	83.5	Confident	95.7	Very high	100 Å²	100	48.9 Å²	48.9	47%	0.467	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-44.7	-175.7	-174.9	-179.9	161.6	0	0	112.8	H158 L194	E89-H158 PolarHBondContact O-CE1 3.24Å; E89-L194 HydrophobicContact CG-CD2 3.8Å; E89-L194 WeakPolarHBondContact OE1-CD2 3.4Å
90	N	87.8	Confident	95.7	Very high	132 Å²	132	53.5 Å²	53.5	71%	0.706	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	12.6	-175.2	-64.6	-53.6	0	0	0	114	S88	S88-N90 VanDerWaalsContact C-N 3.27Å; S88-N90 PolarHBondContact O-N 2.86Å
91	A	91	Very high	95.7	Very high	17 Å²	17	53.4 Å²	53.4	14%	0.14	28%	0.282	C	S	.	.			trans	-60.2	146.3	176.8	0	0	0	0	0	111.1	A86 S88 Q93	A86-A91 HydrophobicContact CB-CB 3.81Å; A86-A91 WeakPolarHBondContact O-CB 3.2Å; S88-A91 WeakPolarHBondContact O-CB 3.4Å; S88-A91 PolarHBondContact O-N 3.31Å; S88-A91 VanDerWaalsContact O-N 3.14Å; A91-Q93 WeakPolarHBondContact O-CG 3.43Å; A91-Q93 PolarHBondContact O-N 3.04Å
92	K	96.1	Very high	95.7	Very high	162 Å²	162	52.9 Å²	52.9	70%	0.704	28%	0.281	S	S	*	.			trans	-57.7	140.6	163.8	-175.1	-171.6	176	-169.9	0	108.2	Y85	Y85-K92 HydrophobicContact CD2-CB 3.93Å; Y85-K92 HydrophobicContact CD2-CD 3.92Å; Y85-K92 HydrophobicContact CD2-CG 3.78Å; Y85-K92 VanDerWaalsContact CD2-O 3.25Å; Y85-K92 WeakPolarHBondContact CD2-O 3.44Å; Y85-K92 HydrophobicContact CE2-CD 3.86Å; Y85-K92 HydrophobicContact CE2-CG 3.86Å
93	Q	97.9	Very high	95.7	Very high	41 Å²	41	58.3 Å²	58.3	19%	0.192	31%	0.31	C	S	.	.			trans	-122.1	149.1	-178.7	-55.9	-178.2	28.7	0	0	110.5	A91 E95 I98 L157	A91-Q93 WeakPolarHBondContact O-CG 3.43Å; A91-Q93 PolarHBondContact O-N 3.04Å; Q93-E95 VanDerWaalsContact C-N 3.27Å; Q93-E95 PolarHBondContact O-N 3.15Å; Q93-I98 HydrophobicContact CB-CD1 4.15Å; Q93-L157 HydrophobicContact CB-CD2 3.92Å
94	D	98.1	Very high	95.7	Very high	28 Å²	28	58.7 Å²	58.7	15%	0.15	31%	0.311	C	S	.	.			trans	-76.8	75.8	173.2	180	15.9	0	0	0	110.7	D83 Y85 A96 G97 I98	D83-D94 HydrophobicContact CB-CB 4.18Å; D83-D94 PolarHBondContact N-OD2 3.43Å; D83-D94 VanDerWaalsContact O-CB 3.25Å; D83-D94 WeakPolarHBondContact O-CB 3.33Å; Y85-D94 HydrophobicContact CE1-CB 4.42Å; Y85-D94 HydrophobicContact CE2-CB 4.35Å; D94-A96 PolarHBondContact O-N 3.23Å; D94-G97 PolarHBondContact O-N 3.42Å; D94-G97 PolarHBondContact OD1-N 3.17Å; D94-G97 WeakPolarHBondContact OD2-CA 3.34Å; D94-I98 WeakPolarHBondContact O-CD1 3.32Å; D94-I98 VanDerWaalsContact O-CG1 3.26Å; D94-I98 WeakPolarHBondContact O-CG1 3.42Å; D94-I98 PolarHBondContact O-N 2.99Å
95	E	98.1	Very high	95.7	Very high	50 Å²	50	58.3 Å²	58.3	23%	0.234	31%	0.309	C	S	.	.	H	α-helix	trans	-57.4	-35.9	-178.8	172.4	174.6	-173.5	0	0	113.2	Q93 K99 L157 K160	Q93-E95 VanDerWaalsContact C-N 3.27Å; Q93-E95 PolarHBondContact O-N 3.15Å; E95-K99 HydrophobicContact CG-CD 4.25Å; E95-K99 WeakPolarHBondContact O-CG 3.46Å; E95-K99 PolarHBondContact O-N 3.2Å; E95-K99 VanDerWaalsContact O-N 3.13Å; E95-K99 VanDerWaalsContact OE1-CE 3.28Å; E95-K99 WeakPolarHBondContact OE1-CE 3.24Å; E95-K99 IonicContact OE1-NZ 2.69Å; E95-K99 PolarHBondContact OE1-NZ 3.44Å; E95-L157 HydrophobicContact CB-CD1 4.07Å; E95-L157 HydrophobicContact CB-CD2 3.96Å; E95-L157 HydrophobicContact CG-CD1 3.74Å; E95-L157 HydrophobicContact CG-CD2 4.39Å; E95-K160 VanDerWaalsContact CD-CE 3.48Å; E95-K160 WeakPolarHBondContact OE1-CE 3.41Å; E95-K160 IonicContact OE1-NZ 3.37Å; E95-K160 PolarHBondContact OE1-NZ 3.5Å; E95-K160 WeakPolarHBondContact OE2-CE 3.48Å; E95-K160 IonicContact OE2-NZ 2.69Å; E95-K160 PolarHBondContact OE2-NZ 3Å
96	A	98.5	Very high	95.8	Very high	71 Å²	71	55.6 Å²	55.6	59%	0.587	30%	0.303	S	S	*	.	H	α-helix	trans	-66.6	-49.3	179.6	0	0	0	0	0	110.4	D94 I98 K99 E100	D94-A96 PolarHBondContact O-N 3.23Å; A96-I98 PolarHBondContact O-N 3.3Å; A96-K99 PolarHBondContact O-N 3.46Å; A96-E100 PolarHBondContact O-N 2.95Å
97	G	98.6	Very high	95.9	Very high	7 Å²	7	55.5 Å²	55.5	7%	0.072	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-39.7	176.3	0	0	0	0	0	113	D94 K99 E100 A101	D94-G97 PolarHBondContact O-N 3.42Å; D94-G97 PolarHBondContact OD1-N 3.17Å; D94-G97 WeakPolarHBondContact OD2-CA 3.34Å; G97-K99 VanDerWaalsContact C-N 3.31Å; G97-K99 PolarHBondContact O-N 2.91Å; G97-E100 PolarHBondContact O-N 2.91Å; G97-A101 WeakPolarHBondContact O-CB 3.4Å; G97-A101 PolarHBondContact O-N 3.16Å
98	I	98.8	Very high	96.3	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.7	-43.1	176.3	-69.3	157.1	0	0	0	110.9	Y82 Q93 D94 A96 S102 Y136 P156 L157	Y82-I98 HydrophobicContact CD1-CB 4.49Å; Y82-I98 HydrophobicContact CD1-CG1 3.7Å; Y82-I98 HydrophobicContact CD2-CD1 4.21Å; Y82-I98 HydrophobicContact CD2-CG1 3.61Å; Y82-I98 HydrophobicContact CE1-CG1 3.86Å; Y82-I98 HydrophobicContact CE2-CD1 4.12Å; Y82-I98 HydrophobicContact CE2-CG1 3.79Å; Y82-I98 HydrophobicContact CG-CG1 3.58Å; Q93-I98 HydrophobicContact CB-CD1 4.15Å; D94-I98 WeakPolarHBondContact O-CD1 3.32Å; D94-I98 VanDerWaalsContact O-CG1 3.26Å; D94-I98 WeakPolarHBondContact O-CG1 3.42Å; D94-I98 PolarHBondContact O-N 2.99Å; A96-I98 PolarHBondContact O-N 3.3Å; I98-S102 WeakPolarHBondContact O-CB 3.5Å; I98-S102 PolarHBondContact O-N 2.9Å; I98-Y136 HydrophobicContact CG2-CD1 3.95Å; I98-Y136 HydrophobicContact CG2-CD2 3.92Å; I98-Y136 HydrophobicContact CG2-CE1 4.38Å; I98-Y136 HydrophobicContact CG2-CE2 4.36Å; I98-Y136 HydrophobicContact CG2-CG 3.7Å; I98-P156 HydrophobicContact CD1-CB 3.84Å; I98-P156 HydrophobicContact CG1-CB 4.44Å; I98-P156 HydrophobicContact CG2-CB 4.4Å; I98-P156 HydrophobicContact CG2-CG 4.1Å; I98-L157 HydrophobicContact CD1-CD1 4.29Å; I98-L157 HydrophobicContact CD1-CD2 4.15Å; I98-L157 HydrophobicContact CD1-CG 4Å; I98-L157 HydrophobicContact CG2-CD1 4.24Å
99	K	98.6	Very high	96.8	Very high	85 Å²	85	50.1 Å²	50.1	37%	0.37	26%	0.26	S	S	.	.	H	α-helix	trans	-65.6	-42.6	176.2	-75	174.3	-173.3	174.8	0	111.9	E95 A96 G97 S102 L103 Y136	E95-K99 HydrophobicContact CG-CD 4.25Å; E95-K99 WeakPolarHBondContact O-CG 3.46Å; E95-K99 PolarHBondContact O-N 3.2Å; E95-K99 VanDerWaalsContact O-N 3.13Å; E95-K99 VanDerWaalsContact OE1-CE 3.28Å; E95-K99 WeakPolarHBondContact OE1-CE 3.24Å; E95-K99 IonicContact OE1-NZ 2.69Å; E95-K99 PolarHBondContact OE1-NZ 3.44Å; A96-K99 PolarHBondContact O-N 3.46Å; G97-K99 VanDerWaalsContact C-N 3.31Å; G97-K99 PolarHBondContact O-N 2.91Å; K99-S102 WeakPolarHBondContact O-CB 3.3Å; K99-S102 PolarHBondContact O-N 3.25Å; K99-L103 WeakPolarHBondContact O-CG 3.42Å; K99-L103 PolarHBondContact O-N 3.41Å; K99-Y136 WeakPolarHBondContact CE-OH 3.07Å; K99-Y136 HydrophobicContact CG-CE1 4.03Å; K99-Y136 VanDerWaalsContact CG-OH 3.3Å; K99-Y136 WeakPolarHBondContact CG-OH 3.3Å
100	E	98.4	Very high	97.5	Very high	126 Å²	126	50 Å²	50	59%	0.589	26%	0.263	S	S	*	.	H	α-helix	trans	-62.5	-47.9	177.5	-173.7	171.2	-168.2	0	0	111.5	A96 G97 S102 L103 E104	A96-E100 PolarHBondContact O-N 2.95Å; G97-E100 PolarHBondContact O-N 2.91Å; E100-S102 VanDerWaalsContact C-N 3.27Å; E100-S102 PolarHBondContact O-N 3.32Å; E100-L103 WeakPolarHBondContact O-CA 3.31Å; E100-L103 WeakPolarHBondContact O-CB 3.37Å; E100-L103 PolarHBondContact O-N 3.45Å; E100-E104 PolarHBondContact O-N 2.88Å
101	A	98.7	Very high	97.9	Very high	3 Å²	3	45.2 Å²	45.2	3%	0.025	24%	0.242	C	C	.	.	H	α-helix	trans	-58.5	-39.2	174.6	0	0	0	0	0	112.9	W81 G97 L103 E104 L105 V133	W81-A101 HydrophobicContact CB-CB 3.82Å; W81-A101 WeakPolarHBondContact O-CB 3.49Å; G97-A101 WeakPolarHBondContact O-CB 3.4Å; G97-A101 PolarHBondContact O-N 3.16Å; A101-L103 VanDerWaalsContact C-N 3.32Å; A101-L103 PolarHBondContact O-N 2.88Å; A101-E104 PolarHBondContact O-N 3.37Å; A101-L105 PolarHBondContact O-N 2.86Å; A101-V133 HydrophobicContact CB-CB 4.47Å; A101-V133 HydrophobicContact CB-CG1 3.81Å; A101-V133 HydrophobicContact CB-CG2 3.72Å
102	S	98.7	Very high	98.3	Very high	8 Å²	8	45 Å²	45	6%	0.056	24%	0.238	C	C	.	.	H	α-helix	trans	-63.1	-38.3	174.6	179.7	0	0	0	0	112.1	I98 K99 E100 G106 N137	I98-S102 WeakPolarHBondContact O-CB 3.5Å; I98-S102 PolarHBondContact O-N 2.9Å; K99-S102 WeakPolarHBondContact O-CB 3.3Å; K99-S102 PolarHBondContact O-N 3.25Å; E100-S102 VanDerWaalsContact C-N 3.27Å; E100-S102 PolarHBondContact O-N 3.32Å; S102-G106 PolarHBondContact O-N 3.03Å; S102-N137 PolarHBondContact O-ND2 3.3Å; S102-N137 VanDerWaalsContact OG-CA 3.26Å; S102-N137 WeakPolarHBondContact OG-CA 3.46Å; S102-N137 VanDerWaalsContact OG-CB 3.3Å; S102-N137 WeakPolarHBondContact OG-CB 3.33Å; S102-N137 PolarHBondContact OG-ND2 3.02Å
103	L	98.1	Very high	98.4	Very high	121 Å²	121	40.5 Å²	40.5	63%	0.634	22%	0.221	S	C	*	.	H	α-helix	trans	-68.3	-40.9	174.4	-68.4	171.7	0	0	0	111.3	K99 E100 A101 L105 G106 K107	K99-L103 WeakPolarHBondContact O-CG 3.42Å; K99-L103 PolarHBondContact O-N 3.41Å; E100-L103 WeakPolarHBondContact O-CA 3.31Å; E100-L103 WeakPolarHBondContact O-CB 3.37Å; E100-L103 PolarHBondContact O-N 3.45Å; A101-L103 VanDerWaalsContact C-N 3.32Å; A101-L103 PolarHBondContact O-N 2.88Å; L103-L105 VanDerWaalsContact C-N 3.35Å; L103-L105 PolarHBondContact O-N 2.88Å; L103-G106 WeakPolarHBondContact O-CA 3.48Å; L103-G106 PolarHBondContact O-N 3.09Å; L103-K107 PolarHBondContact O-N 3.26Å
104	E	98.2	Very high	98.4	Very high	31 Å²	31	47.7 Å²	47.7	15%	0.145	25%	0.252	C	S	.	.	H	α-helix	trans	-58.7	-44.9	174.6	-69.2	-55.1	142.5	0	0	111.9	L18 E100 A101 G106 K107 F108	L18-E104 HydrophobicContact CD1-CB 4.24Å; L18-E104 HydrophobicContact CD1-CG 4.17Å; E100-E104 PolarHBondContact O-N 2.88Å; A101-E104 PolarHBondContact O-N 3.37Å; E104-G106 VanDerWaalsContact C-N 3.3Å; E104-G106 PolarHBondContact O-N 3.49Å; E104-K107 VanDerWaalsContact CD-NZ 3.28Å; E104-K107 PolarHBondContact O-N 3.32Å; E104-K107 WeakPolarHBondContact OE1-CE 3.4Å; E104-K107 IonicContact OE1-NZ 3.1Å; E104-K107 PolarHBondContact OE1-NZ 3.32Å; E104-K107 IonicContact OE2-NZ 3.56Å; E104-K107 PolarHBondContact OE2-NZ 3.09Å; E104-F108 VanDerWaalsContact O-CD2 3.31Å; E104-F108 WeakPolarHBondContact O-CD2 3.35Å
105	L	98.7	Very high	98.3	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-58.3	-43.2	171.7	175	58.1	0	0	0	111.7	I34 L36 A101 L103 K107 F108 V109 I124 A134 N137	I34-L105 HydrophobicContact CB-CD1 4.16Å; I34-L105 HydrophobicContact CG2-CD1 3.5Å; L36-L105 HydrophobicContact CD1-CB 4.3Å; L36-L105 HydrophobicContact CD1-CD1 4.32Å; L36-L105 HydrophobicContact CD1-CD2 3.95Å; L36-L105 HydrophobicContact CD1-CG 4.42Å; L36-L105 HydrophobicContact CG-CD1 4.46Å; A101-L105 PolarHBondContact O-N 2.86Å; L103-L105 VanDerWaalsContact C-N 3.35Å; L103-L105 PolarHBondContact O-N 2.88Å; L105-K107 VanDerWaalsContact C-N 3.28Å; L105-K107 PolarHBondContact O-N 3.03Å; L105-F108 PolarHBondContact O-N 3.22Å; L105-F108 VanDerWaalsContact O-N 3.14Å; L105-V109 PolarHBondContact O-N 2.99Å; L105-I124 HydrophobicContact CD1-CB 4.44Å; L105-I124 HydrophobicContact CD1-CG2 4.04Å; L105-I124 HydrophobicContact CD2-CB 4.19Å; L105-I124 HydrophobicContact CD2-CD1 4.04Å; L105-I124 HydrophobicContact CD2-CG2 4.36Å; L105-I124 HydrophobicContact CG-CG2 4.4Å; L105-A134 HydrophobicContact CD2-CB 4.32Å; L105-N137 HydrophobicContact CD2-CB 3.77Å
106	G	98.4	Very high	98.2	Very high	15 Å²	15	50.2 Å²	50.2	16%	0.155	29%	0.291	C	S	.	.	H	α-helix	trans	-56.3	-38.2	176.7	0	0	0	0	0	113.4	S102 L103 E104 F108 V109 D110	S102-G106 PolarHBondContact O-N 3.03Å; L103-G106 WeakPolarHBondContact O-CA 3.48Å; L103-G106 PolarHBondContact O-N 3.09Å; E104-G106 VanDerWaalsContact C-N 3.3Å; E104-G106 PolarHBondContact O-N 3.49Å; G106-F108 VanDerWaalsContact C-N 3.33Å; G106-F108 PolarHBondContact O-N 3.14Å; G106-V109 WeakPolarHBondContact O-CB 3.16Å; G106-V109 PolarHBondContact O-N 3.45Å; G106-V109 VanDerWaalsContact O-N 3.15Å; G106-D110 PolarHBondContact O-N 3.22Å
107	K	98.3	Very high	98.2	Very high	44 Å²	44	47.3 Å²	47.3	19%	0.191	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-39.1	177	-61.6	174.8	-170	173.5	0	112.4	A14 L17 L103 E104 L105 D110 A111	A14-K107 WeakPolarHBondContact O-CE 3.46Å; A14-K107 PolarHBondContact O-NZ 2.94Å; L17-K107 HydrophobicContact CD2-CB 3.61Å; L103-K107 PolarHBondContact O-N 3.26Å; E104-K107 VanDerWaalsContact CD-NZ 3.28Å; E104-K107 PolarHBondContact O-N 3.32Å; E104-K107 WeakPolarHBondContact OE1-CE 3.4Å; E104-K107 IonicContact OE1-NZ 3.1Å; E104-K107 PolarHBondContact OE1-NZ 3.32Å; E104-K107 IonicContact OE2-NZ 3.56Å; E104-K107 PolarHBondContact OE2-NZ 3.09Å; L105-K107 VanDerWaalsContact C-N 3.28Å; L105-K107 PolarHBondContact O-N 3.03Å; K107-D110 PolarHBondContact O-N 3.42Å; K107-A111 WeakPolarHBondContact O-CB 3.15Å; K107-A111 PolarHBondContact O-N 3.31Å
108	F	98.5	Very high	98.2	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.035	29%	0.286	C	S	.	.	H	α-helix	trans	-67.4	-39	175.3	-73.3	-83	0	0	0	111.8	L17 L18 A20 I34 I61 P63 E104 L105 G106 A111 E112	L17-F108 HydrophobicContact CB-CE1 4Å; L17-F108 HydrophobicContact CB-CZ 4.06Å; L17-F108 HydrophobicContact CD1-CD1 4.09Å; L17-F108 HydrophobicContact CD1-CE1 4.12Å; L17-F108 HydrophobicContact CD2-CD1 4.01Å; L17-F108 HydrophobicContact CD2-CD2 4.26Å; L17-F108 HydrophobicContact CD2-CE1 4.19Å; L17-F108 HydrophobicContact CD2-CE2 4.41Å; L17-F108 HydrophobicContact CD2-CG 4.06Å; L17-F108 HydrophobicContact CD2-CZ 4.39Å; L17-F108 HydrophobicContact CG-CD1 4.47Å; L17-F108 HydrophobicContact CG-CE1 4.34Å; L18-F108 HydrophobicContact CB-CE2 4.23Å; L18-F108 HydrophobicContact CB-CZ 4.09Å; L18-F108 VanDerWaalsContact O-CZ 3.31Å; L18-F108 WeakPolarHBondContact O-CZ 3.11Å; A20-F108 HydrophobicContact CB-CE1 3.91Å; A20-F108 HydrophobicContact CB-CZ 4.24Å; I34-F108 HydrophobicContact CD1-CB 3.83Å; I34-F108 HydrophobicContact CG2-CB 4.19Å; I61-F108 HydrophobicContact CG2-CD1 3.72Å; I61-F108 HydrophobicContact CG2-CE1 3.98Å; P63-F108 HydrophobicContact CB-CD2 4.21Å; P63-F108 HydrophobicContact CB-CE1 4.33Å; P63-F108 HydrophobicContact CB-CE2 3.5Å; P63-F108 HydrophobicContact CB-CZ 3.56Å; P63-F108 HydrophobicContact CG-CD1 4.13Å; P63-F108 HydrophobicContact CG-CD2 3.63Å; P63-F108 HydrophobicContact CG-CE1 3.91Å; P63-F108 HydrophobicContact CG-CE2 3.42Å; P63-F108 VanDerWaalsContact CG-CE2 3.42Å; P63-F108 HydrophobicContact CG-CG 3.99Å; P63-F108 HydrophobicContact CG-CZ 3.55Å; E104-F108 VanDerWaalsContact O-CD2 3.31Å; E104-F108 WeakPolarHBondContact O-CD2 3.35Å; L105-F108 PolarHBondContact O-N 3.22Å; L105-F108 VanDerWaalsContact O-N 3.14Å; G106-F108 VanDerWaalsContact C-N 3.33Å; G106-F108 PolarHBondContact O-N 3.14Å; F108-A111 PolarHBondContact O-N 2.69Å; F108-E112 WeakPolarHBondContact O-CG 3.25Å; F108-E112 PolarHBondContact O-N 3.05Å; F108-E112 VanDerWaalsContact O-N 3.11Å
109	V	98.7	Very high	98.1	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-60.8	-48.8	174.4	174	0	0	0	0	110.4	I34 L105 G106 A111 E112 I113 I119 I122 I124 L143 Y145	I34-V109 HydrophobicContact CD1-CB 4.42Å; I34-V109 HydrophobicContact CD1-CG2 3.71Å; L105-V109 PolarHBondContact O-N 2.99Å; G106-V109 WeakPolarHBondContact O-CB 3.16Å; G106-V109 PolarHBondContact O-N 3.45Å; G106-V109 VanDerWaalsContact O-N 3.15Å; V109-A111 VanDerWaalsContact C-N 3.3Å; V109-A111 PolarHBondContact O-N 3.22Å; V109-E112 PolarHBondContact O-N 3.05Å; V109-E112 VanDerWaalsContact O-N 3.13Å; V109-I113 HydrophobicContact CG1-CD1 3.96Å; V109-I113 HydrophobicContact CG1-CG1 4.49Å; V109-I113 WeakPolarHBondContact O-CG1 3.37Å; V109-I113 PolarHBondContact O-N 3.18Å; V109-I119 HydrophobicContact CG1-CD1 3.95Å; V109-I122 HydrophobicContact CG1-CD1 4.33Å; V109-I122 HydrophobicContact CG2-CG2 4.44Å; V109-I124 HydrophobicContact CG2-CG2 3.71Å; V109-L143 HydrophobicContact CG1-CD1 3.97Å; V109-Y145 HydrophobicContact CB-CE1 4.46Å; V109-Y145 HydrophobicContact CG1-CE1 3.8Å; V109-Y145 HydrophobicContact CG2-CE1 3.8Å
110	D	98.2	Very high	98.1	Very high	97 Å²	97	50 Å²	50	52%	0.519	29%	0.293	S	S	.	.	H	α-helix	trans	-61.8	-38.6	179	-72.8	-20.6	0	0	0	112.2	G106 K107 E112 I113 K114	G106-D110 PolarHBondContact O-N 3.22Å; K107-D110 PolarHBondContact O-N 3.42Å; D110-E112 VanDerWaalsContact C-N 3.33Å; D110-E112 PolarHBondContact O-N 2.64Å; D110-I113 PolarHBondContact O-N 3.41Å; D110-K114 VanDerWaalsContact O-CB 3.3Å; D110-K114 WeakPolarHBondContact O-CB 3.29Å; D110-K114 PolarHBondContact O-N 3.02Å
111	A	98	Very high	98.1	Very high	33 Å²	33	45.3 Å²	45.3	27%	0.273	27%	0.272	S	S	.	.	H	α-helix	trans	-62	-39.8	175	0	0	0	0	0	112.1	L17 K107 F108 V109 K114 A115	L17-A111 HydrophobicContact CD1-CB 3.9Å; L17-A111 HydrophobicContact CD2-CB 4.47Å; K107-A111 WeakPolarHBondContact O-CB 3.15Å; K107-A111 PolarHBondContact O-N 3.31Å; F108-A111 PolarHBondContact O-N 2.69Å; V109-A111 VanDerWaalsContact C-N 3.3Å; V109-A111 PolarHBondContact O-N 3.22Å; A111-K114 PolarHBondContact O-N 2.91Å; A111-A115 WeakPolarHBondContact O-CB 3.37Å; A111-A115 PolarHBondContact O-N 3.03Å
112	E	98.3	Very high	98.1	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.056	27%	0.271	C	S	.	.	H	α-helix	trans	-70.7	-40.4	177.1	-70.5	-60	106.9	0	0	113	H29 T32 I34 K59 I61 F108 V109 D110 K114 A115 G116 V117 I122	H29-E112 IonicContact CE1-OE2 3.66Å; T32-E112 WeakPolarHBondContact CB-OE2 3.3Å; T32-E112 HydrophobicContact CG2-CG 3.92Å; T32-E112 WeakPolarHBondContact CG2-OE2 3.34Å; T32-E112 PolarHBondContact OG1-OE2 3.18Å; I34-E112 HydrophobicContact CD1-CG 4.44Å; K59-E112 VanDerWaalsContact CE-CD 3.41Å; K59-E112 WeakPolarHBondContact CE-OE1 3.44Å; K59-E112 WeakPolarHBondContact CE-OE2 3.12Å; K59-E112 IonicContact NZ-OE1 2.75Å; K59-E112 PolarHBondContact NZ-OE1 2.86Å; K59-E112 IonicContact NZ-OE2 3.24Å; K59-E112 PolarHBondContact NZ-OE2 2.69Å; I61-E112 HydrophobicContact CD1-CG 3.91Å; F108-E112 WeakPolarHBondContact O-CG 3.25Å; F108-E112 PolarHBondContact O-N 3.05Å; F108-E112 VanDerWaalsContact O-N 3.11Å; V109-E112 PolarHBondContact O-N 3.05Å; V109-E112 VanDerWaalsContact O-N 3.13Å; D110-E112 VanDerWaalsContact C-N 3.33Å; D110-E112 PolarHBondContact O-N 2.64Å; E112-K114 VanDerWaalsContact C-N 3.31Å; E112-K114 PolarHBondContact O-N 3.07Å; E112-A115 CarbonylContact O-C 3.23Å; E112-A115 PolarHBondContact O-N 2.91Å; E112-A115 VanDerWaalsContact O-N 3.16Å; E112-G116 PolarHBondContact O-N 2.88Å; E112-V117 HydrophobicContact CB-CB 4.4Å; E112-V117 HydrophobicContact CB-CG2 4.45Å; E112-V117 PolarHBondContact O-N 2.99Å; E112-I122 HydrophobicContact CB-CD1 3.72Å; E112-I122 HydrophobicContact CB-CG1 4.4Å
113	I	98.1	Very high	98.1	Very high	67 Å²	67	44.8 Å²	44.8	34%	0.344	27%	0.268	S	S	.	.	H	α-helix	trans	-59.6	-46.2	172.8	-66	169.3	0	0	0	109.7	V109 D110 A115 G116 I119 I122	V109-I113 HydrophobicContact CG1-CD1 3.96Å; V109-I113 HydrophobicContact CG1-CG1 4.49Å; V109-I113 WeakPolarHBondContact O-CG1 3.37Å; V109-I113 PolarHBondContact O-N 3.18Å; D110-I113 PolarHBondContact O-N 3.41Å; I113-A115 PolarHBondContact O-N 3.31Å; I113-G116 WeakPolarHBondContact O-CA 3.35Å; I113-G116 PolarHBondContact O-N 2.95Å; I113-I119 HydrophobicContact CD1-CD1 4.21Å; I113-I122 HydrophobicContact CG1-CD1 3.76Å
114	K	97.5	Very high	98.2	Very high	192 Å²	192	39 Å²	39	84%	0.835	24%	0.238	S	C	*	.	H	α-helix	trans	-63.9	-31	177.4	-173.8	178.2	178.5	-178.3	0	112.5	D110 A111 E112 G116	D110-K114 VanDerWaalsContact O-CB 3.3Å; D110-K114 WeakPolarHBondContact O-CB 3.29Å; D110-K114 PolarHBondContact O-N 3.02Å; A111-K114 PolarHBondContact O-N 2.91Å; E112-K114 VanDerWaalsContact C-N 3.31Å; E112-K114 PolarHBondContact O-N 3.07Å; K114-G116 PolarHBondContact O-N 2.91Å
115	A	96.5	Very high	98.2	Very high	72 Å²	72	37.5 Å²	37.5	60%	0.595	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-3.5	172.7	0	0	0	0	0	113.6	A111 E112 I113	A111-A115 WeakPolarHBondContact O-CB 3.37Å; A111-A115 PolarHBondContact O-N 3.03Å; E112-A115 CarbonylContact O-C 3.23Å; E112-A115 PolarHBondContact O-N 2.91Å; E112-A115 VanDerWaalsContact O-N 3.16Å; I113-A115 PolarHBondContact O-N 3.31Å
116	G	96.9	Very high	98.2	Very high	60 Å²	60	37.4 Å²	37.4	62%	0.619	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.3	9.1	173.9	0	0	0	0	0	115	E112 I113 K114 P118	E112-G116 PolarHBondContact O-N 2.88Å; I113-G116 WeakPolarHBondContact O-CA 3.35Å; I113-G116 PolarHBondContact O-N 2.95Å; K114-G116 PolarHBondContact O-N 2.91Å; G116-P118 WeakPolarHBondContact O-CD 2.94Å
117	V	97.9	Very high	98.2	Very high	9 Å²	9	37.5 Å²	37.5	6%	0.055	23%	0.227	C	C	.	.			trans	-77.9	120.7	173.4	-172.1	0	0	0	0	108.8	H29 E112 N121 I122	H29-V117 WeakPolarHBondContact CE1-CG2 3.34Å; E112-V117 HydrophobicContact CB-CB 4.4Å; E112-V117 HydrophobicContact CB-CG2 4.45Å; E112-V117 PolarHBondContact O-N 2.99Å; V117-N121 HydrophobicContact CG1-CB 4.14Å; V117-I122 HydrophobicContact CB-CD1 4.41Å; V117-I122 HydrophobicContact CB-CG1 4.26Å; V117-I122 HydrophobicContact CG1-CD1 4.38Å; V117-I122 HydrophobicContact CG1-CG1 3.71Å
118	P	97.8	Very high	98.2	Very high	75 Å²	75	35.9 Å²	35.9	49%	0.487	22%	0.221	S	C	.	.			trans	-60	142.1	175.5	-22.6	34	0	0	0	111.2	G116 G120 N121	G116-P118 WeakPolarHBondContact O-CD 2.94Å; P118-G120 PolarHBondContact O-N 3.07Å; P118-N121 WeakPolarHBondContact O-CA 3.24Å; P118-N121 WeakPolarHBondContact O-CB 3.44Å; P118-N121 PolarHBondContact O-N 2.85Å
119	I	98.1	Very high	98.2	Very high	44 Å²	44	35.5 Å²	35.5	23%	0.226	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-56.6	-35.5	-179.1	-175.4	55	0	0	0	113.3	V109 I113 N121 I122 L143 Q144 Y145 G146	V109-I119 HydrophobicContact CG1-CD1 3.95Å; I113-I119 HydrophobicContact CD1-CD1 4.21Å; I119-N121 PolarHBondContact O-N 3.49Å; I119-N121 VanDerWaalsContact O-N 3.12Å; I119-I122 HydrophobicContact CD1-CB 4.4Å; I119-I122 HydrophobicContact CD1-CD1 4.29Å; I119-I122 PolarHBondContact O-N 3.2Å; I119-L143 HydrophobicContact CD1-CB 4.01Å; I119-L143 HydrophobicContact CD1-CD1 4.14Å; I119-L143 HydrophobicContact CD1-CG 4.48Å; I119-L143 HydrophobicContact CG1-CB 3.99Å; I119-L143 HydrophobicContact CG1-CD2 4.39Å; I119-Q144 CarbonylContact C-O 3.57Å; I119-Y145 HydrophobicContact CD1-CD1 3.64Å; I119-Y145 HydrophobicContact CD1-CE1 3.75Å; I119-Y145 HydrophobicContact CD1-CG 4.47Å; I119-G146 PolarHBondContact O-N 2.86Å
120	G	98	Very high	98.2	Very high	29 Å²	29	35.4 Å²	35.4	30%	0.299	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-67.1	-7.7	174.5	0	0	0	0	0	114.7	P118 Q144 G146	P118-G120 PolarHBondContact O-N 3.07Å; G120-Q144 WeakPolarHBondContact CA-O 3.44Å; G120-Q144 PolarHBondContact N-O 2.9Å; G120-G146 WeakPolarHBondContact O-CA 3.27Å
121	N	98.5	Very high	98.3	Very high	28 Å²	28	30.8 Å²	30.8	15%	0.15	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-111.1	8	175.2	-65.5	23.3	0	0	0	112.1	S30 A31 T32 V117 P118 I119 I235	S30-N121 WeakPolarHBondContact O-CB 3.36Å; S30-N121 PolarHBondContact O-ND2 3.46Å; A31-N121 CarbonylContact C-O 3.59Å; A31-N121 VanDerWaalsContact CA-O 3.24Å; A31-N121 WeakPolarHBondContact CA-O 2.85Å; A31-N121 HydrophobicContact CB-CB 4.17Å; A31-N121 WeakPolarHBondContact CB-O 3.46Å; T32-N121 PolarHBondContact N-O 3.35Å; V117-N121 HydrophobicContact CG1-CB 4.14Å; P118-N121 WeakPolarHBondContact O-CA 3.24Å; P118-N121 WeakPolarHBondContact O-CB 3.44Å; P118-N121 PolarHBondContact O-N 2.85Å; I119-N121 PolarHBondContact O-N 3.49Å; I119-N121 VanDerWaalsContact O-N 3.12Å; N121-I235 HydrophobicContact CB-CG2 4.06Å
122	I	98.8	Very high	98.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.7	173.2	-59.4	173.7	0	0	0	108.4	T32 I34 V109 E112 I113 V117 I119 I124 Y145 G146	T32-I122 WeakPolarHBondContact O-CA 3.44Å; I34-I122 HydrophobicContact CD1-CG2 4.11Å; V109-I122 HydrophobicContact CG1-CD1 4.33Å; V109-I122 HydrophobicContact CG2-CG2 4.44Å; E112-I122 HydrophobicContact CB-CD1 3.72Å; E112-I122 HydrophobicContact CB-CG1 4.4Å; I113-I122 HydrophobicContact CG1-CD1 3.76Å; V117-I122 HydrophobicContact CB-CD1 4.41Å; V117-I122 HydrophobicContact CB-CG1 4.26Å; V117-I122 HydrophobicContact CG1-CD1 4.38Å; V117-I122 HydrophobicContact CG1-CG1 3.71Å; I119-I122 HydrophobicContact CD1-CB 4.4Å; I119-I122 HydrophobicContact CD1-CD1 4.29Å; I119-I122 PolarHBondContact O-N 3.2Å; I122-I124 HydrophobicContact CG2-CG2 4.45Å; I122-Y145 HydrophobicContact CG2-CD1 4.42Å; I122-G146 PolarHBondContact O-N 2.89Å
123	V	98.9	Very high	98.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	131.1	170.2	-178	0	0	0	0	108.1	T32 L33 I34 F58 G147 V149 L231 I235	T32-V123 PolarHBondContact O-N 3.16Å; L33-V123 WeakPolarHBondContact CA-O 3.4Å; L33-V123 HydrophobicContact CD1-CB 3.81Å; L33-V123 HydrophobicContact CD1-CG1 3.57Å; I34-V123 PolarHBondContact N-O 2.91Å; F58-V123 HydrophobicContact CE1-CG2 4.13Å; V123-G147 WeakPolarHBondContact CA-O 3.38Å; V123-G147 WeakPolarHBondContact CG1-O 3.45Å; V123-V149 HydrophobicContact CG1-CG2 3.76Å; V123-L231 HydrophobicContact CB-CD2 4.29Å; V123-L231 HydrophobicContact CG1-CD2 4.11Å; V123-L231 HydrophobicContact CG2-CD2 3.77Å; V123-I235 HydrophobicContact CG2-CD1 3.05Å; V123-I235 HydrophobicContact CG2-CG1 4.49Å
124	I	98.9	Very high	98.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	149.1	168.3	58.4	167.3	0	0	0	109.5	I34 L105 V109 I122 N137 A138 Y145 G147 V148 V149	I34-I124 HydrophobicContact CB-CG2 4.47Å; I34-I124 CarbonylContact O-C 3.56Å; I34-I124 WeakPolarHBondContact O-CA 3.48Å; L105-I124 HydrophobicContact CD1-CB 4.44Å; L105-I124 HydrophobicContact CD1-CG2 4.04Å; L105-I124 HydrophobicContact CD2-CB 4.19Å; L105-I124 HydrophobicContact CD2-CD1 4.04Å; L105-I124 HydrophobicContact CD2-CG2 4.36Å; L105-I124 HydrophobicContact CG-CG2 4.4Å; V109-I124 HydrophobicContact CG2-CG2 3.71Å; I122-I124 HydrophobicContact CG2-CG2 4.45Å; I124-N137 HydrophobicContact CD1-CB 4.26Å; I124-N137 WeakPolarHBondContact CD1-OD1 3.38Å; I124-A138 HydrophobicContact CD1-CB 4.04Å; I124-Y145 HydrophobicContact CD1-CD2 3.97Å; I124-Y145 HydrophobicContact CD1-CE1 4.16Å; I124-Y145 HydrophobicContact CD1-CE2 3.54Å; I124-Y145 HydrophobicContact CD1-CG 4.43Å; I124-Y145 HydrophobicContact CG1-CD1 4.27Å; I124-Y145 HydrophobicContact CG1-CD2 4.27Å; I124-Y145 HydrophobicContact CG1-CE1 4.27Å; I124-Y145 HydrophobicContact CG1-CE2 4.25Å; I124-Y145 HydrophobicContact CG1-CG 4.27Å; I124-Y145 HydrophobicContact CG2-CD1 4.13Å; I124-Y145 HydrophobicContact CG2-CE1 3.71Å; I124-G147 PolarHBondContact N-O 3.41Å; I124-V148 HydrophobicContact CG1-CG2 4.34Å; I124-V148 CarbonylContact O-C 3.52Å; I124-V148 VanDerWaalsContact O-CA 3.27Å; I124-V148 WeakPolarHBondContact O-CA 3.39Å; I124-V149 PolarHBondContact O-N 2.8Å
125	G	98.9	Very high	98.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.6	-173.2	176.4	0	0	0	0	0	113.5	I34 F35 L36 A134 V149	I34-G125 PolarHBondContact O-N 2.96Å; F35-G125 CarbonylContact C-O 3.56Å; F35-G125 WeakPolarHBondContact CA-O 3.34Å; L36-G125 PolarHBondContact N-O 2.97Å; G125-A134 VanDerWaalsContact CA-CB 3.49Å; G125-V149 CarbonylContact C-O 3.59Å; G125-V149 WeakPolarHBondContact CA-O 3.35Å
126	G	98.9	Very high	98.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.9	178	173.7	0	0	0	0	0	113.5	L36 G131 V149 F151	L36-G126 CarbonylContact O-C 3.59Å; L36-G126 WeakPolarHBondContact O-CA 3.37Å; G126-G131 VanDerWaalsContact C-CA 3.43Å; G126-G131 VanDerWaalsContact C-N 3.3Å; G126-G131 WeakPolarHBondContact O-CA 3.04Å; G126-V149 PolarHBondContact N-O 2.9Å; G126-F151 PolarHBondContact O-N 3.43Å
127	F	98.8	Very high	98.6	Very high	16 Å²	16	11.3 Å²	11.3	7%	0.07	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	138.6	176.1	173.1	-98.9	0	0	0	110.7	F35 L36 G38 W46 Q129 G130 G131 F151 H217	F35-F127 HydrophobicContact CE1-CB 3.89Å; F35-F127 HydrophobicContact CZ-CB 4.08Å; L36-F127 PolarHBondContact O-N 3.26Å; G38-F127 WeakPolarHBondContact CA-O 3.39Å; G38-F127 PolarHBondContact N-O 2.98Å; W46-F127 HydrophobicContact CD2-CB 4.37Å; W46-F127 AromaticContact CE2-CG 3.93Å; W46-F127 HydrophobicContact CH2-CB 3.55Å; W46-F127 HydrophobicContact CH2-CD1 4.38Å; W46-F127 AromaticContact CH2-CD2 3.55Å; W46-F127 HydrophobicContact CH2-CD2 3.55Å; W46-F127 HydrophobicContact CH2-CE2 4.32Å; W46-F127 AromaticContact CH2-CG 3.58Å; W46-F127 HydrophobicContact CH2-CG 3.58Å; W46-F127 HydrophobicContact CZ2-CB 3.19Å; W46-F127 AromaticContact CZ2-CD1 3.5Å; W46-F127 HydrophobicContact CZ2-CD1 3.5Å; W46-F127 AromaticContact CZ2-CD2 3.52Å; W46-F127 HydrophobicContact CZ2-CD2 3.52Å; W46-F127 HydrophobicContact CZ2-CE1 4.21Å; W46-F127 HydrophobicContact CZ2-CE2 4.22Å; W46-F127 AromaticContact CZ2-CG 3.1Å; W46-F127 HydrophobicContact CZ2-CG 3.1Å; W46-F127 HydrophobicContact CZ3-CB 4.28Å; F127-Q129 PolarHBondContact O-N 3.22Å; F127-G130 PolarHBondContact O-N 2.92Å; F127-G131 PolarHBondContact O-N 3.19Å; F127-F151 CarbonylContact C-O 3.53Å; F127-F151 WeakPolarHBondContact CA-O 3.4Å; F127-F151 HydrophobicContact CB-CB 4.38Å; F127-F151 HydrophobicContact CD2-CB 3.91Å; F127-H217 AromaticContact CE1-CD2 3.9Å; F127-H217 AromaticContact CE1-NE2 3.59Å; F127-H217 AromaticContact CZ-CD2 3.62Å; F127-H217 AromaticContact CZ-CE1 3.76Å; F127-H217 AromaticContact CZ-CG 3.91Å; F127-H217 AromaticContact CZ-ND1 3.99Å; F127-H217 AromaticContact CZ-NE2 3.55Å
128	S	98.5	Very high	98.7	Very high	10 Å²	10	10.9 Å²	10.9	7%	0.07	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	-122.3	175.2	-170.9	0	0	0	0	111	G130 G131 S132 F151 S152 C153 H217	S128-G130 VanDerWaalsContact C-N 3.25Å; S128-G130 PolarHBondContact O-N 3.21Å; S128-G131 PolarHBondContact O-N 2.79Å; S128-G131 VanDerWaalsContact O-N 3.07Å; S128-S132 PolarHBondContact O-N 3.37Å; S128-S132 PolarHBondContact O-OG 2.95Å; S128-F151 PolarHBondContact N-O 2.84Å; S128-S152 WeakPolarHBondContact CA-O 3.39Å; S128-C153 WeakPolarHBondContact O-CB 3.31Å; S128-H217 VanDerWaalsContact CB-CE1 3.46Å; S128-H217 WeakPolarHBondContact CB-CE1 3.39Å; S128-H217 VanDerWaalsContact CB-NE2 3.27Å; S128-H217 WeakPolarHBondContact CB-NE2 3.49Å; S128-H217 PolarHBondContact OG-CE1 3.21Å; S128-H217 VanDerWaalsContact OG-CE1 3.22Å; S128-H217 PolarHBondContact OG-NE2 3.13Å
129	Q	98.6	Very high	98.7	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-50.7	-41.7	175.3	-168.6	-177.1	55.6	0	0	113.5	W81 Y82 I84 F127 S132 V133	W81-Q129 HydrophobicContact CB-CG 4.27Å; Y82-Q129 HydrophobicContact CD1-CG 4.03Å; Y82-Q129 HydrophobicContact CE1-CG 3.45Å; Y82-Q129 VanDerWaalsContact CE1-CG 3.45Å; Y82-Q129 HydrophobicContact CE2-CG 4.34Å; Y82-Q129 PolarHBondContact O-NE2 3.44Å; I84-Q129 HydrophobicContact CD1-CG 4.3Å; F127-Q129 PolarHBondContact O-N 3.22Å; Q129-S132 WeakPolarHBondContact O-CB 3.45Å; Q129-S132 PolarHBondContact O-N 3.3Å; Q129-V133 WeakPolarHBondContact O-CG2 3.47Å; Q129-V133 PolarHBondContact O-N 3.47Å; Q129-V133 VanDerWaalsContact O-N 3.14Å
130	G	98.8	Very high	98.7	Very high	0 Å²	0	7 Å²	7	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-67.1	-36.7	179	0	0	0	0	0	113.2	L36 H37 F127 S128 S132 V133 A134	L36-G130 VanDerWaalsContact CB-CA 3.45Å; H37-G130 WeakPolarHBondContact O-CA 3.47Å; H37-G130 PolarHBondContact O-N 3.07Å; F127-G130 PolarHBondContact O-N 2.92Å; S128-G130 VanDerWaalsContact C-N 3.25Å; S128-G130 PolarHBondContact O-N 3.21Å; G130-S132 VanDerWaalsContact C-N 3.32Å; G130-V133 PolarHBondContact O-N 3.21Å; G130-A134 PolarHBondContact O-N 2.84Å
131	G	98.8	Very high	98.7	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-65	-37.9	173.6	0	0	0	0	0	111.8	G126 F127 S128 V133 A134 L135	G126-G131 VanDerWaalsContact C-CA 3.43Å; G126-G131 VanDerWaalsContact C-N 3.3Å; G126-G131 WeakPolarHBondContact O-CA 3.04Å; F127-G131 PolarHBondContact O-N 3.19Å; S128-G131 PolarHBondContact O-N 2.79Å; S128-G131 VanDerWaalsContact O-N 3.07Å; G131-V133 VanDerWaalsContact C-N 3.35Å; G131-V133 PolarHBondContact O-N 3.03Å; G131-A134 PolarHBondContact O-N 3.12Å; G131-L135 WeakPolarHBondContact O-CG 3.47Å; G131-L135 PolarHBondContact O-N 3.27Å
132	S	98.7	Very high	98.7	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.4	-42.2	173.9	-57.9	0	0	0	0	112.1	Y82 S128 Q129 G130 Y136 W154 P156	Y82-S132 WeakPolarHBondContact OH-CB 3.5Å; S128-S132 PolarHBondContact O-N 3.37Å; S128-S132 PolarHBondContact O-OG 2.95Å; Q129-S132 WeakPolarHBondContact O-CB 3.45Å; Q129-S132 PolarHBondContact O-N 3.3Å; G130-S132 VanDerWaalsContact C-N 3.32Å; S132-Y136 PolarHBondContact O-N 3.47Å; S132-Y136 VanDerWaalsContact O-N 3.11Å; S132-W154 VanDerWaalsContact CA-O 3.31Å; S132-W154 WeakPolarHBondContact CA-O 3.47Å; S132-W154 WeakPolarHBondContact CB-O 3.3Å; S132-W154 VanDerWaalsContact OG-CD2 3.22Å; S132-W154 VanDerWaalsContact OG-CE3 3.31Å; S132-W154 PolarHBondContact OG-N 2.8Å; S132-W154 PolarHBondContact OG-O 2.87Å; S132-P156 WeakPolarHBondContact O-CD 3.09Å; S132-P156 VanDerWaalsContact O-CG 3.3Å; S132-P156 WeakPolarHBondContact O-CG 3.26Å
133	V	98.9	Very high	98.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.4	-46.2	174.1	177.4	0	0	0	0	111.4	L36 W81 Y82 A101 Q129 G130 G131 L135 Y136 N137	L36-V133 HydrophobicContact CD1-CB 3.73Å; L36-V133 HydrophobicContact CD1-CG1 3.62Å; W81-V133 HydrophobicContact CB-CG2 3.76Å; W81-V133 HydrophobicContact CG-CG2 4.05Å; Y82-V133 HydrophobicContact CD1-CG2 3.86Å; Y82-V133 HydrophobicContact CE1-CG2 3.66Å; A101-V133 HydrophobicContact CB-CB 4.47Å; A101-V133 HydrophobicContact CB-CG1 3.81Å; A101-V133 HydrophobicContact CB-CG2 3.72Å; Q129-V133 WeakPolarHBondContact O-CG2 3.47Å; Q129-V133 PolarHBondContact O-N 3.47Å; Q129-V133 VanDerWaalsContact O-N 3.14Å; G130-V133 PolarHBondContact O-N 3.21Å; G131-V133 VanDerWaalsContact C-N 3.35Å; G131-V133 PolarHBondContact O-N 3.03Å; V133-L135 VanDerWaalsContact C-N 3.33Å; V133-L135 PolarHBondContact O-N 3.42Å; V133-Y136 PolarHBondContact O-N 3.22Å; V133-N137 WeakPolarHBondContact O-CB 3.34Å; V133-N137 PolarHBondContact O-N 3.33Å
134	A	98.9	Very high	98.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.2	-41.6	-179.4	0	0	0	0	0	112.2	L105 G125 G130 G131 N137 A138	L105-A134 HydrophobicContact CD2-CB 4.32Å; G125-A134 VanDerWaalsContact CA-CB 3.49Å; G130-A134 PolarHBondContact O-N 2.84Å; G131-A134 PolarHBondContact O-N 3.12Å; A134-N137 PolarHBondContact O-N 3.05Å; A134-A138 WeakPolarHBondContact O-CB 3.41Å; A134-A138 PolarHBondContact O-N 3.32Å
135	L	98.8	Very high	98.6	Very high	3 Å²	3	16.7 Å²	16.7	2%	0.016	9%	0.092	C	C	.	.	H	α-helix	trans	-61	-48.3	173.6	-75.7	171.3	0	0	0	111.8	G131 V133 N137 A138 L139 V148 A150 L155 V176 T195 L199	G131-L135 WeakPolarHBondContact O-CG 3.47Å; G131-L135 PolarHBondContact O-N 3.27Å; V133-L135 VanDerWaalsContact C-N 3.33Å; V133-L135 PolarHBondContact O-N 3.42Å; L135-N137 PolarHBondContact O-N 3.49Å; L135-A138 PolarHBondContact O-N 3.12Å; L135-L139 WeakPolarHBondContact O-CB 3.4Å; L135-L139 WeakPolarHBondContact O-CD1 3.38Å; L135-L139 WeakPolarHBondContact O-CG 3.48Å; L135-L139 PolarHBondContact O-N 3.38Å; L135-V148 HydrophobicContact CD2-CG1 4.17Å; L135-A150 HydrophobicContact CD1-CB 4.09Å; L135-A150 HydrophobicContact CD2-CB 4.11Å; L135-A150 HydrophobicContact CG-CB 4.07Å; L135-L155 HydrophobicContact CB-CD1 4.38Å; L135-V176 HydrophobicContact CD2-CG1 4.26Å; L135-T195 HydrophobicContact CD1-CG2 3.84Å; L135-L199 HydrophobicContact CD2-CD1 4.41Å
136	Y	98.8	Very high	98.5	Very high	13 Å²	13	17 Å²	17	5%	0.051	10%	0.096	C	C	.	.	H	α-helix	trans	-61.1	-45.5	178.5	-179.3	-88.9	0	0	0	111.9	I98 K99 S132 V133 L139 T140 L157 F161	I98-Y136 HydrophobicContact CG2-CD1 3.95Å; I98-Y136 HydrophobicContact CG2-CD2 3.92Å; I98-Y136 HydrophobicContact CG2-CE1 4.38Å; I98-Y136 HydrophobicContact CG2-CE2 4.36Å; I98-Y136 HydrophobicContact CG2-CG 3.7Å; K99-Y136 WeakPolarHBondContact CE-OH 3.07Å; K99-Y136 HydrophobicContact CG-CE1 4.03Å; K99-Y136 VanDerWaalsContact CG-OH 3.3Å; K99-Y136 WeakPolarHBondContact CG-OH 3.3Å; S132-Y136 PolarHBondContact O-N 3.47Å; S132-Y136 VanDerWaalsContact O-N 3.11Å; V133-Y136 PolarHBondContact O-N 3.22Å; Y136-L139 PolarHBondContact O-N 3.44Å; Y136-T140 HydrophobicContact CD2-CG2 4.37Å; Y136-T140 HydrophobicContact CE1-CG2 4.1Å; Y136-T140 HydrophobicContact CE2-CG2 3.94Å; Y136-T140 WeakPolarHBondContact O-CB 3.39Å; Y136-T140 WeakPolarHBondContact O-CG2 3.37Å; Y136-T140 PolarHBondContact O-N 3.08Å; Y136-T140 PolarHBondContact O-OG1 3.14Å; Y136-L157 HydrophobicContact CD2-CD1 4.21Å; Y136-L157 HydrophobicContact CE2-CD1 3.72Å; Y136-F161 AromaticContact CD2-CE2 3.92Å; Y136-F161 HydrophobicContact CD2-CE2 3.92Å; Y136-F161 HydrophobicContact CD2-CZ 4Å; Y136-F161 HydrophobicContact CE2-CE2 4.27Å; Y136-F161 HydrophobicContact CE2-CZ 4.23Å
137	N	98.8	Very high	98.5	Very high	10 Å²	10	17 Å²	17	5%	0.053	10%	0.096	C	C	.	.	H	α-helix	trans	-58.7	-51.4	177.4	178.8	-75.4	0	0	0	111	S102 L105 I124 V133 A134 L135 L139 T140 S141 Y145	S102-N137 PolarHBondContact O-ND2 3.3Å; S102-N137 VanDerWaalsContact OG-CA 3.26Å; S102-N137 WeakPolarHBondContact OG-CA 3.46Å; S102-N137 VanDerWaalsContact OG-CB 3.3Å; S102-N137 WeakPolarHBondContact OG-CB 3.33Å; S102-N137 PolarHBondContact OG-ND2 3.02Å; L105-N137 HydrophobicContact CD2-CB 3.77Å; I124-N137 HydrophobicContact CD1-CB 4.26Å; I124-N137 WeakPolarHBondContact CD1-OD1 3.38Å; V133-N137 WeakPolarHBondContact O-CB 3.34Å; V133-N137 PolarHBondContact O-N 3.33Å; A134-N137 PolarHBondContact O-N 3.05Å; L135-N137 PolarHBondContact O-N 3.49Å; N137-L139 PolarHBondContact O-N 3.12Å; N137-T140 PolarHBondContact O-N 3.43Å; N137-T140 PolarHBondContact O-OG1 3.14Å; N137-S141 WeakPolarHBondContact O-CB 3.27Å; N137-S141 PolarHBondContact O-N 3.31Å; N137-Y145 PolarHBondContact OD1-OH 2.9Å
138	A	98.7	Very high	98.5	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.008	9%	0.092	C	C	.	.	H	α-helix	trans	-56.8	-50.6	179.2	0	0	0	0	0	111.4	I124 A134 L135 T140 S141 Y145 V148 M170	I124-A138 HydrophobicContact CD1-CB 4.04Å; A134-A138 WeakPolarHBondContact O-CB 3.41Å; A134-A138 PolarHBondContact O-N 3.32Å; L135-A138 PolarHBondContact O-N 3.12Å; A138-T140 VanDerWaalsContact C-N 3.25Å; A138-T140 PolarHBondContact O-N 3.01Å; A138-S141 PolarHBondContact O-N 3Å; A138-Y145 HydrophobicContact CB-CD2 4.5Å; A138-V148 HydrophobicContact CB-CG1 4.3Å; A138-V148 HydrophobicContact CB-CG2 3.5Å; A138-V148 VanDerWaalsContact CB-CG2 3.5Å; A138-M170 HydrophobicContact CB-SD 3.86Å; A138-M170 VanDerWaalsContact O-CB 3.23Å; A138-M170 WeakPolarHBondContact O-CB 3.2Å; A138-M170 WeakPolarHBondContact O-CG 3.3Å
139	L	98.4	Very high	98.5	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-65.2	-27.3	-175.2	-69.5	169.5	0	0	0	113.7	L135 Y136 N137 L155 F161 L168 T169 M170 L199 F202 L204	L135-L139 WeakPolarHBondContact O-CB 3.4Å; L135-L139 WeakPolarHBondContact O-CD1 3.38Å; L135-L139 WeakPolarHBondContact O-CG 3.48Å; L135-L139 PolarHBondContact O-N 3.38Å; Y136-L139 PolarHBondContact O-N 3.44Å; N137-L139 PolarHBondContact O-N 3.12Å; L139-L155 HydrophobicContact CD1-CD1 3.29Å; L139-L155 HydrophobicContact CD1-CD2 3.88Å; L139-L155 HydrophobicContact CD1-CG 4.23Å; L139-F161 HydrophobicContact CB-CE1 3.59Å; L139-F161 HydrophobicContact CB-CZ 3.63Å; L139-F161 HydrophobicContact CD1-CE1 4.35Å; L139-F161 HydrophobicContact CD1-CE2 4.37Å; L139-F161 HydrophobicContact CD1-CZ 4.08Å; L139-L168 HydrophobicContact CD2-CD1 3.76Å; L139-L168 CarbonylContact O-C 3.52Å; L139-L168 WeakPolarHBondContact O-CA 3.35Å; L139-T169 PolarHBondContact O-N 3.49Å; L139-M170 HydrophobicContact CD2-SD 3.8Å; L139-M170 HydrophobicContact CG-SD 4.32Å; L139-M170 PolarHBondContact O-N 2.84Å; L139-L199 HydrophobicContact CD1-CD2 3.97Å; L139-L199 HydrophobicContact CD2-CD2 3.73Å; L139-L199 HydrophobicContact CG-CD2 4.34Å; L139-F202 HydrophobicContact CD2-CD2 4.44Å; L139-L204 HydrophobicContact CD2-CD1 3.65Å
140	T	98.3	Very high	98.5	Very high	37 Å²	37	15.9 Å²	15.9	23%	0.227	9%	0.09	C	C	.	.	H	α-helix	trans	-102.2	6.5	-180	59.8	0	0	0	0	113.9	Y136 N137 A138 F161 L167 T169	Y136-T140 HydrophobicContact CD2-CG2 4.37Å; Y136-T140 HydrophobicContact CE1-CG2 4.1Å; Y136-T140 HydrophobicContact CE2-CG2 3.94Å; Y136-T140 WeakPolarHBondContact O-CB 3.39Å; Y136-T140 WeakPolarHBondContact O-CG2 3.37Å; Y136-T140 PolarHBondContact O-N 3.08Å; Y136-T140 PolarHBondContact O-OG1 3.14Å; N137-T140 PolarHBondContact O-N 3.43Å; N137-T140 PolarHBondContact O-OG1 3.14Å; A138-T140 VanDerWaalsContact C-N 3.25Å; A138-T140 PolarHBondContact O-N 3.01Å; T140-F161 HydrophobicContact CG2-CE1 3.92Å; T140-F161 HydrophobicContact CG2-CZ 3.73Å; T140-L167 HydrophobicContact CG2-CD1 3.68Å; T140-L167 HydrophobicContact CG2-CG 3.89Å; T140-T169 WeakPolarHBondContact CA-OG1 3.36Å; T140-T169 PolarHBondContact O-OG1 3.2Å
141	S	97.6	Very high	98.5	Very high	20 Å²	20	15.9 Å²	15.9	14%	0.14	9%	0.09	C	C	.	.			trans	-108.3	148	178.7	-179	0	0	0	0	111.6	N137 A138 L143 T169 M170	N137-S141 WeakPolarHBondContact O-CB 3.27Å; N137-S141 PolarHBondContact O-N 3.31Å; A138-S141 PolarHBondContact O-N 3Å; S141-L143 VanDerWaalsContact C-N 3.3Å; S141-L143 VanDerWaalsContact OG-CB 3.31Å; S141-L143 WeakPolarHBondContact OG-CB 3.41Å; S141-L143 VanDerWaalsContact OG-CG 3.24Å; S141-L143 WeakPolarHBondContact OG-CG 3.46Å; S141-L143 PolarHBondContact OG-N 2.94Å; S141-L143 VanDerWaalsContact OG-N 3.12Å; S141-T169 PolarHBondContact N-OG1 2.96Å; S141-T169 CarbonylContact O-C 3.53Å; S141-T169 VanDerWaalsContact O-C 3.23Å; S141-T169 PolarHBondContact O-OG1 3.27Å; S141-M170 WeakPolarHBondContact O-CA 3.28Å; S141-M170 PolarHBondContact O-N 3.3Å; S141-M170 VanDerWaalsContact O-N 3.12Å
142	T	97.7	Very high	98.5	Very high	108 Å²	108	15.9 Å²	15.9	66%	0.663	9%	0.09	S	C	*	.			trans	-89.2	2.6	170.8	55.7	0	0	0	0	112.8
143	L	98.1	Very high	98.5	Very high	51 Å²	51	16.1 Å²	16.1	27%	0.267	9%	0.092	S	C	.	.			trans	-73.9	135.2	-175.8	-64.7	178.1	0	0	0	112	V109 I119 S141 Y145	V109-L143 HydrophobicContact CG1-CD1 3.97Å; I119-L143 HydrophobicContact CD1-CB 4.01Å; I119-L143 HydrophobicContact CD1-CD1 4.14Å; I119-L143 HydrophobicContact CD1-CG 4.48Å; I119-L143 HydrophobicContact CG1-CB 3.99Å; I119-L143 HydrophobicContact CG1-CD2 4.39Å; S141-L143 VanDerWaalsContact C-N 3.3Å; S141-L143 VanDerWaalsContact OG-CB 3.31Å; S141-L143 WeakPolarHBondContact OG-CB 3.41Å; S141-L143 VanDerWaalsContact OG-CG 3.24Å; S141-L143 WeakPolarHBondContact OG-CG 3.46Å; S141-L143 PolarHBondContact OG-N 2.94Å; S141-L143 VanDerWaalsContact OG-N 3.12Å; L143-Y145 VanDerWaalsContact C-N 3.27Å; L143-Y145 HydrophobicContact CB-CD2 4.38Å; L143-Y145 HydrophobicContact CB-CE2 4.1Å; L143-Y145 HydrophobicContact CD1-CE1 4.35Å; L143-Y145 PolarHBondContact O-N 2.84Å
144	Q	97.9	Very high	98.5	Very high	75 Å²	75	17 Å²	17	35%	0.35	10%	0.095	S	C	.	.			trans	-82.8	68.8	176.4	-171.9	73.9	-32.2	0	0	110.4	I119 G120 P171 D173	I119-Q144 CarbonylContact C-O 3.57Å; G120-Q144 WeakPolarHBondContact CA-O 3.44Å; G120-Q144 PolarHBondContact N-O 2.9Å; Q144-P171 VanDerWaalsContact OE1-CG 3.28Å; Q144-D173 PolarHBondContact NE2-OD1 3.14Å; Q144-D173 PolarHBondContact NE2-OD2 2.75Å; Q144-D173 PolarHBondContact OE1-OD1 3.11Å
145	Y	98.6	Very high	98.4	Very high	5 Å²	5	17 Å²	17	2%	0.02	10%	0.095	C	C	.	.			trans	-55.9	146.4	175.9	-69.2	-66.2	0	0	0	111.4	V109 I119 I122 I124 N137 A138 L143 G147	V109-Y145 HydrophobicContact CB-CE1 4.46Å; V109-Y145 HydrophobicContact CG1-CE1 3.8Å; V109-Y145 HydrophobicContact CG2-CE1 3.8Å; I119-Y145 HydrophobicContact CD1-CD1 3.64Å; I119-Y145 HydrophobicContact CD1-CE1 3.75Å; I119-Y145 HydrophobicContact CD1-CG 4.47Å; I122-Y145 HydrophobicContact CG2-CD1 4.42Å; I124-Y145 HydrophobicContact CD1-CD2 3.97Å; I124-Y145 HydrophobicContact CD1-CE1 4.16Å; I124-Y145 HydrophobicContact CD1-CE2 3.54Å; I124-Y145 HydrophobicContact CD1-CG 4.43Å; I124-Y145 HydrophobicContact CG1-CD1 4.27Å; I124-Y145 HydrophobicContact CG1-CD2 4.27Å; I124-Y145 HydrophobicContact CG1-CE1 4.27Å; I124-Y145 HydrophobicContact CG1-CE2 4.25Å; I124-Y145 HydrophobicContact CG1-CG 4.27Å; I124-Y145 HydrophobicContact CG2-CD1 4.13Å; I124-Y145 HydrophobicContact CG2-CE1 3.71Å; N137-Y145 PolarHBondContact OD1-OH 2.9Å; A138-Y145 HydrophobicContact CB-CD2 4.5Å; L143-Y145 VanDerWaalsContact C-N 3.27Å; L143-Y145 HydrophobicContact CB-CD2 4.38Å; L143-Y145 HydrophobicContact CB-CE2 4.1Å; L143-Y145 HydrophobicContact CD1-CE1 4.35Å; L143-Y145 PolarHBondContact O-N 2.84Å; Y145-G147 PolarHBondContact O-N 3.05Å
146	G	98.3	Very high	98.4	Very high	7 Å²	7	16.9 Å²	16.9	7%	0.072	9%	0.094	C	C	.	.	S	Bend	trans	-65	-23.8	171.9	0	0	0	0	0	113	I119 G120 I122 P175	I119-G146 PolarHBondContact O-N 2.86Å; G120-G146 WeakPolarHBondContact O-CA 3.27Å; I122-G146 PolarHBondContact O-N 2.89Å; G146-P175 WeakPolarHBondContact O-CD 3.31Å; G146-P175 WeakPolarHBondContact O-CG 3.48Å
147	G	98.6	Very high	98.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.5	169.9	170.4	0	0	0	0	0	113.3	V123 I124 Y145 P175	V123-G147 WeakPolarHBondContact CA-O 3.38Å; V123-G147 WeakPolarHBondContact CG1-O 3.45Å; I124-G147 PolarHBondContact N-O 3.41Å; Y145-G147 PolarHBondContact O-N 3.05Å; G147-P175 CarbonylContact C-O 3.58Å; G147-P175 VanDerWaalsContact CA-O 3.24Å; G147-P175 WeakPolarHBondContact CA-O 3.45Å
148	V	98.9	Very high	98.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128	174.5	-175.6	0	0	0	0	109.2	I124 L135 A138 M170 V174 P175 V176 F177	I124-V148 HydrophobicContact CG1-CG2 4.34Å; I124-V148 CarbonylContact O-C 3.52Å; I124-V148 VanDerWaalsContact O-CA 3.27Å; I124-V148 WeakPolarHBondContact O-CA 3.39Å; L135-V148 HydrophobicContact CD2-CG1 4.17Å; A138-V148 HydrophobicContact CB-CG1 4.3Å; A138-V148 HydrophobicContact CB-CG2 3.5Å; A138-V148 VanDerWaalsContact CB-CG2 3.5Å; V148-M170 HydrophobicContact CG2-CE 4.44Å; V148-V174 HydrophobicContact CG2-CG1 3.97Å; V148-P175 PolarHBondContact N-O 2.94Å; V148-V176 HydrophobicContact CB-CG1 4.31Å; V148-V176 HydrophobicContact CB-CG2 4.24Å; V148-V176 CarbonylContact O-C 3.28Å; V148-V176 WeakPolarHBondContact O-CA 3.06Å; V148-F177 PolarHBondContact O-N 3.21Å
149	V	98.9	Very high	98	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.5	178.3	175.8	0	0	0	0	110.1	F35 V123 I124 G125 G126 F151 F177 L227 F230	F35-V149 HydrophobicContact CE2-CG1 3.98Å; V123-V149 HydrophobicContact CG1-CG2 3.76Å; I124-V149 PolarHBondContact O-N 2.8Å; G125-V149 CarbonylContact C-O 3.59Å; G125-V149 WeakPolarHBondContact CA-O 3.35Å; G126-V149 PolarHBondContact N-O 2.9Å; V149-F151 HydrophobicContact CG1-CD1 3.64Å; V149-F151 HydrophobicContact CG1-CE1 3.34Å; V149-F151 HydrophobicContact CG1-CG 4.39Å; V149-F151 HydrophobicContact CG1-CZ 3.87Å; V149-F177 HydrophobicContact CG1-CD1 4.32Å; V149-F177 HydrophobicContact CG2-CB 4.49Å; V149-F177 HydrophobicContact CG2-CD1 4.47Å; V149-L227 HydrophobicContact CB-CD1 4.48Å; V149-L227 HydrophobicContact CG1-CD1 4.01Å; V149-L227 HydrophobicContact CG2-CD1 3.64Å; V149-F230 HydrophobicContact CG2-CD1 4.19Å; V149-F230 HydrophobicContact CG2-CE1 3.92Å
150	A	98.8	Very high	97.8	Very high	2 Å²	2	24 Å²	24	2%	0.017	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	96.7	-172.5	0	0	0	0	0	110.3	L135 C153 F177 Q178 C179	L135-A150 HydrophobicContact CD1-CB 4.09Å; L135-A150 HydrophobicContact CD2-CB 4.11Å; L135-A150 HydrophobicContact CG-CB 4.07Å; A150-C153 VanDerWaalsContact CB-SG 3.54Å; A150-F177 PolarHBondContact N-O 3.23Å; A150-Q178 HydrophobicContact CB-CB 4.47Å; A150-Q178 HydrophobicContact CB-CG 3.78Å; A150-Q178 WeakPolarHBondContact O-CA 3.33Å; A150-C179 PolarHBondContact O-N 3.27Å
151	F	98.8	Very high	97.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	125.2	-178.8	-69.1	-0.9	0	0	0	111.2	F35 W46 G126 F127 S128 V149 C153 F177 C179 E223 M224 L227	F35-F151 HydrophobicContact CE2-CD2 4.22Å; F35-F151 HydrophobicContact CE2-CE2 4.35Å; F35-F151 AromaticContact CZ-CD2 3.85Å; F35-F151 HydrophobicContact CZ-CD2 3.85Å; F35-F151 HydrophobicContact CZ-CE2 4.33Å; F35-F151 HydrophobicContact CZ-CG 4.35Å; W46-F151 HydrophobicContact CH2-CD2 4.29Å; W46-F151 HydrophobicContact CZ3-CD2 4.02Å; W46-F151 HydrophobicContact CZ3-CE2 4.42Å; G126-F151 PolarHBondContact O-N 3.43Å; F127-F151 CarbonylContact C-O 3.53Å; F127-F151 WeakPolarHBondContact CA-O 3.4Å; F127-F151 HydrophobicContact CB-CB 4.38Å; F127-F151 HydrophobicContact CD2-CB 3.91Å; S128-F151 PolarHBondContact N-O 2.84Å; V149-F151 HydrophobicContact CG1-CD1 3.64Å; V149-F151 HydrophobicContact CG1-CE1 3.34Å; V149-F151 HydrophobicContact CG1-CG 4.39Å; V149-F151 HydrophobicContact CG1-CZ 3.87Å; F151-C153 PolarHBondContact O-N 3.41Å; F151-C153 VanDerWaalsContact O-N 3.08Å; F151-F177 AromaticContact CE1-CD1 3.98Å; F151-F177 HydrophobicContact CE1-CD1 3.98Å; F151-F177 AromaticContact CE1-CE1 3.81Å; F151-F177 HydrophobicContact CE1-CE1 3.81Å; F151-F177 HydrophobicContact CZ-CE1 4.35Å; F151-C179 HydrophobicContact CD1-CB 3.65Å; F151-C179 HydrophobicContact CE1-CB 3.87Å; F151-C179 HydrophobicContact CG-CB 4.48Å; F151-E223 HydrophobicContact CE1-CG 4.2Å; F151-E223 HydrophobicContact CE2-CG 4.24Å; F151-E223 HydrophobicContact CZ-CG 3.98Å; F151-M224 HydrophobicContact CE2-SD 3.88Å; F151-L227 HydrophobicContact CE2-CD2 4.35Å; F151-L227 HydrophobicContact CZ-CB 4.06Å; F151-L227 HydrophobicContact CZ-CD1 4.4Å; F151-L227 HydrophobicContact CZ-CD2 3.93Å; F151-L227 HydrophobicContact CZ-CG 4.34Å
152	S	98.7	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	46.1	44.3	172.5	-60.8	0	0	0	0	113.2	S128 C179 D184 H217	S128-S152 WeakPolarHBondContact CA-O 3.39Å; S152-C179 PolarHBondContact N-O 3.4Å; S152-D184 WeakPolarHBondContact CB-OD2 3.32Å; S152-H217 PolarHBondContact O-CE1 2.83Å
153	C	98.4	Very high	97.5	Very high	6 Å²	6	26.3 Å²	26.3	4%	0.041	14%	0.142	C	C	.	.			trans	-128.3	-171.9	-172.4	72.1	0	0	0	0	112.2	S128 A150 F151	S128-C153 WeakPolarHBondContact O-CB 3.31Å; A150-C153 VanDerWaalsContact CB-SG 3.54Å; F151-C153 PolarHBondContact O-N 3.41Å; F151-C153 VanDerWaalsContact O-N 3.08Å
154	W	97.9	Very high	97.3	Very high	17 Å²	17	26.3 Å²	26.3	6%	0.064	15%	0.146	C	C	.	.			trans	-140.7	161.7	178.2	65.8	100.1	0	0	0	110.4	Y82 I84 L87 S132 P156 I187 M191 T195	Y82-W154 VanDerWaalsContact OH-CZ2 3.28Å; Y82-W154 WeakPolarHBondContact OH-CZ2 3.44Å; I84-W154 HydrophobicContact CD1-CH2 4.3Å; L87-W154 HydrophobicContact CD2-CH2 3.94Å; L87-W154 HydrophobicContact CD2-CZ2 4.26Å; S132-W154 VanDerWaalsContact CA-O 3.31Å; S132-W154 WeakPolarHBondContact CA-O 3.47Å; S132-W154 WeakPolarHBondContact CB-O 3.3Å; S132-W154 VanDerWaalsContact OG-CD2 3.22Å; S132-W154 VanDerWaalsContact OG-CE3 3.31Å; S132-W154 PolarHBondContact OG-N 2.8Å; S132-W154 PolarHBondContact OG-O 2.87Å; W154-P156 WeakPolarHBondContact O-CD 3.44Å; W154-I187 HydrophobicContact CE3-CD1 3.71Å; W154-I187 HydrophobicContact CE3-CG1 4.13Å; W154-I187 HydrophobicContact CE3-CG2 3.95Å; W154-I187 HydrophobicContact CH2-CD1 4.1Å; W154-I187 HydrophobicContact CZ3-CD1 3.33Å; W154-I187 HydrophobicContact CZ3-CG1 3.89Å; W154-M191 HydrophobicContact CB-CB 4.3Å; W154-M191 HydrophobicContact CB-CE 4.02Å; W154-M191 HydrophobicContact CD2-CE 4.24Å; W154-M191 HydrophobicContact CG-CE 3.89Å; W154-T195 WeakPolarHBondContact CA-OG1 3.45Å
155	L	98	Very high	96.9	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	16%	0.16	C	C	.	.			trans	-77.7	109.6	167	173.7	56.1	0	0	0	109.3	L135 L139 H158 F161 T195 L198 F202	L135-L155 HydrophobicContact CB-CD1 4.38Å; L139-L155 HydrophobicContact CD1-CD1 3.29Å; L139-L155 HydrophobicContact CD1-CD2 3.88Å; L139-L155 HydrophobicContact CD1-CG 4.23Å; L155-H158 HydrophobicContact CB-CB 4.47Å; L155-H158 HydrophobicContact CD2-CB 4.18Å; L155-H158 HydrophobicContact CG-CB 4.09Å; L155-H158 PolarHBondContact O-ND1 2.94Å; L155-F161 HydrophobicContact CD1-CD2 4.05Å; L155-F161 HydrophobicContact CD1-CE2 3.68Å; L155-F161 HydrophobicContact CD1-CZ 4.41Å; L155-F161 HydrophobicContact CD2-CD2 4.12Å; L155-F161 HydrophobicContact CG-CD2 4.24Å; L155-F161 HydrophobicContact CG-CE2 4.36Å; L155-T195 HydrophobicContact CB-CG2 3.62Å; L155-T195 PolarHBondContact N-OG1 3.13Å; L155-L198 HydrophobicContact CD2-CD1 4.34Å; L155-F202 HydrophobicContact CD2-CE2 3.86Å; L155-F202 HydrophobicContact CD2-CZ 4.46Å
156	P	97.8	Very high	96.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	154.5	174	33.7	-37.4	0	0	0	109.5	I98 S132 W154 H158	I98-P156 HydrophobicContact CD1-CB 3.84Å; I98-P156 HydrophobicContact CG1-CB 4.44Å; I98-P156 HydrophobicContact CG2-CB 4.4Å; I98-P156 HydrophobicContact CG2-CG 4.1Å; S132-P156 WeakPolarHBondContact O-CD 3.09Å; S132-P156 VanDerWaalsContact O-CG 3.3Å; S132-P156 WeakPolarHBondContact O-CG 3.26Å; W154-P156 WeakPolarHBondContact O-CD 3.44Å; P156-H158 PolarHBondContact O-N 2.92Å; P156-H158 VanDerWaalsContact O-N 3.08Å
157	L	96.7	Very high	96.6	Very high	11 Å²	11	34.6 Å²	34.6	6%	0.058	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	28.3	180	-49.7	174.7	0	0	0	113.5	Q93 E95 I98 Y136 T159 K160 F161	Q93-L157 HydrophobicContact CB-CD2 3.92Å; E95-L157 HydrophobicContact CB-CD1 4.07Å; E95-L157 HydrophobicContact CB-CD2 3.96Å; E95-L157 HydrophobicContact CG-CD1 3.74Å; E95-L157 HydrophobicContact CG-CD2 4.39Å; I98-L157 HydrophobicContact CD1-CD1 4.29Å; I98-L157 HydrophobicContact CD1-CD2 4.15Å; I98-L157 HydrophobicContact CD1-CG 4Å; I98-L157 HydrophobicContact CG2-CD1 4.24Å; Y136-L157 HydrophobicContact CD2-CD1 4.21Å; Y136-L157 HydrophobicContact CE2-CD1 3.72Å; L157-T159 PolarHBondContact O-N 3.08Å; L157-T159 VanDerWaalsContact O-N 3.16Å; L157-K160 HydrophobicContact CB-CB 4.29Å; L157-K160 HydrophobicContact CB-CG 4.41Å; L157-K160 WeakPolarHBondContact O-CA 3.46Å; L157-K160 VanDerWaalsContact O-CB 3.3Å; L157-K160 WeakPolarHBondContact O-CB 3.36Å; L157-K160 PolarHBondContact O-N 3.22Å; L157-F161 PolarHBondContact O-N 3.21Å
158	H	95.9	Very high	96.5	Very high	13 Å²	13	35.9 Å²	35.9	6%	0.06	21%	0.208	C	C	.	.	H	α-helix	trans	-53.3	-37.9	-178.9	56.2	-90.1	0	0	0	113.1	E89 L155 P156 K160 F161 M162 L198	E89-H158 PolarHBondContact O-CE1 3.24Å; L155-H158 HydrophobicContact CB-CB 4.47Å; L155-H158 HydrophobicContact CD2-CB 4.18Å; L155-H158 HydrophobicContact CG-CB 4.09Å; L155-H158 PolarHBondContact O-ND1 2.94Å; P156-H158 PolarHBondContact O-N 2.92Å; P156-H158 VanDerWaalsContact O-N 3.08Å; H158-K160 PolarHBondContact O-N 3.39Å; H158-F161 PolarHBondContact O-N 3.2Å; H158-F161 VanDerWaalsContact O-N 3.14Å; H158-M162 WeakPolarHBondContact O-CG 3.2Å; H158-M162 PolarHBondContact O-N 2.74Å; H158-L198 HydrophobicContact CB-CD1 3.51Å
159	T	94.9	Very high	96.4	Very high	74 Å²	74	38.7 Å²	38.7	45%	0.454	23%	0.226	S	C	.	.	H	α-helix	trans	-62	-29	175	54.6	0	0	0	0	113	L157 S163	L157-T159 PolarHBondContact O-N 3.08Å; L157-T159 VanDerWaalsContact O-N 3.16Å; T159-S163 WeakPolarHBondContact O-CB 3.39Å; T159-S163 PolarHBondContact O-N 2.86Å; T159-S163 PolarHBondContact O-OG 3.02Å
160	K	95.9	Very high	96.4	Very high	78 Å²	78	39 Å²	39	34%	0.339	23%	0.227	S	C	.	.	H	α-helix	trans	-72.7	-41.4	172.2	-69.7	-156	170.9	-153.1	0	112.5	E95 L157 H158 M162 S163 S164 L167	E95-K160 VanDerWaalsContact CD-CE 3.48Å; E95-K160 WeakPolarHBondContact OE1-CE 3.41Å; E95-K160 IonicContact OE1-NZ 3.37Å; E95-K160 PolarHBondContact OE1-NZ 3.5Å; E95-K160 WeakPolarHBondContact OE2-CE 3.48Å; E95-K160 IonicContact OE2-NZ 2.69Å; E95-K160 PolarHBondContact OE2-NZ 3Å; L157-K160 HydrophobicContact CB-CB 4.29Å; L157-K160 HydrophobicContact CB-CG 4.41Å; L157-K160 WeakPolarHBondContact O-CA 3.46Å; L157-K160 VanDerWaalsContact O-CB 3.3Å; L157-K160 WeakPolarHBondContact O-CB 3.36Å; L157-K160 PolarHBondContact O-N 3.22Å; H158-K160 PolarHBondContact O-N 3.39Å; K160-M162 PolarHBondContact O-N 3Å; K160-S163 WeakPolarHBondContact CA-OG 3.23Å; K160-S163 PolarHBondContact O-N 3.43Å; K160-S163 PolarHBondContact O-OG 3.27Å; K160-S164 WeakPolarHBondContact O-CA 3.14Å; K160-S164 WeakPolarHBondContact O-CB 3.29Å; K160-S164 PolarHBondContact O-N 3.05Å; K160-L167 HydrophobicContact CB-CD2 4.14Å
161	F	96.2	Very high	96.3	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.009	24%	0.236	C	C	.	.	H	α-helix	trans	-60.9	-37.4	173.4	-74.2	-79.1	0	0	0	111.8	Y136 L139 T140 L155 L157 H158 L167 L168 F202	Y136-F161 AromaticContact CD2-CE2 3.92Å; Y136-F161 HydrophobicContact CD2-CE2 3.92Å; Y136-F161 HydrophobicContact CD2-CZ 4Å; Y136-F161 HydrophobicContact CE2-CE2 4.27Å; Y136-F161 HydrophobicContact CE2-CZ 4.23Å; L139-F161 HydrophobicContact CB-CE1 3.59Å; L139-F161 HydrophobicContact CB-CZ 3.63Å; L139-F161 HydrophobicContact CD1-CE1 4.35Å; L139-F161 HydrophobicContact CD1-CE2 4.37Å; L139-F161 HydrophobicContact CD1-CZ 4.08Å; T140-F161 HydrophobicContact CG2-CE1 3.92Å; T140-F161 HydrophobicContact CG2-CZ 3.73Å; L155-F161 HydrophobicContact CD1-CD2 4.05Å; L155-F161 HydrophobicContact CD1-CE2 3.68Å; L155-F161 HydrophobicContact CD1-CZ 4.41Å; L155-F161 HydrophobicContact CD2-CD2 4.12Å; L155-F161 HydrophobicContact CG-CD2 4.24Å; L155-F161 HydrophobicContact CG-CE2 4.36Å; L157-F161 PolarHBondContact O-N 3.21Å; H158-F161 PolarHBondContact O-N 3.2Å; H158-F161 VanDerWaalsContact O-N 3.14Å; F161-L167 HydrophobicContact CD1-CB 4.28Å; F161-L167 HydrophobicContact CD1-CD2 3.91Å; F161-L167 HydrophobicContact CD1-CG 3.99Å; F161-L167 HydrophobicContact CD2-CD2 4.3Å; F161-L167 HydrophobicContact CE1-CB 4.4Å; F161-L167 HydrophobicContact CE1-CD2 3.86Å; F161-L167 HydrophobicContact CE1-CG 3.72Å; F161-L167 HydrophobicContact CE2-CD2 4.25Å; F161-L167 HydrophobicContact CG-CD2 4.14Å; F161-L167 HydrophobicContact CZ-CD2 4.05Å; F161-L167 HydrophobicContact CZ-CG 4.23Å; F161-L168 HydrophobicContact CD1-CB 4.27Å; F161-L168 HydrophobicContact CD1-CD1 4.43Å; F161-F202 HydrophobicContact CB-CE1 4.25Å; F161-F202 HydrophobicContact CB-CE2 4.12Å; F161-F202 HydrophobicContact CB-CZ 3.54Å; F161-F202 HydrophobicContact CG-CE2 4.49Å; F161-F202 HydrophobicContact CG-CZ 4.36Å
162	M	94.2	Very high	96.2	Very high	116 Å²	116	44.6 Å²	44.6	57%	0.571	25%	0.254	S	S	*	.	H	α-helix	trans	-68.6	-39.5	176.4	-66	170.9	72.8	0	0	112.9	H158 K160 L198	H158-M162 WeakPolarHBondContact O-CG 3.2Å; H158-M162 PolarHBondContact O-N 2.74Å; K160-M162 PolarHBondContact O-N 3Å; M162-L198 HydrophobicContact CE-CD2 4.49Å; M162-L198 HydrophobicContact CG-CD2 3.79Å; M162-L198 HydrophobicContact SD-CD2 3.8Å
163	S	95.8	Very high	96.1	Very high	94 Å²	94	47.8 Å²	47.8	66%	0.657	27%	0.271	S	S	*	.	H	α-helix	trans	-87.8	-20.2	-177.2	54.2	0	0	0	0	114.2	T159 K160	T159-S163 WeakPolarHBondContact O-CB 3.39Å; T159-S163 PolarHBondContact O-N 2.86Å; T159-S163 PolarHBondContact O-OG 3.02Å; K160-S163 WeakPolarHBondContact CA-OG 3.23Å; K160-S163 PolarHBondContact O-N 3.43Å; K160-S163 PolarHBondContact O-OG 3.27Å
164	S	95	Very high	96.1	Very high	51 Å²	51	47.6 Å²	47.6	36%	0.357	27%	0.27	S	S	.	.			trans	-132.5	81.3	178.6	-170.5	0	0	0	0	110.4	K160 T166 L167	K160-S164 WeakPolarHBondContact O-CA 3.14Å; K160-S164 WeakPolarHBondContact O-CB 3.29Å; K160-S164 PolarHBondContact O-N 3.05Å; S164-T166 PolarHBondContact O-N 3.28Å; S164-T166 PolarHBondContact OG-OG1 3.47Å; S164-L167 WeakPolarHBondContact O-CB 3.37Å; S164-L167 PolarHBondContact O-N 3.49Å
165	P	88.9	Confident	96.1	Very high	98 Å²	98	47.3 Å²	47.3	64%	0.636	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-58.2	-23	-179.6	-27.1	36	0	0	0	114.2	L167 L168	P165-L167 PolarHBondContact O-N 2.96Å; P165-L168 PolarHBondContact O-N 3.42Å
166	T	94.4	Very high	96.1	Very high	118 Å²	118	47.3 Å²	47.3	72%	0.724	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-67.5	-16.9	175.5	51.7	0	0	0	0	113.7	S164 L168	S164-T166 PolarHBondContact O-N 3.28Å; S164-T166 PolarHBondContact OG-OG1 3.47Å; T166-L168 PolarHBondContact O-N 2.97Å
167	L	95.8	Very high	96.2	Very high	46 Å²	46	47.5 Å²	47.5	24%	0.241	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-66.4	-27.1	173	-177.1	60.5	0	0	0	111.5	T140 K160 F161 S164 P165 T169	T140-L167 HydrophobicContact CG2-CD1 3.68Å; T140-L167 HydrophobicContact CG2-CG 3.89Å; K160-L167 HydrophobicContact CB-CD2 4.14Å; F161-L167 HydrophobicContact CD1-CB 4.28Å; F161-L167 HydrophobicContact CD1-CD2 3.91Å; F161-L167 HydrophobicContact CD1-CG 3.99Å; F161-L167 HydrophobicContact CD2-CD2 4.3Å; F161-L167 HydrophobicContact CE1-CB 4.4Å; F161-L167 HydrophobicContact CE1-CD2 3.86Å; F161-L167 HydrophobicContact CE1-CG 3.72Å; F161-L167 HydrophobicContact CE2-CD2 4.25Å; F161-L167 HydrophobicContact CG-CD2 4.14Å; F161-L167 HydrophobicContact CZ-CD2 4.05Å; F161-L167 HydrophobicContact CZ-CG 4.23Å; S164-L167 WeakPolarHBondContact O-CB 3.37Å; S164-L167 PolarHBondContact O-N 3.49Å; P165-L167 PolarHBondContact O-N 2.96Å; L167-T169 PolarHBondContact O-N 3.42Å
168	L	97	Very high	96.3	Very high	26 Å²	26	47.2 Å²	47.2	14%	0.136	27%	0.27	C	S	.	.			trans	-85	108.8	-179.4	-170.8	134.2	0	0	0	110.9	L139 F161 P165 T166 F202	L139-L168 HydrophobicContact CD2-CD1 3.76Å; L139-L168 CarbonylContact O-C 3.52Å; L139-L168 WeakPolarHBondContact O-CA 3.35Å; F161-L168 HydrophobicContact CD1-CB 4.27Å; F161-L168 HydrophobicContact CD1-CD1 4.43Å; P165-L168 PolarHBondContact O-N 3.42Å; T166-L168 PolarHBondContact O-N 2.97Å; L168-F202 HydrophobicContact CD1-CB 3.55Å; L168-F202 HydrophobicContact CD1-CD1 4.08Å; L168-F202 HydrophobicContact CD1-CD2 3.33Å; L168-F202 HydrophobicContact CD1-CE2 4.03Å; L168-F202 HydrophobicContact CD1-CG 3.39Å; L168-F202 HydrophobicContact CD2-CB 4.46Å
169	T	97.7	Very high	96.4	Very high	60 Å²	60	46.7 Å²	46.7	37%	0.368	27%	0.267	S	S	.	.			trans	-119.7	-6.9	-175.7	54.5	0	0	0	0	113.6	L139 T140 S141 L167	L139-T169 PolarHBondContact O-N 3.49Å; T140-T169 WeakPolarHBondContact CA-OG1 3.36Å; T140-T169 PolarHBondContact O-OG1 3.2Å; S141-T169 PolarHBondContact N-OG1 2.96Å; S141-T169 CarbonylContact O-C 3.53Å; S141-T169 VanDerWaalsContact O-C 3.23Å; S141-T169 PolarHBondContact O-OG1 3.27Å; L167-T169 PolarHBondContact O-N 3.42Å
170	M	97.8	Very high	96.6	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.025	25%	0.246	C	C	.	.	S	Bend	trans	-55.9	132.3	177.8	-168.5	177.4	147.8	0	0	112.8	A138 L139 S141 V148 V174 V176 L204	A138-M170 HydrophobicContact CB-SD 3.86Å; A138-M170 VanDerWaalsContact O-CB 3.23Å; A138-M170 WeakPolarHBondContact O-CB 3.2Å; A138-M170 WeakPolarHBondContact O-CG 3.3Å; L139-M170 HydrophobicContact CD2-SD 3.8Å; L139-M170 HydrophobicContact CG-SD 4.32Å; L139-M170 PolarHBondContact O-N 2.84Å; S141-M170 WeakPolarHBondContact O-CA 3.28Å; S141-M170 PolarHBondContact O-N 3.3Å; S141-M170 VanDerWaalsContact O-N 3.12Å; V148-M170 HydrophobicContact CG2-CE 4.44Å; M170-V174 HydrophobicContact CE-CB 3.5Å; M170-V174 VanDerWaalsContact CE-CB 3.5Å; M170-V174 HydrophobicContact CE-CG1 3.61Å; M170-V174 HydrophobicContact CE-CG2 4.47Å; M170-V176 HydrophobicContact CE-CG2 3.7Å; M170-L204 HydrophobicContact CE-CD1 4.19Å; M170-L204 HydrophobicContact CE-CD2 4.16Å; M170-L204 HydrophobicContact SD-CD1 4.22Å; M170-L204 HydrophobicContact SD-CD2 4.33Å
171	P	97.4	Very high	96.7	Very high	33 Å²	33	39.6 Å²	39.6	21%	0.214	23%	0.23	C	C	.	.			trans	-57.1	140.1	168.9	-22.8	33	0	0	0	111.9	Q144 D173 V174	Q144-P171 VanDerWaalsContact OE1-CG 3.28Å; P171-D173 PolarHBondContact O-N 2.77Å; P171-V174 HydrophobicContact CB-CG2 4.14Å; P171-V174 HydrophobicContact CG-CG2 4.41Å; P171-V174 PolarHBondContact O-N 3.07Å
172	K	96.3	Very high	96.8	Very high	87 Å²	87	43.4 Å²	43.4	38%	0.378	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-12.3	-167.6	-58.3	-56.6	-172.1	177.4	0	115.3	F202 L204 S205	K172-F202 PolarHBondContact NZ-O 3.33Å; K172-L204 HydrophobicContact CD-CD2 3.97Å; K172-S205 PolarHBondContact O-N 3.18Å; K172-S205 PolarHBondContact O-OG 3.25Å
173	D	96.1	Very high	97	Very high	68 Å²	68	42.2 Å²	42.2	36%	0.364	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	5.3	-174	71.7	-42.4	0	0	0	113.6	Q144 P171 K206	Q144-D173 PolarHBondContact NE2-OD1 3.14Å; Q144-D173 PolarHBondContact NE2-OD2 2.75Å; Q144-D173 PolarHBondContact OE1-OD1 3.11Å; P171-D173 PolarHBondContact O-N 2.77Å; D173-K206 VanDerWaalsContact O-CD 3.29Å; D173-K206 WeakPolarHBondContact O-CD 3.25Å; D173-K206 WeakPolarHBondContact O-CE 3.35Å; D173-K206 PolarHBondContact O-NZ 3.1Å
174	V	98.2	Very high	97.1	Very high	1 Å²	1	38 Å²	38	1%	0.006	21%	0.214	C	C	.	.	S	Bend	trans	-65.5	124.1	167.3	173.3	0	0	0	0	108.5	V148 M170 P171	V148-V174 HydrophobicContact CG2-CG1 3.97Å; M170-V174 HydrophobicContact CE-CB 3.5Å; M170-V174 VanDerWaalsContact CE-CB 3.5Å; M170-V174 HydrophobicContact CE-CG1 3.61Å; M170-V174 HydrophobicContact CE-CG2 4.47Å; P171-V174 HydrophobicContact CB-CG2 4.14Å; P171-V174 HydrophobicContact CG-CG2 4.41Å; P171-V174 PolarHBondContact O-N 3.07Å
175	P	98.4	Very high	97.2	Very high	11 Å²	11	45 Å²	45	7%	0.071	23%	0.234	C	C	.	.			trans	-77.3	135.8	-176.9	32.9	-35.3	0	0	0	111.4	G146 G147 V148 K206 F230 N234	G146-P175 WeakPolarHBondContact O-CD 3.31Å; G146-P175 WeakPolarHBondContact O-CG 3.48Å; G147-P175 CarbonylContact C-O 3.58Å; G147-P175 VanDerWaalsContact CA-O 3.24Å; G147-P175 WeakPolarHBondContact CA-O 3.45Å; V148-P175 PolarHBondContact N-O 2.94Å; P175-K206 CarbonylContact C-O 3.57Å; P175-K206 WeakPolarHBondContact CA-O 3.38Å; P175-K206 HydrophobicContact CB-CB 4.04Å; P175-K206 HydrophobicContact CB-CD 4.29Å; P175-F230 HydrophobicContact CB-CE2 3.87Å; P175-F230 HydrophobicContact CB-CZ 4.13Å; P175-F230 HydrophobicContact CG-CE2 4.27Å; P175-F230 HydrophobicContact CG-CZ 4.12Å; P175-N234 HydrophobicContact CG-CB 4.15Å
176	V	98.7	Very high	97.6	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.012	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	116.9	179.6	-174.2	0	0	0	0	109.6	L135 V148 M170 Q178 L199 K206 C207 E208	L135-V176 HydrophobicContact CD2-CG1 4.26Å; V148-V176 HydrophobicContact CB-CG1 4.31Å; V148-V176 HydrophobicContact CB-CG2 4.24Å; V148-V176 CarbonylContact O-C 3.28Å; V148-V176 WeakPolarHBondContact O-CA 3.06Å; M170-V176 HydrophobicContact CE-CG2 3.7Å; V176-Q178 HydrophobicContact CG1-CG 4.02Å; V176-L199 HydrophobicContact CG1-CD1 4.18Å; V176-K206 PolarHBondContact N-O 2.99Å; V176-C207 HydrophobicContact CB-CB 4.45Å; V176-E208 PolarHBondContact O-N 3.41Å
177	F	98.7	Very high	97.7	Very high	3 Å²	3	38.2 Å²	38.2	1%	0.013	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	95.5	177.4	-174.9	-113.5	0	0	0	109.9	V148 V149 A150 F151 C179 N210 D226 L227 F230	V148-F177 PolarHBondContact O-N 3.21Å; V149-F177 HydrophobicContact CG1-CD1 4.32Å; V149-F177 HydrophobicContact CG2-CB 4.49Å; V149-F177 HydrophobicContact CG2-CD1 4.47Å; A150-F177 PolarHBondContact N-O 3.23Å; F151-F177 AromaticContact CE1-CD1 3.98Å; F151-F177 HydrophobicContact CE1-CD1 3.98Å; F151-F177 AromaticContact CE1-CE1 3.81Å; F151-F177 HydrophobicContact CE1-CE1 3.81Å; F151-F177 HydrophobicContact CZ-CE1 4.35Å; F177-C179 WeakPolarHBondContact CE1-SG 3.46Å; F177-C179 WeakPolarHBondContact CZ-SG 3.4Å; F177-N210 WeakPolarHBondContact CE2-ND2 3.35Å; F177-D226 HydrophobicContact CE2-CB 4.36Å; F177-D226 VanDerWaalsContact CZ-C 3.49Å; F177-D226 HydrophobicContact CZ-CB 3.73Å; F177-L227 HydrophobicContact CD1-CD1 4.21Å; F177-L227 HydrophobicContact CE1-CB 3.94Å; F177-L227 HydrophobicContact CE1-CD1 4.3Å; F177-F230 HydrophobicContact CB-CB 4.5Å; F177-F230 HydrophobicContact CB-CD1 3.85Å; F177-F230 HydrophobicContact CB-CD2 3.58Å; F177-F230 HydrophobicContact CB-CE1 3.88Å; F177-F230 HydrophobicContact CB-CE2 3.59Å; F177-F230 HydrophobicContact CB-CG 3.7Å; F177-F230 HydrophobicContact CB-CZ 3.74Å; F177-F230 HydrophobicContact CD1-CB 4.34Å; F177-F230 HydrophobicContact CD1-CD1 4.41Å; F177-F230 HydrophobicContact CD1-CG 4.3Å; F177-F230 HydrophobicContact CD2-CB 3.86Å; F177-F230 AromaticContact CD2-CD2 3.87Å; F177-F230 HydrophobicContact CD2-CD2 3.87Å; F177-F230 AromaticContact CD2-CG 3.91Å; F177-F230 HydrophobicContact CD2-CG 3.91Å; F177-F230 HydrophobicContact CE2-CB 4.07Å; F177-F230 HydrophobicContact CG-CB 4.01Å; F177-F230 HydrophobicContact CG-CD1 4.12Å; F177-F230 AromaticContact CG-CD2 3.91Å; F177-F230 HydrophobicContact CG-CD2 3.91Å; F177-F230 HydrophobicContact CG-CE2 4.41Å; F177-F230 AromaticContact CG-CG 3.74Å; F177-F230 HydrophobicContact CG-CG 3.74Å; F177-F230 HydrophobicContact CZ-CB 4.44Å
178	Q	98.8	Very high	97.8	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.028	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	137	173.4	-68.3	156.8	93.6	0	0	110.2	A150 V176 H196 L199 E208 L209 N210	A150-Q178 HydrophobicContact CB-CB 4.47Å; A150-Q178 HydrophobicContact CB-CG 3.78Å; A150-Q178 WeakPolarHBondContact O-CA 3.33Å; V176-Q178 HydrophobicContact CG1-CG 4.02Å; Q178-H196 PolarHBondContact NE2-ND1 2.87Å; Q178-H196 VanDerWaalsContact NE2-ND1 3.13Å; Q178-L199 VanDerWaalsContact CD-CD1 3.46Å; Q178-E208 WeakPolarHBondContact CB-O 3.26Å; Q178-E208 PolarHBondContact N-O 3.07Å; Q178-E208 PolarHBondContact NE2-O 3.43Å; Q178-L209 HydrophobicContact CB-CB 4.5Å; Q178-L209 HydrophobicContact CB-CD1 3.84Å; Q178-L209 WeakPolarHBondContact O-CA 3.36Å; Q178-N210 PolarHBondContact O-N 2.78Å
179	C	98.8	Very high	97.8	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.007	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	140.4	174.1	-71.3	0	0	0	0	109.9	A150 F151 S152 F177 N210 Y212 E223	A150-C179 PolarHBondContact O-N 3.27Å; F151-C179 HydrophobicContact CD1-CB 3.65Å; F151-C179 HydrophobicContact CE1-CB 3.87Å; F151-C179 HydrophobicContact CG-CB 4.48Å; S152-C179 PolarHBondContact N-O 3.4Å; F177-C179 WeakPolarHBondContact CE1-SG 3.46Å; F177-C179 WeakPolarHBondContact CZ-SG 3.4Å; C179-N210 CarbonylContact C-O 3.4Å; C179-N210 VanDerWaalsContact CA-O 3.3Å; C179-N210 WeakPolarHBondContact CA-O 3.02Å; C179-Y212 HydrophobicContact CB-CE2 3.67Å; C179-Y212 PolarHBondContact SG-OH 2.99Å; C179-E223 HydrophobicContact CB-CG 3.8Å; C179-E223 WeakPolarHBondContact CB-OE1 3.43Å
180	H	98.7	Very high	97.8	Very high	3 Å²	3	40.5 Å²	40.5	1%	0.014	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	138.5	-178.8	-141.7	110.3	0	0	0	112.2	D184 I187 F189 L209 N210 C211 Y212	H180-D184 IonicContact NE2-OD2 2.71Å; H180-I187 PolarHBondContact NE2-O 2.97Å; H180-F189 HydrophobicContact CB-CD2 3.88Å; H180-F189 HydrophobicContact CB-CE2 4.29Å; H180-L209 HydrophobicContact CB-CD1 4.38Å; H180-N210 PolarHBondContact N-O 2.76Å; H180-C211 VanDerWaalsContact O-CA 3.31Å; H180-C211 WeakPolarHBondContact O-CA 3.3Å; H180-Y212 PolarHBondContact O-N 3.29Å
181	G	98.6	Very high	97.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	137.1	172.2	0	0	0	0	0	113.4	E183 D184 L215	G181-E183 VanDerWaalsContact C-N 3.26Å; G181-E183 PolarHBondContact O-N 2.91Å; G181-D184 WeakPolarHBondContact O-CB 3.49Å; G181-D184 PolarHBondContact O-N 3.43Å; G181-L215 CarbonylContact C-O 3.54Å; G181-L215 VanDerWaalsContact C-O 3.28Å; G181-L215 WeakPolarHBondContact CA-O 3.44Å
182	L	98.5	Very high	97.8	Very high	83 Å²	83	40.1 Å²	40.1	44%	0.435	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-15.9	177.2	-62.9	-172.5	0	0	0	113	F189 C211 Y212 P213 L215	L182-F189 HydrophobicContact CD2-CB 4.28Å; L182-F189 HydrophobicContact CD2-CD1 3.69Å; L182-F189 HydrophobicContact CD2-CD2 3.79Å; L182-F189 HydrophobicContact CD2-CE1 3.91Å; L182-F189 HydrophobicContact CD2-CE2 4.01Å; L182-F189 HydrophobicContact CD2-CG 3.62Å; L182-F189 HydrophobicContact CD2-CZ 4.06Å; L182-C211 HydrophobicContact CD2-CB 3.88Å; L182-C211 HydrophobicContact CG-CB 4.22Å; L182-Y212 PolarHBondContact N-O 3.26Å; L182-P213 HydrophobicContact CD1-CB 4.47Å; L182-P213 HydrophobicContact CD1-CG 4.42Å; L182-L215 PolarHBondContact N-O 2.6Å
183	E	98.2	Very high	97.8	Very high	91 Å²	91	41.1 Å²	41.1	43%	0.425	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	20.9	175.2	-69	-177.7	-170.3	0	0	112	G181 Y185 P213 L215 S216	G181-E183 VanDerWaalsContact C-N 3.26Å; G181-E183 PolarHBondContact O-N 2.91Å; E183-Y185 HydrophobicContact CB-CE2 4.37Å; E183-Y185 WeakPolarHBondContact O-CD2 3.43Å; E183-Y185 WeakPolarHBondContact O-CE2 3.37Å; E183-Y185 PolarHBondContact O-N 2.98Å; E183-Y185 VanDerWaalsContact O-N 3.13Å; E183-P213 WeakPolarHBondContact CG-O 3.3Å; E183-L215 CarbonylContact C-O 3.49Å; E183-L215 PolarHBondContact N-O 2.71Å; E183-S216 WeakPolarHBondContact O-CA 3.07Å
184	D	98.3	Very high	97.9	Very high	6 Å²	6	40.4 Å²	40.4	3%	0.032	21%	0.208	C	C	.	.			trans	-73.9	102.7	174.5	-169.8	-19.1	0	0	0	110.5	S152 H180 G181 T186 I187 P188 H217	S152-D184 WeakPolarHBondContact CB-OD2 3.32Å; H180-D184 IonicContact NE2-OD2 2.71Å; G181-D184 WeakPolarHBondContact O-CB 3.49Å; G181-D184 PolarHBondContact O-N 3.43Å; D184-T186 PolarHBondContact OD1-N 3.25Å; D184-I187 WeakPolarHBondContact CB-O 3.31Å; D184-I187 PolarHBondContact OD1-N 3.07Å; D184-P188 VanDerWaalsContact O-CA 3.3Å; D184-P188 WeakPolarHBondContact O-CA 3.47Å; D184-H217 VanDerWaalsContact CG-ND1 3.35Å; D184-H217 VanDerWaalsContact OD1-CB 3.31Å; D184-H217 WeakPolarHBondContact OD1-CB 3.4Å; D184-H217 IonicContact OD1-CG 2.64Å; D184-H217 IonicContact OD1-ND1 2.63Å; D184-H217 PolarHBondContact OD1-ND1 2.69Å; D184-H217 IonicContact OD2-CE1 2.76Å; D184-H217 IonicContact OD2-CG 3.22Å; D184-H217 IonicContact OD2-ND1 3.67Å; D184-H217 PolarHBondContact OD2-ND1 2.94Å
185	Y	96.4	Very high	97.9	Very high	198 Å²	198	40.6 Å²	40.6	78%	0.776	21%	0.209	S	C	*	.	S	Bend	trans	-88.5	-9.8	176.6	-64.1	-74.7	0	0	0	113.7	E183	E183-Y185 HydrophobicContact CB-CE2 4.37Å; E183-Y185 WeakPolarHBondContact O-CD2 3.43Å; E183-Y185 WeakPolarHBondContact O-CE2 3.37Å; E183-Y185 PolarHBondContact O-N 2.98Å; E183-Y185 VanDerWaalsContact O-N 3.13Å
186	T	96.6	Very high	97.9	Very high	71 Å²	71	41.2 Å²	41.2	44%	0.436	21%	0.211	S	C	.	.	S	Bend	trans	-86.1	-50.6	177.8	-58.4	0	0	0	0	110.1	L87 D184	L87-T186 HydrophobicContact CD1-CG2 4.35Å; D184-T186 PolarHBondContact OD1-N 3.25Å
187	I	96.9	Very high	97.8	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.228	C	C	.	.	S	Bend	trans	-119.5	92.5	171.9	-54.5	-58.9	0	0	0	107.2	L87 W154 H180 D184 F189 M191 H217	L87-I187 HydrophobicContact CD1-CD1 4.07Å; L87-I187 HydrophobicContact CD2-CD1 3.84Å; L87-I187 HydrophobicContact CG-CD1 4.45Å; W154-I187 HydrophobicContact CE3-CD1 3.71Å; W154-I187 HydrophobicContact CE3-CG1 4.13Å; W154-I187 HydrophobicContact CE3-CG2 3.95Å; W154-I187 HydrophobicContact CH2-CD1 4.1Å; W154-I187 HydrophobicContact CZ3-CD1 3.33Å; W154-I187 HydrophobicContact CZ3-CG1 3.89Å; H180-I187 PolarHBondContact NE2-O 2.97Å; D184-I187 WeakPolarHBondContact CB-O 3.31Å; D184-I187 PolarHBondContact OD1-N 3.07Å; I187-F189 PolarHBondContact O-N 3.38Å; I187-M191 HydrophobicContact CG2-CB 4.27Å; I187-M191 HydrophobicContact CG2-SD 4.33Å; I187-H217 VanDerWaalsContact CG1-CE1 3.41Å; I187-H217 WeakPolarHBondContact CG1-CE1 3.37Å
188	P	97	Very high	97.7	Very high	60 Å²	60	45.4 Å²	45.4	39%	0.39	23%	0.23	S	C	.	.			trans	-51.6	137.9	-177.7	-29.2	36.1	0	0	0	112.6	D184 A190 M191	D184-P188 VanDerWaalsContact O-CA 3.3Å; D184-P188 WeakPolarHBondContact O-CA 3.47Å; P188-A190 PolarHBondContact O-N 2.94Å; P188-M191 WeakPolarHBondContact O-CB 3.44Å; P188-M191 PolarHBondContact O-N 3.21Å
189	F	97.9	Very high	97.7	Very high	52 Å²	52	45.1 Å²	45.1	23%	0.228	23%	0.229	C	C	.	.	H	α-helix	trans	-47.6	-32.7	177	172.8	-114.7	0	0	0	113.5	H180 L182 I187 M191 G192 K193 L209 C211	H180-F189 HydrophobicContact CB-CD2 3.88Å; H180-F189 HydrophobicContact CB-CE2 4.29Å; L182-F189 HydrophobicContact CD2-CB 4.28Å; L182-F189 HydrophobicContact CD2-CD1 3.69Å; L182-F189 HydrophobicContact CD2-CD2 3.79Å; L182-F189 HydrophobicContact CD2-CE1 3.91Å; L182-F189 HydrophobicContact CD2-CE2 4.01Å; L182-F189 HydrophobicContact CD2-CG 3.62Å; L182-F189 HydrophobicContact CD2-CZ 4.06Å; I187-F189 PolarHBondContact O-N 3.38Å; F189-M191 PolarHBondContact O-N 3.24Å; F189-G192 PolarHBondContact O-N 3.13Å; F189-G192 VanDerWaalsContact O-N 3.13Å; F189-K193 HydrophobicContact CE1-CB 4.25Å; F189-K193 HydrophobicContact CE1-CD 4.14Å; F189-K193 HydrophobicContact CZ-CB 4.18Å; F189-K193 HydrophobicContact CZ-CD 4.49Å; F189-K193 WeakPolarHBondContact O-CB 3.35Å; F189-K193 PolarHBondContact O-N 3.45Å; F189-L209 HydrophobicContact CE2-CD1 4.48Å; F189-L209 HydrophobicContact CE2-CD2 4.01Å; F189-L209 HydrophobicContact CE2-CG 4.48Å; F189-L209 HydrophobicContact CZ-CD2 4.15Å; F189-C211 HydrophobicContact CE2-CB 4.35Å; F189-C211 WeakPolarHBondContact CE2-SG 3.28Å; F189-C211 WeakPolarHBondContact CZ-SG 3.44Å
190	A	97	Very high	97.5	Very high	69 Å²	69	50 Å²	50	57%	0.57	25%	0.25	S	S	*	.	H	α-helix	trans	-54.2	-35	175.1	0	0	0	0	0	113.4	P188 L194	P188-A190 PolarHBondContact O-N 2.94Å; A190-L194 WeakPolarHBondContact O-CB 3.13Å; A190-L194 PolarHBondContact O-N 3.05Å
191	M	97.3	Very high	97.4	Very high	27 Å²	27	54.3 Å²	54.3	13%	0.133	28%	0.277	C	S	.	.	H	α-helix	trans	-71.4	-42.1	176.7	-63.8	-175.7	67.1	0	0	112.2	W154 I187 P188 F189 K193 L194 T195	W154-M191 HydrophobicContact CB-CB 4.3Å; W154-M191 HydrophobicContact CB-CE 4.02Å; W154-M191 HydrophobicContact CD2-CE 4.24Å; W154-M191 HydrophobicContact CG-CE 3.89Å; I187-M191 HydrophobicContact CG2-CB 4.27Å; I187-M191 HydrophobicContact CG2-SD 4.33Å; P188-M191 WeakPolarHBondContact O-CB 3.44Å; P188-M191 PolarHBondContact O-N 3.21Å; F189-M191 PolarHBondContact O-N 3.24Å; M191-K193 VanDerWaalsContact C-N 3.35Å; M191-L194 PolarHBondContact O-N 3.43Å; M191-T195 PolarHBondContact O-N 3.48Å; M191-T195 PolarHBondContact O-OG1 2.91Å
192	G	97.7	Very high	97.2	Very high	3 Å²	3	55.5 Å²	55.5	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-64.2	-40.6	172.9	0	0	0	0	0	111.8	F189 T195 H196	F189-G192 PolarHBondContact O-N 3.13Å; F189-G192 VanDerWaalsContact O-N 3.13Å; G192-T195 VanDerWaalsContact O-CB 3.32Å; G192-T195 WeakPolarHBondContact O-CB 3.49Å; G192-T195 PolarHBondContact O-N 3.02Å; G192-H196 PolarHBondContact O-N 3.24Å
193	K	98.1	Very high	97	Very high	108 Å²	108	58.8 Å²	58.8	47%	0.47	30%	0.295	S	S	.	.	H	α-helix	trans	-63.2	-45.4	174.5	-173.5	178.5	179.9	179.8	0	112.3	F189 M191 T195 H196 E197	F189-K193 HydrophobicContact CE1-CB 4.25Å; F189-K193 HydrophobicContact CE1-CD 4.14Å; F189-K193 HydrophobicContact CZ-CB 4.18Å; F189-K193 HydrophobicContact CZ-CD 4.49Å; F189-K193 WeakPolarHBondContact O-CB 3.35Å; F189-K193 PolarHBondContact O-N 3.45Å; M191-K193 VanDerWaalsContact C-N 3.35Å; K193-T195 VanDerWaalsContact C-N 3.27Å; K193-T195 PolarHBondContact O-N 2.93Å; K193-H196 PolarHBondContact O-N 2.8Å; K193-E197 PolarHBondContact O-N 2.86Å
194	L	97.1	Very high	96.8	Very high	53 Å²	53	54.8 Å²	54.8	28%	0.277	28%	0.277	S	S	.	.	H	α-helix	trans	-57.7	-44.2	174.6	174.5	62.2	0	0	0	110.9	E89 A190 M191 H196 E197 L198	E89-L194 HydrophobicContact CG-CD2 3.8Å; E89-L194 WeakPolarHBondContact OE1-CD2 3.4Å; A190-L194 WeakPolarHBondContact O-CB 3.13Å; A190-L194 PolarHBondContact O-N 3.05Å; M191-L194 PolarHBondContact O-N 3.43Å; L194-H196 PolarHBondContact O-N 2.81Å; L194-E197 PolarHBondContact O-N 3.27Å; L194-L198 HydrophobicContact CD1-CD1 4.28Å; L194-L198 HydrophobicContact CD1-CG 4.32Å; L194-L198 HydrophobicContact CG-CD1 4.19Å; L194-L198 WeakPolarHBondContact O-CG 3.41Å; L194-L198 PolarHBondContact O-N 3.47Å
195	T	97.9	Very high	96.4	Very high	5 Å²	5	58.8 Å²	58.8	3%	0.031	31%	0.305	C	S	.	.	H	α-helix	trans	-56.3	-50.4	175.4	-60	0	0	0	0	111.1	L135 W154 L155 M191 G192 K193 E197 L198 L199	L135-T195 HydrophobicContact CD1-CG2 3.84Å; W154-T195 WeakPolarHBondContact CA-OG1 3.45Å; L155-T195 HydrophobicContact CB-CG2 3.62Å; L155-T195 PolarHBondContact N-OG1 3.13Å; M191-T195 PolarHBondContact O-N 3.48Å; M191-T195 PolarHBondContact O-OG1 2.91Å; G192-T195 VanDerWaalsContact O-CB 3.32Å; G192-T195 WeakPolarHBondContact O-CB 3.49Å; G192-T195 PolarHBondContact O-N 3.02Å; K193-T195 VanDerWaalsContact C-N 3.27Å; K193-T195 PolarHBondContact O-N 2.93Å; T195-E197 PolarHBondContact O-N 3Å; T195-L198 PolarHBondContact O-N 3.13Å; T195-L199 HydrophobicContact CG2-CD1 4.09Å; T195-L199 VanDerWaalsContact O-CG 3.29Å; T195-L199 WeakPolarHBondContact O-CG 3.17Å; T195-L199 PolarHBondContact O-N 3.46Å
196	H	98.3	Very high	96.4	Very high	24 Å²	24	53.9 Å²	53.9	11%	0.111	29%	0.288	C	S	.	.	H	α-helix	trans	-61.3	-42.7	179.2	-175.9	75.9	0	0	0	113.2	Q178 G192 K193 L194 L198 L199 K200 L209	Q178-H196 PolarHBondContact NE2-ND1 2.87Å; Q178-H196 VanDerWaalsContact NE2-ND1 3.13Å; G192-H196 PolarHBondContact O-N 3.24Å; K193-H196 PolarHBondContact O-N 2.8Å; L194-H196 PolarHBondContact O-N 2.81Å; H196-L198 VanDerWaalsContact C-N 3.34Å; H196-L198 PolarHBondContact O-N 3.22Å; H196-L199 PolarHBondContact O-N 2.99Å; H196-K200 PolarHBondContact O-N 3.08Å; H196-K200 VanDerWaalsContact O-N 3.08Å; H196-L209 HydrophobicContact CB-CB 4.08Å; H196-L209 HydrophobicContact CB-CD2 3.79Å; H196-L209 HydrophobicContact CB-CG 4.42Å; H196-L209 WeakPolarHBondContact ND1-CB 3.22Å
197	E	97.6	Very high	96.5	Very high	79 Å²	79	51.6 Å²	51.6	37%	0.369	27%	0.274	S	S	.	.	H	α-helix	trans	-64.4	-39	176.7	-68	-53.4	145.6	0	0	111.9	K193 L194 T195 K200 T201	K193-E197 PolarHBondContact O-N 2.86Å; L194-E197 PolarHBondContact O-N 3.27Å; T195-E197 PolarHBondContact O-N 3Å; E197-K200 WeakPolarHBondContact O-CB 3.17Å; E197-K200 PolarHBondContact O-N 3.36Å; E197-K200 IonicContact OE1-NZ 2.86Å; E197-K200 PolarHBondContact OE1-NZ 2.95Å; E197-K200 IonicContact OE2-NZ 3.95Å; E197-K200 PolarHBondContact OE2-NZ 3.33Å; E197-T201 WeakPolarHBondContact O-CG2 3.39Å; E197-T201 PolarHBondContact O-N 2.96Å
198	L	96.8	Very high	96.5	Very high	13 Å²	13	55.1 Å²	55.1	7%	0.068	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-46.1	173.8	-72.7	171.1	0	0	0	111.8	L155 H158 M162 L194 T195 H196 K200 T201 F202	L155-L198 HydrophobicContact CD2-CD1 4.34Å; H158-L198 HydrophobicContact CB-CD1 3.51Å; M162-L198 HydrophobicContact CE-CD2 4.49Å; M162-L198 HydrophobicContact CG-CD2 3.79Å; M162-L198 HydrophobicContact SD-CD2 3.8Å; L194-L198 HydrophobicContact CD1-CD1 4.28Å; L194-L198 HydrophobicContact CD1-CG 4.32Å; L194-L198 HydrophobicContact CG-CD1 4.19Å; L194-L198 WeakPolarHBondContact O-CG 3.41Å; L194-L198 PolarHBondContact O-N 3.47Å; T195-L198 PolarHBondContact O-N 3.13Å; H196-L198 VanDerWaalsContact C-N 3.34Å; H196-L198 PolarHBondContact O-N 3.22Å; L198-K200 PolarHBondContact O-N 3.28Å; L198-T201 WeakPolarHBondContact CA-OG1 3.32Å; L198-T201 WeakPolarHBondContact O-CA 3.49Å; L198-T201 PolarHBondContact O-N 3.26Å; L198-T201 PolarHBondContact O-OG1 3.23Å; L198-F202 HydrophobicContact CB-CE2 4Å; L198-F202 HydrophobicContact CB-CZ 4.01Å; L198-F202 HydrophobicContact CD2-CZ 4.37Å; L198-F202 VanDerWaalsContact O-CD2 3.29Å; L198-F202 WeakPolarHBondContact O-CD2 3.45Å; L198-F202 WeakPolarHBondContact O-CG 3.29Å; L198-F202 PolarHBondContact O-N 3.43Å
199	L	97.4	Very high	96.5	Very high	1 Å²	1	54 Å²	54	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-57.2	-36.9	176.6	-64.9	169.3	0	0	0	112.1	L135 L139 V176 Q178 T195 H196 F202 L204	L135-L199 HydrophobicContact CD2-CD1 4.41Å; L139-L199 HydrophobicContact CD1-CD2 3.97Å; L139-L199 HydrophobicContact CD2-CD2 3.73Å; L139-L199 HydrophobicContact CG-CD2 4.34Å; V176-L199 HydrophobicContact CG1-CD1 4.18Å; Q178-L199 VanDerWaalsContact CD-CD1 3.46Å; T195-L199 HydrophobicContact CG2-CD1 4.09Å; T195-L199 VanDerWaalsContact O-CG 3.29Å; T195-L199 WeakPolarHBondContact O-CG 3.17Å; T195-L199 PolarHBondContact O-N 3.46Å; H196-L199 PolarHBondContact O-N 2.99Å; L199-F202 HydrophobicContact CD2-CD2 4.4Å; L199-F202 PolarHBondContact O-N 3.23Å; L199-L204 HydrophobicContact CB-CD1 4.15Å; L199-L204 HydrophobicContact CD2-CD1 3.53Å; L199-L204 HydrophobicContact CG-CD1 4.42Å; L199-L204 WeakPolarHBondContact O-CB 3.42Å; L199-L204 PolarHBondContact O-N 3.24Å
200	K	96.1	Very high	96.6	Very high	103 Å²	103	53.8 Å²	53.8	45%	0.448	28%	0.282	S	S	.	.	H	α-helix	trans	-66.4	-43.7	172.5	-74.1	169	60.4	-156	0	112.5	H196 E197 L198 F202 Q203	H196-K200 PolarHBondContact O-N 3.08Å; H196-K200 VanDerWaalsContact O-N 3.08Å; E197-K200 WeakPolarHBondContact O-CB 3.17Å; E197-K200 PolarHBondContact O-N 3.36Å; E197-K200 IonicContact OE1-NZ 2.86Å; E197-K200 PolarHBondContact OE1-NZ 2.95Å; E197-K200 IonicContact OE2-NZ 3.95Å; E197-K200 PolarHBondContact OE2-NZ 3.33Å; L198-K200 PolarHBondContact O-N 3.28Å; K200-F202 PolarHBondContact O-N 3.31Å; K200-Q203 PolarHBondContact O-N 2.79Å
201	T	95.4	Very high	96.6	Very high	93 Å²	93	52.9 Å²	52.9	57%	0.571	27%	0.271	S	S	*	.	H	α-helix	trans	-63	-27.8	175.5	64.8	0	0	0	0	112.8	E197 L198 Q203	E197-T201 WeakPolarHBondContact O-CG2 3.39Å; E197-T201 PolarHBondContact O-N 2.96Å; L198-T201 WeakPolarHBondContact CA-OG1 3.32Å; L198-T201 WeakPolarHBondContact O-CA 3.49Å; L198-T201 PolarHBondContact O-N 3.26Å; L198-T201 PolarHBondContact O-OG1 3.23Å; T201-Q203 PolarHBondContact O-N 3.08Å
202	F	95.3	Very high	96.7	Very high	26 Å²	26	52 Å²	52	11%	0.114	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	3.5	172.4	-55.9	-27.4	0	0	0	114.2	L139 L155 F161 L168 K172 L198 L199 K200 L204	L139-F202 HydrophobicContact CD2-CD2 4.44Å; L155-F202 HydrophobicContact CD2-CE2 3.86Å; L155-F202 HydrophobicContact CD2-CZ 4.46Å; F161-F202 HydrophobicContact CB-CE1 4.25Å; F161-F202 HydrophobicContact CB-CE2 4.12Å; F161-F202 HydrophobicContact CB-CZ 3.54Å; F161-F202 HydrophobicContact CG-CE2 4.49Å; F161-F202 HydrophobicContact CG-CZ 4.36Å; L168-F202 HydrophobicContact CD1-CB 3.55Å; L168-F202 HydrophobicContact CD1-CD1 4.08Å; L168-F202 HydrophobicContact CD1-CD2 3.33Å; L168-F202 HydrophobicContact CD1-CE2 4.03Å; L168-F202 HydrophobicContact CD1-CG 3.39Å; L168-F202 HydrophobicContact CD2-CB 4.46Å; K172-F202 PolarHBondContact NZ-O 3.33Å; L198-F202 HydrophobicContact CB-CE2 4Å; L198-F202 HydrophobicContact CB-CZ 4.01Å; L198-F202 HydrophobicContact CD2-CZ 4.37Å; L198-F202 VanDerWaalsContact O-CD2 3.29Å; L198-F202 WeakPolarHBondContact O-CD2 3.45Å; L198-F202 WeakPolarHBondContact O-CG 3.29Å; L198-F202 PolarHBondContact O-N 3.43Å; L199-F202 HydrophobicContact CD2-CD2 4.4Å; L199-F202 PolarHBondContact O-N 3.23Å; K200-F202 PolarHBondContact O-N 3.31Å; F202-L204 HydrophobicContact CB-CG 4.25Å; F202-L204 PolarHBondContact O-N 3.45Å
203	Q	94.2	Very high	96.7	Very high	152 Å²	152	56.1 Å²	56.1	71%	0.71	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	30.2	179.5	-55.3	166.7	32.9	0	0	113	K200 T201 S205	K200-Q203 PolarHBondContact O-N 2.79Å; T201-Q203 PolarHBondContact O-N 3.08Å; Q203-S205 PolarHBondContact O-N 3.31Å
204	L	94.5	Very high	96.6	Very high	7 Å²	7	59.1 Å²	59.1	4%	0.037	31%	0.309	C	S	.	.			trans	-76.4	109.1	170.5	-61.7	176.2	0	0	0	108.4	L139 M170 K172 L199 F202 K206 C207	L139-L204 HydrophobicContact CD2-CD1 3.65Å; M170-L204 HydrophobicContact CE-CD1 4.19Å; M170-L204 HydrophobicContact CE-CD2 4.16Å; M170-L204 HydrophobicContact SD-CD1 4.22Å; M170-L204 HydrophobicContact SD-CD2 4.33Å; K172-L204 HydrophobicContact CD-CD2 3.97Å; L199-L204 HydrophobicContact CB-CD1 4.15Å; L199-L204 HydrophobicContact CD2-CD1 3.53Å; L199-L204 HydrophobicContact CG-CD1 4.42Å; L199-L204 WeakPolarHBondContact O-CB 3.42Å; L199-L204 PolarHBondContact O-N 3.24Å; F202-L204 HydrophobicContact CB-CG 4.25Å; F202-L204 PolarHBondContact O-N 3.45Å; L204-K206 VanDerWaalsContact C-N 3.34Å; L204-K206 PolarHBondContact O-N 2.9Å; L204-C207 WeakPolarHBondContact CB-SG 3.21Å
205	S	89.7	Confident	96.7	Very high	89 Å²	89	57.1 Å²	57.1	62%	0.622	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-18.2	-164.5	59.4	0	0	0	0	114.4	K172 Q203	K172-S205 PolarHBondContact O-N 3.18Å; K172-S205 PolarHBondContact O-OG 3.25Å; Q203-S205 PolarHBondContact O-N 3.31Å
206	K	96.4	Very high	96.7	Very high	96 Å²	96	59.8 Å²	59.8	42%	0.417	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	46.6	-173.5	-61.6	-170	-162.1	152.1	0	112.3	D173 P175 V176 L204	D173-K206 VanDerWaalsContact O-CD 3.29Å; D173-K206 WeakPolarHBondContact O-CD 3.25Å; D173-K206 WeakPolarHBondContact O-CE 3.35Å; D173-K206 PolarHBondContact O-NZ 3.1Å; P175-K206 CarbonylContact C-O 3.57Å; P175-K206 WeakPolarHBondContact CA-O 3.38Å; P175-K206 HydrophobicContact CB-CB 4.04Å; P175-K206 HydrophobicContact CB-CD 4.29Å; V176-K206 PolarHBondContact N-O 2.99Å; L204-K206 VanDerWaalsContact C-N 3.34Å; L204-K206 PolarHBondContact O-N 2.9Å
207	C	97	Very high	96.7	Very high	23 Å²	23	60.7 Å²	60.7	16%	0.155	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	126.7	176.8	-65.9	0	0	0	0	110.9	V176 L204	V176-C207 HydrophobicContact CB-CB 4.45Å; L204-C207 WeakPolarHBondContact CB-SG 3.21Å
208	E	97.1	Very high	96.7	Very high	75 Å²	75	59.8 Å²	59.8	35%	0.35	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	147.3	172.7	-63.2	175.3	-171.5	0	0	109	V176 Q178 K233	V176-E208 PolarHBondContact O-N 3.41Å; Q178-E208 WeakPolarHBondContact CB-O 3.26Å; Q178-E208 PolarHBondContact N-O 3.07Å; Q178-E208 PolarHBondContact NE2-O 3.43Å; E208-K233 IonicContact OE1-NZ 2.73Å
209	L	98.4	Very high	96.7	Very high	35 Å²	35	61 Å²	61	18%	0.183	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	107.7	168.5	172.3	63.8	0	0	0	108.8	Q178 H180 F189 H196	Q178-L209 HydrophobicContact CB-CB 4.5Å; Q178-L209 HydrophobicContact CB-CD1 3.84Å; Q178-L209 WeakPolarHBondContact O-CA 3.36Å; H180-L209 HydrophobicContact CB-CD1 4.38Å; F189-L209 HydrophobicContact CE2-CD1 4.48Å; F189-L209 HydrophobicContact CE2-CD2 4.01Å; F189-L209 HydrophobicContact CE2-CG 4.48Å; F189-L209 HydrophobicContact CZ-CD2 4.15Å; H196-L209 HydrophobicContact CB-CB 4.08Å; H196-L209 HydrophobicContact CB-CD2 3.79Å; H196-L209 HydrophobicContact CB-CG 4.42Å; H196-L209 WeakPolarHBondContact ND1-CB 3.22Å
210	N	98.6	Very high	96.7	Very high	48 Å²	48	62.9 Å²	62.9	26%	0.257	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	131.6	176.7	-67.6	-16.7	0	0	0	110	F177 Q178 C179 H180 Y212	F177-N210 WeakPolarHBondContact CE2-ND2 3.35Å; Q178-N210 PolarHBondContact O-N 2.78Å; C179-N210 CarbonylContact C-O 3.4Å; C179-N210 VanDerWaalsContact CA-O 3.3Å; C179-N210 WeakPolarHBondContact CA-O 3.02Å; H180-N210 PolarHBondContact N-O 2.76Å; N210-Y212 HydrophobicContact CB-CE2 3.98Å
211	C	98.1	Very high	96.8	Very high	50 Å²	50	65.1 Å²	65.1	34%	0.338	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	140.3	-176	-50.9	0	0	0	0	110.2	H180 L182 F189	H180-C211 VanDerWaalsContact O-CA 3.31Å; H180-C211 WeakPolarHBondContact O-CA 3.3Å; L182-C211 HydrophobicContact CD2-CB 3.88Å; L182-C211 HydrophobicContact CG-CB 4.22Å; F189-C211 HydrophobicContact CE2-CB 4.35Å; F189-C211 WeakPolarHBondContact CE2-SG 3.28Å; F189-C211 WeakPolarHBondContact CZ-SG 3.44Å
212	Y	98.6	Very high	96.9	Very high	8 Å²	8	66.9 Å²	66.9	3%	0.031	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	110.9	-175.9	-56.5	-90.5	0	0	0	109.9	C179 H180 L182 N210 Q214 L215 K222 E223 D226	C179-Y212 HydrophobicContact CB-CE2 3.67Å; C179-Y212 PolarHBondContact SG-OH 2.99Å; H180-Y212 PolarHBondContact O-N 3.29Å; L182-Y212 PolarHBondContact N-O 3.26Å; N210-Y212 HydrophobicContact CB-CE2 3.98Å; Y212-Q214 PolarHBondContact O-N 2.95Å; Y212-L215 HydrophobicContact CD2-CD2 3.95Å; Y212-L215 HydrophobicContact CG-CD2 4.06Å; Y212-L215 PolarHBondContact O-N 2.63Å; Y212-K222 HydrophobicContact CD1-CB 4.45Å; Y212-K222 HydrophobicContact CD1-CD 4.13Å; Y212-K222 HydrophobicContact CD1-CG 4.41Å; Y212-K222 HydrophobicContact CE1-CB 4.34Å; Y212-K222 HydrophobicContact CE1-CD 4.12Å; Y212-K222 HydrophobicContact CE1-CG 4.08Å; Y212-E223 HydrophobicContact CD1-CB 4.31Å; Y212-E223 HydrophobicContact CD2-CB 4.41Å; Y212-E223 HydrophobicContact CE1-CB 3.79Å; Y212-E223 HydrophobicContact CE2-CB 3.94Å; Y212-E223 HydrophobicContact CE2-CG 3.86Å; Y212-E223 WeakPolarHBondContact OH-CA 3.17Å; Y212-D226 PolarHBondContact OH-OD2 2.99Å
213	P	97.7	Very high	97.1	Very high	90 Å²	90	65.7 Å²	65.7	58%	0.584	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-37.4	-168.1	-30.8	36.4	0	0	0	116.9	L182 E183	L182-P213 HydrophobicContact CD1-CB 4.47Å; L182-P213 HydrophobicContact CD1-CG 4.42Å; E183-P213 WeakPolarHBondContact CG-O 3.3Å
214	Q	97	Very high	97.3	Very high	172 Å²	172	58.6 Å²	58.6	80%	0.804	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	11.6	-174.9	-64.4	171.3	3.3	0	0	112.5	Y212	Y212-Q214 PolarHBondContact O-N 2.95Å
215	L	98.6	Very high	97.4	Very high	11 Å²	11	59.5 Å²	59.5	6%	0.058	33%	0.33	C	S	.	.			trans	-89.2	127.1	179.7	-178.3	61.8	0	0	0	108.7	G181 L182 E183 Y212 C220	G181-L215 CarbonylContact C-O 3.54Å; G181-L215 VanDerWaalsContact C-O 3.28Å; G181-L215 WeakPolarHBondContact CA-O 3.44Å; L182-L215 PolarHBondContact N-O 2.6Å; E183-L215 CarbonylContact C-O 3.49Å; E183-L215 PolarHBondContact N-O 2.71Å; Y212-L215 HydrophobicContact CD2-CD2 3.95Å; Y212-L215 HydrophobicContact CG-CD2 4.06Å; Y212-L215 PolarHBondContact O-N 2.63Å; L215-C220 HydrophobicContact CD1-CB 4.07Å
216	S	98.1	Very high	97.9	Very high	60 Å²	60	57.3 Å²	57.3	42%	0.42	31%	0.311	S	S	.	.			trans	-91.1	-149.9	170.8	66.1	0	0	0	0	110.6	E183 S218	E183-S216 WeakPolarHBondContact O-CA 3.07Å; S216-S218 PolarHBondContact O-N 3.4Å
217	H	98	Very high	98	Very high	43 Å²	43	52.7 Å²	52.7	20%	0.199	29%	0.291	C	S	.	.	S	Bend	trans	-78.1	65.3	174.9	-158.1	61.4	0	0	0	111.9	F127 S128 S152 D184 I187	F127-H217 AromaticContact CE1-CD2 3.9Å; F127-H217 AromaticContact CE1-NE2 3.59Å; F127-H217 AromaticContact CZ-CD2 3.62Å; F127-H217 AromaticContact CZ-CE1 3.76Å; F127-H217 AromaticContact CZ-CG 3.91Å; F127-H217 AromaticContact CZ-ND1 3.99Å; F127-H217 AromaticContact CZ-NE2 3.55Å; S128-H217 VanDerWaalsContact CB-CE1 3.46Å; S128-H217 WeakPolarHBondContact CB-CE1 3.39Å; S128-H217 VanDerWaalsContact CB-NE2 3.27Å; S128-H217 WeakPolarHBondContact CB-NE2 3.49Å; S128-H217 PolarHBondContact OG-CE1 3.21Å; S128-H217 VanDerWaalsContact OG-CE1 3.22Å; S128-H217 PolarHBondContact OG-NE2 3.13Å; S152-H217 PolarHBondContact O-CE1 2.83Å; D184-H217 VanDerWaalsContact CG-ND1 3.35Å; D184-H217 VanDerWaalsContact OD1-CB 3.31Å; D184-H217 WeakPolarHBondContact OD1-CB 3.4Å; D184-H217 IonicContact OD1-CG 2.64Å; D184-H217 IonicContact OD1-ND1 2.63Å; D184-H217 PolarHBondContact OD1-ND1 2.69Å; D184-H217 IonicContact OD2-CE1 2.76Å; D184-H217 IonicContact OD2-CG 3.22Å; D184-H217 IonicContact OD2-ND1 3.67Å; D184-H217 PolarHBondContact OD2-ND1 2.94Å; I187-H217 VanDerWaalsContact CG1-CE1 3.41Å; I187-H217 WeakPolarHBondContact CG1-CE1 3.37Å
218	S	97.7	Very high	98	Very high	60 Å²	60	57.1 Å²	57.1	42%	0.42	31%	0.305	S	S	.	.	S	Bend	trans	-152.4	-164.7	-179.9	-160.8	0	0	0	0	110.3	S216	S216-S218 PolarHBondContact O-N 3.4Å
219	S	96.9	Very high	98.1	Very high	38 Å²	38	57.8 Å²	57.8	27%	0.266	31%	0.314	S	S	.	.			trans	-116	165.3	167.6	61.4	0	0	0	0	111.5	E223	S219-E223 WeakPolarHBondContact CA-OE2 3.44Å; S219-E223 WeakPolarHBondContact CB-OE2 3.29Å
220	C	97.6	Very high	98.1	Very high	41 Å²	41	56.6 Å²	56.6	28%	0.277	31%	0.307	S	S	.	.			trans	-139.2	162.1	172.7	67.2	0	0	0	0	112.4	L215 K222 E223 M224	L215-C220 HydrophobicContact CD1-CB 4.07Å; C220-K222 PolarHBondContact O-N 2.82Å; C220-E223 WeakPolarHBondContact O-CB 3.44Å; C220-E223 PolarHBondContact O-N 3.42Å; C220-E223 VanDerWaalsContact O-N 3.07Å; C220-M224 WeakPolarHBondContact O-CG 3.42Å; C220-M224 PolarHBondContact O-N 3.44Å
221	E	97.6	Very high	98.1	Very high	151 Å²	151	54.3 Å²	54.3	71%	0.706	30%	0.295	S	S	*	.	H	α-helix	trans	-55.6	-37.2	-178.9	-60.6	-174.7	167.7	0	0	112.9	M224 G225	E221-M224 PolarHBondContact O-N 3.37Å; E221-G225 PolarHBondContact O-N 2.86Å
222	K	98.3	Very high	98	Very high	130 Å²	130	54.4 Å²	54.4	57%	0.565	30%	0.297	S	S	*	.	H	α-helix	trans	-64.3	-47.5	177.3	-171.5	-173.6	176	-63.1	0	111.4	Y212 C220 M224 G225 D226	Y212-K222 HydrophobicContact CD1-CB 4.45Å; Y212-K222 HydrophobicContact CD1-CD 4.13Å; Y212-K222 HydrophobicContact CD1-CG 4.41Å; Y212-K222 HydrophobicContact CE1-CB 4.34Å; Y212-K222 HydrophobicContact CE1-CD 4.12Å; Y212-K222 HydrophobicContact CE1-CG 4.08Å; C220-K222 PolarHBondContact O-N 2.82Å; K222-M224 VanDerWaalsContact C-N 3.28Å; K222-M224 PolarHBondContact O-N 2.9Å; K222-G225 PolarHBondContact O-N 2.97Å; K222-D226 IonicContact NZ-OD1 2.6Å; K222-D226 IonicContact NZ-OD2 3.55Å; K222-D226 PolarHBondContact NZ-OD2 2.97Å; K222-D226 VanDerWaalsContact O-CG 3.3Å; K222-D226 PolarHBondContact O-N 3.01Å
223	E	98.4	Very high	98	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-59.7	-41.6	177.7	179.5	-174.9	-122.1	0	0	111.6	F151 C179 Y212 S219 C220 D226 L227	F151-E223 HydrophobicContact CE1-CG 4.2Å; F151-E223 HydrophobicContact CE2-CG 4.24Å; F151-E223 HydrophobicContact CZ-CG 3.98Å; C179-E223 HydrophobicContact CB-CG 3.8Å; C179-E223 WeakPolarHBondContact CB-OE1 3.43Å; Y212-E223 HydrophobicContact CD1-CB 4.31Å; Y212-E223 HydrophobicContact CD2-CB 4.41Å; Y212-E223 HydrophobicContact CE1-CB 3.79Å; Y212-E223 HydrophobicContact CE2-CB 3.94Å; Y212-E223 HydrophobicContact CE2-CG 3.86Å; Y212-E223 WeakPolarHBondContact OH-CA 3.17Å; S219-E223 WeakPolarHBondContact CA-OE2 3.44Å; S219-E223 WeakPolarHBondContact CB-OE2 3.29Å; C220-E223 WeakPolarHBondContact O-CB 3.44Å; C220-E223 PolarHBondContact O-N 3.42Å; C220-E223 VanDerWaalsContact O-N 3.07Å; E223-D226 PolarHBondContact O-N 2.97Å; E223-L227 PolarHBondContact O-N 2.69Å
224	M	98.4	Very high	97.9	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.02	31%	0.308	C	S	.	.	H	α-helix	trans	-70.2	-34.1	178	-61.9	-66	-73.2	0	0	112.6	A49 L50 Y53 F151 C220 E221 K222 L227 R228	A49-M224 HydrophobicContact CB-CE 4.35Å; L50-M224 HydrophobicContact CD2-CE 3.69Å; L50-M224 HydrophobicContact CD2-SD 4.48Å; L50-M224 HydrophobicContact CG-CE 4.16Å; Y53-M224 VanDerWaalsContact CD1-C 3.49Å; Y53-M224 HydrophobicContact CD1-CB 3.42Å; Y53-M224 VanDerWaalsContact CD1-CB 3.42Å; Y53-M224 HydrophobicContact CD2-CB 3.68Å; Y53-M224 HydrophobicContact CD2-CE 3.68Å; Y53-M224 HydrophobicContact CD2-CG 4.27Å; Y53-M224 HydrophobicContact CE1-CB 3.57Å; Y53-M224 HydrophobicContact CE2-CB 3.84Å; Y53-M224 HydrophobicContact CE2-CE 4.34Å; Y53-M224 HydrophobicContact CE2-CG 4.29Å; Y53-M224 HydrophobicContact CG-CB 3.47Å; Y53-M224 VanDerWaalsContact CG-CB 3.47Å; Y53-M224 HydrophobicContact CG-CE 4.16Å; Y53-M224 HydrophobicContact CG-CG 4.48Å; F151-M224 HydrophobicContact CE2-SD 3.88Å; C220-M224 WeakPolarHBondContact O-CG 3.42Å; C220-M224 PolarHBondContact O-N 3.44Å; E221-M224 PolarHBondContact O-N 3.37Å; K222-M224 VanDerWaalsContact C-N 3.28Å; K222-M224 PolarHBondContact O-N 2.9Å; M224-L227 WeakPolarHBondContact O-CB 3.47Å; M224-L227 PolarHBondContact O-N 3.48Å; M224-L227 HydrophobicContact SD-CD2 4.43Å; M224-R228 PolarHBondContact O-N 3.29Å
225	G	98.4	Very high	97.9	Very high	25 Å²	25	50.5 Å²	50.5	26%	0.258	27%	0.27	S	S	.	.	H	α-helix	trans	-66.2	-39.3	170.5	0	0	0	0	0	113	E221 K222 L227 R228 T229	E221-G225 PolarHBondContact O-N 2.86Å; K222-G225 PolarHBondContact O-N 2.97Å; G225-L227 VanDerWaalsContact C-N 3.34Å; G225-R228 WeakPolarHBondContact O-CB 3.3Å; G225-R228 PolarHBondContact O-N 3.14Å; G225-T229 PolarHBondContact O-N 3.33Å; G225-T229 VanDerWaalsContact O-N 3.15Å; G225-T229 PolarHBondContact O-OG1 3.28Å; G225-T229 VanDerWaalsContact O-OG1 3.14Å
226	D	98.5	Very high	97.5	Very high	43 Å²	43	54.1 Å²	54.1	23%	0.23	29%	0.294	C	S	.	.	H	α-helix	trans	-66.9	-37.8	174.8	-67.3	-27.2	0	0	0	110.5	F177 Y212 K222 E223 T229 F230	F177-D226 HydrophobicContact CE2-CB 4.36Å; F177-D226 VanDerWaalsContact CZ-C 3.49Å; F177-D226 HydrophobicContact CZ-CB 3.73Å; Y212-D226 PolarHBondContact OH-OD2 2.99Å; K222-D226 IonicContact NZ-OD1 2.6Å; K222-D226 IonicContact NZ-OD2 3.55Å; K222-D226 PolarHBondContact NZ-OD2 2.97Å; K222-D226 VanDerWaalsContact O-CG 3.3Å; K222-D226 PolarHBondContact O-N 3.01Å; E223-D226 PolarHBondContact O-N 2.97Å; D226-T229 WeakPolarHBondContact O-CB 3.25Å; D226-T229 PolarHBondContact O-N 3.14Å; D226-F230 PolarHBondContact O-N 3.01Å
227	L	98.6	Very high	96.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-58.4	-47.1	170.5	172.8	64.9	0	0	0	112.2	L50 V149 F151 F177 E223 M224 G225 T229 F230 L231	L50-L227 HydrophobicContact CD2-CD2 3.53Å; V149-L227 HydrophobicContact CB-CD1 4.48Å; V149-L227 HydrophobicContact CG1-CD1 4.01Å; V149-L227 HydrophobicContact CG2-CD1 3.64Å; F151-L227 HydrophobicContact CE2-CD2 4.35Å; F151-L227 HydrophobicContact CZ-CB 4.06Å; F151-L227 HydrophobicContact CZ-CD1 4.4Å; F151-L227 HydrophobicContact CZ-CD2 3.93Å; F151-L227 HydrophobicContact CZ-CG 4.34Å; F177-L227 HydrophobicContact CD1-CD1 4.21Å; F177-L227 HydrophobicContact CE1-CB 3.94Å; F177-L227 HydrophobicContact CE1-CD1 4.3Å; E223-L227 PolarHBondContact O-N 2.69Å; M224-L227 WeakPolarHBondContact O-CB 3.47Å; M224-L227 PolarHBondContact O-N 3.48Å; M224-L227 HydrophobicContact SD-CD2 4.43Å; G225-L227 VanDerWaalsContact C-N 3.34Å; L227-T229 PolarHBondContact O-N 3.27Å; L227-F230 HydrophobicContact CD1-CD1 4.43Å; L227-F230 WeakPolarHBondContact O-CB 3.38Å; L227-F230 PolarHBondContact O-N 2.84Å; L227-F230 VanDerWaalsContact O-N 3.17Å; L227-L231 HydrophobicContact CD1-CD1 4.02Å; L227-L231 HydrophobicContact CD1-CD2 4.29Å; L227-L231 HydrophobicContact CD1-CG 3.92Å; L227-L231 HydrophobicContact CG-CD1 4Å; L227-L231 HydrophobicContact CG-CG 4.31Å; L227-L231 WeakPolarHBondContact O-CG 3.34Å; L227-L231 PolarHBondContact O-N 2.92Å
228	R	98.2	Very high	96.1	Very high	115 Å²	115	58.7 Å²	58.7	43%	0.434	33%	0.334	S	S	.	.	H	α-helix	trans	-54.8	-44.1	176	179.5	-176.5	-72.7	-173.2	1.3	111.2	E52 Y53 M224 G225 L231 S232	E52-R228 PolarHBondContact O-NH2 3.18Å; Y53-R228 WeakPolarHBondContact O-CB 3.41Å; Y53-R228 WeakPolarHBondContact O-CG 3.42Å; Y53-R228 PolarHBondContact O-NE 3.18Å; M224-R228 PolarHBondContact O-N 3.29Å; G225-R228 WeakPolarHBondContact O-CB 3.3Å; G225-R228 PolarHBondContact O-N 3.14Å; R228-L231 PolarHBondContact O-N 3.2Å; R228-S232 WeakPolarHBondContact O-CB 3.45Å; R228-S232 PolarHBondContact O-N 3.5Å; R228-S232 PolarHBondContact O-OG 3.05Å
229	T	98.1	Very high	96	Very high	90 Å²	90	58.7 Å²	58.7	55%	0.552	33%	0.329	S	S	*	.	H	α-helix	trans	-63.5	-45.5	179.2	-58.2	0	0	0	0	110.8	G225 D226 L227 S232 K233	G225-T229 PolarHBondContact O-N 3.33Å; G225-T229 VanDerWaalsContact O-N 3.15Å; G225-T229 PolarHBondContact O-OG1 3.28Å; G225-T229 VanDerWaalsContact O-OG1 3.14Å; D226-T229 WeakPolarHBondContact O-CB 3.25Å; D226-T229 PolarHBondContact O-N 3.14Å; L227-T229 PolarHBondContact O-N 3.27Å; T229-S232 PolarHBondContact O-N 3.21Å; T229-K233 WeakPolarHBondContact O-CB 3.41Å; T229-K233 PolarHBondContact O-N 3.16Å
230	F	98.5	Very high	95.9	Very high	9 Å²	9	59.7 Å²	59.7	4%	0.039	33%	0.333	C	S	.	.	H	α-helix	trans	-57.5	-49.7	175.4	170.8	-100.1	0	0	0	112.6	V149 P175 F177 D226 L227 K233 N234	V149-F230 HydrophobicContact CG2-CD1 4.19Å; V149-F230 HydrophobicContact CG2-CE1 3.92Å; P175-F230 HydrophobicContact CB-CE2 3.87Å; P175-F230 HydrophobicContact CB-CZ 4.13Å; P175-F230 HydrophobicContact CG-CE2 4.27Å; P175-F230 HydrophobicContact CG-CZ 4.12Å; F177-F230 HydrophobicContact CB-CB 4.5Å; F177-F230 HydrophobicContact CB-CD1 3.85Å; F177-F230 HydrophobicContact CB-CD2 3.58Å; F177-F230 HydrophobicContact CB-CE1 3.88Å; F177-F230 HydrophobicContact CB-CE2 3.59Å; F177-F230 HydrophobicContact CB-CG 3.7Å; F177-F230 HydrophobicContact CB-CZ 3.74Å; F177-F230 HydrophobicContact CD1-CB 4.34Å; F177-F230 HydrophobicContact CD1-CD1 4.41Å; F177-F230 HydrophobicContact CD1-CG 4.3Å; F177-F230 HydrophobicContact CD2-CB 3.86Å; F177-F230 AromaticContact CD2-CD2 3.87Å; F177-F230 HydrophobicContact CD2-CD2 3.87Å; F177-F230 AromaticContact CD2-CG 3.91Å; F177-F230 HydrophobicContact CD2-CG 3.91Å; F177-F230 HydrophobicContact CE2-CB 4.07Å; F177-F230 HydrophobicContact CG-CB 4.01Å; F177-F230 HydrophobicContact CG-CD1 4.12Å; F177-F230 AromaticContact CG-CD2 3.91Å; F177-F230 HydrophobicContact CG-CD2 3.91Å; F177-F230 HydrophobicContact CG-CE2 4.41Å; F177-F230 AromaticContact CG-CG 3.74Å; F177-F230 HydrophobicContact CG-CG 3.74Å; F177-F230 HydrophobicContact CZ-CB 4.44Å; D226-F230 PolarHBondContact O-N 3.01Å; L227-F230 HydrophobicContact CD1-CD1 4.43Å; L227-F230 WeakPolarHBondContact O-CB 3.38Å; L227-F230 PolarHBondContact O-N 2.84Å; L227-F230 VanDerWaalsContact O-N 3.17Å; F230-K233 PolarHBondContact O-N 2.79Å; F230-N234 VanDerWaalsContact CD2-ND2 3.3Å; F230-N234 WeakPolarHBondContact CD2-ND2 3.46Å; F230-N234 VanDerWaalsContact CE2-ND2 3.34Å; F230-N234 WeakPolarHBondContact CE2-ND2 3.43Å; F230-N234 PolarHBondContact O-N 2.77Å; F230-N234 VanDerWaalsContact O-N 3.16Å; F230-N234 PolarHBondContact O-ND2 3.38Å
231	L	98.5	Very high	95.8	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-62.8	-47.8	-178.9	-66.2	175.5	0	0	0	111.2	V54 P55 F58 V123 L227 R228 K233 N234 I235	V54-L231 HydrophobicContact CB-CD1 4.4Å; V54-L231 HydrophobicContact CG1-CD1 4.44Å; V54-L231 HydrophobicContact CG2-CD1 3.86Å; P55-L231 HydrophobicContact CG-CB 4.11Å; F58-L231 HydrophobicContact CE1-CD2 4.02Å; F58-L231 HydrophobicContact CE2-CB 4.3Å; F58-L231 HydrophobicContact CZ-CB 4.03Å; F58-L231 HydrophobicContact CZ-CD2 4.08Å; F58-L231 HydrophobicContact CZ-CG 4.48Å; V123-L231 HydrophobicContact CB-CD2 4.29Å; V123-L231 HydrophobicContact CG1-CD2 4.11Å; V123-L231 HydrophobicContact CG2-CD2 3.77Å; L227-L231 HydrophobicContact CD1-CD1 4.02Å; L227-L231 HydrophobicContact CD1-CD2 4.29Å; L227-L231 HydrophobicContact CD1-CG 3.92Å; L227-L231 HydrophobicContact CG-CD1 4Å; L227-L231 HydrophobicContact CG-CG 4.31Å; L227-L231 WeakPolarHBondContact O-CG 3.34Å; L227-L231 PolarHBondContact O-N 2.92Å; R228-L231 PolarHBondContact O-N 3.2Å; L231-K233 VanDerWaalsContact C-N 3.32Å; L231-K233 PolarHBondContact O-N 3.38Å; L231-N234 PolarHBondContact O-N 3.04Å; L231-I235 PolarHBondContact O-N 3.28Å
232	S	97.4	Very high	95.7	Very high	53 Å²	53	55.5 Å²	55.5	37%	0.371	31%	0.314	S	S	.	.	H	α-helix	trans	-65.5	-35.7	-178.4	-51.9	0	0	0	0	112.5	P55 R228 T229	P55-S232 WeakPolarHBondContact CG-OG 3.49Å; R228-S232 WeakPolarHBondContact O-CB 3.45Å; R228-S232 PolarHBondContact O-N 3.5Å; R228-S232 PolarHBondContact O-OG 3.05Å; T229-S232 PolarHBondContact O-N 3.21Å
233	K	96.9	Very high	95.6	Very high	139 Å²	139	50.8 Å²	50.8	60%	0.604	30%	0.298	S	S	*	.	H	α-helix	trans	-68.3	-44	179	174.7	-175.1	170.9	-170.4	0	112.4	E208 T229 F230 L231	E208-K233 IonicContact OE1-NZ 2.73Å; T229-K233 WeakPolarHBondContact O-CB 3.41Å; T229-K233 PolarHBondContact O-N 3.16Å; F230-K233 PolarHBondContact O-N 2.79Å; L231-K233 VanDerWaalsContact C-N 3.32Å; L231-K233 PolarHBondContact O-N 3.38Å
234	N	97	Very high	95.4	Very high	47 Å²	47	54.2 Å²	54.2	25%	0.251	32%	0.318	S	S	.	.	H	α-helix	trans	-91.6	-23.3	-172	-67.7	-77.1	0	0	0	113	P175 F230 L231	P175-N234 HydrophobicContact CG-CB 4.15Å; F230-N234 VanDerWaalsContact CD2-ND2 3.3Å; F230-N234 WeakPolarHBondContact CD2-ND2 3.46Å; F230-N234 VanDerWaalsContact CE2-ND2 3.34Å; F230-N234 WeakPolarHBondContact CE2-ND2 3.43Å; F230-N234 PolarHBondContact O-N 2.77Å; F230-N234 VanDerWaalsContact O-N 3.16Å; F230-N234 PolarHBondContact O-ND2 3.38Å; L231-N234 PolarHBondContact O-N 3.04Å
235	I	96.7	Very high	95.2	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	34%	0.34	C	S	.	.	S	Bend	trans	-134.5	79.9	-174	-51.3	171.6	0	0	0	108.4	A31 Y57 F58 N121 V123 L231	A31-I235 HydrophobicContact CB-CG2 3.8Å; Y57-I235 VanDerWaalsContact CE2-O 3.25Å; Y57-I235 WeakPolarHBondContact CE2-O 3.29Å; Y57-I235 PolarHBondContact OH-O 3.42Å; F58-I235 HydrophobicContact CE1-CD1 4.18Å; F58-I235 HydrophobicContact CE2-CB 4.38Å; F58-I235 HydrophobicContact CE2-CG2 4.36Å; F58-I235 HydrophobicContact CZ-CB 3.89Å; F58-I235 HydrophobicContact CZ-CD1 3.81Å; F58-I235 HydrophobicContact CZ-CG1 4.43Å; F58-I235 HydrophobicContact CZ-CG2 3.99Å; N121-I235 HydrophobicContact CB-CG2 4.06Å; V123-I235 HydrophobicContact CG2-CD1 3.05Å; V123-I235 HydrophobicContact CG2-CG1 4.49Å; L231-I235 PolarHBondContact O-N 3.28Å
236	P	89.5	Confident	94.9	Very high	87 Å²	87	60.3 Å²	60.3	57%	0.565	35%	0.346	S	S	*	.			trans	-65.6	154.9	177.7	28.1	-34.3	0	0	0	111.3
237	A	86.1	Confident	94.6	Very high	62 Å²	62	61.8 Å²	61.8	51%	0.512	36%	0.356	S	S	.	.			trans	-58.2	141.2	172	0	0	0	0	0	110.7	Y57	Y57-A237 HydrophobicContact CD1-CB 3.67Å; Y57-A237 HydrophobicContact CD2-CB 4.43Å; Y57-A237 HydrophobicContact CE1-CB 3.72Å; Y57-A237 HydrophobicContact CE2-CB 4.43Å; Y57-A237 HydrophobicContact CG-CB 4.04Å
238	C	80.2	Confident	94.3	Very high	138 Å²	138	67.4 Å²	67.4	93%	0.932	39%	0.388	S	S	*	.			trans	-88.4	0	173.8	-61.3	0	0	0	0	112.3

Retrieved 238 of 238 residues in 59.1 ms (Link to these results)

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